| 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 | 32 | Very low | 71.4 | Confident | 235 Ų | 235 | 91.5 Ų | 91.5 | 100% | 1.158 | 50% | 0.504 | S | S | * | . | 0 | 125.2 | 0 | -89.3 | 178.1 | -145.3 | 0 | 0 | 108 | T3 | M1-T3 PolarHBondContact O-N 3.2Š| |||
| 2 | F | 32.4 | Very low | 72.8 | Confident | 219 Ų | 219 | 93.1 Ų | 93.1 | 96% | 0.961 | 50% | 0.504 | S | S | * | . | trans | -66.1 | 101.2 | 166.6 | -69.4 | -84.4 | 0 | 0 | 0 | 107 | S4 | F2-S4 PolarHBondContact O-N 2.78Å; F2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | T | 53.3 | Low | 74 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -60.1 | 111.8 | 174.2 | 40.5 | 0 | 0 | 0 | 0 | 107.9 | M1 V5 | M1-T3 PolarHBondContact O-N 3.2Å; T3-V5 PolarHBondContact O-N 3.07Å; T3-V5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | S | 68.5 | Low | 74.9 | Confident | 98 Ų | 98 | 86.4 Ų | 86.4 | 69% | 0.685 | 48% | 0.475 | S | S | * | . | trans | -62.7 | 113.6 | 172.5 | 55.8 | 0 | 0 | 0 | 0 | 108.3 | F2 | F2-S4 PolarHBondContact O-N 2.78Å; F2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 5 | V | 82.6 | Confident | 75.8 | Confident | 57 Ų | 57 | 84.4 Ų | 84.4 | 35% | 0.345 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 128.1 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | T3 R124 W131 D133 | T3-V5 PolarHBondContact O-N 3.07Å; T3-V5 VanDerWaalsContact O-N 3.11Å; V5-R124 HydrophobicContact CG1-CG 4.37Å; V5-W131 CarbonylContact C-O 3.59Å; V5-W131 WeakPolarHBondContact CA-O 3.4Å; V5-W131 HydrophobicContact CG1-CB 4.3Å; V5-W131 HydrophobicContact CG2-CB 4.25Å; V5-D133 HydrophobicContact CG1-CB 3.7Å |
| 6 | K | 88.2 | Confident | 76.5 | Confident | 122 Ų | 122 | 81.1 Ų | 81.1 | 53% | 0.53 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.7 | -178.7 | -173.6 | 177 | -175.2 | 173.6 | 0 | 110.2 | F8 E130 W131 V132 D133 | K6-F8 PolarHBondContact O-N 2.99Å; K6-E130 IonicContact NZ-OE2 3.53Å; K6-W131 PolarHBondContact N-O 2.71Å; K6-V132 CarbonylContact O-C 3.56Å; K6-V132 VanDerWaalsContact O-CA 3.27Å; K6-V132 WeakPolarHBondContact O-CA 3.27Å; K6-D133 PolarHBondContact O-N 3.33Å |
| 7 | A | 87.9 | Confident | 77.1 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | E9 G10 Q11 Q12 | A7-E9 PolarHBondContact O-N 3.31Å; A7-G10 PolarHBondContact O-N 3.12Å; A7-Q11 WeakPolarHBondContact CB-O 3.49Å; A7-Q12 HydrophobicContact CB-CG 4.33Å |
| 8 | F | 86.2 | Confident | 77.7 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -63.4 | 120.4 | 172.9 | -173 | -102.2 | 0 | 0 | 0 | 109.4 | K6 G10 Q11 V132 D133 V134 K169 V170 R412 | K6-F8 PolarHBondContact O-N 2.99Å; F8-G10 PolarHBondContact O-N 3.07Å; F8-Q11 PolarHBondContact O-N 2.88Å; F8-V132 HydrophobicContact CB-CG1 3.79Å; F8-V132 HydrophobicContact CD2-CG1 3.87Å; F8-V132 HydrophobicContact CG-CG1 4.33Å; F8-D133 WeakPolarHBondContact CB-O 3.49Å; F8-D133 PolarHBondContact N-O 2.8Å; F8-V134 HydrophobicContact CB-CB 4.47Å; F8-V134 HydrophobicContact CB-CG2 4Å; F8-V134 HydrophobicContact CD2-CG2 4.32Å; F8-V134 HydrophobicContact CG-CG2 4.16Å; F8-K169 HydrophobicContact CE1-CD 4.43Å; F8-K169 HydrophobicContact CE1-CG 4.06Å; F8-V170 HydrophobicContact CE2-CG2 4.37Å; F8-R412 VanDerWaalsContact CE2-NH2 3.29Å |
| 9 | E | 83.5 | Confident | 78.3 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 29% | 0.29 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | 53.5 | 23.9 | -179.6 | -56.7 | -166.9 | 154.9 | 0 | 0 | 115 | A7 Q11 R31 R412 | A7-E9 PolarHBondContact O-N 3.31Å; E9-Q11 VanDerWaalsContact C-N 3.32Å; E9-R31 IonicContact OE1-NH1 2.59Å; E9-R31 WeakPolarHBondContact OE2-CD 3.47Å; E9-R31 VanDerWaalsContact OE2-CG 3.28Å; E9-R31 WeakPolarHBondContact OE2-CG 3.5Å; E9-R31 IonicContact OE2-CZ 3.36Å; E9-R31 IonicContact OE2-NE 3.4Å; E9-R31 IonicContact OE2-NH1 3.68Å; E9-R31 PolarHBondContact OE2-NH1 3.31Å; E9-R412 IonicContact OE1-CZ 3.78Å; E9-R412 VanDerWaalsContact OE1-CZ 3.31Å; E9-R412 IonicContact OE1-NH1 2.64Å; E9-R412 PolarHBondContact OE1-NH1 2.8Å; E9-R412 IonicContact OE1-NH2 3.58Å; E9-R412 PolarHBondContact OE1-NH2 2.76Å |
| 10 | G | 84.3 | Confident | 78.8 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 62% | 0.619 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | 78.4 | 6.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A7 F8 Q12 | A7-G10 PolarHBondContact O-N 3.12Å; F8-G10 PolarHBondContact O-N 3.07Å; G10-Q12 PolarHBondContact O-N 2.95Å |
| 11 | Q | 86.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | trans | -76.3 | 116 | 175.6 | -69.3 | 177.3 | -48.4 | 0 | 0 | 110.4 | A7 F8 E9 L16 D29 V135 | A7-Q11 WeakPolarHBondContact CB-O 3.49Å; F8-Q11 PolarHBondContact O-N 2.88Å; E9-Q11 VanDerWaalsContact C-N 3.32Å; Q11-L16 HydrophobicContact CB-CD1 3.94Å; Q11-L16 HydrophobicContact CG-CD1 4.29Å; Q11-D29 PolarHBondContact NE2-OD1 2.89Å; Q11-D29 VanDerWaalsContact NE2-OD1 3.12Å; Q11-V135 HydrophobicContact CB-CB 4.34Å; Q11-V135 HydrophobicContact CB-CG2 4.2Å | ||
| 12 | Q | 88.9 | Confident | 81.8 | Confident | 110 Ų | 110 | 77.2 Ų | 77.2 | 51% | 0.514 | 40% | 0.404 | S | S | . | . | trans | -102.1 | 117.6 | 175.9 | -68.3 | -178 | -1.4 | 0 | 0 | 110.5 | A7 G10 S14 T15 L16 | A7-Q12 HydrophobicContact CB-CG 4.33Å; G10-Q12 PolarHBondContact O-N 2.95Å; Q12-S14 PolarHBondContact O-N 2.83Å; Q12-T15 PolarHBondContact O-N 3.21Å; Q12-T15 PolarHBondContact OE1-OG1 3.08Å; Q12-L16 WeakPolarHBondContact O-CG 3.19Å; Q12-L16 PolarHBondContact O-N 3.36Å | ||
| 13 | Y | 87.6 | Confident | 84.4 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 6% | 0.059 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -52.7 | -54.2 | -177.2 | 170.9 | -110.6 | 0 | 0 | 0 | 113.2 | T15 L16 K17 I120 H122 | Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 3.15Å; Y13-L16 PolarHBondContact O-N 2.69Å; Y13-K17 HydrophobicContact CE1-CD 4.2Å; Y13-K17 HydrophobicContact CE2-CB 4.46Å; Y13-K17 HydrophobicContact CE2-CD 4.08Å; Y13-K17 WeakPolarHBondContact O-CB 3.36Å; Y13-K17 PolarHBondContact O-N 3.02Å; Y13-K17 WeakPolarHBondContact OH-CD 3.48Å; Y13-K17 PolarHBondContact OH-NZ 2.82Å; Y13-K17 VanDerWaalsContact OH-NZ 3.07Å; Y13-I120 HydrophobicContact CD2-CD1 4.14Å; Y13-I120 HydrophobicContact CD2-CG1 4.03Å; Y13-I120 HydrophobicContact CE2-CG1 4.14Å; Y13-I120 HydrophobicContact CE2-CG2 4.11Å; Y13-H122 AromaticContact CD1-CD2 3.53Å; Y13-H122 AromaticContact CD1-CE1 3.85Å; Y13-H122 AromaticContact CD1-CG 3.97Å; Y13-H122 AromaticContact CD1-NE2 3.46Å; Y13-H122 WeakPolarHBondContact CD1-NE2 3.47Å; Y13-H122 HydrophobicContact CD2-CB 3.9Å; Y13-H122 AromaticContact CD2-CD2 3.7Å; Y13-H122 AromaticContact CD2-CG 3.87Å; Y13-H122 AromaticContact CE1-CD2 3.63Å; Y13-H122 AromaticContact CE1-NE2 3.55Å; Y13-H122 AromaticContact CE2-CD2 3.81Å; Y13-H122 HydrophobicContact CG-CB 4.01Å; Y13-H122 AromaticContact CG-CD2 3.56Å; Y13-H122 AromaticContact CG-CG 3.62Å; Y13-H122 AromaticContact CG-NE2 3.95Å; Y13-H122 AromaticContact CZ-CD2 3.76Å |
| 14 | S | 86.5 | Confident | 85.8 | Confident | 77 Ų | 77 | 69 Ų | 69 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -33.7 | -175.3 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | Q12 R18 | Q12-S14 PolarHBondContact O-N 2.83Å; S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 PolarHBondContact O-N 2.72Å |
| 15 | T | 88.3 | Confident | 86.7 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.7 | -46.1 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | Q12 Y13 Q19 | Q12-T15 PolarHBondContact O-N 3.21Å; Q12-T15 PolarHBondContact OE1-OG1 3.08Å; Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 3.15Å; T15-Q19 WeakPolarHBondContact O-CB 3.34Å; T15-Q19 PolarHBondContact O-N 2.64Å; T15-Q19 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 87.9 | Confident | 87 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 178 | -70 | 171.3 | 0 | 0 | 0 | 111 | Q11 Q12 Y13 R18 Q19 Y20 F27 I120 V135 | Q11-L16 HydrophobicContact CB-CD1 3.94Å; Q11-L16 HydrophobicContact CG-CD1 4.29Å; Q12-L16 WeakPolarHBondContact O-CG 3.19Å; Q12-L16 PolarHBondContact O-N 3.36Å; Y13-L16 PolarHBondContact O-N 2.69Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.11Å; L16-Q19 WeakPolarHBondContact O-CB 3.31Å; L16-Q19 PolarHBondContact O-N 3.22Å; L16-Y20 HydrophobicContact CD2-CE2 4.37Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.38Å; L16-Y20 PolarHBondContact O-N 3.41Å; L16-F27 HydrophobicContact CD1-CE2 4.29Å; L16-F27 HydrophobicContact CD1-CZ 4.31Å; L16-I120 HydrophobicContact CB-CD1 3.63Å; L16-V135 HydrophobicContact CD1-CG1 4.24Å |
| 17 | K | 86.8 | Confident | 87.1 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53 | -50.2 | 178.6 | -178.6 | 168 | -177.4 | 174.5 | 0 | 111.4 | Y13 Q19 Y20 L21 E106 S116 I120 | Y13-K17 HydrophobicContact CE1-CD 4.2Å; Y13-K17 HydrophobicContact CE2-CB 4.46Å; Y13-K17 HydrophobicContact CE2-CD 4.08Å; Y13-K17 WeakPolarHBondContact O-CB 3.36Å; Y13-K17 PolarHBondContact O-N 3.02Å; Y13-K17 WeakPolarHBondContact OH-CD 3.48Å; Y13-K17 PolarHBondContact OH-NZ 2.82Å; Y13-K17 VanDerWaalsContact OH-NZ 3.07Å; K17-Q19 VanDerWaalsContact C-N 3.35Å; K17-Q19 PolarHBondContact O-N 2.85Å; K17-Y20 PolarHBondContact O-N 3.37Å; K17-L21 HydrophobicContact CG-CD1 3.72Å; K17-L21 HydrophobicContact CG-CG 4.23Å; K17-L21 WeakPolarHBondContact O-CB 3.36Å; K17-L21 WeakPolarHBondContact O-CG 3.39Å; K17-L21 PolarHBondContact O-N 3.43Å; K17-E106 PolarHBondContact NZ-O 3.27Å; K17-S116 WeakPolarHBondContact CE-O 3.19Å; K17-I120 HydrophobicContact CB-CG2 3.98Å; K17-I120 HydrophobicContact CD-CG2 4.34Å; K17-I120 HydrophobicContact CG-CG2 4.03Å |
| 18 | R | 87.4 | Confident | 87.2 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.7 | 176.3 | 171.1 | 39.2 | 165.4 | -4.5 | 113.3 | S14 L16 Q22 | S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 PolarHBondContact O-N 2.72Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.11Å; R18-Q22 WeakPolarHBondContact O-CB 3.12Å; R18-Q22 VanDerWaalsContact O-CG 3.25Å; R18-Q22 WeakPolarHBondContact O-CG 3.46Å; R18-Q22 PolarHBondContact O-N 3.33Å |
| 19 | Q | 89.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 178 | -178.9 | -179.2 | -10.4 | 0 | 0 | 111.5 | T15 L16 K17 Q22 S23 | T15-Q19 WeakPolarHBondContact O-CB 3.34Å; T15-Q19 PolarHBondContact O-N 2.64Å; T15-Q19 VanDerWaalsContact O-N 3.09Å; L16-Q19 WeakPolarHBondContact O-CB 3.31Å; L16-Q19 PolarHBondContact O-N 3.22Å; K17-Q19 VanDerWaalsContact C-N 3.35Å; K17-Q19 PolarHBondContact O-N 2.85Å; Q19-Q22 PolarHBondContact O-N 2.81Å; Q19-S23 PolarHBondContact O-N 3.1Å; Q19-S23 VanDerWaalsContact O-N 3.1Å; Q19-S23 PolarHBondContact O-OG 3.35Å |
| 20 | Y | 87.8 | Confident | 87.5 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 21% | 0.208 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.3 | -40.5 | -179 | -81.1 | -83.8 | 0 | 0 | 0 | 112 | L16 K17 Q22 S23 G24 L25 F27 | L16-Y20 HydrophobicContact CD2-CE2 4.37Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.38Å; L16-Y20 PolarHBondContact O-N 3.41Å; K17-Y20 PolarHBondContact O-N 3.37Å; Y20-Q22 VanDerWaalsContact C-N 3.31Å; Y20-Q22 PolarHBondContact O-N 3.36Å; Y20-S23 WeakPolarHBondContact CA-OG 3.39Å; Y20-S23 PolarHBondContact O-N 3.07Å; Y20-S23 VanDerWaalsContact O-N 3.07Å; Y20-S23 PolarHBondContact O-OG 3.05Å; Y20-G24 PolarHBondContact O-N 2.97Å; Y20-L25 HydrophobicContact CD1-CB 4.21Å; Y20-L25 WeakPolarHBondContact CD1-O 3.41Å; Y20-L25 PolarHBondContact O-N 3.5Å; Y20-F27 HydrophobicContact CD2-CB 4.46Å; Y20-F27 AromaticContact CD2-CD2 3.82Å; Y20-F27 HydrophobicContact CD2-CD2 3.82Å; Y20-F27 HydrophobicContact CE1-CD2 4.36Å; Y20-F27 AromaticContact CE2-CD2 3.4Å; Y20-F27 HydrophobicContact CE2-CD2 3.4Å; Y20-F27 VanDerWaalsContact CE2-CD2 3.4Å; Y20-F27 AromaticContact CE2-CE2 3.96Å; Y20-F27 HydrophobicContact CE2-CE2 3.96Å; Y20-F27 HydrophobicContact CE2-CG 4.49Å; Y20-F27 HydrophobicContact CG-CB 4.39Å; Y20-F27 HydrophobicContact CG-CD2 4.49Å; Y20-F27 AromaticContact CZ-CD2 3.69Å |
| 21 | L | 87.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 171.3 | -70 | 173.1 | 0 | 0 | 0 | 112.6 | K17 S23 D115 A118 | K17-L21 HydrophobicContact CG-CD1 3.72Å; K17-L21 HydrophobicContact CG-CG 4.23Å; K17-L21 WeakPolarHBondContact O-CB 3.36Å; K17-L21 WeakPolarHBondContact O-CG 3.39Å; K17-L21 PolarHBondContact O-N 3.43Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-S23 PolarHBondContact O-N 3.49Å; L21-D115 WeakPolarHBondContact CD2-O 3.29Å; L21-A118 HydrophobicContact CD2-CB 3.89Å; L21-A118 HydrophobicContact CG-CB 4.07Å |
| 22 | Q | 87.8 | Confident | 87.7 | Confident | 157 Ų | 157 | 72.6 Ų | 72.6 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.5 | -31.4 | 176.3 | -75.7 | 174.9 | -1.1 | 0 | 0 | 113.2 | R18 Q19 Y20 | R18-Q22 WeakPolarHBondContact O-CB 3.12Å; R18-Q22 VanDerWaalsContact O-CG 3.25Å; R18-Q22 WeakPolarHBondContact O-CG 3.46Å; R18-Q22 PolarHBondContact O-N 3.33Å; Q19-Q22 PolarHBondContact O-N 2.81Å; Y20-Q22 VanDerWaalsContact C-N 3.31Å; Y20-Q22 PolarHBondContact O-N 3.36Å |
| 23 | S | 86.1 | Confident | 87.6 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -84.3 | -16.3 | -179.7 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | Q19 Y20 L21 L25 | Q19-S23 PolarHBondContact O-N 3.1Å; Q19-S23 VanDerWaalsContact O-N 3.1Å; Q19-S23 PolarHBondContact O-OG 3.35Å; Y20-S23 WeakPolarHBondContact CA-OG 3.39Å; Y20-S23 PolarHBondContact O-N 3.07Å; Y20-S23 VanDerWaalsContact O-N 3.07Å; Y20-S23 PolarHBondContact O-OG 3.05Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-S23 PolarHBondContact O-N 3.49Å; S23-L25 PolarHBondContact O-N 2.75Å; S23-L25 PolarHBondContact OG-N 3.36Å |
| 24 | G | 82.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 73% | 0.732 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 14.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y20 | Y20-G24 PolarHBondContact O-N 2.97Š|
| 25 | L | 87.9 | Confident | 87.7 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 149.6 | 177.2 | -63.4 | 173.4 | 0 | 0 | 0 | 110.3 | Y20 S23 | Y20-L25 HydrophobicContact CD1-CB 4.21Å; Y20-L25 WeakPolarHBondContact CD1-O 3.41Å; Y20-L25 PolarHBondContact O-N 3.5Å; S23-L25 PolarHBondContact O-N 2.75Å; S23-L25 PolarHBondContact OG-N 3.36Å |
| 26 | L | 88.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -80 | 144.5 | 172 | -61.6 | 178.3 | 0 | 0 | 0 | 110.6 | E28 Y117 | L26-E28 PolarHBondContact O-N 3.08Å; L26-Y117 HydrophobicContact CD2-CD1 3.96Å; L26-Y117 HydrophobicContact CD2-CE1 3.54Å |
| 27 | F | 90.3 | Very high | 87.1 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.009 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 132.5 | 177.9 | -178.2 | -121.2 | 0 | 0 | 0 | 110.7 | L16 Y20 D29 R53 A118 I120 V135 D137 | L16-F27 HydrophobicContact CD1-CE2 4.29Å; L16-F27 HydrophobicContact CD1-CZ 4.31Å; Y20-F27 HydrophobicContact CD2-CB 4.46Å; Y20-F27 AromaticContact CD2-CD2 3.82Å; Y20-F27 HydrophobicContact CD2-CD2 3.82Å; Y20-F27 HydrophobicContact CE1-CD2 4.36Å; Y20-F27 AromaticContact CE2-CD2 3.4Å; Y20-F27 HydrophobicContact CE2-CD2 3.4Å; Y20-F27 VanDerWaalsContact CE2-CD2 3.4Å; Y20-F27 AromaticContact CE2-CE2 3.96Å; Y20-F27 HydrophobicContact CE2-CE2 3.96Å; Y20-F27 HydrophobicContact CE2-CG 4.49Å; Y20-F27 HydrophobicContact CG-CB 4.39Å; Y20-F27 HydrophobicContact CG-CD2 4.49Å; Y20-F27 AromaticContact CZ-CD2 3.69Å; F27-D29 HydrophobicContact CE1-CB 3.94Å; F27-D29 HydrophobicContact CZ-CB 4.19Å; F27-R53 PolarHBondContact O-NH1 2.49Å; F27-R53 PolarHBondContact O-NH2 2.63Å; F27-A118 WeakPolarHBondContact CB-O 3.49Å; F27-A118 PolarHBondContact N-O 3.26Å; F27-I120 HydrophobicContact CB-CB 3.83Å; F27-I120 HydrophobicContact CB-CG1 4.41Å; F27-I120 HydrophobicContact CD1-CB 3.92Å; F27-I120 HydrophobicContact CD1-CD1 4.02Å; F27-I120 HydrophobicContact CD1-CG1 3.68Å; F27-I120 HydrophobicContact CD2-CD1 4.38Å; F27-I120 HydrophobicContact CE1-CD1 4.32Å; F27-I120 HydrophobicContact CE1-CG1 4.15Å; F27-I120 HydrophobicContact CG-CB 4.06Å; F27-I120 HydrophobicContact CG-CD1 4.06Å; F27-I120 HydrophobicContact CG-CG1 4.08Å; F27-V135 HydrophobicContact CE1-CG1 3.96Å; F27-V135 HydrophobicContact CZ-CG1 4.27Å; F27-D137 HydrophobicContact CD1-CB 3.73Å; F27-D137 HydrophobicContact CE1-CB 4.31Å; F27-D137 WeakPolarHBondContact O-CB 3.44Å |
| 28 | E | 90.3 | Very high | 87 | Confident | 118 Ų | 118 | 74 Ų | 74 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -120.9 | 122 | 167.9 | -64.8 | -170.8 | -171.4 | 0 | 0 | 107.7 | L26 P30 R139 | L26-E28 PolarHBondContact O-N 3.08Å; E28-P30 WeakPolarHBondContact O-CD 3.28Å; E28-R139 IonicContact OE2-NH1 3.54Å | ||
| 29 | D | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.011 | 37% | 0.368 | C | S | . | . | trans | -75.6 | 112.3 | -174.7 | -169.4 | -4.5 | 0 | 0 | 0 | 111.3 | Q11 F27 R31 F32 D137 K169 | Q11-D29 PolarHBondContact NE2-OD1 2.89Å; Q11-D29 VanDerWaalsContact NE2-OD1 3.12Å; F27-D29 HydrophobicContact CE1-CB 3.94Å; F27-D29 HydrophobicContact CZ-CB 4.19Å; D29-R31 PolarHBondContact O-N 2.96Å; D29-R31 PolarHBondContact OD1-N 2.89Å; D29-F32 CarbonylContact O-C 3.5Å; D29-D137 HydrophobicContact CB-CB 4.4Å; D29-D137 VanDerWaalsContact CB-OD2 3.27Å; D29-D137 WeakPolarHBondContact CB-OD2 3.49Å; D29-D137 PolarHBondContact N-OD2 2.94Å; D29-K169 VanDerWaalsContact CG-NZ 3.32Å; D29-K169 IonicContact OD1-NZ 2.82Å; D29-K169 PolarHBondContact OD1-NZ 2.95Å; D29-K169 WeakPolarHBondContact OD2-CD 3.22Å; D29-K169 WeakPolarHBondContact OD2-CE 3.27Å; D29-K169 IonicContact OD2-NZ 3.39Å; D29-K169 PolarHBondContact OD2-NZ 3.5Å | ||
| 30 | P | 87.1 | Confident | 86.3 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.6 | 179.1 | 32 | -36.3 | 0 | 0 | 0 | 112.6 | E28 | E28-P30 WeakPolarHBondContact O-CD 3.28Š|
| 31 | R | 86 | Confident | 85.6 | Confident | 134 Ų | 134 | 62.2 Ų | 62.2 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -13.5 | -178.9 | -63.1 | -56.8 | -169.8 | 114.6 | -0.9 | 113 | E9 D29 | E9-R31 IonicContact OE1-NH1 2.59Å; E9-R31 WeakPolarHBondContact OE2-CD 3.47Å; E9-R31 VanDerWaalsContact OE2-CG 3.28Å; E9-R31 WeakPolarHBondContact OE2-CG 3.5Å; E9-R31 IonicContact OE2-CZ 3.36Å; E9-R31 IonicContact OE2-NE 3.4Å; E9-R31 IonicContact OE2-NH1 3.68Å; E9-R31 PolarHBondContact OE2-NH1 3.31Å; D29-R31 PolarHBondContact O-N 2.96Å; D29-R31 PolarHBondContact OD1-N 2.89Å |
| 32 | F | 87.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 2% | 0.022 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -143.1 | 73.3 | 176.5 | -162.1 | -104.6 | 0 | 0 | 0 | 109.1 | D29 S38 W51 K165 A168 K169 G172 Y174 | D29-F32 CarbonylContact O-C 3.5Å; F32-S38 WeakPolarHBondContact CZ-O 3.49Å; F32-W51 HydrophobicContact CE1-CH2 4.1Å; F32-K165 HydrophobicContact CD1-CG 4.42Å; F32-K165 HydrophobicContact CE1-CG 4.07Å; F32-A168 HydrophobicContact CZ-CB 4.14Å; F32-K169 HydrophobicContact CB-CB 4.3Å; F32-K169 HydrophobicContact CB-CD 3.8Å; F32-K169 HydrophobicContact CB-CG 3.93Å; F32-K169 HydrophobicContact CD1-CB 4.45Å; F32-K169 HydrophobicContact CD2-CB 3.79Å; F32-K169 HydrophobicContact CD2-CG 4Å; F32-K169 HydrophobicContact CE2-CB 4.16Å; F32-K169 HydrophobicContact CG-CB 3.93Å; F32-K169 HydrophobicContact CG-CD 4.35Å; F32-K169 HydrophobicContact CG-CG 4.08Å; F32-G172 WeakPolarHBondContact CE2-O 3.41Å; F32-Y174 HydrophobicContact CE1-CD2 4.45Å; F32-Y174 AromaticContact CE1-CE2 3.99Å; F32-Y174 HydrophobicContact CE1-CE2 3.99Å; F32-Y174 HydrophobicContact CZ-CD2 4.05Å; F32-Y174 HydrophobicContact CZ-CE2 4.03Å |
| 33 | P | 88.2 | Confident | 83.5 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | trans | -65.5 | 152.3 | -173.3 | 27.1 | -34.6 | 0 | 0 | 0 | 111.7 | T35 S38 | P33-T35 HydrophobicContact CB-CG2 4.25Å; P33-T35 WeakPolarHBondContact CG-OG1 3.25Å; P33-T35 PolarHBondContact O-N 3.13Å; P33-S38 VanDerWaalsContact O-CB 3.27Å; P33-S38 WeakPolarHBondContact O-CB 3.2Å; P33-S38 PolarHBondContact O-OG 3.27Å | ||
| 34 | A | 88.3 | Confident | 82.7 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -75.2 | 60.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W51 | A34-W51 HydrophobicContact CB-CB 3.86Å; A34-W51 HydrophobicContact CB-CD2 3.63Å; A34-W51 HydrophobicContact CB-CE3 4.04Å; A34-W51 HydrophobicContact CB-CG 3.56Å |
| 35 | T | 86.3 | Confident | 81.9 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -132 | 164.1 | -176.4 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | P33 D37 S38 | P33-T35 HydrophobicContact CB-CG2 4.25Å; P33-T35 WeakPolarHBondContact CG-OG1 3.25Å; P33-T35 PolarHBondContact O-N 3.13Å; T35-D37 PolarHBondContact O-N 2.73Å; T35-D37 VanDerWaalsContact O-N 3.15Å; T35-S38 WeakPolarHBondContact O-CB 3.45Å; T35-S38 PolarHBondContact O-N 2.61Å |
| 36 | D | 82.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -29.1 | 179.6 | -73.6 | 14.8 | 0 | 0 | 0 | 113 | S38 L39 F40 N44 | D36-S38 PolarHBondContact O-N 3.01Å; D36-L39 WeakPolarHBondContact O-CB 3.48Å; D36-L39 PolarHBondContact O-N 2.91Å; D36-F40 PolarHBondContact O-N 2.69Å; D36-N44 PolarHBondContact OD2-ND2 3.2Å |
| 37 | D | 82.2 | Confident | 80 | Confident | 131 Ų | 131 | 59.7 Ų | 59.7 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.8 | -28.4 | 175.5 | -66.5 | -15.6 | 0 | 0 | 0 | 113.6 | T35 L39 | T35-D37 PolarHBondContact O-N 2.73Å; T35-D37 VanDerWaalsContact O-N 3.15Å; D37-L39 VanDerWaalsContact C-N 3.34Å |
| 38 | S | 84.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -82.4 | -17.4 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | F32 P33 T35 D36 C173 Y174 | F32-S38 WeakPolarHBondContact CZ-O 3.49Å; P33-S38 VanDerWaalsContact O-CB 3.27Å; P33-S38 WeakPolarHBondContact O-CB 3.2Å; P33-S38 PolarHBondContact O-OG 3.27Å; T35-S38 WeakPolarHBondContact O-CB 3.45Å; T35-S38 PolarHBondContact O-N 2.61Å; D36-S38 PolarHBondContact O-N 3.01Å; S38-C173 CarbonylContact O-C 3.53Å; S38-C173 VanDerWaalsContact O-CA 3.22Å; S38-C173 WeakPolarHBondContact O-CA 3.16Å; S38-C173 WeakPolarHBondContact O-CB 3.06Å; S38-Y174 PolarHBondContact O-N 2.59Å |
| 39 | L | 82 | Confident | 79.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -93.5 | -47.7 | 179 | -60.4 | 172.7 | 0 | 0 | 0 | 111 | D36 D37 V49 W51 P141 Y149 Y174 E175 | D36-L39 WeakPolarHBondContact O-CB 3.48Å; D36-L39 PolarHBondContact O-N 2.91Å; D37-L39 VanDerWaalsContact C-N 3.34Å; L39-V49 HydrophobicContact CD1-CB 3.92Å; L39-V49 HydrophobicContact CD1-CG1 3.75Å; L39-V49 HydrophobicContact CD1-CG2 4.04Å; L39-W51 HydrophobicContact CD1-CZ2 4.26Å; L39-W51 HydrophobicContact CD2-CH2 4.12Å; L39-W51 HydrophobicContact CD2-CZ2 3.64Å; L39-W51 HydrophobicContact CG-CZ2 3.79Å; L39-P141 HydrophobicContact CD2-CB 3.8Å; L39-P141 HydrophobicContact CD2-CG 4.03Å; L39-Y149 HydrophobicContact CD2-CE2 3.72Å; L39-Y174 HydrophobicContact CD2-CD2 3.87Å; L39-Y174 HydrophobicContact CD2-CE2 4.32Å; L39-E175 WeakPolarHBondContact O-CB 3.28Å; L39-E175 PolarHBondContact O-N 2.75Å |
| 40 | F | 80.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | trans | -130.3 | 145 | -167.8 | -49.1 | -71.7 | 0 | 0 | 0 | 112 | D36 N44 I46 E175 | D36-F40 PolarHBondContact O-N 2.69Å; F40-N44 HydrophobicContact CD2-CB 4Å; F40-N44 HydrophobicContact CE2-CB 4.02Å; F40-N44 WeakPolarHBondContact CE2-OD1 3.15Å; F40-I46 HydrophobicContact CE1-CD1 3.72Å; F40-I46 HydrophobicContact CE1-CG1 3.81Å; F40-I46 HydrophobicContact CZ-CB 3.93Å; F40-I46 HydrophobicContact CZ-CD1 3.66Å; F40-I46 HydrophobicContact CZ-CG1 3.64Å; F40-E175 WeakPolarHBondContact CA-OE2 3.5Å | ||
| 41 | H | 72.2 | Confident | 79.4 | Confident | 40 Ų | 40 | 66 Ų | 66 | 19% | 0.185 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -109 | -19.4 | 166.7 | 72.6 | 87.1 | 0 | 0 | 0 | 112.6 | E175 | H41-E175 IonicContact CD2-OE2 3.67Å; H41-E175 PolarHBondContact CD2-OE2 2.97Å; H41-E175 IonicContact CG-OE2 3.12Å; H41-E175 PolarHBondContact N-OE2 3.48Å; H41-E175 IonicContact NE2-OE2 3.47Å |
| 42 | Q | 65.3 | Low | 79.6 | Confident | 127 Ų | 127 | 61.5 Ų | 61.5 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -104.4 | 9.9 | 177.3 | -53.7 | -166.9 | -18.4 | 0 | 0 | 114.3 | E175 | Q42-E175 PolarHBondContact N-OE2 3.11Š|
| 43 | G | 65.5 | Low | 79.8 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | trans | 99.3 | 160.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R45 | G43-R45 PolarHBondContact O-N 3.49Š| ||
| 44 | N | 68.9 | Low | 79.8 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | trans | -70.8 | 117.5 | -170.4 | -174.1 | -15.2 | 0 | 0 | 0 | 112.4 | D36 F40 I46 G47 | D36-N44 PolarHBondContact OD2-ND2 3.2Å; F40-N44 HydrophobicContact CD2-CB 4Å; F40-N44 HydrophobicContact CE2-CB 4.02Å; F40-N44 WeakPolarHBondContact CE2-OD1 3.15Å; N44-I46 PolarHBondContact OD1-N 2.87Å; N44-I46 VanDerWaalsContact OD1-N 3.12Å; N44-G47 PolarHBondContact ND2-O 2.99Å; N44-G47 PolarHBondContact OD1-N 2.93Å; N44-G47 PolarHBondContact OD1-O 3.17Å | ||
| 45 | R | 65.9 | Low | 79.7 | Confident | 167 Ų | 167 | 63.2 Ų | 63.2 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -105.7 | -13.6 | 179 | -65.4 | -176 | -178.2 | 170.8 | 6.5 | 114.4 | G43 E175 | G43-R45 PolarHBondContact O-N 3.49Å; R45-E175 IonicContact CZ-OE1 3.89Å; R45-E175 IonicContact NH1-OE1 2.67Å |
| 46 | I | 66.3 | Low | 79.7 | Confident | 47 Ų | 47 | 66 Ų | 66 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -101.5 | -15.4 | -170 | -55.8 | -179.4 | 0 | 0 | 0 | 111.2 | F40 N44 V49 V143 V148 Y149 | F40-I46 HydrophobicContact CE1-CD1 3.72Å; F40-I46 HydrophobicContact CE1-CG1 3.81Å; F40-I46 HydrophobicContact CZ-CB 3.93Å; F40-I46 HydrophobicContact CZ-CD1 3.66Å; F40-I46 HydrophobicContact CZ-CG1 3.64Å; N44-I46 PolarHBondContact OD1-N 2.87Å; N44-I46 VanDerWaalsContact OD1-N 3.12Å; I46-V49 HydrophobicContact CB-CG2 4.42Å; I46-V49 HydrophobicContact CG2-CG2 4.33Å; I46-V143 HydrophobicContact CG2-CG2 4.06Å; I46-V148 HydrophobicContact CD1-CG1 3.85Å; I46-V148 HydrophobicContact CG2-CG1 4.08Å; I46-Y149 HydrophobicContact CD1-CE1 4.36Å |
| 47 | G | 72.1 | Confident | 79.7 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | trans | 96.5 | -143 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N44 V49 | N44-G47 PolarHBondContact ND2-O 2.99Å; N44-G47 PolarHBondContact OD1-N 2.93Å; N44-G47 PolarHBondContact OD1-O 3.17Å; G47-V49 PolarHBondContact O-N 2.67Å; G47-V49 VanDerWaalsContact O-N 3.07Å | ||
| 48 | R | 79.8 | Confident | 79.8 | Confident | 228 Ų | 228 | 59.7 Ų | 59.7 | 86% | 0.86 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -82 | 89.6 | -173.3 | -168.4 | -179 | -174.1 | -166.7 | 0.5 | 111.4 | ||
| 49 | V | 84.6 | Confident | 79.6 | Confident | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | trans | -79.2 | 135.9 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L39 I46 G47 P141 V143 | L39-V49 HydrophobicContact CD1-CB 3.92Å; L39-V49 HydrophobicContact CD1-CG1 3.75Å; L39-V49 HydrophobicContact CD1-CG2 4.04Å; I46-V49 HydrophobicContact CB-CG2 4.42Å; I46-V49 HydrophobicContact CG2-CG2 4.33Å; G47-V49 PolarHBondContact O-N 2.67Å; G47-V49 VanDerWaalsContact O-N 3.07Å; V49-P141 HydrophobicContact CG1-CB 3.6Å; V49-V143 HydrophobicContact CG2-CG2 4.19Å | ||
| 50 | V | 88.3 | Confident | 79.7 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.3 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | K52 T142 | V50-K52 HydrophobicContact CG1-CG 4.11Å; V50-T142 PolarHBondContact N-O 3.21Å; V50-T142 WeakPolarHBondContact O-CA 3.48Å; V50-T142 PolarHBondContact O-N 2.98Å; V50-T142 PolarHBondContact O-OG1 2.64Å |
| 51 | W | 90.4 | Very high | 79.8 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.8 | 176.2 | -69.2 | 80.4 | 0 | 0 | 0 | 109.8 | F32 A34 L39 R139 L140 Y174 | F32-W51 HydrophobicContact CE1-CH2 4.1Å; A34-W51 HydrophobicContact CB-CB 3.86Å; A34-W51 HydrophobicContact CB-CD2 3.63Å; A34-W51 HydrophobicContact CB-CE3 4.04Å; A34-W51 HydrophobicContact CB-CG 3.56Å; L39-W51 HydrophobicContact CD1-CZ2 4.26Å; L39-W51 HydrophobicContact CD2-CH2 4.12Å; L39-W51 HydrophobicContact CD2-CZ2 3.64Å; L39-W51 HydrophobicContact CG-CZ2 3.79Å; W51-R139 HydrophobicContact CB-CB 4.35Å; W51-R139 HydrophobicContact CE3-CB 3.98Å; W51-R139 VanDerWaalsContact CZ3-O 3.28Å; W51-R139 WeakPolarHBondContact CZ3-O 3.21Å; W51-L140 WeakPolarHBondContact CA-O 3.41Å; W51-Y174 HydrophobicContact CH2-CE2 4.25Å |
| 52 | K | 90.3 | Very high | 80.3 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.8 | -178.3 | -68.9 | -167 | 175.5 | -166 | 0 | 111.8 | V50 E56 L57 R139 L140 T142 N145 | V50-K52 HydrophobicContact CG1-CG 4.11Å; K52-E56 WeakPolarHBondContact CA-OE2 3.36Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 VanDerWaalsContact CB-OE2 3.31Å; K52-E56 WeakPolarHBondContact CB-OE2 3.3Å; K52-L57 HydrophobicContact CB-CD2 4.22Å; K52-L57 HydrophobicContact CB-CG 4.25Å; K52-L57 HydrophobicContact CD-CD2 3.78Å; K52-R139 CarbonylContact O-C 3.5Å; K52-R139 WeakPolarHBondContact O-CA 3.39Å; K52-L140 PolarHBondContact N-O 3.1Å; K52-L140 PolarHBondContact O-N 3.37Å; K52-T142 HydrophobicContact CB-CG2 4.3Å; K52-N145 VanDerWaalsContact NZ-CG 3.33Å; K52-N145 PolarHBondContact NZ-OD1 3.23Å |
| 53 | R | 91.4 | Very high | 81 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | trans | -86.6 | 156 | 172.9 | -62 | -172.1 | -174 | -102.2 | 3.1 | 110.5 | F27 Q55 E56 L57 D138 R139 | F27-R53 PolarHBondContact O-NH1 2.49Å; F27-R53 PolarHBondContact O-NH2 2.63Å; R53-Q55 PolarHBondContact O-N 3.12Å; R53-E56 HydrophobicContact CB-CG 4.41Å; R53-E56 PolarHBondContact N-OE2 3.42Å; R53-E56 VanDerWaalsContact N-OE2 3.08Å; R53-E56 WeakPolarHBondContact O-CA 3.27Å; R53-E56 WeakPolarHBondContact O-CB 3.46Å; R53-E56 PolarHBondContact O-N 2.84Å; R53-L57 PolarHBondContact O-N 2.94Å; R53-D138 VanDerWaalsContact CD-OD1 3.31Å; R53-D138 WeakPolarHBondContact CD-OD1 3.32Å; R53-D138 WeakPolarHBondContact CG-OD1 3.46Å; R53-D138 IonicContact CZ-OD1 2.72Å; R53-D138 IonicContact NE-OD1 3.76Å; R53-D138 IonicContact NH1-OD1 3.57Å; R53-D138 PolarHBondContact NH1-OD1 3.03Å; R53-R139 HydrophobicContact CG-CG 3.95Å | ||
| 54 | P | 87.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -51.3 | -38.9 | 175.4 | -33.6 | 38.9 | 0 | 0 | 0 | 114.1 | E56 L57 C58 P61 W109 D138 L140 F158 | P54-E56 PolarHBondContact O-N 3.49Å; P54-E56 VanDerWaalsContact O-N 3.17Å; P54-L57 PolarHBondContact O-N 3.33Å; P54-C58 PolarHBondContact O-N 2.84Å; P54-P61 HydrophobicContact CB-CB 3.62Å; P54-P61 HydrophobicContact CB-CG 4.33Å; P54-W109 HydrophobicContact CB-CH2 4.2Å; P54-W109 HydrophobicContact CB-CZ2 3.83Å; P54-W109 HydrophobicContact CG-CH2 3.97Å; P54-W109 HydrophobicContact CG-CZ2 3.72Å; P54-D138 WeakPolarHBondContact CD-O 3.45Å; P54-D138 HydrophobicContact CG-CB 4.45Å; P54-L140 HydrophobicContact CG-CD1 4.39Å; P54-F158 HydrophobicContact CB-CD1 4.09Å; P54-F158 HydrophobicContact CB-CD2 3.81Å; P54-F158 HydrophobicContact CB-CE1 4.1Å; P54-F158 HydrophobicContact CB-CE2 3.83Å; P54-F158 HydrophobicContact CB-CG 3.95Å; P54-F158 HydrophobicContact CB-CZ 3.98Å; P54-F158 HydrophobicContact CG-CB 4.35Å; P54-F158 HydrophobicContact CG-CD1 3.96Å; P54-F158 HydrophobicContact CG-CD2 4.3Å; P54-F158 HydrophobicContact CG-CE1 4.35Å; P54-F158 HydrophobicContact CG-CG 3.93Å |
| 55 | Q | 86.2 | Confident | 81.7 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -63.1 | -18.1 | 175.3 | -70 | -178.7 | -14.9 | 0 | 0 | 114.4 | R53 P61 | R53-Q55 PolarHBondContact O-N 3.12Å; Q55-P61 HydrophobicContact CG-CG 3.85Å |
| 56 | E | 86.6 | Confident | 81.6 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -93 | -9.9 | 175.9 | -58 | 172.7 | 168.2 | 0 | 0 | 112.3 | K52 R53 P54 | K52-E56 WeakPolarHBondContact CA-OE2 3.36Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 VanDerWaalsContact CB-OE2 3.31Å; K52-E56 WeakPolarHBondContact CB-OE2 3.3Å; R53-E56 HydrophobicContact CB-CG 4.41Å; R53-E56 PolarHBondContact N-OE2 3.42Å; R53-E56 VanDerWaalsContact N-OE2 3.08Å; R53-E56 WeakPolarHBondContact O-CA 3.27Å; R53-E56 WeakPolarHBondContact O-CB 3.46Å; R53-E56 PolarHBondContact O-N 2.84Å; P54-E56 PolarHBondContact O-N 3.49Å; P54-E56 VanDerWaalsContact O-N 3.17Å |
| 57 | L | 83.3 | Confident | 81.7 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -36.8 | -177.9 | -64.7 | 174.9 | 0 | 0 | 0 | 111.8 | K52 R53 P54 T142 L147 F158 | K52-L57 HydrophobicContact CB-CD2 4.22Å; K52-L57 HydrophobicContact CB-CG 4.25Å; K52-L57 HydrophobicContact CD-CD2 3.78Å; R53-L57 PolarHBondContact O-N 2.94Å; P54-L57 PolarHBondContact O-N 3.33Å; L57-T142 HydrophobicContact CD1-CG2 4.02Å; L57-T142 HydrophobicContact CD2-CG2 4.12Å; L57-L147 HydrophobicContact CD1-CD2 4.17Å; L57-F158 HydrophobicContact CD1-CE1 4.29Å |
| 58 | C | 83.8 | Confident | 81.6 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | trans | -136.6 | 150.7 | -179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | P54 D60 N156 F158 | P54-C58 PolarHBondContact O-N 2.84Å; C58-D60 PolarHBondContact SG-N 3.33Å; C58-D60 VanDerWaalsContact SG-N 3.44Å; C58-N156 PolarHBondContact SG-OD1 3.3Å; C58-F158 HydrophobicContact CB-CE2 4.45Å; C58-F158 HydrophobicContact CB-CZ 4.32Å | ||
| 59 | E | 80.4 | Confident | 81.3 | Confident | 201 Ų | 201 | 53.9 Ų | 53.9 | 94% | 0.939 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -71 | -28.5 | 176.8 | -64 | -172.6 | 168.3 | 0 | 0 | 113.1 | ||
| 60 | D | 83.6 | Confident | 80.5 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -136 | 73.7 | -175.5 | -170.9 | 37.6 | 0 | 0 | 0 | 110.7 | C58 H62 N156 | C58-D60 PolarHBondContact SG-N 3.33Å; C58-D60 VanDerWaalsContact SG-N 3.44Å; D60-H62 PolarHBondContact O-CD2 3.38Å; D60-H62 IonicContact OD1-CE1 3.98Å; D60-H62 IonicContact OD1-NE2 2.63Å; D60-H62 PolarHBondContact OD1-NE2 3.3Å; D60-H62 VanDerWaalsContact OD1-NE2 3.1Å; D60-H62 IonicContact OD2-CD2 3.23Å; D60-H62 IonicContact OD2-CE1 3.64Å; D60-H62 IonicContact OD2-NE2 3.84Å; D60-H62 PolarHBondContact OD2-NE2 2.91Å; D60-N156 WeakPolarHBondContact O-CB 3.49Å; D60-N156 PolarHBondContact O-ND2 2.95Å |
| 61 | P | 82.9 | Confident | 79.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | -74.4 | 133.3 | 179.2 | 30.7 | -33.5 | 0 | 0 | 0 | 110.9 | P54 Q55 W109 F158 | P54-P61 HydrophobicContact CB-CB 3.62Å; P54-P61 HydrophobicContact CB-CG 4.33Å; Q55-P61 HydrophobicContact CG-CG 3.85Å; P61-W109 HydrophobicContact CB-CD2 4.2Å; P61-W109 HydrophobicContact CB-CE3 4.47Å; P61-W109 HydrophobicContact CG-CD2 4.24Å; P61-W109 HydrophobicContact CG-CG 4.16Å; P61-W109 WeakPolarHBondContact O-CB 3.38Å; P61-F158 HydrophobicContact CB-CD2 3.96Å; P61-F158 HydrophobicContact CB-CE2 3.72Å | ||
| 62 | H | 83.4 | Confident | 78.7 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 150.5 | 174.2 | -68.4 | -77.2 | 0 | 0 | 0 | 110.5 | D60 V65 E108 W109 N156 F158 | D60-H62 PolarHBondContact O-CD2 3.38Å; D60-H62 IonicContact OD1-CE1 3.98Å; D60-H62 IonicContact OD1-NE2 2.63Å; D60-H62 PolarHBondContact OD1-NE2 3.3Å; D60-H62 VanDerWaalsContact OD1-NE2 3.1Å; D60-H62 IonicContact OD2-CD2 3.23Å; D60-H62 IonicContact OD2-CE1 3.64Å; D60-H62 IonicContact OD2-NE2 3.84Å; D60-H62 PolarHBondContact OD2-NE2 2.91Å; H62-V65 HydrophobicContact CB-CG2 4.02Å; H62-E108 WeakPolarHBondContact CA-OE1 3.31Å; H62-W109 VanDerWaalsContact C-CE3 3.41Å; H62-N156 PolarHBondContact N-O 2.83Å; H62-N156 VanDerWaalsContact O-O 3.12Å; H62-F158 PolarHBondContact O-N 2.92Å; H62-F158 VanDerWaalsContact O-N 3.1Å |
| 63 | L | 79.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -74.9 | -46.6 | 169.7 | -167.9 | 67.2 | 0 | 0 | 0 | 107.7 | I101 W104 Q107 E108 W109 F121 W159 L162 | L63-I101 HydrophobicContact CD2-CG2 4.46Å; L63-W104 HydrophobicContact CD2-CB 4.41Å; L63-Q107 HydrophobicContact CD2-CB 4Å; L63-E108 WeakPolarHBondContact CB-OE1 3.38Å; L63-E108 VanDerWaalsContact CB-OE2 3.3Å; L63-E108 WeakPolarHBondContact CB-OE2 3.38Å; L63-E108 PolarHBondContact N-OE1 3.05Å; L63-E108 PolarHBondContact N-OE2 3.24Å; L63-W109 HydrophobicContact CB-CE3 4.28Å; L63-W109 HydrophobicContact CB-CZ3 3.98Å; L63-W109 HydrophobicContact CD1-CZ3 4.32Å; L63-W109 VanDerWaalsContact N-CE3 3.33Å; L63-W109 VanDerWaalsContact N-CZ3 3.29Å; L63-F121 HydrophobicContact CD1-CD1 4.16Å; L63-F121 HydrophobicContact CD1-CE1 3.96Å; L63-W159 HydrophobicContact CD1-CB 4.01Å; L63-W159 HydrophobicContact CG-CB 4.24Å; L63-W159 VanDerWaalsContact O-CB 3.3Å; L63-W159 WeakPolarHBondContact O-CB 3.46Å; L63-W159 PolarHBondContact O-N 2.8Å; L63-L162 HydrophobicContact CD1-CD1 3.78Å |
| 64 | F | 81.3 | Confident | 77.4 | Confident | 15 Ų | 15 | 50 Ų | 50 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | trans | -133.2 | 134.2 | 173.1 | -48.8 | -59.8 | 0 | 0 | 0 | 111.4 | I68 W97 I101 W104 E108 W159 | F64-I68 HydrophobicContact CD1-CD1 4.13Å; F64-I68 HydrophobicContact CD1-CG1 3.57Å; F64-I68 HydrophobicContact CE1-CD1 3.31Å; F64-I68 HydrophobicContact CE1-CG1 3.3Å; F64-I68 HydrophobicContact CG-CG1 4.4Å; F64-I68 HydrophobicContact CZ-CD1 3.61Å; F64-I68 HydrophobicContact CZ-CG1 3.89Å; F64-W97 HydrophobicContact CE2-CH2 4.37Å; F64-W97 HydrophobicContact CE2-CZ3 4.03Å; F64-W97 HydrophobicContact CZ-CZ3 4.04Å; F64-I101 HydrophobicContact CE1-CD1 4.14Å; F64-I101 HydrophobicContact CZ-CD1 3.85Å; F64-I101 HydrophobicContact CZ-CG2 4.16Å; F64-W104 HydrophobicContact CD2-CD2 4.22Å; F64-W104 AromaticContact CD2-CE3 3.7Å; F64-W104 HydrophobicContact CD2-CE3 3.7Å; F64-W104 HydrophobicContact CD2-CZ3 4.24Å; F64-W104 HydrophobicContact CE2-CB 3.64Å; F64-W104 AromaticContact CE2-CD2 3.95Å; F64-W104 HydrophobicContact CE2-CD2 3.95Å; F64-W104 AromaticContact CE2-CE3 3.87Å; F64-W104 HydrophobicContact CE2-CE3 3.87Å; F64-W104 AromaticContact CE2-CG 3.88Å; F64-W104 HydrophobicContact CE2-CG 3.88Å; F64-W104 HydrophobicContact CZ-CB 4.4Å; F64-E108 PolarHBondContact N-OE2 3.12Å; F64-E108 VanDerWaalsContact N-OE2 3.16Å; F64-W159 HydrophobicContact CD1-CB 3.92Å; F64-W159 AromaticContact CD1-CD1 3.59Å; F64-W159 AromaticContact CD1-CG 3.8Å; F64-W159 HydrophobicContact CD1-CG 3.8Å; F64-W159 HydrophobicContact CE1-CB 3.43Å; F64-W159 VanDerWaalsContact CE1-CB 3.43Å; F64-W159 AromaticContact CE1-CD1 3.82Å; F64-W159 HydrophobicContact CE1-CD2 4.19Å; F64-W159 AromaticContact CE1-CG 3.53Å; F64-W159 HydrophobicContact CE1-CG 3.53Å; F64-W159 HydrophobicContact CZ-CB 4.35Å | ||
| 65 | V | 66.7 | Low | 76.9 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 38% | 0.376 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -91.7 | -51.5 | 175.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | H62 N156 E157 | H62-V65 HydrophobicContact CB-CG2 4.02Å; V65-N156 HydrophobicContact CG2-CB 4.45Å; V65-E157 HydrophobicContact CG2-CB 4.04Å; V65-E157 PolarHBondContact N-OE1 3.04Å |
| 66 | D | 65.1 | Low | 76.6 | Confident | 162 Ų | 162 | 47.3 Ų | 47.3 | 87% | 0.866 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -128 | 34.7 | -178.8 | -80 | -42.3 | 0 | 0 | 0 | 112.4 | ||
| 67 | G | 67.1 | Low | 75.9 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 84.1 | -168.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 68 | I | 71.6 | Confident | 75.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | trans | -94.1 | 119.6 | 178.4 | -55.7 | -165.6 | 0 | 0 | 0 | 109 | F64 A91 W97 I101 W159 | F64-I68 HydrophobicContact CD1-CD1 4.13Å; F64-I68 HydrophobicContact CD1-CG1 3.57Å; F64-I68 HydrophobicContact CE1-CD1 3.31Å; F64-I68 HydrophobicContact CE1-CG1 3.3Å; F64-I68 HydrophobicContact CG-CG1 4.4Å; F64-I68 HydrophobicContact CZ-CD1 3.61Å; F64-I68 HydrophobicContact CZ-CG1 3.89Å; I68-A91 HydrophobicContact CG2-CB 3.52Å; I68-W97 HydrophobicContact CD1-CB 4.03Å; I68-W97 HydrophobicContact CD1-CD2 3.34Å; I68-W97 HydrophobicContact CD1-CE3 3.34Å; I68-W97 HydrophobicContact CD1-CG 3.66Å; I68-W97 HydrophobicContact CD1-CH2 4.43Å; I68-W97 HydrophobicContact CD1-CZ2 4.43Å; I68-W97 HydrophobicContact CD1-CZ3 3.9Å; I68-W97 HydrophobicContact CG1-CD2 4Å; I68-W97 HydrophobicContact CG1-CE3 4.19Å; I68-W97 HydrophobicContact CG1-CG 4.42Å; I68-W97 HydrophobicContact CG1-CH2 4.47Å; I68-W97 HydrophobicContact CG1-CZ2 4.28Å; I68-W97 HydrophobicContact CG1-CZ3 4.41Å; I68-I101 HydrophobicContact CD1-CD1 3.86Å; I68-W159 HydrophobicContact CG2-CD2 4.39Å; I68-W159 HydrophobicContact CG2-CH2 3.55Å; I68-W159 HydrophobicContact CG2-CZ2 3.37Å; I68-W159 HydrophobicContact CG2-CZ3 4.18Å | ||
| 69 | S | 73.1 | Confident | 75 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | -112.1 | 150.8 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | H71 D72 | S69-H71 PolarHBondContact O-N 3.09Å; S69-H71 WeakPolarHBondContact OG-CB 3.4Å; S69-H71 PolarHBondContact OG-N 3.07Å; S69-H71 PolarHBondContact OG-ND1 2.97Å; S69-D72 WeakPolarHBondContact CA-OD2 3.15Å; S69-D72 WeakPolarHBondContact CB-OD1 3.3Å; S69-D72 WeakPolarHBondContact CB-OD2 3.36Å; S69-D72 PolarHBondContact N-OD2 3.15Å; S69-D72 PolarHBondContact O-N 3.49Å | ||
| 70 | A | 68 | Low | 75 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -65.5 | -16.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D72 A91 R283 | A70-D72 VanDerWaalsContact C-N 3.3Å; A70-A91 HydrophobicContact CB-CB 4.28Å; A70-R283 VanDerWaalsContact C-NE 3.34Å; A70-R283 VanDerWaalsContact O-CZ 3.31Å; A70-R283 PolarHBondContact O-NE 2.77Å; A70-R283 PolarHBondContact O-NH2 2.92Å |
| 71 | H | 69.5 | Low | 74.8 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -73.6 | -17.6 | 178.5 | -61.3 | 78.3 | 0 | 0 | 0 | 113.4 | S69 L73 H74 R283 D320 | S69-H71 PolarHBondContact O-N 3.09Å; S69-H71 WeakPolarHBondContact OG-CB 3.4Å; S69-H71 PolarHBondContact OG-N 3.07Å; S69-H71 PolarHBondContact OG-ND1 2.97Å; H71-L73 PolarHBondContact O-N 3.21Å; H71-H74 PolarHBondContact O-CE1 3.1Å; H71-R283 PolarHBondContact CD2-NH1 2.93Å; H71-R283 PolarHBondContact NE2-NH1 2.78Å; H71-R283 VanDerWaalsContact NE2-NH1 3.18Å; H71-D320 IonicContact NE2-OD2 3.96Å; H71-D320 PolarHBondContact NE2-OD2 3.11Å |
| 72 | D | 70.4 | Confident | 74.8 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -85 | 8.2 | -175.9 | -44.7 | -22.7 | 0 | 0 | 0 | 112.5 | S69 A70 S152 E157 W159 S160 | S69-D72 WeakPolarHBondContact CA-OD2 3.15Å; S69-D72 WeakPolarHBondContact CB-OD1 3.3Å; S69-D72 WeakPolarHBondContact CB-OD2 3.36Å; S69-D72 PolarHBondContact N-OD2 3.15Å; S69-D72 PolarHBondContact O-N 3.49Å; A70-D72 VanDerWaalsContact C-N 3.3Å; D72-S152 WeakPolarHBondContact CA-OG 3.05Å; D72-S152 WeakPolarHBondContact CB-OG 3.49Å; D72-S152 WeakPolarHBondContact O-CA 3.34Å; D72-S152 WeakPolarHBondContact O-CB 3.46Å; D72-S152 PolarHBondContact O-N 3.5Å; D72-E157 WeakPolarHBondContact CB-OE2 3.4Å; D72-W159 HydrophobicContact CB-CZ2 3.93Å; D72-W159 PolarHBondContact OD2-NE1 2.84Å; D72-S160 PolarHBondContact O-OG 2.84Å |
| 73 | L | 77.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -120.3 | 99.8 | -170 | -73.2 | 165.5 | 0 | 0 | 0 | 109.6 | H71 V84 C87 S88 W159 | H71-L73 PolarHBondContact O-N 3.21Å; L73-V84 HydrophobicContact CB-CG1 3.88Å; L73-C87 HydrophobicContact CD1-CB 3.59Å; L73-C87 HydrophobicContact CD2-CB 3.77Å; L73-C87 HydrophobicContact CG-CB 4.37Å; L73-S88 VanDerWaalsContact CD1-CA 3.44Å; L73-S88 WeakPolarHBondContact CD1-OG 3.49Å; L73-W159 HydrophobicContact CD1-CH2 3.76Å; L73-W159 HydrophobicContact CD1-CZ2 4.25Å; L73-W159 HydrophobicContact CD2-CH2 3.73Å; L73-W159 HydrophobicContact CD2-CZ2 4.18Å; L73-W159 HydrophobicContact CD2-CZ3 4.25Å; L73-W159 HydrophobicContact CG-CH2 3.74Å; L73-W159 HydrophobicContact CG-CZ2 3.91Å | ||
| 74 | H | 76.7 | Confident | 75 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -115.8 | 129.3 | 169.7 | -62.1 | 79.8 | 0 | 0 | 0 | 109.6 | H71 G76 C150 H151 N153 | H71-H74 PolarHBondContact O-CE1 3.1Å; H74-G76 PolarHBondContact O-N 2.78Å; H74-C150 WeakPolarHBondContact O-CA 3.49Å; H74-H151 WeakPolarHBondContact CB-O 3.47Å; H74-H151 PolarHBondContact N-O 3.42Å; H74-H151 PolarHBondContact O-N 3.37Å; H74-N153 PolarHBondContact CE1-ND2 3.18Å; H74-N153 PolarHBondContact CE1-OD1 2.89Å; H74-N153 PolarHBondContact ND1-OD1 3.12Å; H74-N153 PolarHBondContact NE2-ND2 3.24Å; H74-N153 PolarHBondContact NE2-OD1 3.22Å |
| 75 | Q | 78.4 | Confident | 75.1 | Confident | 26 Ų | 26 | 32 Ų | 32 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | trans | -65.7 | 131.3 | 175.7 | -169.9 | -178.2 | -21.1 | 0 | 0 | 110.5 | L78 V84 | Q75-L78 PolarHBondContact NE2-O 2.99Å; Q75-V84 HydrophobicContact CB-CG2 4.24Å; Q75-V84 HydrophobicContact CG-CG2 4.34Å | ||
| 76 | G | 79.2 | Confident | 76 | Confident | 20 Ų | 20 | 29 Ų | 29 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | trans | -82.8 | -149.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | H74 L78 | H74-G76 PolarHBondContact O-N 2.78Å; G76-L78 PolarHBondContact O-N 3.4Å | ||
| 77 | Q | 72 | Confident | 77 | Confident | 140 Ų | 140 | 21.3 Ų | 21.3 | 65% | 0.654 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -76.2 | -2.2 | -176.1 | -62.3 | -177 | 8 | 0 | 0 | 114.9 | V148 | Q77-V148 PolarHBondContact N-O 3.23Š|
| 78 | L | 77.3 | Confident | 77.7 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 9% | 0.094 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -96.3 | 142.5 | -175.7 | -170.4 | 67 | 0 | 0 | 0 | 110.7 | Q75 G76 N80 Y149 Y174 L177 D178 | Q75-L78 PolarHBondContact NE2-O 2.99Å; G76-L78 PolarHBondContact O-N 3.4Å; L78-N80 HydrophobicContact CD2-CB 4.08Å; L78-N80 HydrophobicContact CG-CB 4.22Å; L78-N80 PolarHBondContact O-N 2.95Å; L78-N80 PolarHBondContact O-OD1 2.71Å; L78-N80 VanDerWaalsContact O-OD1 3.13Å; L78-Y149 HydrophobicContact CB-CD1 3.84Å; L78-Y149 HydrophobicContact CB-CE1 4.07Å; L78-Y149 HydrophobicContact CD2-CD1 4.26Å; L78-Y149 HydrophobicContact CD2-CE1 4.27Å; L78-Y174 WeakPolarHBondContact CD2-O 3.45Å; L78-L177 HydrophobicContact CD2-CB 4.09Å; L78-D178 HydrophobicContact CD1-CB 3.9Å |
| 79 | G | 71.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 18.7 Ų | 18.7 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -74 | 46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D178 G179 | G79-D178 WeakPolarHBondContact CA-OD1 3.46Å; G79-D178 PolarHBondContact N-OD1 3.21Å; G79-G179 PolarHBondContact O-N 2.78Å |
| 80 | N | 79.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -103.6 | 27.8 | -178.3 | 72.3 | -26.7 | 0 | 0 | 0 | 113.6 | L78 W82 F83 V84 E164 L177 | L78-N80 HydrophobicContact CD2-CB 4.08Å; L78-N80 HydrophobicContact CG-CB 4.22Å; L78-N80 PolarHBondContact O-N 2.95Å; L78-N80 PolarHBondContact O-OD1 2.71Å; L78-N80 VanDerWaalsContact O-OD1 3.13Å; N80-W82 PolarHBondContact O-N 2.93Å; N80-F83 HydrophobicContact CB-CB 4.38Å; N80-F83 WeakPolarHBondContact O-CA 3.45Å; N80-F83 WeakPolarHBondContact O-CB 3.33Å; N80-F83 PolarHBondContact O-N 3.24Å; N80-V84 PolarHBondContact O-N 2.83Å; N80-E164 PolarHBondContact ND2-OE1 3.37Å; N80-L177 HydrophobicContact CB-CB 4.36Å | ||
| 81 | C | 79.7 | Confident | 79.5 | Confident | 15 Ų | 15 | 16.8 Ų | 16.8 | 10% | 0.101 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -45.7 | -37.3 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | F83 V84 A85 H252 | C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 2.69Å; C81-V84 PolarHBondContact O-N 2.91Å; C81-A85 VanDerWaalsContact O-CB 3.26Å; C81-A85 WeakPolarHBondContact O-CB 3.41Å; C81-A85 PolarHBondContact O-N 3.02Å; C81-H252 WeakPolarHBondContact CB-CE1 3.15Å; C81-H252 WeakPolarHBondContact CB-ND1 3.25Å |
| 82 | W | 83.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 16.4 Ų | 16.4 | 4% | 0.038 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.4 | -37.6 | 176.7 | 69 | -84.3 | 0 | 0 | 0 | 113.4 | N80 A86 Y167 L177 G180 N181 T182 A185 | N80-W82 PolarHBondContact O-N 2.93Å; W82-A86 WeakPolarHBondContact O-CB 3.45Å; W82-A86 PolarHBondContact O-N 3.44Å; W82-Y167 AromaticContact CH2-CE1 3.54Å; W82-Y167 HydrophobicContact CH2-CE1 3.54Å; W82-Y167 HydrophobicContact CZ2-CE1 4.22Å; W82-Y167 HydrophobicContact CZ3-CE1 4.16Å; W82-L177 HydrophobicContact CZ2-CD2 4.39Å; W82-L177 PolarHBondContact NE1-O 3.31Å; W82-G180 VanDerWaalsContact CD1-N 3.32Å; W82-N181 VanDerWaalsContact CE3-C 3.42Å; W82-N181 WeakPolarHBondContact CZ3-O 3.23Å; W82-T182 WeakPolarHBondContact CA-OG1 3.14Å; W82-T182 VanDerWaalsContact CB-OG1 3.3Å; W82-T182 WeakPolarHBondContact CB-OG1 3.32Å; W82-T182 WeakPolarHBondContact O-CG2 3.34Å; W82-A185 HydrophobicContact CE3-CB 3.7Å; W82-A185 HydrophobicContact CZ3-CB 3.54Å |
| 83 | F | 84.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -75.5 | -47.2 | 177.5 | 174.5 | -95.8 | 0 | 0 | 0 | 110.3 | N80 C81 A85 A86 C87 V163 E164 Y167 F189 | N80-F83 HydrophobicContact CB-CB 4.38Å; N80-F83 WeakPolarHBondContact O-CA 3.45Å; N80-F83 WeakPolarHBondContact O-CB 3.33Å; N80-F83 PolarHBondContact O-N 3.24Å; C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 2.69Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.42Å; F83-A86 WeakPolarHBondContact O-CB 3.01Å; F83-A86 PolarHBondContact O-N 3.3Å; F83-A86 VanDerWaalsContact O-N 3.1Å; F83-C87 VanDerWaalsContact CE1-SG 3.53Å; F83-C87 VanDerWaalsContact CZ-SG 3.57Å; F83-C87 PolarHBondContact O-N 2.95Å; F83-C87 PolarHBondContact O-SG 3.32Å; F83-V163 HydrophobicContact CE1-CG1 4.43Å; F83-V163 HydrophobicContact CZ-CG1 4.13Å; F83-E164 HydrophobicContact CD1-CG 4.44Å; F83-E164 HydrophobicContact CE1-CB 3.79Å; F83-E164 HydrophobicContact CE1-CG 4.04Å; F83-E164 HydrophobicContact CZ-CB 4.29Å; F83-Y167 AromaticContact CD2-CD1 3.38Å; F83-Y167 HydrophobicContact CD2-CD1 3.38Å; F83-Y167 AromaticContact CD2-CE1 3.56Å; F83-Y167 HydrophobicContact CD2-CE1 3.56Å; F83-Y167 AromaticContact CD2-CG 3.93Å; F83-Y167 HydrophobicContact CD2-CG 3.93Å; F83-Y167 AromaticContact CE2-CD1 3.33Å; F83-Y167 HydrophobicContact CE2-CD1 3.33Å; F83-Y167 AromaticContact CE2-CD2 3.93Å; F83-Y167 HydrophobicContact CE2-CD2 3.93Å; F83-Y167 AromaticContact CE2-CE1 3.88Å; F83-Y167 HydrophobicContact CE2-CE1 3.88Å; F83-Y167 HydrophobicContact CE2-CE2 4.43Å; F83-Y167 AromaticContact CE2-CG 3.35Å; F83-Y167 HydrophobicContact CE2-CG 3.35Å; F83-Y167 HydrophobicContact CG-CD1 4.39Å; F83-Y167 HydrophobicContact CZ-CD1 4.33Å; F83-Y167 HydrophobicContact CZ-CG 4.19Å; F83-F189 AromaticContact CD2-CZ 3.85Å; F83-F189 HydrophobicContact CD2-CZ 3.85Å; F83-F189 AromaticContact CE2-CE1 3.96Å; F83-F189 HydrophobicContact CE2-CE1 3.96Å; F83-F189 AromaticContact CE2-CZ 3.42Å; F83-F189 HydrophobicContact CE2-CZ 3.42Å; F83-F189 VanDerWaalsContact CE2-CZ 3.42Å; F83-F189 HydrophobicContact CZ-CZ 4.09Å |
| 84 | V | 82.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 179.4 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | L73 Q75 N80 C81 A86 C87 S88 P285 | L73-V84 HydrophobicContact CB-CG1 3.88Å; Q75-V84 HydrophobicContact CB-CG2 4.24Å; Q75-V84 HydrophobicContact CG-CG2 4.34Å; N80-V84 PolarHBondContact O-N 2.83Å; C81-V84 PolarHBondContact O-N 2.91Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 2.81Å; V84-C87 CarbonylContact O-C 3.56Å; V84-C87 WeakPolarHBondContact O-CB 3.46Å; V84-C87 PolarHBondContact O-N 3.15Å; V84-C87 VanDerWaalsContact O-N 3.13Å; V84-S88 PolarHBondContact O-N 3.38Å; V84-S88 PolarHBondContact O-OG 2.97Å; V84-S88 VanDerWaalsContact O-OG 3.1Å; V84-P285 HydrophobicContact CB-CB 4.01Å; V84-P285 HydrophobicContact CG1-CB 3.77Å |
| 85 | A | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C81 F83 C87 S88 S89 T182 A253 A255 P285 | C81-A85 VanDerWaalsContact O-CB 3.26Å; C81-A85 WeakPolarHBondContact O-CB 3.41Å; C81-A85 PolarHBondContact O-N 3.02Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.42Å; A85-C87 VanDerWaalsContact C-N 3.35Å; A85-S88 PolarHBondContact O-N 3.26Å; A85-S89 PolarHBondContact O-N 3.03Å; A85-S89 PolarHBondContact O-OG 3.42Å; A85-T182 HydrophobicContact CB-CG2 4.48Å; A85-A253 HydrophobicContact CB-CB 3.79Å; A85-A255 WeakPolarHBondContact O-CB 3.49Å; A85-P285 HydrophobicContact CB-CG 3.61Å |
| 86 | A | 85.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | W82 F83 V84 S89 L90 T182 A185 L186 F189 | W82-A86 WeakPolarHBondContact O-CB 3.45Å; W82-A86 PolarHBondContact O-N 3.44Å; F83-A86 WeakPolarHBondContact O-CB 3.01Å; F83-A86 PolarHBondContact O-N 3.3Å; F83-A86 VanDerWaalsContact O-N 3.1Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 2.81Å; A86-S89 PolarHBondContact O-N 3.33Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 PolarHBondContact O-N 2.67Å; A86-T182 HydrophobicContact CB-CG2 4.24Å; A86-A185 HydrophobicContact CB-CB 3.47Å; A86-A185 VanDerWaalsContact CB-CB 3.47Å; A86-L186 HydrophobicContact CB-CD2 3.75Å; A86-L186 HydrophobicContact CB-CG 4.09Å; A86-F189 HydrophobicContact CB-CD2 4.07Å; A86-F189 HydrophobicContact CB-CE2 3.6Å |
| 87 | C | 85.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 173.2 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | L73 F83 V84 A85 S89 L90 A91 F189 | L73-C87 HydrophobicContact CD1-CB 3.59Å; L73-C87 HydrophobicContact CD2-CB 3.77Å; L73-C87 HydrophobicContact CG-CB 4.37Å; F83-C87 VanDerWaalsContact CE1-SG 3.53Å; F83-C87 VanDerWaalsContact CZ-SG 3.57Å; F83-C87 PolarHBondContact O-N 2.95Å; F83-C87 PolarHBondContact O-SG 3.32Å; V84-C87 CarbonylContact O-C 3.56Å; V84-C87 WeakPolarHBondContact O-CB 3.46Å; V84-C87 PolarHBondContact O-N 3.15Å; V84-C87 VanDerWaalsContact O-N 3.13Å; A85-C87 VanDerWaalsContact C-N 3.35Å; C87-S89 VanDerWaalsContact C-N 3.33Å; C87-S89 PolarHBondContact O-N 3.33Å; C87-L90 WeakPolarHBondContact O-CA 3.16Å; C87-L90 WeakPolarHBondContact O-CB 3.33Å; C87-L90 PolarHBondContact O-N 2.86Å; C87-L90 VanDerWaalsContact O-N 3.09Å; C87-A91 PolarHBondContact O-N 3.08Å; C87-F189 VanDerWaalsContact SG-CZ 3.54Å |
| 88 | S | 83.1 | Confident | 82 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | L73 V84 A85 L90 A91 | L73-S88 VanDerWaalsContact CD1-CA 3.44Å; L73-S88 WeakPolarHBondContact CD1-OG 3.49Å; V84-S88 PolarHBondContact O-N 3.38Å; V84-S88 PolarHBondContact O-OG 2.97Å; V84-S88 VanDerWaalsContact O-OG 3.1Å; A85-S88 PolarHBondContact O-N 3.26Å; S88-L90 VanDerWaalsContact C-N 3.34Å; S88-A91 PolarHBondContact O-N 3.29Å |
| 89 | S | 83.1 | Confident | 82.4 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 171 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | A85 A86 C87 S92 L227 I228 A255 | A85-S89 PolarHBondContact O-N 3.03Å; A85-S89 PolarHBondContact O-OG 3.42Å; A86-S89 PolarHBondContact O-N 3.33Å; C87-S89 VanDerWaalsContact C-N 3.33Å; C87-S89 PolarHBondContact O-N 3.33Å; S89-S92 PolarHBondContact O-N 3.14Å; S89-S92 PolarHBondContact O-OG 2.54Å; S89-L227 WeakPolarHBondContact O-CD2 3.48Å; S89-I228 PolarHBondContact OG-O 2.86Å; S89-A255 WeakPolarHBondContact OG-CB 3.36Å |
| 90 | L | 85.3 | Confident | 83.2 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 178.6 | -179.3 | 65.4 | 0 | 0 | 0 | 112.4 | A86 C87 S88 S92 R93 L96 W97 V100 F189 | A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 PolarHBondContact O-N 2.67Å; C87-L90 WeakPolarHBondContact O-CA 3.16Å; C87-L90 WeakPolarHBondContact O-CB 3.33Å; C87-L90 PolarHBondContact O-N 2.86Å; C87-L90 VanDerWaalsContact O-N 3.09Å; S88-L90 VanDerWaalsContact C-N 3.34Å; L90-S92 PolarHBondContact O-N 2.93Å; L90-R93 PolarHBondContact O-N 3.01Å; L90-L96 HydrophobicContact CD1-CB 3.58Å; L90-W97 HydrophobicContact CD1-CB 4.19Å; L90-W97 HydrophobicContact CD2-CB 4.37Å; L90-W97 HydrophobicContact CG-CB 3.9Å; L90-V100 HydrophobicContact CD1-CG2 4.35Å; L90-V100 HydrophobicContact CD2-CB 4.23Å; L90-V100 HydrophobicContact CD2-CG1 4.36Å; L90-V100 HydrophobicContact CD2-CG2 3.96Å; L90-F189 HydrophobicContact CB-CD2 4.36Å; L90-F189 HydrophobicContact CD1-CB 4.14Å; L90-F189 HydrophobicContact CD2-CB 4.14Å; L90-F189 HydrophobicContact CD2-CD1 4.38Å; L90-F189 HydrophobicContact CD2-CD2 4.09Å; L90-F189 HydrophobicContact CD2-CG 3.97Å |
| 91 | A | 82.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.6 | -36 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I68 A70 C87 S88 R93 | I68-A91 HydrophobicContact CG2-CB 3.52Å; A70-A91 HydrophobicContact CB-CB 4.28Å; C87-A91 PolarHBondContact O-N 3.08Å; S88-A91 PolarHBondContact O-N 3.29Å; A91-R93 PolarHBondContact O-N 3.27Å |
| 92 | S | 77.1 | Confident | 83.9 | Confident | 52 Ų | 52 | 25.4 Ų | 25.4 | 36% | 0.364 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.8 | 177.6 | 75.9 | 0 | 0 | 0 | 0 | 114.8 | S89 L90 | S89-S92 PolarHBondContact O-N 3.14Å; S89-S92 PolarHBondContact O-OG 2.54Å; L90-S92 PolarHBondContact O-N 2.93Å |
| 93 | R | 82.5 | Confident | 83.9 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | trans | -129.2 | 97.9 | -172.9 | -60.8 | -61.2 | 177.4 | 166 | -1 | 112.6 | L90 A91 S95 L96 W97 H222 D225 L227 | L90-R93 PolarHBondContact O-N 3.01Å; A91-R93 PolarHBondContact O-N 3.27Å; R93-S95 VanDerWaalsContact C-N 3.34Å; R93-S95 PolarHBondContact O-N 2.75Å; R93-L96 HydrophobicContact CB-CB 4.1Å; R93-L96 HydrophobicContact CB-CD1 3.84Å; R93-L96 HydrophobicContact CB-CG 4.14Å; R93-L96 HydrophobicContact CG-CD1 4.15Å; R93-L96 PolarHBondContact O-N 3.13Å; R93-W97 PolarHBondContact O-N 3.42Å; R93-W97 VanDerWaalsContact O-N 3.14Å; R93-H222 PolarHBondContact NH2-CE1 3.45Å; R93-H222 PolarHBondContact NH2-ND1 2.93Å; R93-H222 PolarHBondContact NH2-O 2.84Å; R93-D225 IonicContact CZ-OD1 3.09Å; R93-D225 IonicContact NH1-OD1 2.87Å; R93-D225 PolarHBondContact NH1-OD1 3.32Å; R93-L227 HydrophobicContact CB-CD2 4.48Å; R93-L227 HydrophobicContact CG-CD2 3.77Å | ||
| 94 | E | 80.9 | Confident | 83.7 | Confident | 139 Ų | 139 | 32.4 Ų | 32.4 | 65% | 0.65 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -53.2 | -44.7 | -179.4 | -70 | -176.8 | 179.2 | 0 | 0 | 115.1 | L96 W97 Q98 | E94-L96 PolarHBondContact O-N 3.23Å; E94-W97 VanDerWaalsContact CA-CD1 3.41Å; E94-W97 VanDerWaalsContact CA-NE1 3.34Å; E94-Q98 WeakPolarHBondContact O-CB 3.43Å; E94-Q98 VanDerWaalsContact O-CG 3.26Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 2.78Å |
| 95 | S | 80.7 | Confident | 83.6 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.9 | -19.3 | -177.6 | 67.2 | 0 | 0 | 0 | 0 | 114 | R93 K99 | R93-S95 VanDerWaalsContact C-N 3.34Å; R93-S95 PolarHBondContact O-N 2.75Å; S95-K99 WeakPolarHBondContact O-CE 3.37Å; S95-K99 WeakPolarHBondContact O-CG 3.49Å |
| 96 | L | 83.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -93.8 | -47.1 | 180 | -68.9 | 177.6 | 0 | 0 | 0 | 111.3 | L90 R93 E94 Q98 K99 V100 T190 L227 L342 | L90-L96 HydrophobicContact CD1-CB 3.58Å; R93-L96 HydrophobicContact CB-CB 4.1Å; R93-L96 HydrophobicContact CB-CD1 3.84Å; R93-L96 HydrophobicContact CB-CG 4.14Å; R93-L96 HydrophobicContact CG-CD1 4.15Å; R93-L96 PolarHBondContact O-N 3.13Å; E94-L96 PolarHBondContact O-N 3.23Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 2.64Å; L96-K99 WeakPolarHBondContact O-CB 3.47Å; L96-K99 PolarHBondContact O-N 3.03Å; L96-V100 PolarHBondContact O-N 2.93Å; L96-T190 HydrophobicContact CD1-CG2 3.97Å; L96-T190 HydrophobicContact CD2-CG2 4.28Å; L96-L227 HydrophobicContact CD1-CD1 4.24Å; L96-L227 HydrophobicContact CD1-CD2 3.8Å; L96-L227 HydrophobicContact CD1-CG 3.95Å; L96-L342 HydrophobicContact CD1-CD1 4.15Å; L96-L342 HydrophobicContact CD2-CD1 3.82Å; L96-L342 HydrophobicContact CD2-CD2 4Å; L96-L342 HydrophobicContact CG-CD1 4.34Å |
| 97 | W | 83.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 46 Ų | 46 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | -179.4 | 73.9 | -118.5 | 0 | 0 | 0 | 111.7 | F64 I68 L90 R93 E94 K99 V100 I101 W104 | F64-W97 HydrophobicContact CE2-CH2 4.37Å; F64-W97 HydrophobicContact CE2-CZ3 4.03Å; F64-W97 HydrophobicContact CZ-CZ3 4.04Å; I68-W97 HydrophobicContact CD1-CB 4.03Å; I68-W97 HydrophobicContact CD1-CD2 3.34Å; I68-W97 HydrophobicContact CD1-CE3 3.34Å; I68-W97 HydrophobicContact CD1-CG 3.66Å; I68-W97 HydrophobicContact CD1-CH2 4.43Å; I68-W97 HydrophobicContact CD1-CZ2 4.43Å; I68-W97 HydrophobicContact CD1-CZ3 3.9Å; I68-W97 HydrophobicContact CG1-CD2 4Å; I68-W97 HydrophobicContact CG1-CE3 4.19Å; I68-W97 HydrophobicContact CG1-CG 4.42Å; I68-W97 HydrophobicContact CG1-CH2 4.47Å; I68-W97 HydrophobicContact CG1-CZ2 4.28Å; I68-W97 HydrophobicContact CG1-CZ3 4.41Å; L90-W97 HydrophobicContact CD1-CB 4.19Å; L90-W97 HydrophobicContact CD2-CB 4.37Å; L90-W97 HydrophobicContact CG-CB 3.9Å; R93-W97 PolarHBondContact O-N 3.42Å; R93-W97 VanDerWaalsContact O-N 3.14Å; E94-W97 VanDerWaalsContact CA-CD1 3.41Å; E94-W97 VanDerWaalsContact CA-NE1 3.34Å; W97-K99 PolarHBondContact O-N 3.37Å; W97-V100 CarbonylContact O-C 3.5Å; W97-V100 PolarHBondContact O-N 3.45Å; W97-I101 HydrophobicContact CE3-CB 4.45Å; W97-I101 PolarHBondContact O-N 3.43Å; W97-W104 AromaticContact CH2-CD1 3.92Å; W97-W104 HydrophobicContact CH2-CD2 4.44Å; W97-W104 HydrophobicContact CH2-CG 4.36Å; W97-W104 AromaticContact CH2-NE1 3.73Å; W97-W104 AromaticContact CZ3-CD1 3.68Å; W97-W104 HydrophobicContact CZ3-CG 4.09Å; W97-W104 AromaticContact CZ3-NE1 3.98Å |
| 98 | Q | 86.5 | Confident | 83.2 | Confident | 90 Ų | 90 | 47.7 Ų | 47.7 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -20.8 | 173.9 | -72 | 176.4 | 6.9 | 0 | 0 | 113.4 | E94 L96 I101 | E94-Q98 WeakPolarHBondContact O-CB 3.43Å; E94-Q98 VanDerWaalsContact O-CG 3.26Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 2.78Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 2.64Å; Q98-I101 CarbonylContact O-C 3.57Å |
| 99 | K | 86.3 | Confident | 83.1 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 45% | 0.452 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77.9 | -36.7 | 172.2 | -66.4 | 175.3 | -177 | 172.3 | 0 | 111.5 | S95 L96 W97 R124 W131 | S95-K99 WeakPolarHBondContact O-CE 3.37Å; S95-K99 WeakPolarHBondContact O-CG 3.49Å; L96-K99 WeakPolarHBondContact O-CB 3.47Å; L96-K99 PolarHBondContact O-N 3.03Å; W97-K99 PolarHBondContact O-N 3.37Å; K99-R124 WeakPolarHBondContact O-CB 3.39Å; K99-W131 HydrophobicContact CB-CH2 4.42Å |
| 100 | V | 88.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.7 | -39.8 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L90 L96 W97 P102 F123 R124 F125 V163 F189 | L90-V100 HydrophobicContact CD1-CG2 4.35Å; L90-V100 HydrophobicContact CD2-CB 4.23Å; L90-V100 HydrophobicContact CD2-CG1 4.36Å; L90-V100 HydrophobicContact CD2-CG2 3.96Å; L96-V100 PolarHBondContact O-N 2.93Å; W97-V100 CarbonylContact O-C 3.5Å; W97-V100 PolarHBondContact O-N 3.45Å; V100-P102 VanDerWaalsContact C-CD 3.43Å; V100-P102 WeakPolarHBondContact O-CD 3.37Å; V100-F123 CarbonylContact O-C 3.58Å; V100-F123 VanDerWaalsContact O-CA 3.31Å; V100-F123 WeakPolarHBondContact O-CA 3.29Å; V100-R124 WeakPolarHBondContact CA-O 3.21Å; V100-R124 PolarHBondContact O-N 3.31Å; V100-F125 HydrophobicContact CG1-CD1 4.37Å; V100-F125 HydrophobicContact CG1-CE1 3.96Å; V100-V163 HydrophobicContact CG1-CG2 4.24Å; V100-F189 HydrophobicContact CG1-CD1 4.48Å; V100-F189 HydrophobicContact CG2-CB 4.08Å; V100-F189 HydrophobicContact CG2-CD1 4.39Å; V100-F189 WeakPolarHBondContact CG2-O 3.43Å |
| 101 | I | 88.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -112.5 | 77.5 | 177.2 | -43 | -177.4 | 0 | 0 | 0 | 108.1 | L63 F64 I68 W97 Q98 W104 F123 W159 | L63-I101 HydrophobicContact CD2-CG2 4.46Å; F64-I101 HydrophobicContact CE1-CD1 4.14Å; F64-I101 HydrophobicContact CZ-CD1 3.85Å; F64-I101 HydrophobicContact CZ-CG2 4.16Å; I68-I101 HydrophobicContact CD1-CD1 3.86Å; W97-I101 HydrophobicContact CE3-CB 4.45Å; W97-I101 PolarHBondContact O-N 3.43Å; Q98-I101 CarbonylContact O-C 3.57Å; I101-W104 HydrophobicContact CG2-CB 4.1Å; I101-F123 HydrophobicContact CB-CD1 4.5Å; I101-F123 HydrophobicContact CB-CE1 4.49Å; I101-F123 HydrophobicContact CD1-CD1 4.48Å; I101-F123 HydrophobicContact CD1-CE1 4.02Å; I101-F123 HydrophobicContact CG1-CD1 3.86Å; I101-F123 HydrophobicContact CG1-CE1 3.84Å; I101-F123 HydrophobicContact CG2-CD1 4.42Å; I101-F123 HydrophobicContact CG2-CE1 4.08Å; I101-W159 HydrophobicContact CD1-CE3 4.21Å |
| 102 | P | 84.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 157.5 | 179.3 | 33.5 | -40.6 | 0 | 0 | 0 | 111.1 | V100 W104 Q107 H122 R124 | V100-P102 VanDerWaalsContact C-CD 3.43Å; V100-P102 WeakPolarHBondContact O-CD 3.37Å; P102-W104 PolarHBondContact O-N 3.01Å; P102-Q107 PolarHBondContact O-NE2 2.98Å; P102-H122 WeakPolarHBondContact CG-CE1 3.35Å; P102-R124 HydrophobicContact CG-CG 4Å |
| 103 | D | 82.9 | Confident | 81.5 | Confident | 82 Ų | 82 | 67 Ų | 67 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 29.6 | 167.9 | -50.8 | -46.6 | 0 | 0 | 0 | 113.8 | K105 E106 Q107 R124 | D103-K105 PolarHBondContact O-N 3.17Å; D103-K105 VanDerWaalsContact O-N 3.08Å; D103-E106 WeakPolarHBondContact O-CA 3.33Å; D103-E106 WeakPolarHBondContact O-CB 3.32Å; D103-E106 PolarHBondContact O-N 2.8Å; D103-Q107 PolarHBondContact O-N 3.28Å; D103-R124 IonicContact OD2-NH2 2.8Å |
| 104 | W | 79.9 | Confident | 81.1 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57 | -33.8 | -167.5 | 61 | -94.5 | 0 | 0 | 0 | 114 | L63 F64 W97 I101 P102 E106 Q107 E108 | L63-W104 HydrophobicContact CD2-CB 4.41Å; F64-W104 HydrophobicContact CD2-CD2 4.22Å; F64-W104 AromaticContact CD2-CE3 3.7Å; F64-W104 HydrophobicContact CD2-CE3 3.7Å; F64-W104 HydrophobicContact CD2-CZ3 4.24Å; F64-W104 HydrophobicContact CE2-CB 3.64Å; F64-W104 AromaticContact CE2-CD2 3.95Å; F64-W104 HydrophobicContact CE2-CD2 3.95Å; F64-W104 AromaticContact CE2-CE3 3.87Å; F64-W104 HydrophobicContact CE2-CE3 3.87Å; F64-W104 AromaticContact CE2-CG 3.88Å; F64-W104 HydrophobicContact CE2-CG 3.88Å; F64-W104 HydrophobicContact CZ-CB 4.4Å; W97-W104 AromaticContact CH2-CD1 3.92Å; W97-W104 HydrophobicContact CH2-CD2 4.44Å; W97-W104 HydrophobicContact CH2-CG 4.36Å; W97-W104 AromaticContact CH2-NE1 3.73Å; W97-W104 AromaticContact CZ3-CD1 3.68Å; W97-W104 HydrophobicContact CZ3-CG 4.09Å; W97-W104 AromaticContact CZ3-NE1 3.98Å; I101-W104 HydrophobicContact CG2-CB 4.1Å; P102-W104 PolarHBondContact O-N 3.01Å; W104-E106 PolarHBondContact O-N 3.46Å; W104-Q107 WeakPolarHBondContact O-CA 3.49Å; W104-Q107 WeakPolarHBondContact O-CB 3.32Å; W104-Q107 PolarHBondContact O-N 3.47Å; W104-E108 PolarHBondContact O-N 3.2Å |
| 105 | K | 81.1 | Confident | 80.7 | Confident | 155 Ų | 155 | 70.1 Ų | 70.1 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.4 | -30 | 174.9 | -66.2 | -173.6 | 178 | -173.5 | 0 | 113.3 | D103 | D103-K105 PolarHBondContact O-N 3.17Å; D103-K105 VanDerWaalsContact O-N 3.08Å |
| 106 | E | 79.8 | Confident | 80.6 | Confident | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -85 | -16.7 | 176.3 | -57.6 | -173.5 | 179.4 | 0 | 0 | 112.3 | K17 D103 W104 | K17-E106 PolarHBondContact NZ-O 3.27Å; D103-E106 WeakPolarHBondContact O-CA 3.33Å; D103-E106 WeakPolarHBondContact O-CB 3.32Å; D103-E106 PolarHBondContact O-N 2.8Å; W104-E106 PolarHBondContact O-N 3.46Å |
| 107 | Q | 83.3 | Confident | 80.6 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -88.6 | -21.5 | 176.3 | -56.9 | -162.5 | 61.7 | 0 | 0 | 112.2 | L63 P102 D103 W104 F121 H122 | L63-Q107 HydrophobicContact CD2-CB 4Å; P102-Q107 PolarHBondContact O-NE2 2.98Å; D103-Q107 PolarHBondContact O-N 3.28Å; W104-Q107 WeakPolarHBondContact O-CA 3.49Å; W104-Q107 WeakPolarHBondContact O-CB 3.32Å; W104-Q107 PolarHBondContact O-N 3.47Å; Q107-F121 HydrophobicContact CB-CD1 3.92Å; Q107-F121 HydrophobicContact CB-CE1 4.1Å; Q107-F121 WeakPolarHBondContact O-CE1 3.31Å; Q107-F121 VanDerWaalsContact OE1-CA 3.3Å; Q107-H122 VanDerWaalsContact CD-CD2 3.41Å; Q107-H122 PolarHBondContact NE2-CD2 3.39Å; Q107-H122 PolarHBondContact NE2-NE2 3.47Å; Q107-H122 PolarHBondContact NE2-O 3.37Å; Q107-H122 PolarHBondContact OE1-O 3.08Å |
| 108 | E | 82.6 | Confident | 80.7 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -59.3 | 149.9 | 179.7 | -169.5 | 56.3 | -86.7 | 0 | 0 | 113.2 | H62 L63 F64 W104 D110 | H62-E108 WeakPolarHBondContact CA-OE1 3.31Å; L63-E108 WeakPolarHBondContact CB-OE1 3.38Å; L63-E108 VanDerWaalsContact CB-OE2 3.3Å; L63-E108 WeakPolarHBondContact CB-OE2 3.38Å; L63-E108 PolarHBondContact N-OE1 3.05Å; L63-E108 PolarHBondContact N-OE2 3.24Å; F64-E108 PolarHBondContact N-OE2 3.12Å; F64-E108 VanDerWaalsContact N-OE2 3.16Å; W104-E108 PolarHBondContact O-N 3.2Å; E108-D110 PolarHBondContact O-N 3.5Å; E108-D110 VanDerWaalsContact O-N 3.1Å |
| 109 | W | 81 | Confident | 80.8 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 6% | 0.064 | 33% | 0.326 | C | S | . | . | trans | -73.6 | 96.6 | 171.9 | -72.3 | -88.5 | 0 | 0 | 0 | 110 | P54 P61 H62 L63 T111 Y117 F121 F158 L162 | P54-W109 HydrophobicContact CB-CH2 4.2Å; P54-W109 HydrophobicContact CB-CZ2 3.83Å; P54-W109 HydrophobicContact CG-CH2 3.97Å; P54-W109 HydrophobicContact CG-CZ2 3.72Å; P61-W109 HydrophobicContact CB-CD2 4.2Å; P61-W109 HydrophobicContact CB-CE3 4.47Å; P61-W109 HydrophobicContact CG-CD2 4.24Å; P61-W109 HydrophobicContact CG-CG 4.16Å; P61-W109 WeakPolarHBondContact O-CB 3.38Å; H62-W109 VanDerWaalsContact C-CE3 3.41Å; L63-W109 HydrophobicContact CB-CE3 4.28Å; L63-W109 HydrophobicContact CB-CZ3 3.98Å; L63-W109 HydrophobicContact CD1-CZ3 4.32Å; L63-W109 VanDerWaalsContact N-CE3 3.33Å; L63-W109 VanDerWaalsContact N-CZ3 3.29Å; W109-T111 PolarHBondContact O-N 3.49Å; W109-Y117 AromaticContact CD1-CD2 3.67Å; W109-Y117 AromaticContact CD1-CE2 3.8Å; W109-Y117 AromaticContact NE1-CD2 3.54Å; W109-Y117 AromaticContact NE1-CE2 3.17Å; W109-Y117 AromaticContact NE1-CZ 3.84Å; W109-F121 HydrophobicContact CD2-CZ 4.36Å; W109-F121 AromaticContact CE2-CZ 3.87Å; W109-F121 HydrophobicContact CE3-CZ 4.38Å; W109-F121 HydrophobicContact CH2-CE1 4.12Å; W109-F121 HydrophobicContact CH2-CE2 4.22Å; W109-F121 AromaticContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CE1 4.43Å; W109-F121 AromaticContact CZ2-CE2 3.91Å; W109-F121 HydrophobicContact CZ2-CE2 3.91Å; W109-F121 AromaticContact CZ2-CZ 3.44Å; W109-F121 HydrophobicContact CZ2-CZ 3.44Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.44Å; W109-F121 HydrophobicContact CZ3-CE1 4.26Å; W109-F121 AromaticContact CZ3-CZ 4Å; W109-F121 HydrophobicContact CZ3-CZ 4Å; W109-F158 HydrophobicContact CH2-CB 4.14Å; W109-F158 HydrophobicContact CZ3-CB 4.45Å; W109-L162 HydrophobicContact CH2-CD1 4.03Å | ||
| 110 | D | 76.6 | Confident | 80.9 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -81.8 | 105.5 | 178.9 | -170.3 | -14.8 | 0 | 0 | 0 | 110.8 | E108 E112 K113 | E108-D110 PolarHBondContact O-N 3.5Å; E108-D110 VanDerWaalsContact O-N 3.1Å; D110-E112 PolarHBondContact O-N 3.3Å; D110-E112 WeakPolarHBondContact OD1-CA 3.35Å; D110-E112 VanDerWaalsContact OD1-CB 3.3Å; D110-E112 WeakPolarHBondContact OD1-CB 3.27Å; D110-E112 PolarHBondContact OD1-N 2.97Å; D110-K113 HydrophobicContact CB-CB 4.17Å; D110-K113 CarbonylContact O-C 3.58Å; D110-K113 PolarHBondContact O-N 3.49Å; D110-K113 VanDerWaalsContact O-N 3.08Å; D110-K113 PolarHBondContact OD1-N 2.65Å; D110-K113 IonicContact OD2-NZ 3.31Å | ||
| 111 | T | 71.6 | Confident | 81.1 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24 | 175.2 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | W109 | W109-T111 PolarHBondContact O-N 3.49Š|
| 112 | E | 71.6 | Confident | 81.3 | Confident | 168 Ų | 168 | 61.4 Ų | 61.4 | 79% | 0.785 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -19.7 | 174.3 | -56.1 | -167.4 | 151.9 | 0 | 0 | 112.3 | D110 | D110-E112 PolarHBondContact O-N 3.3Å; D110-E112 WeakPolarHBondContact OD1-CA 3.35Å; D110-E112 VanDerWaalsContact OD1-CB 3.3Å; D110-E112 WeakPolarHBondContact OD1-CB 3.27Å; D110-E112 PolarHBondContact OD1-N 2.97Å |
| 113 | K | 75 | Confident | 81.7 | Confident | 124 Ų | 124 | 61.1 Ų | 61.1 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | trans | -135.1 | 68.2 | 179.1 | -60.8 | -179.5 | -163.7 | 126.6 | 0 | 112.1 | D110 D115 S116 | D110-K113 HydrophobicContact CB-CB 4.17Å; D110-K113 CarbonylContact O-C 3.58Å; D110-K113 PolarHBondContact O-N 3.49Å; D110-K113 VanDerWaalsContact O-N 3.08Å; D110-K113 PolarHBondContact OD1-N 2.65Å; D110-K113 IonicContact OD2-NZ 3.31Å; K113-D115 PolarHBondContact O-N 3.34Å; K113-D115 VanDerWaalsContact O-N 3.15Å; K113-S116 VanDerWaalsContact O-CB 3.32Å; K113-S116 WeakPolarHBondContact O-CB 2.96Å; K113-S116 PolarHBondContact O-N 2.95Å; K113-S116 PolarHBondContact O-OG 3.18Å | ||
| 114 | P | 73.8 | Confident | 82.2 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -59.4 | -29.9 | 178.9 | 23.1 | -33.2 | 0 | 0 | 0 | 112.8 | S116 Y117 | P114-S116 PolarHBondContact O-N 3.26Å; P114-S116 VanDerWaalsContact O-N 3.12Å; P114-Y117 PolarHBondContact O-N 3.06Å |
| 115 | D | 73.4 | Confident | 82.8 | Confident | 151 Ų | 151 | 56.8 Ų | 56.8 | 81% | 0.807 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -67.7 | -8.3 | 177 | -62.6 | -30.9 | 0 | 0 | 0 | 113.8 | L21 K113 | L21-D115 WeakPolarHBondContact CD2-O 3.29Å; K113-D115 PolarHBondContact O-N 3.34Å; K113-D115 VanDerWaalsContact O-N 3.15Å |
| 116 | S | 78.3 | Confident | 83.2 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -87.5 | -12 | 177.7 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | K17 K113 P114 | K17-S116 WeakPolarHBondContact CE-O 3.19Å; K113-S116 VanDerWaalsContact O-CB 3.32Å; K113-S116 WeakPolarHBondContact O-CB 2.96Å; K113-S116 PolarHBondContact O-N 2.95Å; K113-S116 PolarHBondContact O-OG 3.18Å; P114-S116 PolarHBondContact O-N 3.26Å; P114-S116 VanDerWaalsContact O-N 3.12Å |
| 117 | Y | 84.5 | Confident | 83.6 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | trans | -85.3 | 129.3 | 177.8 | 170.6 | -100.9 | 0 | 0 | 0 | 111.1 | L26 W109 P114 G119 F121 D138 | L26-Y117 HydrophobicContact CD2-CD1 3.96Å; L26-Y117 HydrophobicContact CD2-CE1 3.54Å; W109-Y117 AromaticContact CD1-CD2 3.67Å; W109-Y117 AromaticContact CD1-CE2 3.8Å; W109-Y117 AromaticContact NE1-CD2 3.54Å; W109-Y117 AromaticContact NE1-CE2 3.17Å; W109-Y117 AromaticContact NE1-CZ 3.84Å; P114-Y117 PolarHBondContact O-N 3.06Å; Y117-G119 VanDerWaalsContact CE2-CA 3.48Å; Y117-G119 VanDerWaalsContact CZ-CA 3.46Å; Y117-F121 HydrophobicContact CE2-CE2 4.4Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.39Å; Y117-D138 VanDerWaalsContact CZ-OD2 3.31Å; Y117-D138 PolarHBondContact OH-OD1 2.74Å; Y117-D138 PolarHBondContact OH-OD2 2.99Å | ||
| 118 | A | 85.6 | Confident | 83.7 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -129.6 | 16.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L21 F27 I120 | L21-A118 HydrophobicContact CD2-CB 3.89Å; L21-A118 HydrophobicContact CG-CB 4.07Å; F27-A118 WeakPolarHBondContact CB-O 3.49Å; F27-A118 PolarHBondContact N-O 3.26Å; A118-I120 VanDerWaalsContact C-N 3.27Å; A118-I120 HydrophobicContact CB-CG2 3.95Å; A118-I120 PolarHBondContact O-N 2.89Å | ||
| 119 | G | 87.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 60.5 | 33.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y117 D137 D138 | Y117-G119 VanDerWaalsContact CE2-CA 3.48Å; Y117-G119 VanDerWaalsContact CZ-CA 3.46Å; G119-D137 VanDerWaalsContact O-CA 3.3Å; G119-D137 WeakPolarHBondContact O-CA 3.47Å; G119-D138 PolarHBondContact O-N 3.36Å |
| 120 | I | 90.1 | Very high | 84.2 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.9 | -174.3 | -173 | 173.8 | 0 | 0 | 0 | 110.3 | Y13 L16 K17 F27 A118 V135 I136 | Y13-I120 HydrophobicContact CD2-CD1 4.14Å; Y13-I120 HydrophobicContact CD2-CG1 4.03Å; Y13-I120 HydrophobicContact CE2-CG1 4.14Å; Y13-I120 HydrophobicContact CE2-CG2 4.11Å; L16-I120 HydrophobicContact CB-CD1 3.63Å; K17-I120 HydrophobicContact CB-CG2 3.98Å; K17-I120 HydrophobicContact CD-CG2 4.34Å; K17-I120 HydrophobicContact CG-CG2 4.03Å; F27-I120 HydrophobicContact CB-CB 3.83Å; F27-I120 HydrophobicContact CB-CG1 4.41Å; F27-I120 HydrophobicContact CD1-CB 3.92Å; F27-I120 HydrophobicContact CD1-CD1 4.02Å; F27-I120 HydrophobicContact CD1-CG1 3.68Å; F27-I120 HydrophobicContact CD2-CD1 4.38Å; F27-I120 HydrophobicContact CE1-CD1 4.32Å; F27-I120 HydrophobicContact CE1-CG1 4.15Å; F27-I120 HydrophobicContact CG-CB 4.06Å; F27-I120 HydrophobicContact CG-CD1 4.06Å; F27-I120 HydrophobicContact CG-CG1 4.08Å; A118-I120 VanDerWaalsContact C-N 3.27Å; A118-I120 HydrophobicContact CB-CG2 3.95Å; A118-I120 PolarHBondContact O-N 2.89Å; I120-V135 HydrophobicContact CD1-CG1 3.62Å; I120-V135 HydrophobicContact CG1-CG1 3.58Å; I120-I136 WeakPolarHBondContact CA-O 2.95Å |
| 121 | F | 91.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.4 | 179.8 | -67.5 | -96.2 | 0 | 0 | 0 | 109.8 | L63 Q107 W109 Y117 F123 V135 I136 D138 L162 | L63-F121 HydrophobicContact CD1-CD1 4.16Å; L63-F121 HydrophobicContact CD1-CE1 3.96Å; Q107-F121 HydrophobicContact CB-CD1 3.92Å; Q107-F121 HydrophobicContact CB-CE1 4.1Å; Q107-F121 WeakPolarHBondContact O-CE1 3.31Å; Q107-F121 VanDerWaalsContact OE1-CA 3.3Å; W109-F121 HydrophobicContact CD2-CZ 4.36Å; W109-F121 AromaticContact CE2-CZ 3.87Å; W109-F121 HydrophobicContact CE3-CZ 4.38Å; W109-F121 HydrophobicContact CH2-CE1 4.12Å; W109-F121 HydrophobicContact CH2-CE2 4.22Å; W109-F121 AromaticContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CE1 4.43Å; W109-F121 AromaticContact CZ2-CE2 3.91Å; W109-F121 HydrophobicContact CZ2-CE2 3.91Å; W109-F121 AromaticContact CZ2-CZ 3.44Å; W109-F121 HydrophobicContact CZ2-CZ 3.44Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.44Å; W109-F121 HydrophobicContact CZ3-CE1 4.26Å; W109-F121 AromaticContact CZ3-CZ 4Å; W109-F121 HydrophobicContact CZ3-CZ 4Å; Y117-F121 HydrophobicContact CE2-CE2 4.4Å; F121-F123 HydrophobicContact CB-CE2 4.04Å; F121-V135 CarbonylContact O-C 3.52Å; F121-V135 WeakPolarHBondContact O-CA 3.39Å; F121-I136 HydrophobicContact CB-CG1 4.04Å; F121-I136 PolarHBondContact N-O 3.49Å; F121-I136 PolarHBondContact O-N 2.79Å; F121-D138 HydrophobicContact CD2-CB 3.84Å; F121-D138 HydrophobicContact CE2-CB 3.62Å; F121-L162 HydrophobicContact CD1-CD1 4.02Å; F121-L162 HydrophobicContact CD2-CD1 4.23Å; F121-L162 HydrophobicContact CE1-CD1 4.11Å; F121-L162 HydrophobicContact CE2-CD1 4.34Å; F121-L162 HydrophobicContact CG-CD1 4.09Å; F121-L162 HydrophobicContact CZ-CD1 4.28Å |
| 122 | H | 92.8 | Very high | 85.8 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.5 | 174.1 | 77.4 | 126.8 | 0 | 0 | 0 | 113.6 | Y13 P102 Q107 D133 V134 V135 | Y13-H122 AromaticContact CD1-CD2 3.53Å; Y13-H122 AromaticContact CD1-CE1 3.85Å; Y13-H122 AromaticContact CD1-CG 3.97Å; Y13-H122 AromaticContact CD1-NE2 3.46Å; Y13-H122 WeakPolarHBondContact CD1-NE2 3.47Å; Y13-H122 HydrophobicContact CD2-CB 3.9Å; Y13-H122 AromaticContact CD2-CD2 3.7Å; Y13-H122 AromaticContact CD2-CG 3.87Å; Y13-H122 AromaticContact CE1-CD2 3.63Å; Y13-H122 AromaticContact CE1-NE2 3.55Å; Y13-H122 AromaticContact CE2-CD2 3.81Å; Y13-H122 HydrophobicContact CG-CB 4.01Å; Y13-H122 AromaticContact CG-CD2 3.56Å; Y13-H122 AromaticContact CG-CG 3.62Å; Y13-H122 AromaticContact CG-NE2 3.95Å; Y13-H122 AromaticContact CZ-CD2 3.76Å; P102-H122 WeakPolarHBondContact CG-CE1 3.35Å; Q107-H122 VanDerWaalsContact CD-CD2 3.41Å; Q107-H122 PolarHBondContact NE2-CD2 3.39Å; Q107-H122 PolarHBondContact NE2-NE2 3.47Å; Q107-H122 PolarHBondContact NE2-O 3.37Å; Q107-H122 PolarHBondContact OE1-O 3.08Å; H122-D133 IonicContact CE1-OD1 2.58Å; H122-D133 IonicContact CG-OD1 3.23Å; H122-D133 IonicContact ND1-OD1 2.75Å; H122-D133 PolarHBondContact ND1-OD1 2.82Å; H122-D133 IonicContact ND1-OD2 3.01Å; H122-D133 PolarHBondContact ND1-OD2 2.84Å; H122-V134 CarbonylContact C-O 3.48Å; H122-V134 WeakPolarHBondContact CA-O 3.36Å; H122-V135 HydrophobicContact CB-CG2 4.22Å |
| 123 | F | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.9 | -175.6 | -62 | -89.6 | 0 | 0 | 0 | 110 | V100 I101 F121 F125 V134 I136 L162 V163 A166 | V100-F123 CarbonylContact O-C 3.58Å; V100-F123 VanDerWaalsContact O-CA 3.31Å; V100-F123 WeakPolarHBondContact O-CA 3.29Å; I101-F123 HydrophobicContact CB-CD1 4.5Å; I101-F123 HydrophobicContact CB-CE1 4.49Å; I101-F123 HydrophobicContact CD1-CD1 4.48Å; I101-F123 HydrophobicContact CD1-CE1 4.02Å; I101-F123 HydrophobicContact CG1-CD1 3.86Å; I101-F123 HydrophobicContact CG1-CE1 3.84Å; I101-F123 HydrophobicContact CG2-CD1 4.42Å; I101-F123 HydrophobicContact CG2-CE1 4.08Å; F121-F123 HydrophobicContact CB-CE2 4.04Å; F123-F125 HydrophobicContact CB-CE2 3.88Å; F123-F125 HydrophobicContact CB-CZ 3.87Å; F123-V134 PolarHBondContact N-O 3.32Å; F123-V134 PolarHBondContact O-N 3.37Å; F123-I136 HydrophobicContact CD2-CD1 4.2Å; F123-I136 HydrophobicContact CD2-CG1 4.3Å; F123-I136 HydrophobicContact CE2-CD1 3.73Å; F123-I136 HydrophobicContact CE2-CG1 4.07Å; F123-L162 HydrophobicContact CE2-CB 4Å; F123-L162 HydrophobicContact CZ-CB 3.69Å; F123-V163 HydrophobicContact CD1-CB 4.07Å; F123-V163 HydrophobicContact CD1-CG2 3.64Å; F123-V163 HydrophobicContact CE1-CB 3.84Å; F123-V163 HydrophobicContact CE1-CG2 3.92Å; F123-V163 HydrophobicContact CG-CG2 4.31Å; F123-V163 HydrophobicContact CZ-CB 4.41Å; F123-A166 HydrophobicContact CB-CB 3.93Å; F123-A166 HydrophobicContact CD2-CB 3.44Å; F123-A166 VanDerWaalsContact CD2-CB 3.44Å; F123-A166 HydrophobicContact CE2-CB 4.23Å; F123-A166 HydrophobicContact CG-CB 3.86Å |
| 124 | R | 93.4 | Very high | 87.7 | Confident | 67 Ų | 67 | 31.3 Ų | 31.3 | 25% | 0.253 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.6 | 179.4 | -64.9 | 177 | -176.6 | 160.5 | 11 | 110.6 | V5 K99 V100 P102 D103 W131 V132 D133 | V5-R124 HydrophobicContact CG1-CG 4.37Å; K99-R124 WeakPolarHBondContact O-CB 3.39Å; V100-R124 WeakPolarHBondContact CA-O 3.21Å; V100-R124 PolarHBondContact O-N 3.31Å; P102-R124 HydrophobicContact CG-CG 4Å; D103-R124 IonicContact OD2-NH2 2.8Å; R124-W131 HydrophobicContact CB-CE3 4.07Å; R124-V132 VanDerWaalsContact CA-O 3.32Å; R124-V132 WeakPolarHBondContact CA-O 3.49Å; R124-D133 HydrophobicContact CG-CB 4.48Å; R124-D133 WeakPolarHBondContact CG-OD1 3.41Å; R124-D133 IonicContact NE-OD1 2.7Å |
| 125 | F | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.4 | 173.9 | -56.1 | -68.2 | 0 | 0 | 0 | 110.3 | V100 F123 R127 V132 V134 V163 A166 Y167 V170 F189 | V100-F125 HydrophobicContact CG1-CD1 4.37Å; V100-F125 HydrophobicContact CG1-CE1 3.96Å; F123-F125 HydrophobicContact CB-CE2 3.88Å; F123-F125 HydrophobicContact CB-CZ 3.87Å; F125-R127 HydrophobicContact CB-CG 4.33Å; F125-R127 PolarHBondContact O-N 3.1Å; F125-V132 PolarHBondContact N-O 3.32Å; F125-V132 PolarHBondContact O-N 2.77Å; F125-V134 HydrophobicContact CD2-CB 4.44Å; F125-V134 HydrophobicContact CD2-CG2 3.87Å; F125-V134 HydrophobicContact CE2-CB 4.42Å; F125-V134 HydrophobicContact CE2-CG2 4.3Å; F125-V163 HydrophobicContact CE1-CG2 4.15Å; F125-V163 HydrophobicContact CZ-CG2 4.02Å; F125-A166 HydrophobicContact CE2-CB 3.78Å; F125-A166 HydrophobicContact CZ-CB 4.02Å; F125-Y167 HydrophobicContact CD1-CD2 4.04Å; F125-Y167 HydrophobicContact CD1-CE2 4.45Å; F125-Y167 AromaticContact CE1-CD2 3.94Å; F125-Y167 HydrophobicContact CE1-CD2 3.94Å; F125-Y167 HydrophobicContact CE2-CD2 4.41Å; F125-Y167 HydrophobicContact CG-CD2 4.34Å; F125-Y167 HydrophobicContact CZ-CD2 4.12Å; F125-V170 HydrophobicContact CD2-CG2 4.06Å; F125-V170 HydrophobicContact CE2-CG2 4.48Å; F125-F189 AromaticContact CD1-CD1 3.99Å; F125-F189 HydrophobicContact CD1-CD1 3.99Å; F125-F189 AromaticContact CD1-CE1 3.99Å; F125-F189 HydrophobicContact CD1-CE1 3.99Å; F125-F189 HydrophobicContact CE1-CD1 4.09Å; F125-F189 AromaticContact CE1-CE1 3.74Å; F125-F189 HydrophobicContact CE1-CE1 3.74Å |
| 126 | W | 90.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 19.8 Ų | 19.8 | 6% | 0.057 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121.9 | 172.3 | -171.7 | 93 | 0 | 0 | 0 | 109.7 | E130 W131 V187 D188 G191 Q407 L485 | W126-E130 CarbonylContact C-O 3.54Å; W126-W131 HydrophobicContact CB-CD2 4.19Å; W126-W131 HydrophobicContact CB-CE3 4.1Å; W126-W131 HydrophobicContact CB-CH2 4.18Å; W126-W131 HydrophobicContact CB-CZ2 4.25Å; W126-W131 HydrophobicContact CB-CZ3 4.1Å; W126-W131 AromaticContact CD1-CE2 3.9Å; W126-W131 AromaticContact CD1-NE1 3.8Å; W126-V187 HydrophobicContact CE3-CG1 3.56Å; W126-V187 HydrophobicContact CH2-CG1 4.36Å; W126-V187 HydrophobicContact CZ3-CG1 3.42Å; W126-V187 VanDerWaalsContact CZ3-CG1 3.42Å; W126-D188 PolarHBondContact N-O 2.84Å; W126-D188 WeakPolarHBondContact O-CA 3.43Å; W126-G191 VanDerWaalsContact CD1-CA 3.48Å; W126-Q407 VanDerWaalsContact CH2-OE1 3.28Å; W126-Q407 VanDerWaalsContact CZ3-OE1 3.23Å; W126-L485 HydrophobicContact CH2-CD2 4.11Å; W126-L485 HydrophobicContact CZ2-CD2 4.41Å |
| 127 | R | 87.3 | Confident | 90.3 | Very high | 43 Ų | 43 | 18 Ų | 18 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 116.6 | -175.6 | -63 | -68.1 | -67.5 | -177.1 | -2.5 | 109.4 | F125 G129 E130 V132 Y171 D188 E410 R456 | F125-R127 HydrophobicContact CB-CG 4.33Å; F125-R127 PolarHBondContact O-N 3.1Å; R127-G129 VanDerWaalsContact C-N 3.3Å; R127-G129 PolarHBondContact O-N 3.17Å; R127-E130 PolarHBondContact N-O 3.31Å; R127-E130 PolarHBondContact O-N 2.96Å; R127-E130 VanDerWaalsContact O-N 3.07Å; R127-V132 HydrophobicContact CB-CG2 3.89Å; R127-V132 HydrophobicContact CG-CB 4.46Å; R127-V132 HydrophobicContact CG-CG2 4.25Å; R127-Y171 PolarHBondContact NH1-OH 2.91Å; R127-D188 IonicContact NH1-OD2 3.59Å; R127-D188 PolarHBondContact NH1-OD2 2.75Å; R127-D188 VanDerWaalsContact NH1-OD2 3.1Å; R127-E410 IonicContact CZ-OE1 3.17Å; R127-E410 IonicContact CZ-OE2 3.98Å; R127-E410 VanDerWaalsContact CZ-OE2 3.3Å; R127-E410 VanDerWaalsContact NH1-CD 3.31Å; R127-E410 IonicContact NH1-OE1 3.32Å; R127-E410 PolarHBondContact NH1-OE1 3.49Å; R127-E410 IonicContact NH1-OE2 3.94Å; R127-E410 PolarHBondContact NH1-OE2 2.83Å; R127-E410 VanDerWaalsContact NH1-OE2 3.09Å; R127-E410 VanDerWaalsContact NH2-CD 3.27Å; R127-E410 IonicContact NH2-OE1 2.72Å; R127-E410 IonicContact NH2-OE2 3.11Å; R127-E410 PolarHBondContact NH2-OE2 2.77Å; R127-R456 VanDerWaalsContact NH1-NH1 3.12Å |
| 128 | F | 85.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 16.1 Ų | 16.1 | 15% | 0.149 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 46.4 | 170.6 | -159.8 | -110 | 0 | 0 | 0 | 113.5 | R360 K409 E483 F484 L485 | F128-R360 VanDerWaalsContact CD1-NH1 3.3Å; F128-R360 PolarHBondContact O-NH1 2.87Å; F128-R360 PolarHBondContact O-NH2 3.01Å; F128-R360 VanDerWaalsContact O-NH2 3.16Å; F128-K409 HydrophobicContact CD2-CB 3.96Å; F128-K409 HydrophobicContact CD2-CG 4.39Å; F128-K409 HydrophobicContact CE1-CB 4.35Å; F128-K409 HydrophobicContact CE1-CD 4.43Å; F128-K409 HydrophobicContact CE2-CB 3.65Å; F128-K409 HydrophobicContact CE2-CG 4.47Å; F128-K409 HydrophobicContact CG-CB 4.43Å; F128-K409 HydrophobicContact CG-CG 4.41Å; F128-K409 HydrophobicContact CZ-CB 3.85Å; F128-E483 HydrophobicContact CZ-CB 4.16Å; F128-F484 WeakPolarHBondContact CZ-O 3.41Å; F128-L485 HydrophobicContact CD2-CB 4.08Å; F128-L485 HydrophobicContact CE2-CB 3.74Å; F128-L485 HydrophobicContact CZ-CB 4.03Å |
| 129 | G | 84.7 | Confident | 91 | Very high | 30 Ų | 30 | 17.6 Ų | 17.6 | 31% | 0.309 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -5.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R127 | R127-G129 VanDerWaalsContact C-N 3.3Å; R127-G129 PolarHBondContact O-N 3.17Å |
| 130 | E | 89 | Confident | 91.2 | Very high | 66 Ų | 66 | 17.7 Ų | 17.7 | 31% | 0.308 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.7 | -174.4 | -75.5 | 165.5 | -164.4 | 0 | 0 | 111.6 | K6 W126 R127 R360 | K6-E130 IonicContact NZ-OE2 3.53Å; W126-E130 CarbonylContact C-O 3.54Å; R127-E130 PolarHBondContact N-O 3.31Å; R127-E130 PolarHBondContact O-N 2.96Å; R127-E130 VanDerWaalsContact O-N 3.07Å; E130-R360 VanDerWaalsContact CD-NH2 3.31Å; E130-R360 IonicContact OE1-CZ 3.72Å; E130-R360 IonicContact OE1-NH2 3.84Å; E130-R360 PolarHBondContact OE1-NH2 3.22Å |
| 131 | W | 90.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 17.5 Ų | 17.5 | 12% | 0.121 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.9 | 167.9 | -73.6 | 95.6 | 0 | 0 | 0 | 109.6 | V5 K6 K99 R124 W126 F189 | V5-W131 CarbonylContact C-O 3.59Å; V5-W131 WeakPolarHBondContact CA-O 3.4Å; V5-W131 HydrophobicContact CG1-CB 4.3Å; V5-W131 HydrophobicContact CG2-CB 4.25Å; K6-W131 PolarHBondContact N-O 2.71Å; K99-W131 HydrophobicContact CB-CH2 4.42Å; R124-W131 HydrophobicContact CB-CE3 4.07Å; W126-W131 HydrophobicContact CB-CD2 4.19Å; W126-W131 HydrophobicContact CB-CE3 4.1Å; W126-W131 HydrophobicContact CB-CH2 4.18Å; W126-W131 HydrophobicContact CB-CZ2 4.25Å; W126-W131 HydrophobicContact CB-CZ3 4.1Å; W126-W131 AromaticContact CD1-CE2 3.9Å; W126-W131 AromaticContact CD1-NE1 3.8Å; W131-F189 WeakPolarHBondContact CH2-O 3.48Å |
| 132 | V | 91.4 | Very high | 91 | Very high | 17 Ų | 17 | 17.5 Ų | 17.5 | 10% | 0.103 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.2 | -178.2 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | K6 F8 R124 F125 R127 V134 | K6-V132 CarbonylContact O-C 3.56Å; K6-V132 VanDerWaalsContact O-CA 3.27Å; K6-V132 WeakPolarHBondContact O-CA 3.27Å; F8-V132 HydrophobicContact CB-CG1 3.79Å; F8-V132 HydrophobicContact CD2-CG1 3.87Å; F8-V132 HydrophobicContact CG-CG1 4.33Å; R124-V132 VanDerWaalsContact CA-O 3.32Å; R124-V132 WeakPolarHBondContact CA-O 3.49Å; F125-V132 PolarHBondContact N-O 3.32Å; F125-V132 PolarHBondContact O-N 2.77Å; R127-V132 HydrophobicContact CB-CG2 3.89Å; R127-V132 HydrophobicContact CG-CB 4.46Å; R127-V132 HydrophobicContact CG-CG2 4.25Å; V132-V134 HydrophobicContact CG1-CG2 4.28Å |
| 133 | D | 93.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 19 Ų | 19 | 10% | 0.102 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117 | 177.5 | -163.1 | 44.8 | 0 | 0 | 0 | 109.9 | V5 K6 F8 H122 R124 | V5-D133 HydrophobicContact CG1-CB 3.7Å; K6-D133 PolarHBondContact O-N 3.33Å; F8-D133 WeakPolarHBondContact CB-O 3.49Å; F8-D133 PolarHBondContact N-O 2.8Å; H122-D133 IonicContact CE1-OD1 2.58Å; H122-D133 IonicContact CG-OD1 3.23Å; H122-D133 IonicContact ND1-OD1 2.75Å; H122-D133 PolarHBondContact ND1-OD1 2.82Å; H122-D133 IonicContact ND1-OD2 3.01Å; H122-D133 PolarHBondContact ND1-OD2 2.84Å; R124-D133 HydrophobicContact CG-CB 4.48Å; R124-D133 WeakPolarHBondContact CG-OD1 3.41Å; R124-D133 IonicContact NE-OD1 2.7Å |
| 134 | V | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.6 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F8 H122 F123 F125 V132 I136 A166 K169 V170 | F8-V134 HydrophobicContact CB-CB 4.47Å; F8-V134 HydrophobicContact CB-CG2 4Å; F8-V134 HydrophobicContact CD2-CG2 4.32Å; F8-V134 HydrophobicContact CG-CG2 4.16Å; H122-V134 CarbonylContact C-O 3.48Å; H122-V134 WeakPolarHBondContact CA-O 3.36Å; F123-V134 PolarHBondContact N-O 3.32Å; F123-V134 PolarHBondContact O-N 3.37Å; F125-V134 HydrophobicContact CD2-CB 4.44Å; F125-V134 HydrophobicContact CD2-CG2 3.87Å; F125-V134 HydrophobicContact CE2-CB 4.42Å; F125-V134 HydrophobicContact CE2-CG2 4.3Å; V132-V134 HydrophobicContact CG1-CG2 4.28Å; V134-I136 HydrophobicContact CG1-CG2 4.33Å; V134-A166 HydrophobicContact CG1-CB 4.33Å; V134-K169 HydrophobicContact CG1-CD 3.94Å; V134-K169 HydrophobicContact CG1-CG 4.36Å; V134-V170 HydrophobicContact CG1-CG2 4.32Å; V134-V170 HydrophobicContact CG2-CG2 3.55Å |
| 135 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 137 | 176 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Q11 L16 F27 I120 F121 H122 K169 | Q11-V135 HydrophobicContact CB-CB 4.34Å; Q11-V135 HydrophobicContact CB-CG2 4.2Å; L16-V135 HydrophobicContact CD1-CG1 4.24Å; F27-V135 HydrophobicContact CE1-CG1 3.96Å; F27-V135 HydrophobicContact CZ-CG1 4.27Å; I120-V135 HydrophobicContact CD1-CG1 3.62Å; I120-V135 HydrophobicContact CG1-CG1 3.58Å; F121-V135 CarbonylContact O-C 3.52Å; F121-V135 WeakPolarHBondContact O-CA 3.39Å; H122-V135 HydrophobicContact CB-CG2 4.22Å; V135-K169 PolarHBondContact O-NZ 2.75Å |
| 136 | I | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159 | 174.3 | 61.6 | 165.3 | 0 | 0 | 0 | 111.1 | I120 F121 F123 V134 L162 K165 A166 K169 | I120-I136 WeakPolarHBondContact CA-O 2.95Å; F121-I136 HydrophobicContact CB-CG1 4.04Å; F121-I136 PolarHBondContact N-O 3.49Å; F121-I136 PolarHBondContact O-N 2.79Å; F123-I136 HydrophobicContact CD2-CD1 4.2Å; F123-I136 HydrophobicContact CD2-CG1 4.3Å; F123-I136 HydrophobicContact CE2-CD1 3.73Å; F123-I136 HydrophobicContact CE2-CG1 4.07Å; V134-I136 HydrophobicContact CG1-CG2 4.33Å; I136-L162 HydrophobicContact CD1-CB 4.18Å; I136-L162 HydrophobicContact CD1-CD2 4.01Å; I136-L162 VanDerWaalsContact CD1-O 3.23Å; I136-L162 WeakPolarHBondContact CD1-O 3.29Å; I136-K165 HydrophobicContact CD1-CB 4.09Å; I136-K165 HydrophobicContact CD1-CD 4.16Å; I136-K165 HydrophobicContact CD1-CG 4.24Å; I136-A166 HydrophobicContact CD1-CB 4.18Å; I136-A166 HydrophobicContact CG2-CB 3.92Å; I136-K169 HydrophobicContact CG2-CD 3.96Å |
| 137 | D | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 168.2 | 158.2 | 70.6 | 57.1 | 0 | 0 | 0 | 111.1 | F27 D29 G119 R139 K165 | F27-D137 HydrophobicContact CD1-CB 3.73Å; F27-D137 HydrophobicContact CE1-CB 4.31Å; F27-D137 WeakPolarHBondContact O-CB 3.44Å; D29-D137 HydrophobicContact CB-CB 4.4Å; D29-D137 VanDerWaalsContact CB-OD2 3.27Å; D29-D137 WeakPolarHBondContact CB-OD2 3.49Å; D29-D137 PolarHBondContact N-OD2 2.94Å; G119-D137 VanDerWaalsContact O-CA 3.3Å; G119-D137 WeakPolarHBondContact O-CA 3.47Å; D137-R139 VanDerWaalsContact OD1-CB 3.25Å; D137-R139 WeakPolarHBondContact OD1-CB 3.15Å; D137-R139 WeakPolarHBondContact OD1-CG 3.23Å; D137-R139 PolarHBondContact OD1-N 3.2Å; D137-R139 IonicContact OD1-NE 3.22Å; D137-R139 PolarHBondContact OD1-NE 3.31Å; D137-R139 IonicContact OD2-CZ 3.29Å; D137-R139 VanDerWaalsContact OD2-CZ 3.29Å; D137-R139 IonicContact OD2-NE 3.11Å; D137-R139 PolarHBondContact OD2-NE 3.1Å; D137-R139 VanDerWaalsContact OD2-NE 3.11Å; D137-R139 IonicContact OD2-NH2 2.69Å; D137-R139 PolarHBondContact OD2-NH2 3.07Å; D137-K165 WeakPolarHBondContact O-CE 3.38Å; D137-K165 PolarHBondContact O-NZ 2.97Å; D137-K165 IonicContact OD1-NZ 3.9Å; D137-K165 PolarHBondContact OD1-NZ 2.96Å |
| 138 | D | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -95.8 | 15.3 | -178.5 | 66.4 | -5.9 | 0 | 0 | 0 | 114.9 | R53 P54 Y117 G119 F121 L140 L162 | R53-D138 VanDerWaalsContact CD-OD1 3.31Å; R53-D138 WeakPolarHBondContact CD-OD1 3.32Å; R53-D138 WeakPolarHBondContact CG-OD1 3.46Å; R53-D138 IonicContact CZ-OD1 2.72Å; R53-D138 IonicContact NE-OD1 3.76Å; R53-D138 IonicContact NH1-OD1 3.57Å; R53-D138 PolarHBondContact NH1-OD1 3.03Å; P54-D138 WeakPolarHBondContact CD-O 3.45Å; P54-D138 HydrophobicContact CG-CB 4.45Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.39Å; Y117-D138 VanDerWaalsContact CZ-OD2 3.31Å; Y117-D138 PolarHBondContact OH-OD1 2.74Å; Y117-D138 PolarHBondContact OH-OD2 2.99Å; G119-D138 PolarHBondContact O-N 3.36Å; F121-D138 HydrophobicContact CD2-CB 3.84Å; F121-D138 HydrophobicContact CE2-CB 3.62Å; D138-L140 PolarHBondContact O-N 2.68Å; D138-L162 HydrophobicContact CB-CD2 3.92Å | ||
| 139 | R | 91.9 | Very high | 88.9 | Confident | 34 Ų | 34 | 33.3 Ų | 33.3 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | trans | -69.5 | 120.6 | 172.8 | -61.3 | 177 | -69.9 | -170.5 | 0.5 | 109.5 | E28 W51 K52 R53 D137 K165 | E28-R139 IonicContact OE2-NH1 3.54Å; W51-R139 HydrophobicContact CB-CB 4.35Å; W51-R139 HydrophobicContact CE3-CB 3.98Å; W51-R139 VanDerWaalsContact CZ3-O 3.28Å; W51-R139 WeakPolarHBondContact CZ3-O 3.21Å; K52-R139 CarbonylContact O-C 3.5Å; K52-R139 WeakPolarHBondContact O-CA 3.39Å; R53-R139 HydrophobicContact CG-CG 3.95Å; D137-R139 VanDerWaalsContact OD1-CB 3.25Å; D137-R139 WeakPolarHBondContact OD1-CB 3.15Å; D137-R139 WeakPolarHBondContact OD1-CG 3.23Å; D137-R139 PolarHBondContact OD1-N 3.2Å; D137-R139 IonicContact OD1-NE 3.22Å; D137-R139 PolarHBondContact OD1-NE 3.31Å; D137-R139 IonicContact OD2-CZ 3.29Å; D137-R139 VanDerWaalsContact OD2-CZ 3.29Å; D137-R139 IonicContact OD2-NE 3.11Å; D137-R139 PolarHBondContact OD2-NE 3.1Å; D137-R139 VanDerWaalsContact OD2-NE 3.11Å; D137-R139 IonicContact OD2-NH2 2.69Å; D137-R139 PolarHBondContact OD2-NH2 3.07Å; R139-K165 WeakPolarHBondContact O-CE 3.3Å; R139-K165 PolarHBondContact O-NZ 3.38Å | ||
| 140 | L | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.9 | 179.3 | -65.2 | 170.5 | 0 | 0 | 0 | 110.6 | W51 K52 P54 D138 L147 F158 A161 L162 K165 | W51-L140 WeakPolarHBondContact CA-O 3.41Å; K52-L140 PolarHBondContact N-O 3.1Å; K52-L140 PolarHBondContact O-N 3.37Å; P54-L140 HydrophobicContact CG-CD1 4.39Å; D138-L140 PolarHBondContact O-N 2.68Å; L140-L147 HydrophobicContact CB-CD2 3.58Å; L140-L147 HydrophobicContact CD1-CD2 3.78Å; L140-L147 HydrophobicContact CG-CD2 4.28Å; L140-F158 HydrophobicContact CD1-CD1 3.92Å; L140-A161 HydrophobicContact CD1-CB 3.67Å; L140-A161 HydrophobicContact CD2-CB 3.9Å; L140-A161 HydrophobicContact CG-CB 4.43Å; L140-L162 HydrophobicContact CD2-CD2 4.2Å; L140-K165 HydrophobicContact CD2-CD 4.28Å |
| 141 | P | 90.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.3 | 178.8 | 28.3 | -31.4 | 0 | 0 | 0 | 111.2 | L39 V49 V148 Y149 Y174 | L39-P141 HydrophobicContact CD2-CB 3.8Å; L39-P141 HydrophobicContact CD2-CG 4.03Å; V49-P141 HydrophobicContact CG1-CB 3.6Å; P141-V148 PolarHBondContact O-N 3.35Å; P141-Y149 HydrophobicContact CB-CD2 4.44Å; P141-Y149 HydrophobicContact CB-CE2 4.16Å; P141-Y149 HydrophobicContact CG-CD2 3.36Å; P141-Y149 HydrophobicContact CG-CE2 3.4Å; P141-Y174 HydrophobicContact CG-CE2 4.41Å |
| 142 | T | 87.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.7 | -178 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | V50 K52 L57 Q146 L147 | V50-T142 PolarHBondContact N-O 3.21Å; V50-T142 WeakPolarHBondContact O-CA 3.48Å; V50-T142 PolarHBondContact O-N 2.98Å; V50-T142 PolarHBondContact O-OG1 2.64Å; K52-T142 HydrophobicContact CB-CG2 4.3Å; L57-T142 HydrophobicContact CD1-CG2 4.02Å; L57-T142 HydrophobicContact CD2-CG2 4.12Å; T142-Q146 CarbonylContact C-O 3.58Å; T142-Q146 WeakPolarHBondContact CA-O 3.47Å; T142-Q146 VanDerWaalsContact CB-O 3.29Å; T142-Q146 WeakPolarHBondContact CB-O 3.4Å; T142-L147 HydrophobicContact CG2-CD2 4.1Å |
| 143 | V | 85.7 | Confident | 87.6 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.5 | 168.5 | 172.3 | 0 | 0 | 0 | 0 | 106.5 | I46 V49 N145 Q146 V148 | I46-V143 HydrophobicContact CG2-CG2 4.06Å; V49-V143 HydrophobicContact CG2-CG2 4.19Å; V143-N145 PolarHBondContact O-N 3.03Å; V143-N145 VanDerWaalsContact O-N 3.13Å; V143-Q146 PolarHBondContact N-O 3.15Å; V143-Q146 PolarHBondContact O-N 3.41Å; V143-V148 HydrophobicContact CB-CG2 4.01Å; V143-V148 HydrophobicContact CG2-CG2 3.55Å |
| 144 | D | 83.9 | Confident | 86.9 | Confident | 151 Ų | 151 | 38.8 Ų | 38.8 | 81% | 0.807 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.7 | -177.5 | -58.4 | -37.2 | 0 | 0 | 0 | 114.1 | Q146 | D144-Q146 PolarHBondContact O-N 3.26Š|
| 145 | N | 82.7 | Confident | 86.2 | Confident | 108 Ų | 108 | 43.1 Ų | 43.1 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 14.1 | -175 | -62.2 | -4.2 | 0 | 0 | 0 | 115.6 | K52 V143 | K52-N145 VanDerWaalsContact NZ-CG 3.33Å; K52-N145 PolarHBondContact NZ-OD1 3.23Å; V143-N145 PolarHBondContact O-N 3.03Å; V143-N145 VanDerWaalsContact O-N 3.13Å |
| 146 | Q | 84.3 | Confident | 85.7 | Confident | 148 Ų | 148 | 45.2 Ų | 45.2 | 69% | 0.692 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.5 | 172.6 | -64.9 | -172.3 | -17.2 | 0 | 0 | 110.8 | T142 V143 D144 V148 | T142-Q146 CarbonylContact C-O 3.58Å; T142-Q146 WeakPolarHBondContact CA-O 3.47Å; T142-Q146 VanDerWaalsContact CB-O 3.29Å; T142-Q146 WeakPolarHBondContact CB-O 3.4Å; V143-Q146 PolarHBondContact N-O 3.15Å; V143-Q146 PolarHBondContact O-N 3.41Å; D144-Q146 PolarHBondContact O-N 3.26Å; Q146-V148 PolarHBondContact O-N 3.33Å |
| 147 | L | 85.6 | Confident | 85.3 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132.7 | 175.5 | -68.8 | 170.9 | 0 | 0 | 0 | 109.7 | L57 L140 T142 H151 F158 A161 | L57-L147 HydrophobicContact CD1-CD2 4.17Å; L140-L147 HydrophobicContact CB-CD2 3.58Å; L140-L147 HydrophobicContact CD1-CD2 3.78Å; L140-L147 HydrophobicContact CG-CD2 4.28Å; T142-L147 HydrophobicContact CG2-CD2 4.1Å; L147-H151 HydrophobicContact CB-CB 4.14Å; L147-H151 HydrophobicContact CD1-CB 3.76Å; L147-F158 HydrophobicContact CD1-CD1 4.38Å; L147-F158 HydrophobicContact CD1-CE1 4.29Å; L147-A161 HydrophobicContact CD1-CB 4.31Å |
| 148 | V | 84.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -79.8 | -33 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | I46 Q77 P141 V143 Q146 | I46-V148 HydrophobicContact CD1-CG1 3.85Å; I46-V148 HydrophobicContact CG2-CG1 4.08Å; Q77-V148 PolarHBondContact N-O 3.23Å; P141-V148 PolarHBondContact O-N 3.35Å; V143-V148 HydrophobicContact CB-CG2 4.01Å; V143-V148 HydrophobicContact CG2-CG2 3.55Å; Q146-V148 PolarHBondContact O-N 3.33Å |
| 149 | Y | 85.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -107.9 | -149.1 | -173.1 | -55.4 | -58.5 | 0 | 0 | 0 | 111.3 | L39 I46 L78 P141 H151 E164 Y174 | L39-Y149 HydrophobicContact CD2-CE2 3.72Å; I46-Y149 HydrophobicContact CD1-CE1 4.36Å; L78-Y149 HydrophobicContact CB-CD1 3.84Å; L78-Y149 HydrophobicContact CB-CE1 4.07Å; L78-Y149 HydrophobicContact CD2-CD1 4.26Å; L78-Y149 HydrophobicContact CD2-CE1 4.27Å; P141-Y149 HydrophobicContact CB-CD2 4.44Å; P141-Y149 HydrophobicContact CB-CE2 4.16Å; P141-Y149 HydrophobicContact CG-CD2 3.36Å; P141-Y149 HydrophobicContact CG-CE2 3.4Å; Y149-H151 PolarHBondContact O-N 2.85Å; Y149-H151 PolarHBondContact O-ND1 3.07Å; Y149-E164 WeakPolarHBondContact CB-OE2 3.19Å; Y149-Y174 HydrophobicContact CD1-CD1 4.27Å; Y149-Y174 AromaticContact CD2-CD1 3.33Å; Y149-Y174 HydrophobicContact CD2-CD1 3.33Å; Y149-Y174 HydrophobicContact CD2-CD2 4.41Å; Y149-Y174 AromaticContact CD2-CE1 3.27Å; Y149-Y174 HydrophobicContact CD2-CE1 3.27Å; Y149-Y174 HydrophobicContact CD2-CE2 4.36Å; Y149-Y174 AromaticContact CD2-CG 3.92Å; Y149-Y174 HydrophobicContact CD2-CG 3.92Å; Y149-Y174 AromaticContact CD2-CZ 3.81Å; Y149-Y174 HydrophobicContact CE1-CD1 4.29Å; Y149-Y174 AromaticContact CE2-CD1 3.34Å; Y149-Y174 HydrophobicContact CE2-CD1 3.34Å; Y149-Y174 AromaticContact CE2-CD2 3.83Å; Y149-Y174 HydrophobicContact CE2-CD2 3.83Å; Y149-Y174 AromaticContact CE2-CE1 3.68Å; Y149-Y174 HydrophobicContact CE2-CE1 3.68Å; Y149-Y174 HydrophobicContact CE2-CE2 4.12Å; Y149-Y174 AromaticContact CE2-CG 3.4Å; Y149-Y174 HydrophobicContact CE2-CG 3.4Å; Y149-Y174 VanDerWaalsContact CE2-CG 3.4Å; Y149-Y174 AromaticContact CG-CD1 3.83Å; Y149-Y174 HydrophobicContact CG-CD1 3.83Å; Y149-Y174 AromaticContact CG-CE1 3.9Å; Y149-Y174 HydrophobicContact CG-CE1 3.9Å; Y149-Y174 AromaticContact CZ-CD1 3.85Å; Y149-Y174 AromaticContact CZ-CG 3.77Å |
| 150 | C | 83.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | trans | -58.1 | 134.6 | -175.3 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | H74 A161 E164 | H74-C150 WeakPolarHBondContact O-CA 3.49Å; C150-A161 WeakPolarHBondContact O-CB 3.43Å; C150-E164 HydrophobicContact CB-CB 4.31Å; C150-E164 VanDerWaalsContact CB-CD 3.44Å; C150-E164 HydrophobicContact CB-CG 4.4Å; C150-E164 WeakPolarHBondContact CB-OE1 3.44Å; C150-E164 VanDerWaalsContact CB-OE2 3.27Å; C150-E164 WeakPolarHBondContact CB-OE2 3.31Å; C150-E164 PolarHBondContact N-OE1 3.25Å; C150-E164 PolarHBondContact N-OE2 2.72Å | ||
| 151 | H | 83.4 | Confident | 84.6 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -148.1 | 159.2 | 179.5 | 58.6 | -80.1 | 0 | 0 | 0 | 111.8 | H74 L147 Y149 | H74-H151 WeakPolarHBondContact CB-O 3.47Å; H74-H151 PolarHBondContact N-O 3.42Å; H74-H151 PolarHBondContact O-N 3.37Å; L147-H151 HydrophobicContact CB-CB 4.14Å; L147-H151 HydrophobicContact CD1-CB 3.76Å; Y149-H151 PolarHBondContact O-N 2.85Å; Y149-H151 PolarHBondContact O-ND1 3.07Å |
| 152 | S | 83.2 | Confident | 84.7 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | trans | -86.2 | 159.5 | 171.5 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | D72 D154 E157 | D72-S152 WeakPolarHBondContact CA-OG 3.05Å; D72-S152 WeakPolarHBondContact CB-OG 3.49Å; D72-S152 WeakPolarHBondContact O-CA 3.34Å; D72-S152 WeakPolarHBondContact O-CB 3.46Å; D72-S152 PolarHBondContact O-N 3.5Å; S152-D154 PolarHBondContact OG-N 3.32Å; S152-E157 PolarHBondContact OG-OE2 3.12Å | ||
| 153 | N | 76.4 | Confident | 84.9 | Confident | 118 Ų | 118 | 44.4 Ų | 44.4 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -67.8 | -29.8 | 168 | -83.9 | -18.5 | 0 | 0 | 0 | 111.1 | H74 S155 | H74-N153 PolarHBondContact CE1-ND2 3.18Å; H74-N153 PolarHBondContact CE1-OD1 2.89Å; H74-N153 PolarHBondContact ND1-OD1 3.12Å; H74-N153 PolarHBondContact NE2-ND2 3.24Å; H74-N153 PolarHBondContact NE2-OD1 3.22Å; N153-S155 PolarHBondContact O-N 3.41Å |
| 154 | D | 79.2 | Confident | 85.1 | Confident | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -80.2 | 119.6 | 174.8 | -69.6 | -36.3 | 0 | 0 | 0 | 109.7 | S152 N156 E157 | S152-D154 PolarHBondContact OG-N 3.32Å; D154-N156 PolarHBondContact O-N 3.38Å; D154-E157 HydrophobicContact CB-CB 4.26Å; D154-E157 PolarHBondContact O-N 3.39Å |
| 155 | S | 78.5 | Confident | 85.5 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | N153 F158 | N153-S155 PolarHBondContact O-N 3.41Å; S155-F158 WeakPolarHBondContact O-CZ 3.38Å |
| 156 | N | 82.9 | Confident | 85.9 | Confident | 45 Ų | 45 | 30.3 Ų | 30.3 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4.4 | -173.3 | -64.2 | 21.4 | 0 | 0 | 0 | 112 | C58 D60 H62 V65 D154 F158 | C58-N156 PolarHBondContact SG-OD1 3.3Å; D60-N156 WeakPolarHBondContact O-CB 3.49Å; D60-N156 PolarHBondContact O-ND2 2.95Å; H62-N156 PolarHBondContact N-O 2.83Å; H62-N156 VanDerWaalsContact O-O 3.12Å; V65-N156 HydrophobicContact CG2-CB 4.45Å; D154-N156 PolarHBondContact O-N 3.38Å; N156-F158 WeakPolarHBondContact O-CD2 3.3Å; N156-F158 WeakPolarHBondContact O-CE2 3.38Å |
| 157 | E | 85.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -109.6 | 126.2 | -173.8 | -170.4 | 176.8 | -136.7 | 0 | 0 | 112.8 | V65 D72 S152 D154 W159 | V65-E157 HydrophobicContact CG2-CB 4.04Å; V65-E157 PolarHBondContact N-OE1 3.04Å; D72-E157 WeakPolarHBondContact CB-OE2 3.4Å; S152-E157 PolarHBondContact OG-OE2 3.12Å; D154-E157 HydrophobicContact CB-CB 4.26Å; D154-E157 PolarHBondContact O-N 3.39Å; E157-W159 PolarHBondContact OE1-NE1 3.39Å |
| 158 | F | 88 | Confident | 86.4 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | trans | -124.6 | 1.7 | -168.4 | -65.1 | -84.2 | 0 | 0 | 0 | 115.9 | P54 L57 C58 P61 H62 W109 L140 L147 S155 N156 S160 A161 L162 | P54-F158 HydrophobicContact CB-CD1 4.09Å; P54-F158 HydrophobicContact CB-CD2 3.81Å; P54-F158 HydrophobicContact CB-CE1 4.1Å; P54-F158 HydrophobicContact CB-CE2 3.83Å; P54-F158 HydrophobicContact CB-CG 3.95Å; P54-F158 HydrophobicContact CB-CZ 3.98Å; P54-F158 HydrophobicContact CG-CB 4.35Å; P54-F158 HydrophobicContact CG-CD1 3.96Å; P54-F158 HydrophobicContact CG-CD2 4.3Å; P54-F158 HydrophobicContact CG-CE1 4.35Å; P54-F158 HydrophobicContact CG-CG 3.93Å; L57-F158 HydrophobicContact CD1-CE1 4.29Å; C58-F158 HydrophobicContact CB-CE2 4.45Å; C58-F158 HydrophobicContact CB-CZ 4.32Å; P61-F158 HydrophobicContact CB-CD2 3.96Å; P61-F158 HydrophobicContact CB-CE2 3.72Å; H62-F158 PolarHBondContact O-N 2.92Å; H62-F158 VanDerWaalsContact O-N 3.1Å; W109-F158 HydrophobicContact CH2-CB 4.14Å; W109-F158 HydrophobicContact CZ3-CB 4.45Å; L140-F158 HydrophobicContact CD1-CD1 3.92Å; L147-F158 HydrophobicContact CD1-CD1 4.38Å; L147-F158 HydrophobicContact CD1-CE1 4.29Å; S155-F158 WeakPolarHBondContact O-CZ 3.38Å; N156-F158 WeakPolarHBondContact O-CD2 3.3Å; N156-F158 WeakPolarHBondContact O-CE2 3.38Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.49Å; F158-A161 PolarHBondContact O-N 3.2Å; F158-L162 HydrophobicContact CB-CD1 4.46Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 3.36Å; F158-L162 VanDerWaalsContact O-N 3.08Å | ||
| 159 | W | 88.1 | Confident | 86.6 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | -178 | 72.6 | -93.9 | 0 | 0 | 0 | 113.2 | L63 F64 I68 D72 L73 I101 E157 L162 V163 | L63-W159 HydrophobicContact CD1-CB 4.01Å; L63-W159 HydrophobicContact CG-CB 4.24Å; L63-W159 VanDerWaalsContact O-CB 3.3Å; L63-W159 WeakPolarHBondContact O-CB 3.46Å; L63-W159 PolarHBondContact O-N 2.8Å; F64-W159 HydrophobicContact CD1-CB 3.92Å; F64-W159 AromaticContact CD1-CD1 3.59Å; F64-W159 AromaticContact CD1-CG 3.8Å; F64-W159 HydrophobicContact CD1-CG 3.8Å; F64-W159 HydrophobicContact CE1-CB 3.43Å; F64-W159 VanDerWaalsContact CE1-CB 3.43Å; F64-W159 AromaticContact CE1-CD1 3.82Å; F64-W159 HydrophobicContact CE1-CD2 4.19Å; F64-W159 AromaticContact CE1-CG 3.53Å; F64-W159 HydrophobicContact CE1-CG 3.53Å; F64-W159 HydrophobicContact CZ-CB 4.35Å; I68-W159 HydrophobicContact CG2-CD2 4.39Å; I68-W159 HydrophobicContact CG2-CH2 3.55Å; I68-W159 HydrophobicContact CG2-CZ2 3.37Å; I68-W159 HydrophobicContact CG2-CZ3 4.18Å; D72-W159 HydrophobicContact CB-CZ2 3.93Å; D72-W159 PolarHBondContact OD2-NE1 2.84Å; L73-W159 HydrophobicContact CD1-CH2 3.76Å; L73-W159 HydrophobicContact CD1-CZ2 4.25Å; L73-W159 HydrophobicContact CD2-CH2 3.73Å; L73-W159 HydrophobicContact CD2-CZ2 4.18Å; L73-W159 HydrophobicContact CD2-CZ3 4.25Å; L73-W159 HydrophobicContact CG-CH2 3.74Å; L73-W159 HydrophobicContact CG-CZ2 3.91Å; I101-W159 HydrophobicContact CD1-CE3 4.21Å; E157-W159 PolarHBondContact OE1-NE1 3.39Å; W159-L162 PolarHBondContact O-N 3.02Å; W159-V163 HydrophobicContact CE3-CG1 4.23Å; W159-V163 HydrophobicContact CZ3-CG1 4.24Å; W159-V163 WeakPolarHBondContact O-CB 3.2Å; W159-V163 PolarHBondContact O-N 3.24Å |
| 160 | S | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | -177.6 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | D72 F158 V163 E164 | D72-S160 PolarHBondContact O-OG 2.84Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.49Å; S160-V163 WeakPolarHBondContact O-CG1 3.43Å; S160-E164 WeakPolarHBondContact O-CB 3.47Å; S160-E164 PolarHBondContact O-N 3.41Å |
| 161 | A | 89.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L140 L147 C150 F158 K165 | L140-A161 HydrophobicContact CD1-CB 3.67Å; L140-A161 HydrophobicContact CD2-CB 3.9Å; L140-A161 HydrophobicContact CG-CB 4.43Å; L147-A161 HydrophobicContact CD1-CB 4.31Å; C150-A161 WeakPolarHBondContact O-CB 3.43Å; F158-A161 PolarHBondContact O-N 3.2Å; A161-K165 PolarHBondContact O-N 3.11Å |
| 162 | L | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.6 | -40.4 | -179.8 | -69.9 | 173.9 | 0 | 0 | 0 | 112.5 | L63 W109 F121 F123 I136 D138 L140 F158 W159 E164 K165 A166 | L63-L162 HydrophobicContact CD1-CD1 3.78Å; W109-L162 HydrophobicContact CH2-CD1 4.03Å; F121-L162 HydrophobicContact CD1-CD1 4.02Å; F121-L162 HydrophobicContact CD2-CD1 4.23Å; F121-L162 HydrophobicContact CE1-CD1 4.11Å; F121-L162 HydrophobicContact CE2-CD1 4.34Å; F121-L162 HydrophobicContact CG-CD1 4.09Å; F121-L162 HydrophobicContact CZ-CD1 4.28Å; F123-L162 HydrophobicContact CE2-CB 4Å; F123-L162 HydrophobicContact CZ-CB 3.69Å; I136-L162 HydrophobicContact CD1-CB 4.18Å; I136-L162 HydrophobicContact CD1-CD2 4.01Å; I136-L162 VanDerWaalsContact CD1-O 3.23Å; I136-L162 WeakPolarHBondContact CD1-O 3.29Å; D138-L162 HydrophobicContact CB-CD2 3.92Å; L140-L162 HydrophobicContact CD2-CD2 4.2Å; F158-L162 HydrophobicContact CB-CD1 4.46Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 3.36Å; F158-L162 VanDerWaalsContact O-N 3.08Å; W159-L162 PolarHBondContact O-N 3.02Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-K165 WeakPolarHBondContact O-CB 3.47Å; L162-K165 PolarHBondContact O-N 3.01Å; L162-A166 PolarHBondContact O-N 3.01Å |
| 163 | V | 91.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.7 | -38.1 | 178.4 | 82.3 | 0 | 0 | 0 | 0 | 110.9 | F83 V100 F123 F125 W159 S160 A166 Y167 | F83-V163 HydrophobicContact CE1-CG1 4.43Å; F83-V163 HydrophobicContact CZ-CG1 4.13Å; V100-V163 HydrophobicContact CG1-CG2 4.24Å; F123-V163 HydrophobicContact CD1-CB 4.07Å; F123-V163 HydrophobicContact CD1-CG2 3.64Å; F123-V163 HydrophobicContact CE1-CB 3.84Å; F123-V163 HydrophobicContact CE1-CG2 3.92Å; F123-V163 HydrophobicContact CG-CG2 4.31Å; F123-V163 HydrophobicContact CZ-CB 4.41Å; F125-V163 HydrophobicContact CE1-CG2 4.15Å; F125-V163 HydrophobicContact CZ-CG2 4.02Å; W159-V163 HydrophobicContact CE3-CG1 4.23Å; W159-V163 HydrophobicContact CZ3-CG1 4.24Å; W159-V163 WeakPolarHBondContact O-CB 3.2Å; W159-V163 PolarHBondContact O-N 3.24Å; S160-V163 WeakPolarHBondContact O-CG1 3.43Å; V163-A166 PolarHBondContact O-N 3.22Å; V163-Y167 WeakPolarHBondContact O-CB 3.5Å; V163-Y167 PolarHBondContact O-N 2.8Å |
| 164 | E | 91.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 172.6 | -174.3 | -172.8 | -136.3 | 0 | 0 | 111.2 | N80 F83 Y149 C150 S160 L162 A166 Y167 A168 Y174 L177 | N80-E164 PolarHBondContact ND2-OE1 3.37Å; F83-E164 HydrophobicContact CD1-CG 4.44Å; F83-E164 HydrophobicContact CE1-CB 3.79Å; F83-E164 HydrophobicContact CE1-CG 4.04Å; F83-E164 HydrophobicContact CZ-CB 4.29Å; Y149-E164 WeakPolarHBondContact CB-OE2 3.19Å; C150-E164 HydrophobicContact CB-CB 4.31Å; C150-E164 VanDerWaalsContact CB-CD 3.44Å; C150-E164 HydrophobicContact CB-CG 4.4Å; C150-E164 WeakPolarHBondContact CB-OE1 3.44Å; C150-E164 VanDerWaalsContact CB-OE2 3.27Å; C150-E164 WeakPolarHBondContact CB-OE2 3.31Å; C150-E164 PolarHBondContact N-OE1 3.25Å; C150-E164 PolarHBondContact N-OE2 2.72Å; S160-E164 WeakPolarHBondContact O-CB 3.47Å; S160-E164 PolarHBondContact O-N 3.41Å; L162-E164 VanDerWaalsContact C-N 3.33Å; E164-A166 PolarHBondContact O-N 3.26Å; E164-Y167 WeakPolarHBondContact O-CB 3.38Å; E164-Y167 PolarHBondContact O-N 3Å; E164-A168 WeakPolarHBondContact O-CB 3.37Å; E164-A168 PolarHBondContact O-N 3.18Å; E164-Y174 HydrophobicContact CG-CE1 4.03Å; E164-L177 HydrophobicContact CG-CD1 4.37Å |
| 165 | K | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.2 | -174.9 | 174.2 | 169.9 | -173.1 | 0 | 112.6 | F32 I136 D137 R139 L140 A161 L162 Y167 A168 K169 Y174 | F32-K165 HydrophobicContact CD1-CG 4.42Å; F32-K165 HydrophobicContact CE1-CG 4.07Å; I136-K165 HydrophobicContact CD1-CB 4.09Å; I136-K165 HydrophobicContact CD1-CD 4.16Å; I136-K165 HydrophobicContact CD1-CG 4.24Å; D137-K165 WeakPolarHBondContact O-CE 3.38Å; D137-K165 PolarHBondContact O-NZ 2.97Å; D137-K165 IonicContact OD1-NZ 3.9Å; D137-K165 PolarHBondContact OD1-NZ 2.96Å; R139-K165 WeakPolarHBondContact O-CE 3.3Å; R139-K165 PolarHBondContact O-NZ 3.38Å; L140-K165 HydrophobicContact CD2-CD 4.28Å; A161-K165 PolarHBondContact O-N 3.11Å; L162-K165 WeakPolarHBondContact O-CB 3.47Å; L162-K165 PolarHBondContact O-N 3.01Å; K165-Y167 PolarHBondContact O-N 3.44Å; K165-A168 PolarHBondContact O-N 2.75Å; K165-K169 PolarHBondContact O-N 3.43Å; K165-Y174 WeakPolarHBondContact CA-OH 3.28Å; K165-Y174 WeakPolarHBondContact CB-OH 3.23Å; K165-Y174 HydrophobicContact CG-CE2 4.47Å; K165-Y174 WeakPolarHBondContact CG-OH 3.26Å |
| 166 | A | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F123 F125 V134 I136 L162 V163 E164 V170 | F123-A166 HydrophobicContact CB-CB 3.93Å; F123-A166 HydrophobicContact CD2-CB 3.44Å; F123-A166 VanDerWaalsContact CD2-CB 3.44Å; F123-A166 HydrophobicContact CE2-CB 4.23Å; F123-A166 HydrophobicContact CG-CB 3.86Å; F125-A166 HydrophobicContact CE2-CB 3.78Å; F125-A166 HydrophobicContact CZ-CB 4.02Å; V134-A166 HydrophobicContact CG1-CB 4.33Å; I136-A166 HydrophobicContact CD1-CB 4.18Å; I136-A166 HydrophobicContact CG2-CB 3.92Å; L162-A166 PolarHBondContact O-N 3.01Å; V163-A166 PolarHBondContact O-N 3.22Å; E164-A166 PolarHBondContact O-N 3.26Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 2.82Å |
| 167 | Y | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.4 | -44.5 | 175.4 | -157.4 | -112.6 | 0 | 0 | 0 | 112 | W82 F83 F125 V163 E164 K165 K169 V170 Y171 L177 D188 | W82-Y167 AromaticContact CH2-CE1 3.54Å; W82-Y167 HydrophobicContact CH2-CE1 3.54Å; W82-Y167 HydrophobicContact CZ2-CE1 4.22Å; W82-Y167 HydrophobicContact CZ3-CE1 4.16Å; F83-Y167 AromaticContact CD2-CD1 3.38Å; F83-Y167 HydrophobicContact CD2-CD1 3.38Å; F83-Y167 AromaticContact CD2-CE1 3.56Å; F83-Y167 HydrophobicContact CD2-CE1 3.56Å; F83-Y167 AromaticContact CD2-CG 3.93Å; F83-Y167 HydrophobicContact CD2-CG 3.93Å; F83-Y167 AromaticContact CE2-CD1 3.33Å; F83-Y167 HydrophobicContact CE2-CD1 3.33Å; F83-Y167 AromaticContact CE2-CD2 3.93Å; F83-Y167 HydrophobicContact CE2-CD2 3.93Å; F83-Y167 AromaticContact CE2-CE1 3.88Å; F83-Y167 HydrophobicContact CE2-CE1 3.88Å; F83-Y167 HydrophobicContact CE2-CE2 4.43Å; F83-Y167 AromaticContact CE2-CG 3.35Å; F83-Y167 HydrophobicContact CE2-CG 3.35Å; F83-Y167 HydrophobicContact CG-CD1 4.39Å; F83-Y167 HydrophobicContact CZ-CD1 4.33Å; F83-Y167 HydrophobicContact CZ-CG 4.19Å; F125-Y167 HydrophobicContact CD1-CD2 4.04Å; F125-Y167 HydrophobicContact CD1-CE2 4.45Å; F125-Y167 AromaticContact CE1-CD2 3.94Å; F125-Y167 HydrophobicContact CE1-CD2 3.94Å; F125-Y167 HydrophobicContact CE2-CD2 4.41Å; F125-Y167 HydrophobicContact CG-CD2 4.34Å; F125-Y167 HydrophobicContact CZ-CD2 4.12Å; V163-Y167 WeakPolarHBondContact O-CB 3.5Å; V163-Y167 PolarHBondContact O-N 2.8Å; E164-Y167 WeakPolarHBondContact O-CB 3.38Å; E164-Y167 PolarHBondContact O-N 3Å; K165-Y167 PolarHBondContact O-N 3.44Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.83Å; Y167-V170 WeakPolarHBondContact O-CB 3.38Å; Y167-V170 PolarHBondContact O-N 3.42Å; Y167-Y171 HydrophobicContact CD1-CD2 4.01Å; Y167-Y171 AromaticContact CD1-CE2 3.97Å; Y167-Y171 HydrophobicContact CD1-CE2 3.97Å; Y167-Y171 HydrophobicContact CD2-CE2 4.31Å; Y167-Y171 AromaticContact CE1-CD2 3.85Å; Y167-Y171 HydrophobicContact CE1-CD2 3.85Å; Y167-Y171 AromaticContact CE1-CE2 3.38Å; Y167-Y171 HydrophobicContact CE1-CE2 3.38Å; Y167-Y171 HydrophobicContact CE2-CD2 4.49Å; Y167-Y171 AromaticContact CE2-CE2 3.75Å; Y167-Y171 HydrophobicContact CE2-CE2 3.75Å; Y167-Y171 HydrophobicContact CG-CD2 4.41Å; Y167-Y171 HydrophobicContact CG-CE2 4.4Å; Y167-Y171 AromaticContact CZ-CE2 3.24Å; Y167-Y171 AromaticContact CZ-CZ 3.93Å; Y167-Y171 WeakPolarHBondContact O-CD2 3.32Å; Y167-Y171 PolarHBondContact O-N 3.03Å; Y167-Y171 VanDerWaalsContact O-N 3.17Å; Y167-Y171 WeakPolarHBondContact OH-CE2 3.49Å; Y167-Y171 PolarHBondContact OH-OH 3.09Å; Y167-Y171 VanDerWaalsContact OH-OH 3.11Å; Y167-L177 HydrophobicContact CD1-CD1 4.23Å; Y167-L177 HydrophobicContact CD1-CD2 3.51Å; Y167-L177 HydrophobicContact CE1-CD2 3.86Å; Y167-D188 HydrophobicContact CE2-CB 4.08Å; Y167-D188 PolarHBondContact OH-OD2 3.08Å |
| 168 | A | 89 | Confident | 87.2 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.3 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 E164 K165 V170 Y171 G172 C173 Y174 L177 | F32-A168 HydrophobicContact CZ-CB 4.14Å; E164-A168 WeakPolarHBondContact O-CB 3.37Å; E164-A168 PolarHBondContact O-N 3.18Å; K165-A168 PolarHBondContact O-N 2.75Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 3.2Å; A168-Y171 CarbonylContact O-C 3.54Å; A168-Y171 PolarHBondContact O-N 2.84Å; A168-G172 CarbonylContact O-C 3.56Å; A168-G172 PolarHBondContact O-N 2.64Å; A168-C173 PolarHBondContact O-N 2.98Å; A168-Y174 HydrophobicContact CB-CD1 3.97Å; A168-Y174 HydrophobicContact CB-CD2 3.9Å; A168-Y174 HydrophobicContact CB-CE1 4.16Å; A168-Y174 HydrophobicContact CB-CE2 4.09Å; A168-Y174 HydrophobicContact CB-CG 3.86Å; A168-L177 HydrophobicContact CB-CD1 3.87Å; A168-L177 HydrophobicContact CB-CG 4.45Å |
| 169 | K | 89.7 | Confident | 86.4 | Confident | 8 Ų | 8 | 11.9 Ų | 11.9 | 4% | 0.035 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 174.3 | 176.4 | 175.4 | 177.1 | 175.7 | 0 | 113.1 | F8 D29 F32 V134 V135 I136 K165 Y167 | F8-K169 HydrophobicContact CE1-CD 4.43Å; F8-K169 HydrophobicContact CE1-CG 4.06Å; D29-K169 VanDerWaalsContact CG-NZ 3.32Å; D29-K169 IonicContact OD1-NZ 2.82Å; D29-K169 PolarHBondContact OD1-NZ 2.95Å; D29-K169 WeakPolarHBondContact OD2-CD 3.22Å; D29-K169 WeakPolarHBondContact OD2-CE 3.27Å; D29-K169 IonicContact OD2-NZ 3.39Å; D29-K169 PolarHBondContact OD2-NZ 3.5Å; F32-K169 HydrophobicContact CB-CB 4.3Å; F32-K169 HydrophobicContact CB-CD 3.8Å; F32-K169 HydrophobicContact CB-CG 3.93Å; F32-K169 HydrophobicContact CD1-CB 4.45Å; F32-K169 HydrophobicContact CD2-CB 3.79Å; F32-K169 HydrophobicContact CD2-CG 4Å; F32-K169 HydrophobicContact CE2-CB 4.16Å; F32-K169 HydrophobicContact CG-CB 3.93Å; F32-K169 HydrophobicContact CG-CD 4.35Å; F32-K169 HydrophobicContact CG-CG 4.08Å; V134-K169 HydrophobicContact CG1-CD 3.94Å; V134-K169 HydrophobicContact CG1-CG 4.36Å; V135-K169 PolarHBondContact O-NZ 2.75Å; I136-K169 HydrophobicContact CG2-CD 3.96Å; K165-K169 PolarHBondContact O-N 3.43Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.83Å |
| 170 | V | 87.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 13.3 Ų | 13.3 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F8 F125 V134 A166 Y167 A168 | F8-V170 HydrophobicContact CE2-CG2 4.37Å; F125-V170 HydrophobicContact CD2-CG2 4.06Å; F125-V170 HydrophobicContact CE2-CG2 4.48Å; V134-V170 HydrophobicContact CG1-CG2 4.32Å; V134-V170 HydrophobicContact CG2-CG2 3.55Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 2.82Å; Y167-V170 WeakPolarHBondContact O-CB 3.38Å; Y167-V170 PolarHBondContact O-N 3.42Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 3.2Å |
| 171 | Y | 82 | Confident | 85.5 | Confident | 30 Ų | 30 | 16.1 Ų | 16.1 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -80.9 | -21.7 | 179.7 | -80.1 | -92.6 | 0 | 0 | 0 | 113.5 | R127 Y167 A168 L177 D188 E410 | R127-Y171 PolarHBondContact NH1-OH 2.91Å; Y167-Y171 HydrophobicContact CD1-CD2 4.01Å; Y167-Y171 AromaticContact CD1-CE2 3.97Å; Y167-Y171 HydrophobicContact CD1-CE2 3.97Å; Y167-Y171 HydrophobicContact CD2-CE2 4.31Å; Y167-Y171 AromaticContact CE1-CD2 3.85Å; Y167-Y171 HydrophobicContact CE1-CD2 3.85Å; Y167-Y171 AromaticContact CE1-CE2 3.38Å; Y167-Y171 HydrophobicContact CE1-CE2 3.38Å; Y167-Y171 HydrophobicContact CE2-CD2 4.49Å; Y167-Y171 AromaticContact CE2-CE2 3.75Å; Y167-Y171 HydrophobicContact CE2-CE2 3.75Å; Y167-Y171 HydrophobicContact CG-CD2 4.41Å; Y167-Y171 HydrophobicContact CG-CE2 4.4Å; Y167-Y171 AromaticContact CZ-CE2 3.24Å; Y167-Y171 AromaticContact CZ-CZ 3.93Å; Y167-Y171 WeakPolarHBondContact O-CD2 3.32Å; Y167-Y171 PolarHBondContact O-N 3.03Å; Y167-Y171 VanDerWaalsContact O-N 3.17Å; Y167-Y171 WeakPolarHBondContact OH-CE2 3.49Å; Y167-Y171 PolarHBondContact OH-OH 3.09Å; Y167-Y171 VanDerWaalsContact OH-OH 3.11Å; A168-Y171 CarbonylContact O-C 3.54Å; A168-Y171 PolarHBondContact O-N 2.84Å; Y171-L177 HydrophobicContact CD1-CD2 4.49Å; Y171-L177 HydrophobicContact CD2-CD2 3.69Å; Y171-L177 HydrophobicContact CE2-CD2 4.43Å; Y171-L177 HydrophobicContact CG-CD2 3.75Å; Y171-D188 PolarHBondContact OH-OD2 2.68Å; Y171-E410 WeakPolarHBondContact CE1-OE2 3.38Å; Y171-E410 PolarHBondContact OH-OE1 3.3Å |
| 172 | G | 83.8 | Confident | 85.3 | Confident | 34 Ų | 34 | 16.5 Ų | 16.5 | 35% | 0.351 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 116.4 | -36 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F32 A168 | F32-G172 WeakPolarHBondContact CE2-O 3.41Å; A168-G172 CarbonylContact O-C 3.56Å; A168-G172 PolarHBondContact O-N 2.64Å |
| 173 | C | 84.9 | Confident | 85.1 | Confident | 6 Ų | 6 | 17 Ų | 17 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -154.5 | 167.2 | 177 | 60.8 | 0 | 0 | 0 | 0 | 111 | S38 A168 A176 | S38-C173 CarbonylContact O-C 3.53Å; S38-C173 VanDerWaalsContact O-CA 3.22Å; S38-C173 WeakPolarHBondContact O-CA 3.16Å; S38-C173 WeakPolarHBondContact O-CB 3.06Å; A168-C173 PolarHBondContact O-N 2.98Å; C173-A176 WeakPolarHBondContact O-CB 2.83Å; C173-A176 PolarHBondContact O-N 3.47Å; C173-A176 PolarHBondContact SG-N 3.21Å; C173-A176 VanDerWaalsContact SG-N 3.42Å |
| 174 | Y | 85.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -64.7 | -43.5 | 175.6 | -83.1 | -92.4 | 0 | 0 | 0 | 112.6 | F32 S38 L39 W51 L78 P141 Y149 E164 K165 A168 A176 L177 | F32-Y174 HydrophobicContact CE1-CD2 4.45Å; F32-Y174 AromaticContact CE1-CE2 3.99Å; F32-Y174 HydrophobicContact CE1-CE2 3.99Å; F32-Y174 HydrophobicContact CZ-CD2 4.05Å; F32-Y174 HydrophobicContact CZ-CE2 4.03Å; S38-Y174 PolarHBondContact O-N 2.59Å; L39-Y174 HydrophobicContact CD2-CD2 3.87Å; L39-Y174 HydrophobicContact CD2-CE2 4.32Å; W51-Y174 HydrophobicContact CH2-CE2 4.25Å; L78-Y174 WeakPolarHBondContact CD2-O 3.45Å; P141-Y174 HydrophobicContact CG-CE2 4.41Å; Y149-Y174 HydrophobicContact CD1-CD1 4.27Å; Y149-Y174 AromaticContact CD2-CD1 3.33Å; Y149-Y174 HydrophobicContact CD2-CD1 3.33Å; Y149-Y174 HydrophobicContact CD2-CD2 4.41Å; Y149-Y174 AromaticContact CD2-CE1 3.27Å; Y149-Y174 HydrophobicContact CD2-CE1 3.27Å; Y149-Y174 HydrophobicContact CD2-CE2 4.36Å; Y149-Y174 AromaticContact CD2-CG 3.92Å; Y149-Y174 HydrophobicContact CD2-CG 3.92Å; Y149-Y174 AromaticContact CD2-CZ 3.81Å; Y149-Y174 HydrophobicContact CE1-CD1 4.29Å; Y149-Y174 AromaticContact CE2-CD1 3.34Å; Y149-Y174 HydrophobicContact CE2-CD1 3.34Å; Y149-Y174 AromaticContact CE2-CD2 3.83Å; Y149-Y174 HydrophobicContact CE2-CD2 3.83Å; Y149-Y174 AromaticContact CE2-CE1 3.68Å; Y149-Y174 HydrophobicContact CE2-CE1 3.68Å; Y149-Y174 HydrophobicContact CE2-CE2 4.12Å; Y149-Y174 AromaticContact CE2-CG 3.4Å; Y149-Y174 HydrophobicContact CE2-CG 3.4Å; Y149-Y174 VanDerWaalsContact CE2-CG 3.4Å; Y149-Y174 AromaticContact CG-CD1 3.83Å; Y149-Y174 HydrophobicContact CG-CD1 3.83Å; Y149-Y174 AromaticContact CG-CE1 3.9Å; Y149-Y174 HydrophobicContact CG-CE1 3.9Å; Y149-Y174 AromaticContact CZ-CD1 3.85Å; Y149-Y174 AromaticContact CZ-CG 3.77Å; E164-Y174 HydrophobicContact CG-CE1 4.03Å; K165-Y174 WeakPolarHBondContact CA-OH 3.28Å; K165-Y174 WeakPolarHBondContact CB-OH 3.23Å; K165-Y174 HydrophobicContact CG-CE2 4.47Å; K165-Y174 WeakPolarHBondContact CG-OH 3.26Å; A168-Y174 HydrophobicContact CB-CD1 3.97Å; A168-Y174 HydrophobicContact CB-CD2 3.9Å; A168-Y174 HydrophobicContact CB-CE1 4.16Å; A168-Y174 HydrophobicContact CB-CE2 4.09Å; A168-Y174 HydrophobicContact CB-CG 3.86Å; Y174-A176 PolarHBondContact O-N 2.92Å; Y174-A176 VanDerWaalsContact O-N 3.12Å; Y174-L177 WeakPolarHBondContact O-CB 3.29Å; Y174-L177 PolarHBondContact O-N 2.87Å |
| 175 | E | 83.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 17.6 Ų | 17.6 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -58.8 | -26.7 | 177.9 | -172.3 | 177.4 | -159.7 | 0 | 0 | 112.4 | L39 F40 H41 Q42 R45 L177 D178 | L39-E175 WeakPolarHBondContact O-CB 3.28Å; L39-E175 PolarHBondContact O-N 2.75Å; F40-E175 WeakPolarHBondContact CA-OE2 3.5Å; H41-E175 IonicContact CD2-OE2 3.67Å; H41-E175 PolarHBondContact CD2-OE2 2.97Å; H41-E175 IonicContact CG-OE2 3.12Å; H41-E175 PolarHBondContact N-OE2 3.48Å; H41-E175 IonicContact NE2-OE2 3.47Å; Q42-E175 PolarHBondContact N-OE2 3.11Å; R45-E175 IonicContact CZ-OE1 3.89Å; R45-E175 IonicContact NH1-OE1 2.67Å; E175-L177 PolarHBondContact O-N 3.1Å; E175-D178 VanDerWaalsContact O-CB 3.31Å; E175-D178 WeakPolarHBondContact O-CB 3.4Å; E175-D178 PolarHBondContact O-N 3.05Å; E175-D178 VanDerWaalsContact O-N 3.1Å |
| 176 | A | 81.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 17.6 Ų | 17.6 | 5% | 0.05 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -66.4 | -15.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C173 Y174 A413 K419 | C173-A176 WeakPolarHBondContact O-CB 2.83Å; C173-A176 PolarHBondContact O-N 3.47Å; C173-A176 PolarHBondContact SG-N 3.21Å; C173-A176 VanDerWaalsContact SG-N 3.42Å; Y174-A176 PolarHBondContact O-N 2.92Å; Y174-A176 VanDerWaalsContact O-N 3.12Å; A176-A413 HydrophobicContact CB-CB 3.99Å; A176-K419 WeakPolarHBondContact O-CE 3.49Å |
| 177 | L | 82.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -84.3 | -10.2 | 174.7 | -55.6 | -177.9 | 0 | 0 | 0 | 113.1 | L78 N80 W82 E164 Y167 A168 Y171 Y174 E175 G179 | L78-L177 HydrophobicContact CD2-CB 4.09Å; N80-L177 HydrophobicContact CB-CB 4.36Å; W82-L177 HydrophobicContact CZ2-CD2 4.39Å; W82-L177 PolarHBondContact NE1-O 3.31Å; E164-L177 HydrophobicContact CG-CD1 4.37Å; Y167-L177 HydrophobicContact CD1-CD1 4.23Å; Y167-L177 HydrophobicContact CD1-CD2 3.51Å; Y167-L177 HydrophobicContact CE1-CD2 3.86Å; A168-L177 HydrophobicContact CB-CD1 3.87Å; A168-L177 HydrophobicContact CB-CG 4.45Å; Y171-L177 HydrophobicContact CD1-CD2 4.49Å; Y171-L177 HydrophobicContact CD2-CD2 3.69Å; Y171-L177 HydrophobicContact CE2-CD2 4.43Å; Y171-L177 HydrophobicContact CG-CD2 3.75Å; Y174-L177 WeakPolarHBondContact O-CB 3.29Å; Y174-L177 PolarHBondContact O-N 2.87Å; E175-L177 PolarHBondContact O-N 3.1Å; L177-G179 PolarHBondContact O-N 2.83Å |
| 178 | D | 80 | Confident | 84.5 | Confident | 75 Ų | 75 | 17.9 Ų | 17.9 | 40% | 0.401 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 110.3 | -175 | -174.8 | 24.1 | 0 | 0 | 0 | 112.8 | L78 G79 E175 K419 | L78-D178 HydrophobicContact CD1-CB 3.9Å; G79-D178 WeakPolarHBondContact CA-OD1 3.46Å; G79-D178 PolarHBondContact N-OD1 3.21Å; E175-D178 VanDerWaalsContact O-CB 3.31Å; E175-D178 WeakPolarHBondContact O-CB 3.4Å; E175-D178 PolarHBondContact O-N 3.05Å; E175-D178 VanDerWaalsContact O-N 3.1Å; D178-K419 VanDerWaalsContact O-CE 3.27Å; D178-K419 WeakPolarHBondContact O-CE 3.21Å; D178-K419 PolarHBondContact O-NZ 2.93Å |
| 179 | G | 72.2 | Confident | 84.4 | Confident | 54 Ų | 54 | 17.9 Ų | 17.9 | 56% | 0.557 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 54.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G79 L177 K419 | G79-G179 PolarHBondContact O-N 2.78Å; L177-G179 PolarHBondContact O-N 2.83Å; G179-K419 VanDerWaalsContact C-NZ 3.34Å; G179-K419 PolarHBondContact O-NZ 2.92Å |
| 180 | G | 75.4 | Confident | 84.3 | Confident | 34 Ų | 34 | 18 Ų | 18 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | trans | -95.5 | -173 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W82 | W82-G180 VanDerWaalsContact CD1-N 3.32Š| ||
| 181 | N | 81.9 | Confident | 84.2 | Confident | 60 Ų | 60 | 18.3 Ų | 18.3 | 32% | 0.321 | 13% | 0.132 | S | C | . | . | trans | -110.7 | 123.6 | -177.4 | -174.1 | -15.9 | 0 | 0 | 0 | 110.9 | W82 A183 D184 A185 | W82-N181 VanDerWaalsContact CE3-C 3.42Å; W82-N181 WeakPolarHBondContact CZ3-O 3.23Å; N181-A183 PolarHBondContact O-N 3.21Å; N181-A183 WeakPolarHBondContact OD1-CB 3.21Å; N181-A183 PolarHBondContact OD1-N 3.5Å; N181-D184 HydrophobicContact CB-CB 4.48Å; N181-D184 WeakPolarHBondContact O-CB 3.46Å; N181-D184 PolarHBondContact O-N 3.43Å; N181-A185 PolarHBondContact O-N 3.31Å | ||
| 182 | T | 84.5 | Confident | 84.5 | Confident | 11 Ų | 11 | 17 Ų | 17 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.8 | -35.1 | 179.8 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | W82 A85 A86 D184 A185 L186 S229 A253 | W82-T182 WeakPolarHBondContact CA-OG1 3.14Å; W82-T182 VanDerWaalsContact CB-OG1 3.3Å; W82-T182 WeakPolarHBondContact CB-OG1 3.32Å; W82-T182 WeakPolarHBondContact O-CG2 3.34Å; A85-T182 HydrophobicContact CB-CG2 4.48Å; A86-T182 HydrophobicContact CB-CG2 4.24Å; T182-D184 PolarHBondContact O-N 3.46Å; T182-A185 PolarHBondContact O-N 2.75Å; T182-L186 HydrophobicContact CG2-CD1 4.26Å; T182-L186 HydrophobicContact CG2-CG 4.27Å; T182-L186 VanDerWaalsContact O-CG 3.28Å; T182-L186 WeakPolarHBondContact O-CG 3.39Å; T182-L186 PolarHBondContact O-N 3.07Å; T182-S229 WeakPolarHBondContact CG2-OG 3.46Å; T182-A253 WeakPolarHBondContact OG1-CB 3.29Å |
| 183 | A | 86.4 | Confident | 84.6 | Confident | 11 Ų | 11 | 15.5 Ų | 15.5 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.2 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N181 V187 S194 I338 | N181-A183 PolarHBondContact O-N 3.21Å; N181-A183 WeakPolarHBondContact OD1-CB 3.21Å; N181-A183 PolarHBondContact OD1-N 3.5Å; A183-V187 WeakPolarHBondContact O-CG2 3.3Å; A183-V187 PolarHBondContact O-N 3.16Å; A183-S194 VanDerWaalsContact CB-OG 3.23Å; A183-S194 WeakPolarHBondContact CB-OG 3.27Å; A183-I338 HydrophobicContact CB-CD1 4.16Å; A183-I338 HydrophobicContact CB-CG2 3.81Å |
| 184 | D | 86.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.5 | -44.9 | -177.7 | -73 | -33.6 | 0 | 0 | 0 | 111.8 | N181 T182 L186 V187 D188 R456 | N181-D184 HydrophobicContact CB-CB 4.48Å; N181-D184 WeakPolarHBondContact O-CB 3.46Å; N181-D184 PolarHBondContact O-N 3.43Å; T182-D184 PolarHBondContact O-N 3.46Å; D184-L186 VanDerWaalsContact C-N 3.34Å; D184-L186 PolarHBondContact O-N 2.96Å; D184-V187 PolarHBondContact O-N 2.83Å; D184-D188 VanDerWaalsContact O-CG 3.27Å; D184-D188 PolarHBondContact O-N 2.8Å; D184-R456 VanDerWaalsContact C-NH2 3.33Å; D184-R456 VanDerWaalsContact CB-CZ 3.41Å; D184-R456 VanDerWaalsContact CB-NH2 3.28Å; D184-R456 PolarHBondContact O-NH2 3.28Å; D184-R456 WeakPolarHBondContact OD1-CB 3.39Å; D184-R456 IonicContact OD1-CZ 3.88Å; D184-R456 IonicContact OD1-NE 2.79Å; D184-R456 PolarHBondContact OD1-NE 2.62Å; D184-R456 IonicContact OD1-NH2 3.32Å; D184-R456 PolarHBondContact OD1-NH2 3.48Å; D184-R456 WeakPolarHBondContact OD2-CB 3.33Å; D184-R456 IonicContact OD2-NE 3.69Å |
| 185 | A | 88.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W82 A86 N181 T182 V187 D188 F189 | W82-A185 HydrophobicContact CE3-CB 3.7Å; W82-A185 HydrophobicContact CZ3-CB 3.54Å; A86-A185 HydrophobicContact CB-CB 3.47Å; A86-A185 VanDerWaalsContact CB-CB 3.47Å; N181-A185 PolarHBondContact O-N 3.31Å; T182-A185 PolarHBondContact O-N 2.75Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 2.89Å; A185-D188 PolarHBondContact O-N 2.79Å; A185-D188 VanDerWaalsContact O-N 3.09Å; A185-F189 HydrophobicContact CB-CE2 4.11Å; A185-F189 HydrophobicContact CB-CZ 4.37Å; A185-F189 VanDerWaalsContact O-CD2 3.29Å; A185-F189 WeakPolarHBondContact O-CD2 3.31Å; A185-F189 VanDerWaalsContact O-CG 3.28Å; A185-F189 WeakPolarHBondContact O-CG 3.46Å; A185-F189 PolarHBondContact O-N 2.78Å |
| 186 | L | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.5 | -69.3 | 177.6 | 0 | 0 | 0 | 112.4 | A86 T182 D184 T190 L227 I338 C340 | A86-L186 HydrophobicContact CB-CD2 3.75Å; A86-L186 HydrophobicContact CB-CG 4.09Å; T182-L186 HydrophobicContact CG2-CD1 4.26Å; T182-L186 HydrophobicContact CG2-CG 4.27Å; T182-L186 VanDerWaalsContact O-CG 3.28Å; T182-L186 WeakPolarHBondContact O-CG 3.39Å; T182-L186 PolarHBondContact O-N 3.07Å; D184-L186 VanDerWaalsContact C-N 3.34Å; D184-L186 PolarHBondContact O-N 2.96Å; L186-T190 WeakPolarHBondContact O-CB 3.3Å; L186-T190 VanDerWaalsContact O-CG2 3.3Å; L186-T190 WeakPolarHBondContact O-CG2 3.49Å; L186-T190 PolarHBondContact O-N 3.15Å; L186-T190 PolarHBondContact O-OG1 2.87Å; L186-L227 HydrophobicContact CD2-CB 3.68Å; L186-L227 HydrophobicContact CD2-CD1 3.77Å; L186-L227 HydrophobicContact CD2-CG 4.39Å; L186-I338 HydrophobicContact CD1-CG2 3.97Å; L186-C340 HydrophobicContact CB-CB 3.82Å; L186-C340 HydrophobicContact CD1-CB 4.07Å; L186-C340 HydrophobicContact CG-CB 4.49Å |
| 187 | V | 89.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | W126 A183 D184 A185 F189 T190 G191 | W126-V187 HydrophobicContact CE3-CG1 3.56Å; W126-V187 HydrophobicContact CH2-CG1 4.36Å; W126-V187 HydrophobicContact CZ3-CG1 3.42Å; W126-V187 VanDerWaalsContact CZ3-CG1 3.42Å; A183-V187 WeakPolarHBondContact O-CG2 3.3Å; A183-V187 PolarHBondContact O-N 3.16Å; D184-V187 PolarHBondContact O-N 2.83Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 2.89Å; V187-F189 VanDerWaalsContact C-N 3.26Å; V187-F189 PolarHBondContact O-N 3.25Å; V187-T190 PolarHBondContact O-N 2.98Å; V187-G191 WeakPolarHBondContact O-CA 3.12Å; V187-G191 PolarHBondContact O-N 3.11Å |
| 188 | D | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -29.4 | 179.8 | -70.4 | 4.8 | 0 | 0 | 0 | 112.2 | W126 R127 Y167 Y171 D184 A185 R456 | W126-D188 PolarHBondContact N-O 2.84Å; W126-D188 WeakPolarHBondContact O-CA 3.43Å; R127-D188 IonicContact NH1-OD2 3.59Å; R127-D188 PolarHBondContact NH1-OD2 2.75Å; R127-D188 VanDerWaalsContact NH1-OD2 3.1Å; Y167-D188 HydrophobicContact CE2-CB 4.08Å; Y167-D188 PolarHBondContact OH-OD2 3.08Å; Y171-D188 PolarHBondContact OH-OD2 2.68Å; D184-D188 VanDerWaalsContact O-CG 3.27Å; D184-D188 PolarHBondContact O-N 2.8Å; A185-D188 PolarHBondContact O-N 2.79Å; A185-D188 VanDerWaalsContact O-N 3.09Å; D188-R456 VanDerWaalsContact CG-NH1 3.32Å; D188-R456 IonicContact OD1-CZ 3.79Å; D188-R456 IonicContact OD1-NH1 2.71Å; D188-R456 PolarHBondContact OD1-NH1 3.32Å; D188-R456 IonicContact OD1-NH2 3.75Å; D188-R456 PolarHBondContact OD1-NH2 3.48Å; D188-R456 IonicContact OD2-CZ 2.79Å; D188-R456 IonicContact OD2-NH1 2.65Å; D188-R456 PolarHBondContact OD2-NH1 3.35Å; D188-R456 IonicContact OD2-NH2 3.59Å |
| 189 | F | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -83.8 | -20.4 | 176.2 | -59.1 | -30.4 | 0 | 0 | 0 | 114.5 | F83 A86 C87 L90 V100 F125 W131 A185 V187 | F83-F189 AromaticContact CD2-CZ 3.85Å; F83-F189 HydrophobicContact CD2-CZ 3.85Å; F83-F189 AromaticContact CE2-CE1 3.96Å; F83-F189 HydrophobicContact CE2-CE1 3.96Å; F83-F189 AromaticContact CE2-CZ 3.42Å; F83-F189 HydrophobicContact CE2-CZ 3.42Å; F83-F189 VanDerWaalsContact CE2-CZ 3.42Å; F83-F189 HydrophobicContact CZ-CZ 4.09Å; A86-F189 HydrophobicContact CB-CD2 4.07Å; A86-F189 HydrophobicContact CB-CE2 3.6Å; C87-F189 VanDerWaalsContact SG-CZ 3.54Å; L90-F189 HydrophobicContact CB-CD2 4.36Å; L90-F189 HydrophobicContact CD1-CB 4.14Å; L90-F189 HydrophobicContact CD2-CB 4.14Å; L90-F189 HydrophobicContact CD2-CD1 4.38Å; L90-F189 HydrophobicContact CD2-CD2 4.09Å; L90-F189 HydrophobicContact CD2-CG 3.97Å; V100-F189 HydrophobicContact CG1-CD1 4.48Å; V100-F189 HydrophobicContact CG2-CB 4.08Å; V100-F189 HydrophobicContact CG2-CD1 4.39Å; V100-F189 WeakPolarHBondContact CG2-O 3.43Å; F125-F189 AromaticContact CD1-CD1 3.99Å; F125-F189 HydrophobicContact CD1-CD1 3.99Å; F125-F189 AromaticContact CD1-CE1 3.99Å; F125-F189 HydrophobicContact CD1-CE1 3.99Å; F125-F189 HydrophobicContact CE1-CD1 4.09Å; F125-F189 AromaticContact CE1-CE1 3.74Å; F125-F189 HydrophobicContact CE1-CE1 3.74Å; W131-F189 WeakPolarHBondContact CH2-O 3.48Å; A185-F189 HydrophobicContact CB-CE2 4.11Å; A185-F189 HydrophobicContact CB-CZ 4.37Å; A185-F189 VanDerWaalsContact O-CD2 3.29Å; A185-F189 WeakPolarHBondContact O-CD2 3.31Å; A185-F189 VanDerWaalsContact O-CG 3.28Å; A185-F189 WeakPolarHBondContact O-CG 3.46Å; A185-F189 PolarHBondContact O-N 2.78Å; V187-F189 VanDerWaalsContact C-N 3.26Å; V187-F189 PolarHBondContact O-N 3.25Å |
| 190 | T | 86.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -118.8 | -27.1 | -169 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | L96 L186 V187 G192 L227 C340 L342 | L96-T190 HydrophobicContact CD1-CG2 3.97Å; L96-T190 HydrophobicContact CD2-CG2 4.28Å; L186-T190 WeakPolarHBondContact O-CB 3.3Å; L186-T190 VanDerWaalsContact O-CG2 3.3Å; L186-T190 WeakPolarHBondContact O-CG2 3.49Å; L186-T190 PolarHBondContact O-N 3.15Å; L186-T190 PolarHBondContact O-OG1 2.87Å; V187-T190 PolarHBondContact O-N 2.98Å; T190-G192 PolarHBondContact O-N 3.31Å; T190-G192 PolarHBondContact OG1-N 2.9Å; T190-L227 HydrophobicContact CG2-CD1 3.49Å; T190-L227 VanDerWaalsContact CG2-CD1 3.49Å; T190-L227 HydrophobicContact CG2-CG 3.99Å; T190-C340 PolarHBondContact OG1-SG 2.86Å; T190-L342 HydrophobicContact CG2-CD2 4.12Å |
| 191 | G | 85.4 | Confident | 86.3 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | trans | 65.9 | 9.3 | -161.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W126 V187 R487 | W126-G191 VanDerWaalsContact CD1-CA 3.48Å; V187-G191 WeakPolarHBondContact O-CA 3.12Å; V187-G191 PolarHBondContact O-N 3.11Å; G191-R487 PolarHBondContact O-NH1 2.92Å | ||
| 192 | G | 87 | Confident | 85.4 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | trans | -72.7 | -166.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T190 R341 R487 | T190-G192 PolarHBondContact O-N 3.31Å; T190-G192 PolarHBondContact OG1-N 2.9Å; G192-R341 CarbonylContact C-O 3.59Å; G192-R341 VanDerWaalsContact CA-O 3.27Å; G192-R341 WeakPolarHBondContact CA-O 3.26Å; G192-R487 PolarHBondContact O-NH1 2.92Å; G192-R487 PolarHBondContact O-NH2 3.34Å | ||
| 193 | V | 87.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.2 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | C340 R341 I343 C405 F459 F489 | V193-C340 WeakPolarHBondContact O-CA 3.3Å; V193-R341 PolarHBondContact N-O 2.84Å; V193-R341 PolarHBondContact O-N 3.41Å; V193-I343 HydrophobicContact CB-CG1 4.48Å; V193-I343 HydrophobicContact CG2-CD1 4.43Å; V193-I343 HydrophobicContact CG2-CG1 3.74Å; V193-C405 HydrophobicContact CG1-CB 4.04Å; V193-F459 HydrophobicContact CG1-CD2 3.31Å; V193-F459 HydrophobicContact CG1-CE2 3.41Å; V193-F459 VanDerWaalsContact CG1-CE2 3.41Å; V193-F459 HydrophobicContact CG1-CG 4.41Å; V193-F489 HydrophobicContact CG2-CD2 4.27Å; V193-F489 HydrophobicContact CG2-CE1 4.46Å; V193-F489 HydrophobicContact CG2-CE2 3.38Å; V193-F489 HydrophobicContact CG2-CZ 3.49Å; V193-F489 VanDerWaalsContact CG2-CZ 3.49Å |
| 194 | S | 88.9 | Confident | 83.9 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.7 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | A183 I338 F459 | A183-S194 VanDerWaalsContact CB-OG 3.23Å; A183-S194 WeakPolarHBondContact CB-OG 3.27Å; S194-I338 WeakPolarHBondContact OG-CG2 3.33Å; S194-F459 WeakPolarHBondContact O-CB 3.48Å |
| 195 | E | 90.1 | Very high | 82.9 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 107.3 | 173.7 | 173.3 | 171.2 | -150.2 | 0 | 0 | 109.7 | V197 R217 L339 R341 F459 | E195-V197 HydrophobicContact CG-CG2 4.2Å; E195-R217 VanDerWaalsContact CD-NH1 3.25Å; E195-R217 IonicContact OE1-CZ 3.53Å; E195-R217 IonicContact OE1-NH1 2.65Å; E195-R217 PolarHBondContact OE1-NH1 3.18Å; E195-R217 IonicContact OE1-NH2 2.68Å; E195-R217 PolarHBondContact OE1-NH2 3.38Å; E195-R217 IonicContact OE2-CZ 3.3Å; E195-R217 VanDerWaalsContact OE2-CZ 3.23Å; E195-R217 IonicContact OE2-NE 3.49Å; E195-R217 IonicContact OE2-NH1 2.98Å; E195-R217 IonicContact OE2-NH2 2.64Å; E195-R217 PolarHBondContact OE2-NH2 2.82Å; E195-L339 HydrophobicContact CB-CB 4.33Å; E195-L339 PolarHBondContact N-O 2.8Å; E195-L339 PolarHBondContact O-N 2.81Å; E195-R341 IonicContact OE2-CZ 3.74Å; E195-R341 IonicContact OE2-NE 3.94Å; E195-R341 PolarHBondContact OE2-NE 2.96Å; E195-R341 IonicContact OE2-NH2 3.1Å; E195-R341 PolarHBondContact OE2-NH2 2.93Å; E195-F459 HydrophobicContact CB-CD1 3.79Å; E195-F459 HydrophobicContact CB-CE1 3.68Å; E195-F459 HydrophobicContact CB-CG 4.41Å; E195-F459 HydrophobicContact CB-CZ 4.19Å; E195-F459 VanDerWaalsContact CD-CE1 3.42Å; E195-F459 HydrophobicContact CG-CD1 3.68Å; E195-F459 HydrophobicContact CG-CE1 3.47Å; E195-F459 VanDerWaalsContact CG-CE1 3.47Å; E195-F459 HydrophobicContact CG-CZ 4.34Å; E195-F459 WeakPolarHBondContact OE1-CE1 3.28Å |
| 196 | P | 87.9 | Confident | 82.1 | Confident | 81 Ų | 81 | 38 Ų | 38 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.2 | 170.1 | 31 | -32 | 0 | 0 | 0 | 110.2 | L337 | P196-L337 CarbonylContact C-O 3.52Å |
| 197 | V | 87.9 | Confident | 81.8 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 116.7 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | E195 L199 L214 L337 L339 | E195-V197 HydrophobicContact CG-CG2 4.2Å; V197-L199 HydrophobicContact CG1-CD2 4.33Å; V197-L214 HydrophobicContact CG1-CD1 4.07Å; V197-L337 HydrophobicContact CB-CB 4.3Å; V197-L337 PolarHBondContact N-O 2.98Å; V197-L337 PolarHBondContact O-N 3.25Å; V197-L339 HydrophobicContact CG2-CD1 4.13Å |
| 198 | D | 86 | Confident | 81.4 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 116.5 | 172.3 | -169.2 | -47.8 | 0 | 0 | 0 | 108.9 | L200 E201 G202 R233 | D198-L200 WeakPolarHBondContact OD1-CA 3.37Å; D198-L200 WeakPolarHBondContact OD1-CB 3.4Å; D198-L200 PolarHBondContact OD1-N 2.76Å; D198-E201 HydrophobicContact CB-CB 4.15Å; D198-E201 PolarHBondContact OD1-N 3.33Å; D198-G202 PolarHBondContact O-N 3.38Å; D198-R233 IonicContact OD2-CZ 3.67Å; D198-R233 IonicContact OD2-NH1 3.1Å; D198-R233 IonicContact OD2-NH2 3.66Å; D198-R233 PolarHBondContact OD2-NH2 3.01Å |
| 199 | L | 84.7 | Confident | 81 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -24 | -177.5 | -59.2 | 175.7 | 0 | 0 | 0 | 112.2 | V197 M204 L214 F330 F334 T335 L337 | V197-L199 HydrophobicContact CG1-CD2 4.33Å; L199-M204 HydrophobicContact CD2-CG 4.3Å; L199-M204 WeakPolarHBondContact O-CG 3.46Å; L199-M204 PolarHBondContact O-N 3.33Å; L199-L214 HydrophobicContact CD2-CD2 3.38Å; L199-F330 HydrophobicContact CD1-CD1 4.4Å; L199-F330 HydrophobicContact CD1-CE1 3.63Å; L199-F330 HydrophobicContact CD1-CZ 3.96Å; L199-F334 HydrophobicContact CD1-CB 3.89Å; L199-F334 WeakPolarHBondContact CD1-O 3.29Å; L199-T335 WeakPolarHBondContact CB-O 3.28Å; L199-T335 PolarHBondContact N-O 3.18Å; L199-L337 HydrophobicContact CD1-CB 4.36Å; L199-L337 HydrophobicContact CD2-CB 4.28Å; L199-L337 HydrophobicContact CG-CB 4.38Å |
| 200 | L | 80.7 | Confident | 80.7 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -48 | 179.4 | -59.4 | 175 | 0 | 0 | 0 | 110.7 | D198 G202 Q203 T335 | D198-L200 WeakPolarHBondContact OD1-CA 3.37Å; D198-L200 WeakPolarHBondContact OD1-CB 3.4Å; D198-L200 PolarHBondContact OD1-N 2.76Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 3.38Å; L200-Q203 PolarHBondContact O-N 2.67Å; L200-Q203 VanDerWaalsContact O-N 3.16Å; L200-T335 HydrophobicContact CD1-CG2 3.9Å; L200-T335 HydrophobicContact CD2-CG2 4.4Å; L200-T335 HydrophobicContact CG-CG2 4.24Å |
| 201 | E | 73.6 | Confident | 80.6 | Confident | 163 Ų | 163 | 51.9 Ų | 51.9 | 76% | 0.762 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.7 | 178.9 | -169.9 | 178 | -173 | 0 | 0 | 111.4 | D198 Q203 | D198-E201 HydrophobicContact CB-CB 4.15Å; D198-E201 PolarHBondContact OD1-N 3.33Å; E201-Q203 PolarHBondContact O-N 2.96Å |
| 202 | G | 63.5 | Low | 80.5 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -5.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D198 L200 M204 | D198-G202 PolarHBondContact O-N 3.38Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 3.38Å; G202-M204 PolarHBondContact O-N 3.18Å; G202-M204 VanDerWaalsContact O-N 3.14Å |
| 203 | Q | 70.1 | Confident | 80.5 | Confident | 129 Ų | 129 | 60.3 Ų | 60.3 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 33 | -174.1 | -61.7 | -178.7 | 22.6 | 0 | 0 | 112.8 | L200 E201 A205 T206 D207 | L200-Q203 PolarHBondContact O-N 2.67Å; L200-Q203 VanDerWaalsContact O-N 3.16Å; E201-Q203 PolarHBondContact O-N 2.96Å; Q203-A205 PolarHBondContact O-N 3.04Å; Q203-T206 PolarHBondContact O-N 2.95Å; Q203-T206 PolarHBondContact O-OG1 3.16Å; Q203-T206 VanDerWaalsContact O-OG1 3.09Å; Q203-D207 PolarHBondContact O-N 3.46Å |
| 204 | M | 69.3 | Low | 80.5 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.3 | -170.4 | -52.4 | -54.5 | -110.7 | 0 | 0 | 112.5 | L199 G202 T206 S210 R211 L214 C331 | L199-M204 HydrophobicContact CD2-CG 4.3Å; L199-M204 WeakPolarHBondContact O-CG 3.46Å; L199-M204 PolarHBondContact O-N 3.33Å; G202-M204 PolarHBondContact O-N 3.18Å; G202-M204 VanDerWaalsContact O-N 3.14Å; M204-T206 VanDerWaalsContact C-N 3.35Å; M204-S210 WeakPolarHBondContact CE-O 3.04Å; M204-R211 WeakPolarHBondContact O-CD 3.23Å; M204-R211 PolarHBondContact O-NH1 2.76Å; M204-R211 VanDerWaalsContact O-NH1 3.16Å; M204-L214 HydrophobicContact CE-CB 3.39Å; M204-L214 HydrophobicContact CE-CD1 4.3Å; M204-L214 HydrophobicContact CE-CD2 3.55Å; M204-L214 HydrophobicContact CE-CG 3.91Å; M204-L214 HydrophobicContact CG-CD2 4.44Å; M204-C331 HydrophobicContact CB-CB 4.2Å |
| 205 | A | 64.6 | Low | 80.4 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -35.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q203 R211 Q332 | Q203-A205 PolarHBondContact O-N 3.04Å; A205-R211 PolarHBondContact O-NH1 3.09Å; A205-R211 VanDerWaalsContact O-NH1 3.1Å; A205-Q332 HydrophobicContact CB-CG 4.3Å |
| 206 | T | 72.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -30.2 | -171.9 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | Q203 M204 | Q203-T206 PolarHBondContact O-N 2.95Å; Q203-T206 PolarHBondContact O-OG1 3.16Å; Q203-T206 VanDerWaalsContact O-OG1 3.09Å; M204-T206 VanDerWaalsContact C-N 3.35Å |
| 207 | D | 82.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | trans | -97.1 | 107 | 179 | -179.4 | 14.9 | 0 | 0 | 0 | 112 | Q203 A209 S210 R211 | Q203-D207 PolarHBondContact O-N 3.46Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 3.47Å; D207-A209 WeakPolarHBondContact OD1-CB 3.47Å; D207-A209 PolarHBondContact OD1-N 3.08Å; D207-S210 PolarHBondContact O-N 2.96Å; D207-S210 WeakPolarHBondContact OD2-CB 3.32Å; D207-S210 PolarHBondContact OD2-N 3.17Å; D207-S210 PolarHBondContact OD2-OG 2.97Å; D207-R211 WeakPolarHBondContact O-CB 3.18Å; D207-R211 PolarHBondContact O-N 3.17Å | ||
| 208 | E | 80.9 | Confident | 80.4 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.5 | -35.2 | 177.7 | -170.7 | -176.5 | 168.1 | 0 | 0 | 112.7 | N212 | E208-N212 WeakPolarHBondContact O-CB 3.25Å; E208-N212 VanDerWaalsContact O-CG 3.29Å; E208-N212 PolarHBondContact O-N 2.95Å; E208-N212 PolarHBondContact O-ND2 2.99Å; E208-N212 VanDerWaalsContact O-ND2 3.13Å |
| 209 | A | 83.3 | Confident | 80.5 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.5 | -48.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | D207 R211 N212 Q213 | D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 3.47Å; D207-A209 WeakPolarHBondContact OD1-CB 3.47Å; D207-A209 PolarHBondContact OD1-N 3.08Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 2.87Å; A209-N212 PolarHBondContact O-N 3.16Å; A209-Q213 WeakPolarHBondContact O-CG 3.16Å; A209-Q213 PolarHBondContact O-N 2.85Å |
| 210 | S | 81.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | M204 D207 Q213 L214 | M204-S210 WeakPolarHBondContact CE-O 3.04Å; D207-S210 PolarHBondContact O-N 2.96Å; D207-S210 WeakPolarHBondContact OD2-CB 3.32Å; D207-S210 PolarHBondContact OD2-N 3.17Å; D207-S210 PolarHBondContact OD2-OG 2.97Å; S210-Q213 PolarHBondContact O-N 2.84Å; S210-L214 PolarHBondContact O-N 2.74Å |
| 211 | R | 84.6 | Confident | 80.9 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 174.8 | -173.1 | 166.4 | 61.5 | -120.3 | 7.6 | 112.5 | M204 A205 D207 A209 Q213 L214 F215 F327 D328 | M204-R211 WeakPolarHBondContact O-CD 3.23Å; M204-R211 PolarHBondContact O-NH1 2.76Å; M204-R211 VanDerWaalsContact O-NH1 3.16Å; A205-R211 PolarHBondContact O-NH1 3.09Å; A205-R211 VanDerWaalsContact O-NH1 3.1Å; D207-R211 WeakPolarHBondContact O-CB 3.18Å; D207-R211 PolarHBondContact O-N 3.17Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 2.87Å; R211-Q213 PolarHBondContact O-N 3Å; R211-L214 PolarHBondContact O-N 3.46Å; R211-F215 PolarHBondContact O-N 3.18Å; R211-F327 HydrophobicContact CG-CD1 3.69Å; R211-F327 HydrophobicContact CG-CE1 3.74Å; R211-F327 WeakPolarHBondContact O-CE1 3.45Å; R211-D328 WeakPolarHBondContact CD-OD1 3.16Å; R211-D328 IonicContact CZ-OD1 2.65Å; R211-D328 VanDerWaalsContact CZ-OD1 3.28Å; R211-D328 IonicContact NE-OD1 2.76Å; R211-D328 PolarHBondContact NE-OD1 2.87Å; R211-D328 IonicContact NH2-OD1 3.65Å; R211-D328 PolarHBondContact NH2-OD1 2.88Å |
| 212 | N | 84.9 | Confident | 81.5 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.9 | -76.4 | -34.9 | 0 | 0 | 0 | 112 | E208 A209 L214 F215 E216 H278 | E208-N212 WeakPolarHBondContact O-CB 3.25Å; E208-N212 VanDerWaalsContact O-CG 3.29Å; E208-N212 PolarHBondContact O-N 2.95Å; E208-N212 PolarHBondContact O-ND2 2.99Å; E208-N212 VanDerWaalsContact O-ND2 3.13Å; A209-N212 PolarHBondContact O-N 3.16Å; N212-L214 VanDerWaalsContact C-N 3.35Å; N212-L214 PolarHBondContact O-N 2.91Å; N212-F215 PolarHBondContact O-N 3.01Å; N212-E216 WeakPolarHBondContact O-CG 3.32Å; N212-E216 PolarHBondContact O-N 3.19Å; N212-E216 VanDerWaalsContact O-N 3.09Å; N212-H278 PolarHBondContact OD1-CE1 2.83Å; N212-H278 VanDerWaalsContact OD1-CE1 3.24Å; N212-H278 PolarHBondContact OD1-ND1 3.3Å |
| 213 | Q | 86.1 | Confident | 82.5 | Confident | 142 Ų | 142 | 57 Ų | 57 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 175.7 | -72.9 | -178.1 | 10.2 | 0 | 0 | 112.4 | A209 S210 R211 R217 | A209-Q213 WeakPolarHBondContact O-CG 3.16Å; A209-Q213 PolarHBondContact O-N 2.85Å; S210-Q213 PolarHBondContact O-N 2.84Å; R211-Q213 PolarHBondContact O-N 3Å; Q213-R217 WeakPolarHBondContact O-CB 3.34Å; Q213-R217 PolarHBondContact O-N 3.04Å; Q213-R217 VanDerWaalsContact O-N 3.1Å |
| 214 | L | 86.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.1 | 180 | 65.9 | 0 | 0 | 0 | 111.3 | V197 L199 M204 S210 R211 N212 E216 R217 V218 F327 L337 | V197-L214 HydrophobicContact CG1-CD1 4.07Å; L199-L214 HydrophobicContact CD2-CD2 3.38Å; M204-L214 HydrophobicContact CE-CB 3.39Å; M204-L214 HydrophobicContact CE-CD1 4.3Å; M204-L214 HydrophobicContact CE-CD2 3.55Å; M204-L214 HydrophobicContact CE-CG 3.91Å; M204-L214 HydrophobicContact CG-CD2 4.44Å; S210-L214 PolarHBondContact O-N 2.74Å; R211-L214 PolarHBondContact O-N 3.46Å; N212-L214 VanDerWaalsContact C-N 3.35Å; N212-L214 PolarHBondContact O-N 2.91Å; L214-E216 PolarHBondContact O-N 3.28Å; L214-R217 CarbonylContact O-C 3.45Å; L214-R217 WeakPolarHBondContact O-CA 3.47Å; L214-R217 VanDerWaalsContact O-CB 3.31Å; L214-R217 WeakPolarHBondContact O-CB 3.43Å; L214-R217 PolarHBondContact O-N 2.79Å; L214-V218 HydrophobicContact CD1-CG2 4.2Å; L214-V218 HydrophobicContact CG-CG2 4.21Å; L214-V218 WeakPolarHBondContact O-CG2 3.47Å; L214-V218 PolarHBondContact O-N 2.69Å; L214-F327 HydrophobicContact CB-CE1 4.48Å; L214-F327 HydrophobicContact CB-CZ 4.38Å; L214-F327 HydrophobicContact CD2-CE1 4.34Å; L214-F327 HydrophobicContact CD2-CZ 3.82Å; L214-F327 HydrophobicContact CG-CE1 4.46Å; L214-F327 HydrophobicContact CG-CZ 3.91Å; L214-L337 HydrophobicContact CD1-CD2 4.14Å; L214-L337 HydrophobicContact CD2-CD2 4.33Å |
| 215 | F | 88.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 178 | -177.2 | -95 | 0 | 0 | 0 | 112 | R211 N212 R217 V218 L219 V259 K261 H278 F327 | R211-F215 PolarHBondContact O-N 3.18Å; N212-F215 PolarHBondContact O-N 3.01Å; F215-R217 PolarHBondContact O-N 3.37Å; F215-V218 PolarHBondContact O-N 3.38Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 WeakPolarHBondContact O-CB 3.43Å; F215-L219 PolarHBondContact O-N 3.31Å; F215-V259 HydrophobicContact CD2-CG1 4.39Å; F215-V259 HydrophobicContact CE2-CG1 3.62Å; F215-V259 HydrophobicContact CZ-CG1 3.84Å; F215-K261 HydrophobicContact CE1-CD 4.15Å; F215-K261 VanDerWaalsContact CE1-CE 3.47Å; F215-K261 HydrophobicContact CE1-CG 3.55Å; F215-K261 HydrophobicContact CZ-CG 4.05Å; F215-H278 HydrophobicContact CD1-CB 4.25Å; F215-H278 AromaticContact CD1-CD2 3.67Å; F215-H278 AromaticContact CD1-CG 3.81Å; F215-H278 HydrophobicContact CD2-CB 3.75Å; F215-H278 HydrophobicContact CE1-CB 4.18Å; F215-H278 AromaticContact CE1-CD2 3.52Å; F215-H278 AromaticContact CE1-CG 3.92Å; F215-H278 HydrophobicContact CE2-CB 3.63Å; F215-H278 HydrophobicContact CG-CB 4.05Å; F215-H278 AromaticContact CG-CG 3.94Å; F215-H278 HydrophobicContact CZ-CB 3.85Å; F215-H278 AromaticContact CZ-CD2 3.98Å; F215-F327 HydrophobicContact CB-CD1 3.89Å; F215-F327 HydrophobicContact CB-CE1 3.78Å; F215-F327 HydrophobicContact CB-CG 4.37Å; F215-F327 HydrophobicContact CB-CZ 4.17Å; F215-F327 HydrophobicContact CD2-CB 3.96Å; F215-F327 AromaticContact CD2-CD1 3.98Å; F215-F327 HydrophobicContact CD2-CD1 3.98Å; F215-F327 AromaticContact CD2-CD2 3.63Å; F215-F327 HydrophobicContact CD2-CD2 3.63Å; F215-F327 HydrophobicContact CD2-CE1 4.38Å; F215-F327 HydrophobicContact CD2-CE2 4.06Å; F215-F327 AromaticContact CD2-CG 3.57Å; F215-F327 HydrophobicContact CD2-CG 3.57Å; F215-F327 HydrophobicContact CD2-CZ 4.42Å; F215-F327 HydrophobicContact CE2-CB 4.39Å; F215-F327 HydrophobicContact CE2-CD2 4.3Å; F215-F327 HydrophobicContact CE2-CG 4.37Å; F215-F327 HydrophobicContact CG-CD1 4.37Å; F215-F327 HydrophobicContact CG-CG 4.39Å |
| 216 | E | 88.3 | Confident | 84.8 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 176 | -65.9 | -65 | 175.4 | 0 | 0 | 112 | N212 L214 K220 K261 | N212-E216 WeakPolarHBondContact O-CG 3.32Å; N212-E216 PolarHBondContact O-N 3.19Å; N212-E216 VanDerWaalsContact O-N 3.09Å; L214-E216 PolarHBondContact O-N 3.28Å; E216-K220 VanDerWaalsContact O-CB 3.24Å; E216-K220 WeakPolarHBondContact O-CB 3.07Å; E216-K220 PolarHBondContact O-N 2.82Å; E216-K261 WeakPolarHBondContact OE1-CE 3.41Å; E216-K261 IonicContact OE1-NZ 2.76Å; E216-K261 PolarHBondContact OE1-NZ 2.84Å; E216-K261 IonicContact OE2-NZ 2.73Å; E216-K261 PolarHBondContact OE2-NZ 3.43Å |
| 217 | R | 87.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 178 | 168.5 | 172.9 | 143.8 | 133.9 | 132.6 | 112.3 | E195 Q213 L214 F215 K220 V221 L339 R341 | E195-R217 VanDerWaalsContact CD-NH1 3.25Å; E195-R217 IonicContact OE1-CZ 3.53Å; E195-R217 IonicContact OE1-NH1 2.65Å; E195-R217 PolarHBondContact OE1-NH1 3.18Å; E195-R217 IonicContact OE1-NH2 2.68Å; E195-R217 PolarHBondContact OE1-NH2 3.38Å; E195-R217 IonicContact OE2-CZ 3.3Å; E195-R217 VanDerWaalsContact OE2-CZ 3.23Å; E195-R217 IonicContact OE2-NE 3.49Å; E195-R217 IonicContact OE2-NH1 2.98Å; E195-R217 IonicContact OE2-NH2 2.64Å; E195-R217 PolarHBondContact OE2-NH2 2.82Å; Q213-R217 WeakPolarHBondContact O-CB 3.34Å; Q213-R217 PolarHBondContact O-N 3.04Å; Q213-R217 VanDerWaalsContact O-N 3.1Å; L214-R217 CarbonylContact O-C 3.45Å; L214-R217 WeakPolarHBondContact O-CA 3.47Å; L214-R217 VanDerWaalsContact O-CB 3.31Å; L214-R217 WeakPolarHBondContact O-CB 3.43Å; L214-R217 PolarHBondContact O-N 2.79Å; F215-R217 PolarHBondContact O-N 3.37Å; R217-K220 PolarHBondContact O-N 3.24Å; R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 2.76Å; R217-V221 VanDerWaalsContact O-N 3.11Å; R217-L339 HydrophobicContact CG-CD1 4.14Å; R217-R341 VanDerWaalsContact NH2-NH2 3.14Å |
| 218 | V | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | L214 F215 K220 V221 H222 I228 V259 L337 L339 | L214-V218 HydrophobicContact CD1-CG2 4.2Å; L214-V218 HydrophobicContact CG-CG2 4.21Å; L214-V218 WeakPolarHBondContact O-CG2 3.47Å; L214-V218 PolarHBondContact O-N 2.69Å; F215-V218 PolarHBondContact O-N 3.38Å; V218-K220 VanDerWaalsContact C-N 3.28Å; V218-K220 PolarHBondContact O-N 3.2Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 2.85Å; V218-H222 PolarHBondContact O-N 3.23Å; V218-I228 HydrophobicContact CG1-CD1 3.76Å; V218-V259 HydrophobicContact CG1-CG1 4.3Å; V218-V259 HydrophobicContact CG1-CG2 3.9Å; V218-L337 HydrophobicContact CG2-CD2 3.71Å; V218-L339 HydrophobicContact CG2-CD2 4.13Å |
| 219 | L | 88.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -40.5 | 176.6 | -179 | 62.1 | 0 | 0 | 0 | 112.1 | F215 V221 H222 N223 V259 K261 | F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 WeakPolarHBondContact O-CB 3.43Å; F215-L219 PolarHBondContact O-N 3.31Å; L219-V221 VanDerWaalsContact C-N 3.35Å; L219-V221 PolarHBondContact O-N 2.76Å; L219-H222 PolarHBondContact O-N 3.31Å; L219-N223 WeakPolarHBondContact O-CB 3.15Å; L219-N223 PolarHBondContact O-N 2.88Å; L219-N223 PolarHBondContact O-ND2 2.76Å; L219-V259 HydrophobicContact CB-CG1 4.35Å; L219-V259 HydrophobicContact CD1-CB 4.49Å; L219-V259 HydrophobicContact CD1-CG1 4.34Å; L219-V259 VanDerWaalsContact CD1-O 3.28Å; L219-V259 WeakPolarHBondContact CD1-O 3.43Å; L219-K261 HydrophobicContact CD2-CD 4.38Å; L219-K261 HydrophobicContact CD2-CG 4.38Å |
| 220 | K | 86.9 | Confident | 86.8 | Confident | 89 Ų | 89 | 38.7 Ų | 38.7 | 39% | 0.387 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 176.3 | -177 | 179.4 | 179.7 | -178 | 0 | 112.8 | E216 R217 V218 R224 | E216-K220 VanDerWaalsContact O-CB 3.24Å; E216-K220 WeakPolarHBondContact O-CB 3.07Å; E216-K220 PolarHBondContact O-N 2.82Å; R217-K220 PolarHBondContact O-N 3.24Å; V218-K220 VanDerWaalsContact C-N 3.28Å; V218-K220 PolarHBondContact O-N 3.2Å; K220-R224 VanDerWaalsContact O-CG 3.26Å; K220-R224 WeakPolarHBondContact O-CG 3.23Å; K220-R224 PolarHBondContact O-N 2.96Å |
| 221 | V | 86.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.4 | -48.3 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | R217 V218 L219 N223 R224 G226 I228 L339 R341 | R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 2.76Å; R217-V221 VanDerWaalsContact O-N 3.11Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 2.85Å; L219-V221 VanDerWaalsContact C-N 3.35Å; L219-V221 PolarHBondContact O-N 2.76Å; V221-N223 PolarHBondContact O-N 3.25Å; V221-R224 CarbonylContact O-C 3.56Å; V221-R224 PolarHBondContact O-N 3.09Å; V221-G226 PolarHBondContact O-N 2.85Å; V221-I228 HydrophobicContact CB-CD1 4.29Å; V221-I228 HydrophobicContact CG1-CD1 4.12Å; V221-I228 HydrophobicContact CG1-CG1 3.89Å; V221-L339 HydrophobicContact CG2-CB 4.44Å; V221-L339 HydrophobicContact CG2-CD1 4.47Å; V221-R341 HydrophobicContact CG2-CG 4.11Å; V221-R341 VanDerWaalsContact CG2-CZ 3.45Å |
| 222 | H | 85.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 179.3 | -174.6 | 62 | 0 | 0 | 0 | 113 | R93 V218 L219 R224 D225 I228 T257 D258 V259 | R93-H222 PolarHBondContact NH2-CE1 3.45Å; R93-H222 PolarHBondContact NH2-ND1 2.93Å; R93-H222 PolarHBondContact NH2-O 2.84Å; V218-H222 PolarHBondContact O-N 3.23Å; L219-H222 PolarHBondContact O-N 3.31Å; H222-R224 PolarHBondContact O-N 3.47Å; H222-D225 PolarHBondContact O-N 3.09Å; H222-I228 HydrophobicContact CB-CD1 3.94Å; H222-T257 PolarHBondContact CE1-O 3.09Å; H222-D258 IonicContact CD2-OD1 3.94Å; H222-D258 IonicContact CE1-OD1 3.42Å; H222-D258 IonicContact NE2-OD1 2.75Å; H222-D258 PolarHBondContact NE2-OD1 2.79Å; H222-V259 HydrophobicContact CB-CB 4.41Å; H222-V259 HydrophobicContact CB-CG2 4.37Å |
| 223 | N | 85.1 | Confident | 87 | Confident | 111 Ų | 111 | 40.2 Ų | 40.2 | 59% | 0.594 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.8 | 177.5 | -72.3 | -20.2 | 0 | 0 | 0 | 113.9 | L219 V221 | L219-N223 WeakPolarHBondContact O-CB 3.15Å; L219-N223 PolarHBondContact O-N 2.88Å; L219-N223 PolarHBondContact O-ND2 2.76Å; V221-N223 PolarHBondContact O-N 3.25Å |
| 224 | R | 83.5 | Confident | 86.6 | Confident | 84 Ų | 84 | 34.7 Ų | 34.7 | 32% | 0.317 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 24.8 | 177.1 | -68.1 | -179.8 | 177.6 | -156.8 | -3.8 | 111.7 | K220 V221 H222 G226 | K220-R224 VanDerWaalsContact O-CG 3.26Å; K220-R224 WeakPolarHBondContact O-CG 3.23Å; K220-R224 PolarHBondContact O-N 2.96Å; V221-R224 CarbonylContact O-C 3.56Å; V221-R224 PolarHBondContact O-N 3.09Å; H222-R224 PolarHBondContact O-N 3.47Å; R224-G226 PolarHBondContact O-N 3.13Å; R224-G226 VanDerWaalsContact O-N 3.12Å |
| 225 | D | 82.6 | Confident | 86 | Confident | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 22.4 | -179.7 | -56.2 | -56.6 | 0 | 0 | 0 | 114.3 | R93 H222 L342 | R93-D225 IonicContact CZ-OD1 3.09Å; R93-D225 IonicContact NH1-OD1 2.87Å; R93-D225 PolarHBondContact NH1-OD1 3.32Å; H222-D225 PolarHBondContact O-N 3.09Å; D225-L342 HydrophobicContact CB-CD1 4.03Å; D225-L342 WeakPolarHBondContact O-CD1 3.39Å |
| 226 | G | 85.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -71.6 | 148.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V221 R224 C340 | V221-G226 PolarHBondContact O-N 2.85Å; R224-G226 PolarHBondContact O-N 3.13Å; R224-G226 VanDerWaalsContact O-N 3.12Å; G226-C340 CarbonylContact C-O 3.51Å; G226-C340 WeakPolarHBondContact CA-O 3.41Å | ||
| 227 | L | 88.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.5 | 177.3 | -57 | -175.5 | 0 | 0 | 0 | 110 | S89 R93 L96 L186 T190 C340 | S89-L227 WeakPolarHBondContact O-CD2 3.48Å; R93-L227 HydrophobicContact CB-CD2 4.48Å; R93-L227 HydrophobicContact CG-CD2 3.77Å; L96-L227 HydrophobicContact CD1-CD1 4.24Å; L96-L227 HydrophobicContact CD1-CD2 3.8Å; L96-L227 HydrophobicContact CD1-CG 3.95Å; L186-L227 HydrophobicContact CD2-CB 3.68Å; L186-L227 HydrophobicContact CD2-CD1 3.77Å; L186-L227 HydrophobicContact CD2-CG 4.39Å; T190-L227 HydrophobicContact CG2-CD1 3.49Å; T190-L227 VanDerWaalsContact CG2-CD1 3.49Å; T190-L227 HydrophobicContact CG2-CG 3.99Å; L227-C340 HydrophobicContact CB-CB 4.17Å; L227-C340 PolarHBondContact N-O 3.06Å; L227-C340 WeakPolarHBondContact O-CA 3.36Å; L227-C340 VanDerWaalsContact O-CB 3.3Å; L227-C340 WeakPolarHBondContact O-CB 3.25Å; L227-C340 PolarHBondContact O-N 2.86Å |
| 228 | I | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.7 | -173.8 | -58.6 | 160.6 | 0 | 0 | 0 | 108.7 | S89 V218 V221 H222 V256 L337 I338 L339 | S89-I228 PolarHBondContact OG-O 2.86Å; V218-I228 HydrophobicContact CG1-CD1 3.76Å; V221-I228 HydrophobicContact CB-CD1 4.29Å; V221-I228 HydrophobicContact CG1-CD1 4.12Å; V221-I228 HydrophobicContact CG1-CG1 3.89Å; H222-I228 HydrophobicContact CB-CD1 3.94Å; I228-V256 HydrophobicContact CB-CB 3.84Å; I228-V256 HydrophobicContact CB-CG1 4.29Å; I228-V256 HydrophobicContact CB-CG2 4.41Å; I228-V256 HydrophobicContact CG2-CB 3.67Å; I228-V256 HydrophobicContact CG2-CG1 4.14Å; I228-V256 HydrophobicContact CG2-CG2 3.7Å; I228-V256 PolarHBondContact O-N 2.99Å; I228-L337 HydrophobicContact CG2-CD1 3.72Å; I228-I338 WeakPolarHBondContact CA-O 3.33Å; I228-L339 HydrophobicContact CB-CD2 4.39Å; I228-L339 HydrophobicContact CD1-CD2 4.35Å; I228-L339 HydrophobicContact CG1-CD2 3.83Å; I228-L339 HydrophobicContact CG2-CD2 3.8Å |
| 229 | S | 90.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.2 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | T182 Y254 I338 | T182-S229 WeakPolarHBondContact CG2-OG 3.46Å; S229-Y254 CarbonylContact C-O 3.52Å; S229-Y254 VanDerWaalsContact CA-O 3.26Å; S229-Y254 WeakPolarHBondContact CA-O 3.49Å; S229-Y254 WeakPolarHBondContact CB-O 3.33Å; S229-Y254 PolarHBondContact OG-O 3.42Å; S229-I338 PolarHBondContact N-O 3.43Å; S229-I338 PolarHBondContact O-N 2.89Å |
| 230 | C | 90.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.2 | 177.2 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | Y254 F330 F334 D336 L337 | C230-Y254 PolarHBondContact N-O 2.93Å; C230-Y254 PolarHBondContact O-N 3.33Å; C230-F330 HydrophobicContact CB-CE2 3.73Å; C230-F330 HydrophobicContact CB-CZ 3.76Å; C230-F334 HydrophobicContact CB-CD1 3.75Å; C230-F334 HydrophobicContact CB-CE1 4.08Å; C230-F334 VanDerWaalsContact SG-CE1 3.56Å; C230-D336 CarbonylContact C-O 3.52Å; C230-D336 VanDerWaalsContact CA-O 3.32Å; C230-D336 WeakPolarHBondContact CA-O 3.37Å; C230-L337 HydrophobicContact CB-CD1 4.06Å |
| 231 | S | 88.6 | Confident | 81 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 163 | 176.6 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | H252 T335 D336 | S231-H252 WeakPolarHBondContact CA-O 3.26Å; S231-H252 WeakPolarHBondContact CB-O 3.11Å; S231-T335 PolarHBondContact O-N 3.1Å; S231-T335 PolarHBondContact O-OG1 3.22Å; S231-D336 PolarHBondContact N-O 3.38Å; S231-D336 PolarHBondContact O-N 3.35Å; S231-D336 VanDerWaalsContact O-N 3.16Å |
| 232 | I | 86.2 | Confident | 80.5 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | -112.4 | 120.4 | 175.8 | -53.8 | 175.4 | 0 | 0 | 0 | 107.5 | A234 L244 L248 K250 G251 F334 | I232-A234 PolarHBondContact O-N 3.29Å; I232-L244 HydrophobicContact CD1-CD1 4.34Å; I232-L248 HydrophobicContact CD1-CB 3.74Å; I232-L248 HydrophobicContact CD1-CD1 3.94Å; I232-L248 HydrophobicContact CD1-CG 4.37Å; I232-K250 HydrophobicContact CG2-CG 4.01Å; I232-G251 WeakPolarHBondContact O-CA 3.21Å; I232-G251 PolarHBondContact O-N 3.01Å; I232-F334 HydrophobicContact CD1-CE1 4.38Å; I232-F334 HydrophobicContact CD1-CZ 4.45Å; I232-F334 HydrophobicContact CG1-CD1 3.82Å; I232-F334 HydrophobicContact CG1-CE1 4.02Å; I232-F334 HydrophobicContact CG1-CG 4.23Å | ||
| 233 | R | 82.2 | Confident | 80.1 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | trans | -67.4 | 122 | -175.2 | -165 | 176.1 | -63.6 | 169.8 | -1.7 | 110.5 | D198 T335 D336 | D198-R233 IonicContact OD2-CZ 3.67Å; D198-R233 IonicContact OD2-NH1 3.1Å; D198-R233 IonicContact OD2-NH2 3.66Å; D198-R233 PolarHBondContact OD2-NH2 3.01Å; R233-T335 HydrophobicContact CB-CG2 4.14Å; R233-T335 WeakPolarHBondContact CB-OG1 3.35Å; R233-T335 PolarHBondContact N-OG1 3.23Å; R233-D336 IonicContact CZ-OD1 2.76Å; R233-D336 IonicContact CZ-OD2 3.61Å; R233-D336 IonicContact NE-OD1 3.05Å; R233-D336 IonicContact NE-OD2 3.13Å; R233-D336 PolarHBondContact NE-OD2 3Å; R233-D336 VanDerWaalsContact NE-OD2 3.16Å; R233-D336 IonicContact NH2-OD1 2.7Å; R233-D336 PolarHBondContact NH2-OD1 2.95Å; R233-D336 IonicContact NH2-OD2 2.8Å; R233-D336 PolarHBondContact NH2-OD2 2.84Å | ||
| 234 | A | 77.6 | Confident | 79.8 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | trans | -85.4 | 127.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | I232 D239 M240 K250 | I232-A234 PolarHBondContact O-N 3.29Å; A234-D239 HydrophobicContact CB-CB 4.01Å; A234-M240 HydrophobicContact CB-CG 4Å; A234-K250 HydrophobicContact CB-CB 4.42Å | ||
| 235 | T | 73.8 | Confident | 79.2 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 72% | 0.718 | 34% | 0.343 | S | S | * | . | trans | -91.5 | -21.3 | -179.2 | 40.3 | 0 | 0 | 0 | 0 | 113.4 | D239 | T235-D239 PolarHBondContact OG1-OD2 3.22Š| ||
| 236 | T | 72.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 37% | 0.368 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -129.8 | 163.2 | 179.7 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | E238 D239 M240 | T236-E238 VanDerWaalsContact C-N 3.28Å; T236-E238 WeakPolarHBondContact CB-OE2 3.3Å; T236-D239 WeakPolarHBondContact O-CB 3.37Å; T236-D239 PolarHBondContact O-N 3.1Å; T236-D239 VanDerWaalsContact OG1-CB 3.3Å; T236-D239 WeakPolarHBondContact OG1-CB 3.43Å; T236-D239 PolarHBondContact OG1-N 2.82Å; T236-D239 PolarHBondContact OG1-OD2 2.68Å; T236-M240 PolarHBondContact O-N 2.79Å |
| 237 | V | 69.5 | Low | 78 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -69.7 | -32.4 | 175 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | D239 M240 | V237-D239 PolarHBondContact O-N 3.32Å; V237-M240 WeakPolarHBondContact O-CB 3.39Å; V237-M240 PolarHBondContact O-N 2.87Å; V237-M240 VanDerWaalsContact O-N 3.15Å |
| 238 | E | 67.2 | Low | 77.7 | Confident | 164 Ų | 164 | 63.7 Ų | 63.7 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.8 | 173.8 | -57.3 | 89.7 | 178 | 0 | 0 | 112.7 | T236 | T236-E238 VanDerWaalsContact C-N 3.28Å; T236-E238 WeakPolarHBondContact CB-OE2 3.3Å |
| 239 | D | 72.3 | Confident | 77.2 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14 | 173 | -76.6 | -57.7 | 0 | 0 | 0 | 113.2 | A234 T235 T236 V237 E241 A242 K250 | A234-D239 HydrophobicContact CB-CB 4.01Å; T235-D239 PolarHBondContact OG1-OD2 3.22Å; T236-D239 WeakPolarHBondContact O-CB 3.37Å; T236-D239 PolarHBondContact O-N 3.1Å; T236-D239 VanDerWaalsContact OG1-CB 3.3Å; T236-D239 WeakPolarHBondContact OG1-CB 3.43Å; T236-D239 PolarHBondContact OG1-N 2.82Å; T236-D239 PolarHBondContact OG1-OD2 2.68Å; V237-D239 PolarHBondContact O-N 3.32Å; D239-E241 PolarHBondContact O-N 2.79Å; D239-A242 VanDerWaalsContact O-CB 3.28Å; D239-A242 WeakPolarHBondContact O-CB 3.46Å; D239-A242 PolarHBondContact O-N 3.34Å; D239-K250 HydrophobicContact CB-CD 4.16Å; D239-K250 VanDerWaalsContact O-CB 3.26Å; D239-K250 WeakPolarHBondContact O-CB 3.24Å; D239-K250 IonicContact OD1-NZ 2.77Å; D239-K250 PolarHBondContact OD1-NZ 3.22Å |
| 240 | M | 69.5 | Low | 76.8 | Confident | 123 Ų | 123 | 66 Ų | 66 | 61% | 0.606 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 128.8 | 178.5 | -103.6 | -153.8 | 176.4 | 0 | 0 | 110 | A234 T236 V237 A242 | A234-M240 HydrophobicContact CB-CG 4Å; T236-M240 PolarHBondContact O-N 2.79Å; V237-M240 WeakPolarHBondContact O-CB 3.39Å; V237-M240 PolarHBondContact O-N 2.87Å; V237-M240 VanDerWaalsContact O-N 3.15Å; M240-A242 PolarHBondContact O-N 2.76Å; M240-A242 VanDerWaalsContact O-N 3.07Å |
| 241 | E | 71.4 | Confident | 76.2 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 15.7 | -175.6 | -58.1 | -172.7 | 161.2 | 0 | 0 | 113.8 | D239 V249 K250 W286 | D239-E241 PolarHBondContact O-N 2.79Å; E241-V249 HydrophobicContact CB-CG1 4.36Å; E241-K250 WeakPolarHBondContact CA-O 3.28Å; E241-K250 PolarHBondContact N-O 3.22Å; E241-W286 HydrophobicContact CB-CH2 4.13Å; E241-W286 HydrophobicContact CG-CH2 4.31Å; E241-W286 HydrophobicContact CG-CZ2 4.24Å |
| 242 | A | 75.6 | Confident | 75.8 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 134.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D239 M240 K250 | D239-A242 VanDerWaalsContact O-CB 3.28Å; D239-A242 WeakPolarHBondContact O-CB 3.46Å; D239-A242 PolarHBondContact O-N 3.34Å; M240-A242 PolarHBondContact O-N 2.76Å; M240-A242 VanDerWaalsContact O-N 3.07Å; A242-K250 PolarHBondContact O-N 2.85Å |
| 243 | R | 78.6 | Confident | 75.7 | Confident | 175 Ų | 175 | 65.8 Ų | 65.8 | 66% | 0.66 | 34% | 0.344 | S | S | * | . | B | Isolated β-bridge | trans | -82.6 | 133.2 | 178.9 | -179.7 | 174.3 | 177.9 | 166.9 | 5.6 | 111 | ||
| 244 | L | 77.5 | Confident | 75.9 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 155 | 167.5 | -65.9 | 175.3 | 0 | 0 | 0 | 110.6 | I232 C246 G247 L248 K250 | I232-L244 HydrophobicContact CD1-CD1 4.34Å; L244-C246 VanDerWaalsContact CB-SG 3.58Å; L244-C246 PolarHBondContact O-N 3.36Å; L244-G247 PolarHBondContact O-N 2.78Å; L244-L248 WeakPolarHBondContact CB-O 3.26Å; L244-L248 HydrophobicContact CD1-CB 4.14Å; L244-L248 PolarHBondContact N-O 2.79Å; L244-K250 HydrophobicContact CD1-CG 4.46Å; L244-K250 HydrophobicContact CD2-CD 4.5Å; L244-K250 HydrophobicContact CD2-CG 4.38Å; L244-K250 HydrophobicContact CG-CG 4.29Å |
| 245 | D | 71.9 | Confident | 76.3 | Confident | 170 Ų | 170 | 59.1 Ų | 59.1 | 91% | 0.909 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -23.2 | 178.5 | -65 | -31.5 | 0 | 0 | 0 | 113.1 | G247 | D245-G247 VanDerWaalsContact C-N 3.35Š|
| 246 | C | 70 | Confident | 77 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.135 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 5 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 115 | L244 W291 S292 | L244-C246 VanDerWaalsContact CB-SG 3.58Å; L244-C246 PolarHBondContact O-N 3.36Å; C246-W291 HydrophobicContact CB-CE3 3.95Å; C246-W291 HydrophobicContact CB-CH2 3.97Å; C246-W291 HydrophobicContact CB-CZ3 3.38Å; C246-W291 VanDerWaalsContact SG-CZ3 3.57Å; C246-S292 PolarHBondContact O-N 3.16Å; C246-S292 VanDerWaalsContact O-N 3.1Å; C246-S292 PolarHBondContact O-OG 3.24Å |
| 247 | G | 73.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 92.6 | -16.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L244 D245 | L244-G247 PolarHBondContact O-N 2.78Å; D245-G247 VanDerWaalsContact C-N 3.35Å |
| 248 | L | 82.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -70.6 | 155.2 | 177.8 | -60.1 | 175.9 | 0 | 0 | 0 | 112.4 | I232 L244 W291 F323 Y333 F334 | I232-L248 HydrophobicContact CD1-CB 3.74Å; I232-L248 HydrophobicContact CD1-CD1 3.94Å; I232-L248 HydrophobicContact CD1-CG 4.37Å; L244-L248 WeakPolarHBondContact CB-O 3.26Å; L244-L248 HydrophobicContact CD1-CB 4.14Å; L244-L248 PolarHBondContact N-O 2.79Å; L248-W291 HydrophobicContact CD1-CE3 3.75Å; L248-W291 HydrophobicContact CD1-CZ3 3.61Å; L248-W291 HydrophobicContact CD2-CE3 4.08Å; L248-W291 HydrophobicContact CG-CE3 3.7Å; L248-W291 HydrophobicContact CG-CZ3 3.99Å; L248-F323 HydrophobicContact CD2-CE2 4.12Å; L248-F323 HydrophobicContact CD2-CZ 3.66Å; L248-Y333 HydrophobicContact CD1-CG 4.25Å; L248-F334 HydrophobicContact CD1-CE2 3.91Å; L248-F334 HydrophobicContact CD1-CZ 4.39Å; L248-F334 HydrophobicContact CD2-CE2 4.38Å; L248-F334 HydrophobicContact CD2-CZ 4.21Å | ||
| 249 | V | 80.7 | Confident | 79 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -117.1 | 126.8 | -175.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | E241 H252 Y254 W286 | E241-V249 HydrophobicContact CB-CG1 4.36Å; V249-H252 HydrophobicContact CB-CB 4.03Å; V249-H252 HydrophobicContact CG1-CB 3.84Å; V249-Y254 WeakPolarHBondContact CB-OH 3.44Å; V249-Y254 PolarHBondContact N-OH 3.24Å; V249-W286 HydrophobicContact CB-CZ3 4.44Å; V249-W286 HydrophobicContact CG1-CH2 3.85Å; V249-W286 HydrophobicContact CG1-CZ3 3.97Å; V249-W286 HydrophobicContact CG2-CE3 4.4Å; V249-W286 HydrophobicContact CG2-CZ3 3.79Å |
| 250 | K | 82.6 | Confident | 79.6 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 150.6 | 174.2 | -68.2 | -173.2 | -170.8 | 177.6 | 0 | 111.2 | I232 A234 D239 E241 A242 L244 H252 | I232-K250 HydrophobicContact CG2-CG 4.01Å; A234-K250 HydrophobicContact CB-CB 4.42Å; D239-K250 HydrophobicContact CB-CD 4.16Å; D239-K250 VanDerWaalsContact O-CB 3.26Å; D239-K250 WeakPolarHBondContact O-CB 3.24Å; D239-K250 IonicContact OD1-NZ 2.77Å; D239-K250 PolarHBondContact OD1-NZ 3.22Å; E241-K250 WeakPolarHBondContact CA-O 3.28Å; E241-K250 PolarHBondContact N-O 3.22Å; A242-K250 PolarHBondContact O-N 2.85Å; L244-K250 HydrophobicContact CD1-CG 4.46Å; L244-K250 HydrophobicContact CD2-CD 4.5Å; L244-K250 HydrophobicContact CD2-CG 4.38Å; L244-K250 HydrophobicContact CG-CG 4.29Å; K250-H252 PolarHBondContact O-N 3.35Å |
| 251 | G | 77.3 | Confident | 80.3 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 12.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I232 | I232-G251 WeakPolarHBondContact O-CA 3.21Å; I232-G251 PolarHBondContact O-N 3.01Å |
| 252 | H | 80.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -115 | 145.5 | -176.4 | -164.6 | 79.5 | 0 | 0 | 0 | 111.4 | C81 S231 V249 K250 Y254 N284 P285 W286 | C81-H252 WeakPolarHBondContact CB-CE1 3.15Å; C81-H252 WeakPolarHBondContact CB-ND1 3.25Å; S231-H252 WeakPolarHBondContact CA-O 3.26Å; S231-H252 WeakPolarHBondContact CB-O 3.11Å; V249-H252 HydrophobicContact CB-CB 4.03Å; V249-H252 HydrophobicContact CG1-CB 3.84Å; K250-H252 PolarHBondContact O-N 3.35Å; H252-Y254 HydrophobicContact CB-CE2 4.32Å; H252-N284 PolarHBondContact NE2-OD1 3.42Å; H252-N284 VanDerWaalsContact NE2-OD1 3.17Å; H252-P285 VanDerWaalsContact NE2-CD 3.34Å; H252-P285 WeakPolarHBondContact NE2-CD 3.43Å; H252-W286 AromaticContact CE1-CD1 3.69Å; H252-W286 AromaticContact CE1-CD2 3.99Å; H252-W286 AromaticContact CE1-CE2 3.53Å; H252-W286 AromaticContact CE1-NE1 3.32Å; H252-W286 PolarHBondContact CE1-NE1 2.93Å; H252-W286 VanDerWaalsContact CE1-NE1 3.32Å; H252-W286 AromaticContact ND1-CE2 3.81Å; H252-W286 AromaticContact ND1-CZ2 3.83Å; H252-W286 AromaticContact ND1-NE1 3.94Å | ||
| 253 | A | 83.3 | Confident | 80.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A85 T182 P285 | A85-A253 HydrophobicContact CB-CB 3.79Å; T182-A253 WeakPolarHBondContact OG1-CB 3.29Å; A253-P285 WeakPolarHBondContact O-CD 3.46Å; A253-P285 WeakPolarHBondContact O-CG 3.28Å |
| 254 | Y | 86.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.9 | 174.9 | -67.5 | -93.4 | 0 | 0 | 0 | 109.4 | S229 C230 V249 H252 N284 F323 F334 | S229-Y254 CarbonylContact C-O 3.52Å; S229-Y254 VanDerWaalsContact CA-O 3.26Å; S229-Y254 WeakPolarHBondContact CA-O 3.49Å; S229-Y254 WeakPolarHBondContact CB-O 3.33Å; S229-Y254 PolarHBondContact OG-O 3.42Å; C230-Y254 PolarHBondContact N-O 2.93Å; C230-Y254 PolarHBondContact O-N 3.33Å; V249-Y254 WeakPolarHBondContact CB-OH 3.44Å; V249-Y254 PolarHBondContact N-OH 3.24Å; H252-Y254 HydrophobicContact CB-CE2 4.32Å; Y254-N284 HydrophobicContact CD1-CB 4.15Å; Y254-N284 HydrophobicContact CE1-CB 3.85Å; Y254-F323 HydrophobicContact CD1-CE1 4.26Å; Y254-F323 HydrophobicContact CD1-CZ 4.36Å; Y254-F323 HydrophobicContact CE1-CE1 4.2Å; Y254-F323 HydrophobicContact CE1-CZ 4.35Å; Y254-F334 AromaticContact CD2-CE1 3.73Å; Y254-F334 HydrophobicContact CD2-CE1 3.73Å; Y254-F334 HydrophobicContact CD2-CZ 4.22Å; Y254-F334 HydrophobicContact CE2-CE1 4.31Å; Y254-F334 HydrophobicContact CG-CE1 4.15Å; Y254-F334 HydrophobicContact CG-CZ 4.42Å |
| 255 | A | 86.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A85 S89 M282 R283 | A85-A255 WeakPolarHBondContact O-CB 3.49Å; S89-A255 WeakPolarHBondContact OG-CB 3.36Å; A255-M282 CarbonylContact O-C 3.46Å; A255-M282 WeakPolarHBondContact O-CA 3.44Å; A255-R283 HydrophobicContact CB-CB 4.41Å; A255-R283 PolarHBondContact N-O 3.18Å; A255-R283 PolarHBondContact O-N 2.89Å |
| 256 | V | 87.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.8 | 171.8 | 173.6 | 0 | 0 | 0 | 0 | 108.2 | I228 V259 I280 R281 M282 | I228-V256 HydrophobicContact CB-CB 3.84Å; I228-V256 HydrophobicContact CB-CG1 4.29Å; I228-V256 HydrophobicContact CB-CG2 4.41Å; I228-V256 HydrophobicContact CG2-CB 3.67Å; I228-V256 HydrophobicContact CG2-CG1 4.14Å; I228-V256 HydrophobicContact CG2-CG2 3.7Å; I228-V256 PolarHBondContact O-N 2.99Å; V256-V259 HydrophobicContact CG1-CG2 3.66Å; V256-I280 HydrophobicContact CG1-CD1 3.87Å; V256-I280 HydrophobicContact CG1-CG1 3.79Å; V256-I280 HydrophobicContact CG2-CD1 3.89Å; V256-I280 HydrophobicContact CG2-CG1 4.36Å; V256-R281 WeakPolarHBondContact CA-O 3.43Å; V256-M282 HydrophobicContact CG2-CG 3.89Å |
| 257 | T | 82.8 | Confident | 76.6 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -25.5 | -172.5 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | H222 R281 R283 E322 | H222-T257 PolarHBondContact CE1-O 3.09Å; T257-R281 PolarHBondContact N-O 2.89Å; T257-R281 PolarHBondContact OG1-NE 3.01Å; T257-R283 HydrophobicContact CG2-CB 3.9Å; T257-E322 WeakPolarHBondContact CG2-OE1 3.42Å; T257-E322 PolarHBondContact OG1-OE1 2.74Å |
| 258 | D | 83.4 | Confident | 75.5 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.3 | 172.4 | -153.2 | -4.7 | 0 | 0 | 0 | 113 | H222 R260 R281 W324 | H222-D258 IonicContact CD2-OD1 3.94Å; H222-D258 IonicContact CE1-OD1 3.42Å; H222-D258 IonicContact NE2-OD1 2.75Å; H222-D258 PolarHBondContact NE2-OD1 2.79Å; D258-R260 IonicContact OD1-NE 3.57Å; D258-R260 IonicContact OD2-CZ 2.71Å; D258-R260 IonicContact OD2-NE 3.16Å; D258-R260 PolarHBondContact OD2-NE 2.93Å; D258-R260 IonicContact OD2-NH2 3.77Å; D258-R260 PolarHBondContact OD2-NH2 3.04Å; D258-R281 HydrophobicContact CB-CB 4.01Å; D258-R281 PolarHBondContact N-O 3.28Å; D258-R281 PolarHBondContact O-N 2.84Å; D258-W324 HydrophobicContact CB-CH2 3.84Å; D258-W324 HydrophobicContact CB-CZ2 4.29Å |
| 259 | V | 86.2 | Confident | 73.7 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 118.9 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | F215 V218 L219 H222 V256 I280 | F215-V259 HydrophobicContact CD2-CG1 4.39Å; F215-V259 HydrophobicContact CE2-CG1 3.62Å; F215-V259 HydrophobicContact CZ-CG1 3.84Å; V218-V259 HydrophobicContact CG1-CG1 4.3Å; V218-V259 HydrophobicContact CG1-CG2 3.9Å; L219-V259 HydrophobicContact CB-CG1 4.35Å; L219-V259 HydrophobicContact CD1-CB 4.49Å; L219-V259 HydrophobicContact CD1-CG1 4.34Å; L219-V259 VanDerWaalsContact CD1-O 3.28Å; L219-V259 WeakPolarHBondContact CD1-O 3.43Å; H222-V259 HydrophobicContact CB-CB 4.41Å; H222-V259 HydrophobicContact CB-CG2 4.37Å; V256-V259 HydrophobicContact CG1-CG2 3.66Å; V259-I280 HydrophobicContact CG2-CG1 4.27Å |
| 260 | R | 83.6 | Confident | 72.2 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.2 | -172.9 | -66.5 | -166 | -171.1 | 179.9 | 9.9 | 113.8 | D258 M279 K312 L313 W324 | D258-R260 IonicContact OD1-NE 3.57Å; D258-R260 IonicContact OD2-CZ 2.71Å; D258-R260 IonicContact OD2-NE 3.16Å; D258-R260 PolarHBondContact OD2-NE 2.93Å; D258-R260 IonicContact OD2-NH2 3.77Å; D258-R260 PolarHBondContact OD2-NH2 3.04Å; R260-M279 PolarHBondContact N-O 3.15Å; R260-M279 PolarHBondContact O-N 3.41Å; R260-K312 PolarHBondContact NH1-O 3.4Å; R260-L313 HydrophobicContact CB-CD2 4.39Å; R260-W324 HydrophobicContact CG-CH2 4.38Å |
| 261 | K | 84 | Confident | 70.6 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.9 | 167.9 | -61.8 | -174 | -175.7 | 163.1 | 0 | 108.8 | F215 E216 L219 L277 | F215-K261 HydrophobicContact CE1-CD 4.15Å; F215-K261 VanDerWaalsContact CE1-CE 3.47Å; F215-K261 HydrophobicContact CE1-CG 3.55Å; F215-K261 HydrophobicContact CZ-CG 4.05Å; E216-K261 WeakPolarHBondContact OE1-CE 3.41Å; E216-K261 IonicContact OE1-NZ 2.76Å; E216-K261 PolarHBondContact OE1-NZ 2.84Å; E216-K261 IonicContact OE2-NZ 2.73Å; E216-K261 PolarHBondContact OE2-NZ 3.43Å; L219-K261 HydrophobicContact CD2-CD 4.38Å; L219-K261 HydrophobicContact CD2-CG 4.38Å; K261-L277 CarbonylContact C-O 3.58Å; K261-L277 WeakPolarHBondContact CA-O 3.41Å |
| 262 | V | 76.9 | Confident | 69.1 | Low | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.2 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | K276 L277 M279 V305 L313 | V262-K276 CarbonylContact O-C 3.53Å; V262-L277 HydrophobicContact CB-CB 4.46Å; V262-L277 PolarHBondContact N-O 3.16Å; V262-L277 PolarHBondContact O-N 3.3Å; V262-M279 HydrophobicContact CB-CG 4.22Å; V262-M279 HydrophobicContact CG2-CB 4.15Å; V262-M279 HydrophobicContact CG2-CG 3.71Å; V262-V305 HydrophobicContact CG1-CG1 4.12Å; V262-V305 HydrophobicContact CG1-CG2 4.2Å; V262-L313 HydrophobicContact CG1-CD1 4.34Å; V262-L313 HydrophobicContact CG2-CD1 3.87Å; V262-L313 HydrophobicContact CG2-CD2 3.97Å |
| 263 | R | 70 | Confident | 67.4 | Low | 149 Ų | 149 | 67.5 Ų | 67.5 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.7 | 175 | -63.2 | -177.6 | -173.6 | -178.4 | 1.7 | 109.4 | ||
| 264 | L | 64.8 | Low | 66 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 131.4 | 177.7 | -69.4 | 166.5 | 0 | 0 | 0 | 110.7 | E275 L277 W295 V305 | L264-E275 PolarHBondContact N-O 2.81Å; L264-L277 HydrophobicContact CD1-CB 4.25Å; L264-L277 HydrophobicContact CD1-CD1 4.37Å; L264-L277 HydrophobicContact CD2-CD2 4.41Å; L264-L277 HydrophobicContact CG-CB 4.28Å; L264-W295 HydrophobicContact CD2-CH2 3.89Å; L264-W295 HydrophobicContact CD2-CZ2 4.2Å; L264-V305 HydrophobicContact CD2-CG2 4.29Å |
| 265 | G | 56.8 | Low | 64.6 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | trans | 129.8 | 160.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 266 | H | 49.6 | Very low | 63.7 | Low | 124 Ų | 124 | 85 Ų | 85 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -107.9 | 134.8 | 175.7 | -87.2 | -91.9 | 0 | 0 | 0 | 111.5 | ||
| 267 | G | 51.2 | Low | 63.3 | Low | 59 Ų | 59 | 85.9 Ų | 85.9 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 78.6 | -170.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115.8 | L269 A270 | G267-L269 PolarHBondContact O-N 3.26Å; G267-A270 WeakPolarHBondContact O-CB 3.43Å; G267-A270 PolarHBondContact O-N 2.9Å |
| 268 | L | 49.3 | Very low | 63.4 | Low | 144 Ų | 144 | 87 Ų | 87 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -60.1 | -15.1 | -176.4 | -71.5 | 164.5 | 0 | 0 | 0 | 114.1 | F271 | L268-F271 HydrophobicContact CD2-CD2 4.46Å; L268-F271 WeakPolarHBondContact O-CB 3.41Å; L268-F271 PolarHBondContact O-N 3.29Å |
| 269 | L | 43.4 | Very low | 63.4 | Low | 138 Ų | 138 | 86.4 Ų | 86.4 | 72% | 0.723 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -74.4 | -22.5 | 175 | -81.8 | 156.2 | 0 | 0 | 0 | 113.4 | G267 F271 F272 K273 | G267-L269 PolarHBondContact O-N 3.26Å; L269-F271 PolarHBondContact O-N 3.03Å; L269-F272 PolarHBondContact O-N 3.38Å; L269-F272 VanDerWaalsContact O-N 3.11Å; L269-K273 PolarHBondContact O-N 3.16Å |
| 270 | A | 49.5 | Very low | 63.4 | Low | 22 Ų | 22 | 86.3 Ų | 86.3 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -70.3 | -14.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G267 F272 | G267-A270 WeakPolarHBondContact O-CB 3.43Å; G267-A270 PolarHBondContact O-N 2.9Å; A270-F272 VanDerWaalsContact C-N 3.27Å |
| 271 | F | 48.7 | Very low | 63.6 | Low | 155 Ų | 155 | 84.1 Ų | 84.1 | 68% | 0.68 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -72.9 | -21 | 169.3 | -83.3 | -93.1 | 0 | 0 | 0 | 112.7 | L268 L269 | L268-F271 HydrophobicContact CD2-CD2 4.46Å; L268-F271 WeakPolarHBondContact O-CB 3.41Å; L268-F271 PolarHBondContact O-N 3.29Å; L269-F271 PolarHBondContact O-N 3.03Å |
| 272 | F | 46.4 | Very low | 63.7 | Low | 177 Ų | 177 | 80.7 Ų | 80.7 | 78% | 0.776 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -19 | -175.1 | -67.5 | -80.2 | 0 | 0 | 0 | 114.1 | L269 A270 | L269-F272 PolarHBondContact O-N 3.38Å; L269-F272 VanDerWaalsContact O-N 3.11Å; A270-F272 VanDerWaalsContact C-N 3.27Å |
| 273 | K | 46.3 | Very low | 64 | Low | 165 Ų | 165 | 80.6 Ų | 80.6 | 72% | 0.717 | 41% | 0.409 | S | S | * | . | trans | -97.4 | 116 | 169 | -79.6 | -170.3 | 174.7 | -171.3 | 0 | 110.2 | L269 E275 | L269-K273 PolarHBondContact O-N 3.16Å; K273-E275 PolarHBondContact O-N 2.73Å | ||
| 274 | S | 52.7 | Low | 64.5 | Low | 112 Ų | 112 | 73.5 Ų | 73.5 | 78% | 0.783 | 38% | 0.383 | S | S | * | . | trans | -91.1 | 22.6 | -170.9 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | K276 | S274-K276 PolarHBondContact O-N 2.79Š| ||
| 275 | E | 56.5 | Low | 64.7 | Low | 142 Ų | 142 | 71.3 Ų | 71.3 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | trans | -76.8 | 107.1 | 176.7 | -76.7 | 180 | -179 | 0 | 0 | 109.5 | L264 K273 | L264-E275 PolarHBondContact N-O 2.81Å; K273-E275 PolarHBondContact O-N 2.73Å | ||
| 276 | K | 69 | Low | 65.3 | Low | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122 | 173.8 | -63.9 | 176.2 | -173.7 | 170.4 | 0 | 107.4 | V262 S274 | V262-K276 CarbonylContact O-C 3.53Å; S274-K276 PolarHBondContact O-N 2.79Å |
| 277 | L | 77.4 | Confident | 65.9 | Low | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.7 | 172.3 | -165.8 | 73.7 | 0 | 0 | 0 | 109.2 | K261 V262 L264 M279 W295 | K261-L277 CarbonylContact C-O 3.58Å; K261-L277 WeakPolarHBondContact CA-O 3.41Å; V262-L277 HydrophobicContact CB-CB 4.46Å; V262-L277 PolarHBondContact N-O 3.16Å; V262-L277 PolarHBondContact O-N 3.3Å; L264-L277 HydrophobicContact CD1-CB 4.25Å; L264-L277 HydrophobicContact CD1-CD1 4.37Å; L264-L277 HydrophobicContact CD2-CD2 4.41Å; L264-L277 HydrophobicContact CG-CB 4.28Å; L277-M279 HydrophobicContact CD2-CG 3.86Å; L277-M279 HydrophobicContact CD2-SD 3.34Å; L277-M279 WeakPolarHBondContact CD2-SD 3.4Å; L277-M279 HydrophobicContact CG-CG 4.1Å; L277-M279 HydrophobicContact CG-SD 3.8Å; L277-W295 HydrophobicContact CD2-CD2 4.23Å; L277-W295 HydrophobicContact CD2-CH2 3.7Å; L277-W295 HydrophobicContact CD2-CZ2 3.27Å; L277-W295 HydrophobicContact CD2-CZ3 4.33Å |
| 278 | H | 85.5 | Confident | 66.4 | Low | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.148 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.1 | 177.8 | -66.1 | 149.9 | 0 | 0 | 0 | 109 | N212 F215 N326 F327 | N212-H278 PolarHBondContact OD1-CE1 2.83Å; N212-H278 VanDerWaalsContact OD1-CE1 3.24Å; N212-H278 PolarHBondContact OD1-ND1 3.3Å; F215-H278 HydrophobicContact CD1-CB 4.25Å; F215-H278 AromaticContact CD1-CD2 3.67Å; F215-H278 AromaticContact CD1-CG 3.81Å; F215-H278 HydrophobicContact CD2-CB 3.75Å; F215-H278 HydrophobicContact CE1-CB 4.18Å; F215-H278 AromaticContact CE1-CD2 3.52Å; F215-H278 AromaticContact CE1-CG 3.92Å; F215-H278 HydrophobicContact CE2-CB 3.63Å; F215-H278 HydrophobicContact CG-CB 4.05Å; F215-H278 AromaticContact CG-CG 3.94Å; F215-H278 HydrophobicContact CZ-CB 3.85Å; F215-H278 AromaticContact CZ-CD2 3.98Å; H278-N326 PolarHBondContact O-OD1 2.9Å; H278-F327 HydrophobicContact CB-CB 3.75Å; H278-F327 WeakPolarHBondContact O-CB 3.45Å; H278-F327 PolarHBondContact O-N 2.85Å |
| 279 | M | 83.6 | Confident | 67.1 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.6 | -173.3 | -65.8 | -62.8 | -73.9 | 0 | 0 | 111.1 | R260 V262 L277 W295 W302 W324 | R260-M279 PolarHBondContact N-O 3.15Å; R260-M279 PolarHBondContact O-N 3.41Å; V262-M279 HydrophobicContact CB-CG 4.22Å; V262-M279 HydrophobicContact CG2-CB 4.15Å; V262-M279 HydrophobicContact CG2-CG 3.71Å; L277-M279 HydrophobicContact CD2-CG 3.86Å; L277-M279 HydrophobicContact CD2-SD 3.34Å; L277-M279 WeakPolarHBondContact CD2-SD 3.4Å; L277-M279 HydrophobicContact CG-CG 4.1Å; L277-M279 HydrophobicContact CG-SD 3.8Å; M279-W295 HydrophobicContact CE-CB 3.83Å; M279-W295 HydrophobicContact CE-CD2 3.89Å; M279-W295 HydrophobicContact CE-CE3 3.97Å; M279-W295 HydrophobicContact CE-CG 3.83Å; M279-W295 HydrophobicContact SD-CD2 4.35Å; M279-W295 HydrophobicContact SD-CG 4.4Å; M279-W302 HydrophobicContact CE-CH2 4.05Å; M279-W324 HydrophobicContact CB-CE3 3.79Å; M279-W324 HydrophobicContact CB-CZ3 3.85Å; M279-W324 HydrophobicContact CE-CB 3.91Å; M279-W324 HydrophobicContact CE-CE3 4.36Å |
| 280 | I | 86.6 | Confident | 68.6 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.3 | 174.7 | -174.3 | 163.1 | 0 | 0 | 0 | 109.2 | V256 V259 M282 W324 M325 F327 F330 | V256-I280 HydrophobicContact CG1-CD1 3.87Å; V256-I280 HydrophobicContact CG1-CG1 3.79Å; V256-I280 HydrophobicContact CG2-CD1 3.89Å; V256-I280 HydrophobicContact CG2-CG1 4.36Å; V259-I280 HydrophobicContact CG2-CG1 4.27Å; I280-M282 HydrophobicContact CG1-CG 4.36Å; I280-M282 HydrophobicContact CG2-CE 3.94Å; I280-W324 WeakPolarHBondContact O-CA 3.44Å; I280-M325 HydrophobicContact CG2-CB 4.48Å; I280-M325 WeakPolarHBondContact CG2-O 3.45Å; I280-M325 PolarHBondContact N-O 2.99Å; I280-M325 PolarHBondContact O-N 2.99Å; I280-F327 HydrophobicContact CG2-CD2 4.46Å; I280-F330 HydrophobicContact CD1-CD2 4.39Å; I280-F330 HydrophobicContact CD1-CE2 4.37Å; I280-F330 HydrophobicContact CG2-CB 4.1Å; I280-F330 HydrophobicContact CG2-CD2 4.37Å; I280-F330 HydrophobicContact CG2-CG 4.28Å |
| 281 | R | 86.5 | Confident | 69.8 | Low | 48 Ų | 48 | 60.7 Ų | 60.7 | 18% | 0.181 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.3 | 173.4 | -168.4 | 175.1 | 60.3 | 167.8 | 1.1 | 109.3 | V256 T257 D258 E322 F323 W324 | V256-R281 WeakPolarHBondContact CA-O 3.43Å; T257-R281 PolarHBondContact N-O 2.89Å; T257-R281 PolarHBondContact OG1-NE 3.01Å; D258-R281 HydrophobicContact CB-CB 4.01Å; D258-R281 PolarHBondContact N-O 3.28Å; D258-R281 PolarHBondContact O-N 2.84Å; R281-E322 IonicContact CZ-OE2 2.98Å; R281-E322 IonicContact NE-OE2 2.57Å; R281-E322 IonicContact NH1-OE2 2.84Å; R281-E322 PolarHBondContact NH1-OE2 2.94Å; R281-F323 WeakPolarHBondContact CA-O 3.26Å; R281-W324 HydrophobicContact CB-CD2 3.68Å; R281-W324 HydrophobicContact CB-CE3 3.71Å; R281-W324 HydrophobicContact CB-CG 4.34Å; R281-W324 HydrophobicContact CB-CH2 3.84Å; R281-W324 HydrophobicContact CB-CZ2 3.79Å; R281-W324 HydrophobicContact CB-CZ3 3.8Å; R281-W324 HydrophobicContact CG-CD2 4.04Å; R281-W324 HydrophobicContact CG-CG 4.29Å; R281-W324 HydrophobicContact CG-CZ2 4.21Å |
| 282 | M | 86.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 157.5 | 178.6 | -72.2 | 156.9 | -64.4 | 0 | 0 | 110.2 | A255 V256 I280 E322 F323 M325 F330 F334 | A255-M282 CarbonylContact O-C 3.46Å; A255-M282 WeakPolarHBondContact O-CA 3.44Å; V256-M282 HydrophobicContact CG2-CG 3.89Å; I280-M282 HydrophobicContact CG1-CG 4.36Å; I280-M282 HydrophobicContact CG2-CE 3.94Å; M282-E322 CarbonylContact O-C 3.56Å; M282-E322 VanDerWaalsContact O-CA 3.25Å; M282-E322 WeakPolarHBondContact O-CA 3.43Å; M282-F323 HydrophobicContact CB-CE1 4.35Å; M282-F323 HydrophobicContact CB-CE2 4.33Å; M282-F323 HydrophobicContact CB-CZ 4.07Å; M282-F323 HydrophobicContact CE-CD2 4.2Å; M282-F323 HydrophobicContact CE-CE2 3.59Å; M282-F323 HydrophobicContact CE-CZ 4.2Å; M282-F323 PolarHBondContact N-O 2.83Å; M282-F323 PolarHBondContact O-N 2.88Å; M282-M325 HydrophobicContact CE-CB 3.85Å; M282-M325 HydrophobicContact CE-CE 3.26Å; M282-M325 HydrophobicContact SD-CE 4.12Å; M282-F330 HydrophobicContact CE-CD2 4.32Å; M282-F330 HydrophobicContact SD-CD2 3.72Å; M282-F330 HydrophobicContact SD-CE2 3.81Å; M282-F334 HydrophobicContact SD-CE1 4.27Å; M282-F334 HydrophobicContact SD-CE2 3.99Å; M282-F334 HydrophobicContact SD-CZ 3.72Å |
| 283 | R | 83 | Confident | 71.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.2 | 174.5 | -177.4 | 175.1 | 178.4 | 70.8 | 19.6 | 110.1 | A70 H71 A255 T257 P285 D320 G321 E322 | A70-R283 VanDerWaalsContact C-NE 3.34Å; A70-R283 VanDerWaalsContact O-CZ 3.31Å; A70-R283 PolarHBondContact O-NE 2.77Å; A70-R283 PolarHBondContact O-NH2 2.92Å; H71-R283 PolarHBondContact CD2-NH1 2.93Å; H71-R283 PolarHBondContact NE2-NH1 2.78Å; H71-R283 VanDerWaalsContact NE2-NH1 3.18Å; A255-R283 HydrophobicContact CB-CB 4.41Å; A255-R283 PolarHBondContact N-O 3.18Å; A255-R283 PolarHBondContact O-N 2.89Å; T257-R283 HydrophobicContact CG2-CB 3.9Å; R283-P285 WeakPolarHBondContact O-CD 3.46Å; R283-D320 VanDerWaalsContact CZ-O 3.23Å; R283-D320 PolarHBondContact NH1-O 2.86Å; R283-D320 PolarHBondContact NH2-O 2.95Å; R283-G321 CarbonylContact C-O 3.23Å; R283-G321 VanDerWaalsContact CA-O 3.32Å; R283-G321 WeakPolarHBondContact CA-O 3.5Å; R283-E322 HydrophobicContact CB-CG 3.99Å; R283-E322 HydrophobicContact CG-CG 3.9Å |
| 284 | N | 80.8 | Confident | 72.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -84 | 118.3 | 169.1 | -171 | -10.7 | 0 | 0 | 0 | 109.8 | H252 Y254 W286 G287 E288 K289 G321 | H252-N284 PolarHBondContact NE2-OD1 3.42Å; H252-N284 VanDerWaalsContact NE2-OD1 3.17Å; Y254-N284 HydrophobicContact CD1-CB 4.15Å; Y254-N284 HydrophobicContact CE1-CB 3.85Å; N284-W286 PolarHBondContact O-N 3.26Å; N284-W286 VanDerWaalsContact O-N 3.08Å; N284-W286 PolarHBondContact OD1-N 2.81Å; N284-G287 PolarHBondContact O-N 2.83Å; N284-E288 PolarHBondContact ND2-O 2.95Å; N284-K289 PolarHBondContact ND2-O 2.76Å; N284-K289 VanDerWaalsContact ND2-O 3.15Å; N284-G321 PolarHBondContact N-O 2.88Å | ||
| 285 | P | 70 | Confident | 73.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17 | 175.4 | -27.1 | 32.4 | 0 | 0 | 0 | 116.5 | V84 A85 H252 A253 R283 G287 | V84-P285 HydrophobicContact CB-CB 4.01Å; V84-P285 HydrophobicContact CG1-CB 3.77Å; A85-P285 HydrophobicContact CB-CG 3.61Å; H252-P285 VanDerWaalsContact NE2-CD 3.34Å; H252-P285 WeakPolarHBondContact NE2-CD 3.43Å; A253-P285 WeakPolarHBondContact O-CD 3.46Å; A253-P285 WeakPolarHBondContact O-CG 3.28Å; R283-P285 WeakPolarHBondContact O-CD 3.46Å; P285-G287 PolarHBondContact O-N 2.78Å |
| 286 | W | 68.6 | Low | 74.1 | Confident | 48 Ų | 48 | 33.3 Ų | 33.3 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.2 | 173.6 | -70 | -13.9 | 0 | 0 | 0 | 113.6 | E241 V249 H252 N284 E288 K289 | E241-W286 HydrophobicContact CB-CH2 4.13Å; E241-W286 HydrophobicContact CG-CH2 4.31Å; E241-W286 HydrophobicContact CG-CZ2 4.24Å; V249-W286 HydrophobicContact CB-CZ3 4.44Å; V249-W286 HydrophobicContact CG1-CH2 3.85Å; V249-W286 HydrophobicContact CG1-CZ3 3.97Å; V249-W286 HydrophobicContact CG2-CE3 4.4Å; V249-W286 HydrophobicContact CG2-CZ3 3.79Å; H252-W286 AromaticContact CE1-CD1 3.69Å; H252-W286 AromaticContact CE1-CD2 3.99Å; H252-W286 AromaticContact CE1-CE2 3.53Å; H252-W286 AromaticContact CE1-NE1 3.32Å; H252-W286 PolarHBondContact CE1-NE1 2.93Å; H252-W286 VanDerWaalsContact CE1-NE1 3.32Å; H252-W286 AromaticContact ND1-CE2 3.81Å; H252-W286 AromaticContact ND1-CZ2 3.83Å; H252-W286 AromaticContact ND1-NE1 3.94Å; N284-W286 PolarHBondContact O-N 3.26Å; N284-W286 VanDerWaalsContact O-N 3.08Å; N284-W286 PolarHBondContact OD1-N 2.81Å; W286-E288 PolarHBondContact O-N 3.08Å; W286-E288 VanDerWaalsContact O-N 3.12Å; W286-K289 HydrophobicContact CE3-CD 4.02Å; W286-K289 HydrophobicContact CZ3-CD 4.24Å |
| 287 | G | 61.9 | Low | 73.7 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 66.9 | 6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N284 P285 D320 | N284-G287 PolarHBondContact O-N 2.83Å; P285-G287 PolarHBondContact O-N 2.78Å; G287-D320 CarbonylContact O-C 3.1Å |
| 288 | E | 61.8 | Low | 72.9 | Confident | 115 Ų | 115 | 32.5 Ų | 32.5 | 54% | 0.537 | 18% | 0.178 | S | C | . | . | trans | -143.3 | 159.8 | 179.6 | -60.7 | -177.7 | 167.6 | 0 | 0 | 108.8 | N284 W286 | N284-E288 PolarHBondContact ND2-O 2.95Å; W286-E288 PolarHBondContact O-N 3.08Å; W286-E288 VanDerWaalsContact O-N 3.12Å | ||
| 289 | K | 64.1 | Low | 72 | Confident | 85 Ų | 85 | 32 Ų | 32 | 37% | 0.37 | 18% | 0.178 | S | C | . | . | trans | 75.4 | 95.7 | 172.1 | -49.1 | 166.1 | -167.3 | 160.3 | 0 | 112.9 | N284 W286 D319 | N284-K289 PolarHBondContact ND2-O 2.76Å; N284-K289 VanDerWaalsContact ND2-O 3.15Å; W286-K289 HydrophobicContact CE3-CD 4.02Å; W286-K289 HydrophobicContact CZ3-CD 4.24Å; K289-D319 PolarHBondContact N-OD1 2.99Å | ||
| 290 | E | 74.1 | Confident | 71.1 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | trans | -105.9 | 166.8 | -175.1 | -69.2 | 165.6 | -176.8 | 0 | 0 | 113.6 | S292 Q318 D319 D320 G321 F323 | E290-S292 PolarHBondContact O-N 2.77Å; E290-Q318 VanDerWaalsContact OE1-O 3.13Å; E290-D319 VanDerWaalsContact OE1-CA 3.25Å; E290-D319 WeakPolarHBondContact OE1-CA 3.21Å; E290-D320 PolarHBondContact OE1-N 3.18Å; E290-G321 PolarHBondContact OE1-N 2.82Å; E290-F323 HydrophobicContact CB-CB 4.5Å; E290-F323 HydrophobicContact CB-CD1 4.46Å; E290-F323 HydrophobicContact CG-CD1 4.47Å | ||
| 291 | W | 75.6 | Confident | 70.2 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | trans | -61.9 | 124.3 | 171.3 | 172.5 | -111.8 | 0 | 0 | 0 | 111 | C246 L248 G293 P294 S296 F323 M325 Y333 | C246-W291 HydrophobicContact CB-CE3 3.95Å; C246-W291 HydrophobicContact CB-CH2 3.97Å; C246-W291 HydrophobicContact CB-CZ3 3.38Å; C246-W291 VanDerWaalsContact SG-CZ3 3.57Å; L248-W291 HydrophobicContact CD1-CE3 3.75Å; L248-W291 HydrophobicContact CD1-CZ3 3.61Å; L248-W291 HydrophobicContact CD2-CE3 4.08Å; L248-W291 HydrophobicContact CG-CE3 3.7Å; L248-W291 HydrophobicContact CG-CZ3 3.99Å; W291-G293 VanDerWaalsContact CE2-CA 3.44Å; W291-G293 VanDerWaalsContact NE1-C 3.27Å; W291-G293 VanDerWaalsContact NE1-CA 3.33Å; W291-P294 PolarHBondContact NE1-O 3.15Å; W291-S296 WeakPolarHBondContact O-CB 3.5Å; W291-F323 HydrophobicContact CB-CB 4.27Å; W291-F323 HydrophobicContact CB-CD1 4.39Å; W291-F323 HydrophobicContact CB-CD2 3.25Å; W291-F323 HydrophobicContact CB-CE2 3.49Å; W291-F323 VanDerWaalsContact CB-CE2 3.49Å; W291-F323 HydrophobicContact CB-CG 3.74Å; W291-F323 HydrophobicContact CB-CZ 4.2Å; W291-F323 HydrophobicContact CG-CD2 4.05Å; W291-F323 HydrophobicContact CG-CE2 4.24Å; W291-M325 HydrophobicContact CD2-SD 4.24Å; W291-M325 HydrophobicContact CE3-SD 4.45Å; W291-M325 HydrophobicContact CH2-SD 4.34Å; W291-M325 HydrophobicContact CZ2-SD 4.1Å; W291-M325 HydrophobicContact CZ3-SD 4.47Å; W291-Y333 AromaticContact CH2-CD2 3.7Å; W291-Y333 HydrophobicContact CH2-CD2 3.7Å; W291-Y333 HydrophobicContact CH2-CE1 4.37Å; W291-Y333 AromaticContact CH2-CE2 3.41Å; W291-Y333 HydrophobicContact CH2-CE2 3.41Å; W291-Y333 VanDerWaalsContact CH2-CE2 3.41Å; W291-Y333 HydrophobicContact CH2-CG 4.35Å; W291-Y333 AromaticContact CH2-CZ 3.76Å; W291-Y333 HydrophobicContact CZ2-CE2 4.28Å; W291-Y333 HydrophobicContact CZ3-CD2 4.11Å; W291-Y333 HydrophobicContact CZ3-CE2 4.17Å; W291-Y333 HydrophobicContact CZ3-CG 4.35Å | ||
| 292 | S | 71.1 | Confident | 69.3 | Low | 79 Ų | 79 | 40.1 Ų | 40.1 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | trans | -98.2 | 9.2 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | C246 E290 | C246-S292 PolarHBondContact O-N 3.16Å; C246-S292 VanDerWaalsContact O-N 3.1Å; C246-S292 PolarHBondContact O-OG 3.24Å; E290-S292 PolarHBondContact O-N 2.77Å | ||
| 293 | G | 69 | Low | 68.2 | Low | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -93.9 | -158.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | W291 S296 | W291-G293 VanDerWaalsContact CE2-CA 3.44Å; W291-G293 VanDerWaalsContact NE1-C 3.27Å; W291-G293 VanDerWaalsContact NE1-CA 3.33Å; G293-S296 WeakPolarHBondContact O-CB 3.45Å; G293-S296 PolarHBondContact O-N 3.47Å; G293-S296 PolarHBondContact O-OG 3.46Å |
| 294 | P | 66 | Low | 67.3 | Low | 51 Ų | 51 | 51 Ų | 51 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 141.4 | 177.3 | -26.7 | 36.1 | 0 | 0 | 0 | 112.6 | W291 S296 E301 | W291-P294 PolarHBondContact NE1-O 3.15Å; P294-S296 PolarHBondContact O-N 3.12Å; P294-E301 VanDerWaalsContact C-OE2 3.31Å; P294-E301 WeakPolarHBondContact CA-OE2 3.35Å; P294-E301 WeakPolarHBondContact CB-OE1 3.38Å; P294-E301 WeakPolarHBondContact CB-OE2 3.33Å |
| 295 | W | 68.4 | Low | 66.5 | Low | 20 Ų | 20 | 51 Ų | 51 | 8% | 0.076 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 11.8 | -175 | -56.1 | 91.2 | 0 | 0 | 0 | 116.3 | L264 L277 M279 E301 W302 V305 | L264-W295 HydrophobicContact CD2-CH2 3.89Å; L264-W295 HydrophobicContact CD2-CZ2 4.2Å; L277-W295 HydrophobicContact CD2-CD2 4.23Å; L277-W295 HydrophobicContact CD2-CH2 3.7Å; L277-W295 HydrophobicContact CD2-CZ2 3.27Å; L277-W295 HydrophobicContact CD2-CZ3 4.33Å; M279-W295 HydrophobicContact CE-CB 3.83Å; M279-W295 HydrophobicContact CE-CD2 3.89Å; M279-W295 HydrophobicContact CE-CE3 3.97Å; M279-W295 HydrophobicContact CE-CG 3.83Å; M279-W295 HydrophobicContact SD-CD2 4.35Å; M279-W295 HydrophobicContact SD-CG 4.4Å; W295-E301 HydrophobicContact CD2-CB 4.22Å; W295-E301 HydrophobicContact CE3-CB 4.46Å; W295-E301 HydrophobicContact CZ2-CB 4.28Å; W295-E301 PolarHBondContact N-OE2 2.8Å; W295-W302 HydrophobicContact CB-CZ2 4.4Å; W295-W302 AromaticContact CE3-CD2 3.8Å; W295-W302 HydrophobicContact CE3-CD2 3.8Å; W295-W302 AromaticContact CE3-CE2 3.97Å; W295-W302 AromaticContact CE3-CE3 3.73Å; W295-W302 HydrophobicContact CE3-CE3 3.73Å; W295-W302 HydrophobicContact CE3-CG 4.46Å; W295-W302 HydrophobicContact CE3-CH2 4.07Å; W295-W302 HydrophobicContact CE3-CZ2 4.13Å; W295-W302 AromaticContact CE3-CZ3 3.86Å; W295-W302 HydrophobicContact CE3-CZ3 3.86Å; W295-W302 HydrophobicContact CZ3-CD2 4.12Å; W295-W302 AromaticContact CZ3-CE3 3.72Å; W295-W302 HydrophobicContact CZ3-CE3 3.72Å; W295-W302 AromaticContact CZ3-CZ3 4Å; W295-W302 HydrophobicContact CZ3-CZ3 4Å; W295-W302 WeakPolarHBondContact O-CZ2 3.33Å; W295-W302 PolarHBondContact O-NE1 2.97Å; W295-W302 VanDerWaalsContact O-NE1 3.13Å; W295-V305 HydrophobicContact CH2-CG2 3.62Å; W295-V305 HydrophobicContact CZ3-CG2 3.52Å |
| 296 | S | 65.5 | Low | 66.3 | Low | 8 Ų | 8 | 52.5 Ų | 52.5 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | trans | -55.7 | 161 | 164 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | W291 G293 P294 S298 S299 W302 | W291-S296 WeakPolarHBondContact O-CB 3.5Å; G293-S296 WeakPolarHBondContact O-CB 3.45Å; G293-S296 PolarHBondContact O-N 3.47Å; G293-S296 PolarHBondContact O-OG 3.46Å; P294-S296 PolarHBondContact O-N 3.12Å; S296-S298 PolarHBondContact O-N 3.2Å; S296-S298 VanDerWaalsContact O-N 3.11Å; S296-S299 VanDerWaalsContact O-CB 3.28Å; S296-S299 WeakPolarHBondContact O-CB 3.39Å; S296-S299 PolarHBondContact O-N 3.36Å; S296-W302 VanDerWaalsContact O-CD1 3.29Å; S296-W302 PolarHBondContact O-NE1 2.85Å | ||
| 297 | D | 61.9 | Low | 66.2 | Low | 18 Ų | 18 | 57.4 Ų | 57.4 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.4 | -172.8 | -70.4 | 3 | 0 | 0 | 0 | 113.2 | ||
| 298 | S | 60.6 | Low | 66.3 | Low | 107 Ų | 107 | 60.2 Ų | 60.2 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.4 | 174 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | S296 | S296-S298 PolarHBondContact O-N 3.2Å; S296-S298 VanDerWaalsContact O-N 3.11Å |
| 299 | S | 66.8 | Low | 66.5 | Low | 22 Ų | 22 | 57.6 Ų | 57.6 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | trans | -70.9 | 136.1 | -172.5 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | S296 E301 W302 | S296-S299 VanDerWaalsContact O-CB 3.28Å; S296-S299 WeakPolarHBondContact O-CB 3.39Å; S296-S299 PolarHBondContact O-N 3.36Å; S299-E301 PolarHBondContact O-N 2.89Å; S299-E301 VanDerWaalsContact O-N 3.15Å; S299-E301 VanDerWaalsContact OG-CD 3.31Å; S299-E301 PolarHBondContact OG-N 2.88Å; S299-E301 VanDerWaalsContact OG-N 3.16Å; S299-E301 PolarHBondContact OG-OE2 3.29Å; S299-W302 VanDerWaalsContact O-CD1 3.3Å; S299-W302 PolarHBondContact O-N 2.1Å | ||
| 300 | E | 65.1 | Low | 66.6 | Low | 160 Ų | 160 | 56.7 Ų | 56.7 | 75% | 0.748 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -63.6 | -16.3 | 172.8 | -63.7 | -171 | 171.1 | 0 | 0 | 113.2 | W302 N303 | E300-W302 PolarHBondContact O-N 3.48Å; E300-N303 WeakPolarHBondContact O-CB 3.39Å; E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 PolarHBondContact O-ND2 2.8Å |
| 301 | E | 67.3 | Low | 66.2 | Low | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65.9 | -25.7 | -179.4 | -68.8 | 146.1 | 154 | 0 | 0 | 112.6 | P294 W295 S299 N303 K304 | P294-E301 VanDerWaalsContact C-OE2 3.31Å; P294-E301 WeakPolarHBondContact CA-OE2 3.35Å; P294-E301 WeakPolarHBondContact CB-OE1 3.38Å; P294-E301 WeakPolarHBondContact CB-OE2 3.33Å; W295-E301 HydrophobicContact CD2-CB 4.22Å; W295-E301 HydrophobicContact CE3-CB 4.46Å; W295-E301 HydrophobicContact CZ2-CB 4.28Å; W295-E301 PolarHBondContact N-OE2 2.8Å; S299-E301 PolarHBondContact O-N 2.89Å; S299-E301 VanDerWaalsContact O-N 3.15Å; S299-E301 VanDerWaalsContact OG-CD 3.31Å; S299-E301 PolarHBondContact OG-N 2.88Å; S299-E301 VanDerWaalsContact OG-N 3.16Å; S299-E301 PolarHBondContact OG-OE2 3.29Å; E301-N303 PolarHBondContact O-N 2.93Å; E301-N303 VanDerWaalsContact O-N 3.13Å; E301-K304 WeakPolarHBondContact O-CB 3.4Å; E301-K304 PolarHBondContact O-N 3.39Å |
| 302 | W | 66.8 | Low | 65.6 | Low | 9 Ų | 9 | 66.3 Ų | 66.3 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -54.6 | -31.5 | 169.4 | -71.6 | 113.8 | 0 | 0 | 0 | 111.4 | M279 W295 S296 S299 E300 K304 V305 R310 L313 V315 W324 | M279-W302 HydrophobicContact CE-CH2 4.05Å; W295-W302 HydrophobicContact CB-CZ2 4.4Å; W295-W302 AromaticContact CE3-CD2 3.8Å; W295-W302 HydrophobicContact CE3-CD2 3.8Å; W295-W302 AromaticContact CE3-CE2 3.97Å; W295-W302 AromaticContact CE3-CE3 3.73Å; W295-W302 HydrophobicContact CE3-CE3 3.73Å; W295-W302 HydrophobicContact CE3-CG 4.46Å; W295-W302 HydrophobicContact CE3-CH2 4.07Å; W295-W302 HydrophobicContact CE3-CZ2 4.13Å; W295-W302 AromaticContact CE3-CZ3 3.86Å; W295-W302 HydrophobicContact CE3-CZ3 3.86Å; W295-W302 HydrophobicContact CZ3-CD2 4.12Å; W295-W302 AromaticContact CZ3-CE3 3.72Å; W295-W302 HydrophobicContact CZ3-CE3 3.72Å; W295-W302 AromaticContact CZ3-CZ3 4Å; W295-W302 HydrophobicContact CZ3-CZ3 4Å; W295-W302 WeakPolarHBondContact O-CZ2 3.33Å; W295-W302 PolarHBondContact O-NE1 2.97Å; W295-W302 VanDerWaalsContact O-NE1 3.13Å; S296-W302 VanDerWaalsContact O-CD1 3.29Å; S296-W302 PolarHBondContact O-NE1 2.85Å; S299-W302 VanDerWaalsContact O-CD1 3.3Å; S299-W302 PolarHBondContact O-N 2.1Å; E300-W302 PolarHBondContact O-N 3.48Å; W302-K304 PolarHBondContact O-N 2.91Å; W302-V305 PolarHBondContact O-N 3.08Å; W302-R310 HydrophobicContact CE3-CG 4.33Å; W302-R310 PolarHBondContact O-NE 2.83Å; W302-R310 PolarHBondContact O-NH2 3.4Å; W302-L313 HydrophobicContact CZ3-CD1 3.93Å; W302-V315 HydrophobicContact CE3-CG2 4.29Å; W302-V315 HydrophobicContact CH2-CG2 3.64Å; W302-V315 HydrophobicContact CZ2-CG1 4.36Å; W302-V315 HydrophobicContact CZ2-CG2 3.92Å; W302-V315 HydrophobicContact CZ3-CG2 3.84Å; W302-W324 HydrophobicContact CH2-CB 3.93Å; W302-W324 HydrophobicContact CH2-CD2 4.44Å; W302-W324 AromaticContact CH2-CG 3.86Å; W302-W324 HydrophobicContact CH2-CG 3.86Å; W302-W324 HydrophobicContact CZ2-CB 3.7Å; W302-W324 AromaticContact CZ2-CG 3.97Å; W302-W324 HydrophobicContact CZ2-CG 3.97Å |
| 303 | N | 63.9 | Low | 65.1 | Low | 103 Ų | 103 | 62.8 Ų | 62.8 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -54.3 | -21.3 | 176.4 | -65.2 | -35.3 | 0 | 0 | 0 | 114.4 | E300 E301 R310 | E300-N303 WeakPolarHBondContact O-CB 3.39Å; E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 PolarHBondContact O-ND2 2.8Å; E301-N303 PolarHBondContact O-N 2.93Å; E301-N303 VanDerWaalsContact O-N 3.13Å; N303-R310 PolarHBondContact OD1-NH1 2.81Å |
| 304 | K | 64.7 | Low | 64.6 | Low | 127 Ų | 127 | 63.5 Ų | 63.5 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -81.9 | -13.9 | 177.5 | -58.8 | 171.4 | -176.2 | 166.7 | 0 | 113.7 | E301 W302 | E301-K304 WeakPolarHBondContact O-CB 3.4Å; E301-K304 PolarHBondContact O-N 3.39Å; W302-K304 PolarHBondContact O-N 2.91Å |
| 305 | V | 64.3 | Low | 64.2 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -100.6 | 138.3 | 179 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | V262 L264 W295 W302 E309 R310 | V262-V305 HydrophobicContact CG1-CG1 4.12Å; V262-V305 HydrophobicContact CG1-CG2 4.2Å; L264-V305 HydrophobicContact CD2-CG2 4.29Å; W295-V305 HydrophobicContact CH2-CG2 3.62Å; W295-V305 HydrophobicContact CZ3-CG2 3.52Å; W302-V305 PolarHBondContact O-N 3.08Å; V305-E309 HydrophobicContact CG1-CB 3.7Å; V305-R310 HydrophobicContact CB-CG 4.23Å; V305-R310 HydrophobicContact CG1-CG 4.02Å; V305-R310 PolarHBondContact O-NE 3.06Å; V305-R310 PolarHBondContact O-NH2 3.14Å |
| 306 | S | 65.3 | Low | 63.6 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | trans | -61.9 | 147.4 | 179.9 | 80.1 | 0 | 0 | 0 | 0 | 112.4 | S308 E309 R310 | S306-S308 VanDerWaalsContact C-N 3.26Å; S306-S308 PolarHBondContact O-N 3.28Å; S306-E309 PolarHBondContact O-N 3.06Å; S306-E309 WeakPolarHBondContact OG-CG 3.32Å; S306-E309 PolarHBondContact OG-N 2.98Å; S306-R310 PolarHBondContact O-N 3.01Å | ||
| 307 | K | 65.9 | Low | 63 | Low | 151 Ų | 151 | 69.6 Ų | 69.6 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -55 | -39.7 | -179.8 | -169.9 | 179.4 | 177.5 | -174.2 | 0 | 113 | E309 R310 E311 | K307-E309 PolarHBondContact O-N 3.33Å; K307-R310 PolarHBondContact O-N 3.26Å; K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.39Å; K307-E311 PolarHBondContact O-N 3.22Å |
| 308 | S | 65.1 | Low | 62.7 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 113 | S306 K312 | S306-S308 VanDerWaalsContact C-N 3.26Å; S306-S308 PolarHBondContact O-N 3.28Å; S308-K312 VanDerWaalsContact O-CG 3.3Å; S308-K312 WeakPolarHBondContact O-CG 3.25Å; S308-K312 PolarHBondContact O-N 3.06Å; S308-K312 VanDerWaalsContact O-N 3.14Å |
| 309 | E | 65.7 | Low | 62.5 | Low | 59 Ų | 59 | 75.1 Ų | 75.1 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.7 | -33.4 | 176.1 | -69.5 | -67.1 | 116 | 0 | 0 | 111.4 | V305 S306 K307 K312 L313 | V305-E309 HydrophobicContact CG1-CB 3.7Å; S306-E309 PolarHBondContact O-N 3.06Å; S306-E309 WeakPolarHBondContact OG-CG 3.32Å; S306-E309 PolarHBondContact OG-N 2.98Å; K307-E309 PolarHBondContact O-N 3.33Å; E309-K312 PolarHBondContact O-N 3.25Å; E309-K312 IonicContact OE1-NZ 3.99Å; E309-K312 PolarHBondContact OE1-NZ 2.64Å; E309-L313 WeakPolarHBondContact O-CB 3.23Å; E309-L313 WeakPolarHBondContact O-CD1 3.5Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 2.88Å |
| 310 | R | 65.4 | Low | 62.3 | Low | 67 Ų | 67 | 74.8 Ų | 74.8 | 25% | 0.253 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 172.6 | -65 | -170 | -143.5 | 171.8 | 16 | 112.6 | W302 N303 V305 S306 K307 K312 L313 G314 | W302-R310 HydrophobicContact CE3-CG 4.33Å; W302-R310 PolarHBondContact O-NE 2.83Å; W302-R310 PolarHBondContact O-NH2 3.4Å; N303-R310 PolarHBondContact OD1-NH1 2.81Å; V305-R310 HydrophobicContact CB-CG 4.23Å; V305-R310 HydrophobicContact CG1-CG 4.02Å; V305-R310 PolarHBondContact O-NE 3.06Å; V305-R310 PolarHBondContact O-NH2 3.14Å; S306-R310 PolarHBondContact O-N 3.01Å; K307-R310 PolarHBondContact O-N 3.26Å; R310-K312 VanDerWaalsContact C-N 3.29Å; R310-K312 PolarHBondContact O-N 2.67Å; R310-L313 PolarHBondContact O-N 3.41Å; R310-L313 VanDerWaalsContact O-N 3.14Å; R310-G314 PolarHBondContact O-N 3.02Å; R310-G314 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 65.6 | Low | 62.3 | Low | 131 Ų | 131 | 67.1 Ų | 67.1 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 174.8 | -75.7 | 170.9 | -173 | 0 | 0 | 111.2 | K307 G314 | K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.39Å; K307-E311 PolarHBondContact O-N 3.22Å; E311-G314 PolarHBondContact O-N 2.94Å |
| 312 | K | 64.1 | Low | 62.8 | Low | 116 Ų | 116 | 65.5 Ų | 65.5 | 50% | 0.504 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69 | -30.3 | 173.8 | -73.7 | 176.4 | -163.4 | 167.4 | 0 | 114.1 | R260 S308 E309 R310 | R260-K312 PolarHBondContact NH1-O 3.4Å; S308-K312 VanDerWaalsContact O-CG 3.3Å; S308-K312 WeakPolarHBondContact O-CG 3.25Å; S308-K312 PolarHBondContact O-N 3.06Å; S308-K312 VanDerWaalsContact O-N 3.14Å; E309-K312 PolarHBondContact O-N 3.25Å; E309-K312 IonicContact OE1-NZ 3.99Å; E309-K312 PolarHBondContact OE1-NZ 2.64Å; R310-K312 VanDerWaalsContact C-N 3.29Å; R310-K312 PolarHBondContact O-N 2.67Å |
| 313 | L | 60.5 | Low | 63.5 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -76.7 | -11.4 | 175.5 | -73 | 164.3 | 0 | 0 | 0 | 111.8 | R260 V262 W302 E309 R310 V315 W324 | R260-L313 HydrophobicContact CB-CD2 4.39Å; V262-L313 HydrophobicContact CG1-CD1 4.34Å; V262-L313 HydrophobicContact CG2-CD1 3.87Å; V262-L313 HydrophobicContact CG2-CD2 3.97Å; W302-L313 HydrophobicContact CZ3-CD1 3.93Å; E309-L313 WeakPolarHBondContact O-CB 3.23Å; E309-L313 WeakPolarHBondContact O-CD1 3.5Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 2.88Å; R310-L313 PolarHBondContact O-N 3.41Å; R310-L313 VanDerWaalsContact O-N 3.14Å; L313-V315 HydrophobicContact CB-CG2 3.95Å; L313-V315 PolarHBondContact O-N 3.34Å; L313-W324 HydrophobicContact CB-CZ2 4.25Å; L313-W324 HydrophobicContact CD2-CH2 3.64Å; L313-W324 HydrophobicContact CD2-CZ2 3.71Å; L313-W324 HydrophobicContact CD2-CZ3 4.24Å |
| 314 | G | 58.4 | Low | 64.4 | Low | 34 Ų | 34 | 60.4 Ų | 60.4 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 34.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R310 E311 T316 | R310-G314 PolarHBondContact O-N 3.02Å; R310-G314 VanDerWaalsContact O-N 3.09Å; E311-G314 PolarHBondContact O-N 2.94Å; G314-T316 PolarHBondContact O-N 3.1Å |
| 315 | V | 57.3 | Low | 65.3 | Low | 36 Ų | 36 | 54.4 Ų | 54.4 | 22% | 0.218 | 29% | 0.285 | C | S | . | . | trans | -66.8 | 100.5 | 177 | -175.7 | 0 | 0 | 0 | 0 | 108 | W302 L313 | W302-V315 HydrophobicContact CE3-CG2 4.29Å; W302-V315 HydrophobicContact CH2-CG2 3.64Å; W302-V315 HydrophobicContact CZ2-CG1 4.36Å; W302-V315 HydrophobicContact CZ2-CG2 3.92Å; W302-V315 HydrophobicContact CZ3-CG2 3.84Å; L313-V315 HydrophobicContact CB-CG2 3.95Å; L313-V315 PolarHBondContact O-N 3.34Å | ||
| 316 | T | 54.4 | Low | 66.3 | Low | 62 Ų | 62 | 55.2 Ų | 55.2 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | trans | -89.2 | 137.5 | 166.9 | 37.4 | 0 | 0 | 0 | 0 | 107.9 | G314 Q318 | G314-T316 PolarHBondContact O-N 3.1Å; T316-Q318 PolarHBondContact O-N 2.87Å | ||
| 317 | V | 53.9 | Low | 67.3 | Low | 109 Ų | 109 | 53.8 Ų | 53.8 | 66% | 0.661 | 28% | 0.279 | S | S | * | . | trans | -96.8 | 82.4 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 318 | Q | 56.3 | Low | 68.1 | Low | 127 Ų | 127 | 49 Ų | 49 | 59% | 0.593 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -142.4 | 138.9 | 178.8 | -63.1 | -173.1 | 9.4 | 0 | 0 | 107.3 | E290 T316 D320 | E290-Q318 VanDerWaalsContact OE1-O 3.13Å; T316-Q318 PolarHBondContact O-N 2.87Å; Q318-D320 HydrophobicContact CB-CB 4.4Å; Q318-D320 PolarHBondContact O-N 2.93Å |
| 319 | D | 55.3 | Low | 69 | Low | 113 Ų | 113 | 47.4 Ų | 47.4 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | trans | -75.5 | 78.3 | 172.5 | -168.7 | 4.3 | 0 | 0 | 0 | 107.2 | K289 E290 | K289-D319 PolarHBondContact N-OD1 2.99Å; E290-D319 VanDerWaalsContact OE1-CA 3.25Å; E290-D319 WeakPolarHBondContact OE1-CA 3.21Å | ||
| 320 | D | 62.8 | Low | 69.9 | Low | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -111.8 | -2 | -176.9 | 69 | 28.8 | 0 | 0 | 0 | 111.8 | H71 R283 G287 E290 Q318 E322 | H71-D320 IonicContact NE2-OD2 3.96Å; H71-D320 PolarHBondContact NE2-OD2 3.11Å; R283-D320 VanDerWaalsContact CZ-O 3.23Å; R283-D320 PolarHBondContact NH1-O 2.86Å; R283-D320 PolarHBondContact NH2-O 2.95Å; G287-D320 CarbonylContact O-C 3.1Å; E290-D320 PolarHBondContact OE1-N 3.18Å; Q318-D320 HydrophobicContact CB-CB 4.4Å; Q318-D320 PolarHBondContact O-N 2.93Å; D320-E322 VanDerWaalsContact C-N 3.31Å; D320-E322 WeakPolarHBondContact OD1-CA 3.18Å; D320-E322 WeakPolarHBondContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CG 3.44Å; D320-E322 PolarHBondContact OD1-N 2.72Å |
| 321 | G | 64.8 | Low | 70.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 84.8 | -4.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R283 N284 E290 | R283-G321 CarbonylContact C-O 3.23Å; R283-G321 VanDerWaalsContact CA-O 3.32Å; R283-G321 WeakPolarHBondContact CA-O 3.5Å; N284-G321 PolarHBondContact N-O 2.88Å; E290-G321 PolarHBondContact OE1-N 2.82Å |
| 322 | E | 78.2 | Confident | 71.7 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138.1 | 170.4 | -57.5 | -148 | 125.3 | 0 | 0 | 111.4 | T257 R281 M282 R283 D320 | T257-E322 WeakPolarHBondContact CG2-OE1 3.42Å; T257-E322 PolarHBondContact OG1-OE1 2.74Å; R281-E322 IonicContact CZ-OE2 2.98Å; R281-E322 IonicContact NE-OE2 2.57Å; R281-E322 IonicContact NH1-OE2 2.84Å; R281-E322 PolarHBondContact NH1-OE2 2.94Å; M282-E322 CarbonylContact O-C 3.56Å; M282-E322 VanDerWaalsContact O-CA 3.25Å; M282-E322 WeakPolarHBondContact O-CA 3.43Å; R283-E322 HydrophobicContact CB-CG 3.99Å; R283-E322 HydrophobicContact CG-CG 3.9Å; D320-E322 VanDerWaalsContact C-N 3.31Å; D320-E322 WeakPolarHBondContact OD1-CA 3.18Å; D320-E322 WeakPolarHBondContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CG 3.44Å; D320-E322 PolarHBondContact OD1-N 2.72Å |
| 323 | F | 81.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 153.2 | 174.2 | 60.5 | -87.5 | 0 | 0 | 0 | 111.4 | L248 Y254 R281 M282 E290 W291 | L248-F323 HydrophobicContact CD2-CE2 4.12Å; L248-F323 HydrophobicContact CD2-CZ 3.66Å; Y254-F323 HydrophobicContact CD1-CE1 4.26Å; Y254-F323 HydrophobicContact CD1-CZ 4.36Å; Y254-F323 HydrophobicContact CE1-CE1 4.2Å; Y254-F323 HydrophobicContact CE1-CZ 4.35Å; R281-F323 WeakPolarHBondContact CA-O 3.26Å; M282-F323 HydrophobicContact CB-CE1 4.35Å; M282-F323 HydrophobicContact CB-CE2 4.33Å; M282-F323 HydrophobicContact CB-CZ 4.07Å; M282-F323 HydrophobicContact CE-CD2 4.2Å; M282-F323 HydrophobicContact CE-CE2 3.59Å; M282-F323 HydrophobicContact CE-CZ 4.2Å; M282-F323 PolarHBondContact N-O 2.83Å; M282-F323 PolarHBondContact O-N 2.88Å; E290-F323 HydrophobicContact CB-CB 4.5Å; E290-F323 HydrophobicContact CB-CD1 4.46Å; E290-F323 HydrophobicContact CG-CD1 4.47Å; W291-F323 HydrophobicContact CB-CB 4.27Å; W291-F323 HydrophobicContact CB-CD1 4.39Å; W291-F323 HydrophobicContact CB-CD2 3.25Å; W291-F323 HydrophobicContact CB-CE2 3.49Å; W291-F323 VanDerWaalsContact CB-CE2 3.49Å; W291-F323 HydrophobicContact CB-CG 3.74Å; W291-F323 HydrophobicContact CB-CZ 4.2Å; W291-F323 HydrophobicContact CG-CD2 4.05Å; W291-F323 HydrophobicContact CG-CE2 4.24Å |
| 324 | W | 82.5 | Confident | 73.9 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 147.9 | 172.5 | -73.5 | 91.4 | 0 | 0 | 0 | 111.3 | D258 R260 M279 I280 R281 W302 L313 | D258-W324 HydrophobicContact CB-CH2 3.84Å; D258-W324 HydrophobicContact CB-CZ2 4.29Å; R260-W324 HydrophobicContact CG-CH2 4.38Å; M279-W324 HydrophobicContact CB-CE3 3.79Å; M279-W324 HydrophobicContact CB-CZ3 3.85Å; M279-W324 HydrophobicContact CE-CB 3.91Å; M279-W324 HydrophobicContact CE-CE3 4.36Å; I280-W324 WeakPolarHBondContact O-CA 3.44Å; R281-W324 HydrophobicContact CB-CD2 3.68Å; R281-W324 HydrophobicContact CB-CE3 3.71Å; R281-W324 HydrophobicContact CB-CG 4.34Å; R281-W324 HydrophobicContact CB-CH2 3.84Å; R281-W324 HydrophobicContact CB-CZ2 3.79Å; R281-W324 HydrophobicContact CB-CZ3 3.8Å; R281-W324 HydrophobicContact CG-CD2 4.04Å; R281-W324 HydrophobicContact CG-CG 4.29Å; R281-W324 HydrophobicContact CG-CZ2 4.21Å; W302-W324 HydrophobicContact CH2-CB 3.93Å; W302-W324 HydrophobicContact CH2-CD2 4.44Å; W302-W324 AromaticContact CH2-CG 3.86Å; W302-W324 HydrophobicContact CH2-CG 3.86Å; W302-W324 HydrophobicContact CZ2-CB 3.7Å; W302-W324 AromaticContact CZ2-CG 3.97Å; W302-W324 HydrophobicContact CZ2-CG 3.97Å; L313-W324 HydrophobicContact CB-CZ2 4.25Å; L313-W324 HydrophobicContact CD2-CH2 3.64Å; L313-W324 HydrophobicContact CD2-CZ2 3.71Å; L313-W324 HydrophobicContact CD2-CZ3 4.24Å |
| 325 | M | 83.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.6 | 175 | -176.3 | 171.2 | 45.3 | 0 | 0 | 110.5 | I280 M282 W291 D329 F330 F334 | I280-M325 HydrophobicContact CG2-CB 4.48Å; I280-M325 WeakPolarHBondContact CG2-O 3.45Å; I280-M325 PolarHBondContact N-O 2.99Å; I280-M325 PolarHBondContact O-N 2.99Å; M282-M325 HydrophobicContact CE-CB 3.85Å; M282-M325 HydrophobicContact CE-CE 3.26Å; M282-M325 HydrophobicContact SD-CE 4.12Å; W291-M325 HydrophobicContact CD2-SD 4.24Å; W291-M325 HydrophobicContact CE3-SD 4.45Å; W291-M325 HydrophobicContact CH2-SD 4.34Å; W291-M325 HydrophobicContact CZ2-SD 4.1Å; W291-M325 HydrophobicContact CZ3-SD 4.47Å; M325-D329 HydrophobicContact CG-CB 3.84Å; M325-D329 HydrophobicContact SD-CB 3.84Å; M325-F330 HydrophobicContact CE-CB 3.76Å; M325-F330 HydrophobicContact CE-CD2 3.86Å; M325-F330 HydrophobicContact CE-CG 4.33Å; M325-F334 HydrophobicContact CE-CD2 3.87Å; M325-F334 HydrophobicContact CE-CE2 3.4Å; M325-F334 HydrophobicContact CE-CZ 4.42Å |
| 326 | N | 85.7 | Confident | 76.6 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 142 | 169.8 | -177 | 28.5 | 0 | 0 | 0 | 110.2 | H278 D328 D329 F330 | H278-N326 PolarHBondContact O-OD1 2.9Å; N326-D328 WeakPolarHBondContact ND2-CB 3.19Å; N326-D328 PolarHBondContact ND2-OD2 2.84Å; N326-D328 PolarHBondContact O-N 2.82Å; N326-D329 PolarHBondContact O-N 3.33Å; N326-F330 PolarHBondContact O-N 3.04Å |
| 327 | F | 84.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -26.5 | -178.4 | -164.7 | -104.2 | 0 | 0 | 0 | 113.1 | R211 L214 F215 H278 I280 F330 C331 | R211-F327 HydrophobicContact CG-CD1 3.69Å; R211-F327 HydrophobicContact CG-CE1 3.74Å; R211-F327 WeakPolarHBondContact O-CE1 3.45Å; L214-F327 HydrophobicContact CB-CE1 4.48Å; L214-F327 HydrophobicContact CB-CZ 4.38Å; L214-F327 HydrophobicContact CD2-CE1 4.34Å; L214-F327 HydrophobicContact CD2-CZ 3.82Å; L214-F327 HydrophobicContact CG-CE1 4.46Å; L214-F327 HydrophobicContact CG-CZ 3.91Å; F215-F327 HydrophobicContact CB-CD1 3.89Å; F215-F327 HydrophobicContact CB-CE1 3.78Å; F215-F327 HydrophobicContact CB-CG 4.37Å; F215-F327 HydrophobicContact CB-CZ 4.17Å; F215-F327 HydrophobicContact CD2-CB 3.96Å; F215-F327 AromaticContact CD2-CD1 3.98Å; F215-F327 HydrophobicContact CD2-CD1 3.98Å; F215-F327 AromaticContact CD2-CD2 3.63Å; F215-F327 HydrophobicContact CD2-CD2 3.63Å; F215-F327 HydrophobicContact CD2-CE1 4.38Å; F215-F327 HydrophobicContact CD2-CE2 4.06Å; F215-F327 AromaticContact CD2-CG 3.57Å; F215-F327 HydrophobicContact CD2-CG 3.57Å; F215-F327 HydrophobicContact CD2-CZ 4.42Å; F215-F327 HydrophobicContact CE2-CB 4.39Å; F215-F327 HydrophobicContact CE2-CD2 4.3Å; F215-F327 HydrophobicContact CE2-CG 4.37Å; F215-F327 HydrophobicContact CG-CD1 4.37Å; F215-F327 HydrophobicContact CG-CG 4.39Å; H278-F327 HydrophobicContact CB-CB 3.75Å; H278-F327 WeakPolarHBondContact O-CB 3.45Å; H278-F327 PolarHBondContact O-N 2.85Å; I280-F327 HydrophobicContact CG2-CD2 4.46Å; F327-F330 HydrophobicContact CD2-CB 4.48Å; F327-F330 HydrophobicContact CD2-CD1 4.01Å; F327-F330 HydrophobicContact CD2-CG 4.49Å; F327-F330 AromaticContact CE2-CD1 3.74Å; F327-F330 HydrophobicContact CE2-CD1 3.74Å; F327-F330 HydrophobicContact CE2-CE1 4.16Å; F327-F330 HydrophobicContact CZ-CD1 4.3Å; F327-F330 WeakPolarHBondContact O-CB 3.19Å; F327-F330 PolarHBondContact O-N 2.75Å; F327-C331 VanDerWaalsContact CE1-SG 3.57Å; F327-C331 PolarHBondContact O-N 2.95Å; F327-C331 PolarHBondContact O-SG 3.5Å |
| 328 | D | 83.9 | Confident | 80.1 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.4 | -53.2 | -44.5 | 0 | 0 | 0 | 111.5 | R211 N326 F330 C331 Q332 | R211-D328 WeakPolarHBondContact CD-OD1 3.16Å; R211-D328 IonicContact CZ-OD1 2.65Å; R211-D328 VanDerWaalsContact CZ-OD1 3.28Å; R211-D328 IonicContact NE-OD1 2.76Å; R211-D328 PolarHBondContact NE-OD1 2.87Å; R211-D328 IonicContact NH2-OD1 3.65Å; R211-D328 PolarHBondContact NH2-OD1 2.88Å; N326-D328 WeakPolarHBondContact ND2-CB 3.19Å; N326-D328 PolarHBondContact ND2-OD2 2.84Å; N326-D328 PolarHBondContact O-N 2.82Å; D328-F330 VanDerWaalsContact C-N 3.35Å; D328-C331 PolarHBondContact O-N 3.26Å; D328-Q332 WeakPolarHBondContact O-CG 3.41Å; D328-Q332 PolarHBondContact O-N 2.95Å |
| 329 | D | 83.7 | Confident | 81.7 | Confident | 31 Ų | 31 | 25.3 Ų | 25.3 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 176.4 | -61.5 | -33.6 | 0 | 0 | 0 | 110.1 | M325 N326 C331 Q332 Y333 | M325-D329 HydrophobicContact CG-CB 3.84Å; M325-D329 HydrophobicContact SD-CB 3.84Å; N326-D329 PolarHBondContact O-N 3.33Å; D329-C331 VanDerWaalsContact C-N 3.31Å; D329-C331 PolarHBondContact O-N 2.95Å; D329-Q332 WeakPolarHBondContact O-CB 3.25Å; D329-Q332 PolarHBondContact O-N 3.05Å; D329-Y333 HydrophobicContact CB-CD2 4.41Å; D329-Y333 HydrophobicContact CB-CE2 4.44Å; D329-Y333 VanDerWaalsContact O-CD2 3.22Å; D329-Y333 WeakPolarHBondContact O-CD2 3.46Å; D329-Y333 PolarHBondContact O-N 3.4Å |
| 330 | F | 85.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -52.6 | -48.7 | 173.5 | 175.8 | -97.4 | 0 | 0 | 0 | 112.1 | L199 C230 I280 M282 M325 N326 F327 D328 Q332 Y333 F334 L337 | L199-F330 HydrophobicContact CD1-CD1 4.4Å; L199-F330 HydrophobicContact CD1-CE1 3.63Å; L199-F330 HydrophobicContact CD1-CZ 3.96Å; C230-F330 HydrophobicContact CB-CE2 3.73Å; C230-F330 HydrophobicContact CB-CZ 3.76Å; I280-F330 HydrophobicContact CD1-CD2 4.39Å; I280-F330 HydrophobicContact CD1-CE2 4.37Å; I280-F330 HydrophobicContact CG2-CB 4.1Å; I280-F330 HydrophobicContact CG2-CD2 4.37Å; I280-F330 HydrophobicContact CG2-CG 4.28Å; M282-F330 HydrophobicContact CE-CD2 4.32Å; M282-F330 HydrophobicContact SD-CD2 3.72Å; M282-F330 HydrophobicContact SD-CE2 3.81Å; M325-F330 HydrophobicContact CE-CB 3.76Å; M325-F330 HydrophobicContact CE-CD2 3.86Å; M325-F330 HydrophobicContact CE-CG 4.33Å; N326-F330 PolarHBondContact O-N 3.04Å; F327-F330 HydrophobicContact CD2-CB 4.48Å; F327-F330 HydrophobicContact CD2-CD1 4.01Å; F327-F330 HydrophobicContact CD2-CG 4.49Å; F327-F330 AromaticContact CE2-CD1 3.74Å; F327-F330 HydrophobicContact CE2-CD1 3.74Å; F327-F330 HydrophobicContact CE2-CE1 4.16Å; F327-F330 HydrophobicContact CZ-CD1 4.3Å; F327-F330 WeakPolarHBondContact O-CB 3.19Å; F327-F330 PolarHBondContact O-N 2.75Å; D328-F330 VanDerWaalsContact C-N 3.35Å; F330-Q332 PolarHBondContact O-N 3.13Å; F330-Y333 PolarHBondContact O-N 3.18Å; F330-F334 HydrophobicContact CD2-CB 4.05Å; F330-F334 HydrophobicContact CD2-CD1 4.39Å; F330-F334 AromaticContact CD2-CD2 3.36Å; F330-F334 HydrophobicContact CD2-CD2 3.36Å; F330-F334 AromaticContact CD2-CE2 3.88Å; F330-F334 HydrophobicContact CD2-CE2 3.88Å; F330-F334 AromaticContact CD2-CG 3.66Å; F330-F334 HydrophobicContact CD2-CG 3.66Å; F330-F334 HydrophobicContact CE1-CB 4.45Å; F330-F334 HydrophobicContact CE2-CB 3.66Å; F330-F334 AromaticContact CE2-CD1 3.75Å; F330-F334 HydrophobicContact CE2-CD1 3.75Å; F330-F334 AromaticContact CE2-CD2 3.58Å; F330-F334 HydrophobicContact CE2-CD2 3.58Å; F330-F334 HydrophobicContact CE2-CE1 4.27Å; F330-F334 HydrophobicContact CE2-CE2 4.16Å; F330-F334 AromaticContact CE2-CG 3.35Å; F330-F334 HydrophobicContact CE2-CG 3.35Å; F330-F334 HydrophobicContact CE2-CZ 4.45Å; F330-F334 HydrophobicContact CG-CD2 4.24Å; F330-F334 HydrophobicContact CZ-CB 3.87Å; F330-F334 HydrophobicContact CZ-CD1 4.47Å; F330-F334 HydrophobicContact CZ-CG 4.06Å; F330-F334 WeakPolarHBondContact O-CB 3.05Å; F330-F334 PolarHBondContact O-N 2.89Å; F330-L337 HydrophobicContact CZ-CD1 4.03Å |
| 331 | C | 83.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.1 | -15.5 | 178.2 | -70.2 | 0 | 0 | 0 | 0 | 114.3 | M204 F327 D328 D329 | M204-C331 HydrophobicContact CB-CB 4.2Å; F327-C331 VanDerWaalsContact CE1-SG 3.57Å; F327-C331 PolarHBondContact O-N 2.95Å; F327-C331 PolarHBondContact O-SG 3.5Å; D328-C331 PolarHBondContact O-N 3.26Å; D329-C331 VanDerWaalsContact C-N 3.31Å; D329-C331 PolarHBondContact O-N 2.95Å |
| 332 | Q | 83.4 | Confident | 85.3 | Confident | 117 Ų | 117 | 23 Ų | 23 | 55% | 0.547 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -87.1 | -39.9 | 175.6 | -70.3 | -179.8 | 12.1 | 0 | 0 | 112.7 | A205 D328 D329 F330 | A205-Q332 HydrophobicContact CB-CG 4.3Å; D328-Q332 WeakPolarHBondContact O-CG 3.41Å; D328-Q332 PolarHBondContact O-N 2.95Å; D329-Q332 WeakPolarHBondContact O-CB 3.25Å; D329-Q332 PolarHBondContact O-N 3.05Å; F330-Q332 PolarHBondContact O-N 3.13Å |
| 333 | Y | 84.8 | Confident | 85.3 | Confident | 93 Ų | 93 | 23.6 Ų | 23.6 | 37% | 0.365 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -93.3 | -36.8 | -174.8 | -68.5 | -79 | 0 | 0 | 0 | 113.6 | L248 W291 D329 F330 | L248-Y333 HydrophobicContact CD1-CG 4.25Å; W291-Y333 AromaticContact CH2-CD2 3.7Å; W291-Y333 HydrophobicContact CH2-CD2 3.7Å; W291-Y333 HydrophobicContact CH2-CE1 4.37Å; W291-Y333 AromaticContact CH2-CE2 3.41Å; W291-Y333 HydrophobicContact CH2-CE2 3.41Å; W291-Y333 VanDerWaalsContact CH2-CE2 3.41Å; W291-Y333 HydrophobicContact CH2-CG 4.35Å; W291-Y333 AromaticContact CH2-CZ 3.76Å; W291-Y333 HydrophobicContact CZ2-CE2 4.28Å; W291-Y333 HydrophobicContact CZ3-CD2 4.11Å; W291-Y333 HydrophobicContact CZ3-CE2 4.17Å; W291-Y333 HydrophobicContact CZ3-CG 4.35Å; D329-Y333 HydrophobicContact CB-CD2 4.41Å; D329-Y333 HydrophobicContact CB-CE2 4.44Å; D329-Y333 VanDerWaalsContact O-CD2 3.22Å; D329-Y333 WeakPolarHBondContact O-CD2 3.46Å; D329-Y333 PolarHBondContact O-N 3.4Å; F330-Y333 PolarHBondContact O-N 3.18Å |
| 334 | F | 86.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | trans | -86.5 | 145 | -177.7 | -73.2 | -100.7 | 0 | 0 | 0 | 111.5 | L199 C230 I232 L248 Y254 M282 M325 F330 | L199-F334 HydrophobicContact CD1-CB 3.89Å; L199-F334 WeakPolarHBondContact CD1-O 3.29Å; C230-F334 HydrophobicContact CB-CD1 3.75Å; C230-F334 HydrophobicContact CB-CE1 4.08Å; C230-F334 VanDerWaalsContact SG-CE1 3.56Å; I232-F334 HydrophobicContact CD1-CE1 4.38Å; I232-F334 HydrophobicContact CD1-CZ 4.45Å; I232-F334 HydrophobicContact CG1-CD1 3.82Å; I232-F334 HydrophobicContact CG1-CE1 4.02Å; I232-F334 HydrophobicContact CG1-CG 4.23Å; L248-F334 HydrophobicContact CD1-CE2 3.91Å; L248-F334 HydrophobicContact CD1-CZ 4.39Å; L248-F334 HydrophobicContact CD2-CE2 4.38Å; L248-F334 HydrophobicContact CD2-CZ 4.21Å; Y254-F334 AromaticContact CD2-CE1 3.73Å; Y254-F334 HydrophobicContact CD2-CE1 3.73Å; Y254-F334 HydrophobicContact CD2-CZ 4.22Å; Y254-F334 HydrophobicContact CE2-CE1 4.31Å; Y254-F334 HydrophobicContact CG-CE1 4.15Å; Y254-F334 HydrophobicContact CG-CZ 4.42Å; M282-F334 HydrophobicContact SD-CE1 4.27Å; M282-F334 HydrophobicContact SD-CE2 3.99Å; M282-F334 HydrophobicContact SD-CZ 3.72Å; M325-F334 HydrophobicContact CE-CD2 3.87Å; M325-F334 HydrophobicContact CE-CE2 3.4Å; M325-F334 HydrophobicContact CE-CZ 4.42Å; F330-F334 HydrophobicContact CD2-CB 4.05Å; F330-F334 HydrophobicContact CD2-CD1 4.39Å; F330-F334 AromaticContact CD2-CD2 3.36Å; F330-F334 HydrophobicContact CD2-CD2 3.36Å; F330-F334 AromaticContact CD2-CE2 3.88Å; F330-F334 HydrophobicContact CD2-CE2 3.88Å; F330-F334 AromaticContact CD2-CG 3.66Å; F330-F334 HydrophobicContact CD2-CG 3.66Å; F330-F334 HydrophobicContact CE1-CB 4.45Å; F330-F334 HydrophobicContact CE2-CB 3.66Å; F330-F334 AromaticContact CE2-CD1 3.75Å; F330-F334 HydrophobicContact CE2-CD1 3.75Å; F330-F334 AromaticContact CE2-CD2 3.58Å; F330-F334 HydrophobicContact CE2-CD2 3.58Å; F330-F334 HydrophobicContact CE2-CE1 4.27Å; F330-F334 HydrophobicContact CE2-CE2 4.16Å; F330-F334 AromaticContact CE2-CG 3.35Å; F330-F334 HydrophobicContact CE2-CG 3.35Å; F330-F334 HydrophobicContact CE2-CZ 4.45Å; F330-F334 HydrophobicContact CG-CD2 4.24Å; F330-F334 HydrophobicContact CZ-CB 3.87Å; F330-F334 HydrophobicContact CZ-CD1 4.47Å; F330-F334 HydrophobicContact CZ-CG 4.06Å; F330-F334 WeakPolarHBondContact O-CB 3.05Å; F330-F334 PolarHBondContact O-N 2.89Å | ||
| 335 | T | 86.7 | Confident | 83.9 | Confident | 16 Ų | 16 | 28.4 Ų | 28.4 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | trans | -106.2 | -37.8 | -177.1 | 59 | 0 | 0 | 0 | 0 | 112.2 | L199 L200 S231 R233 | L199-T335 WeakPolarHBondContact CB-O 3.28Å; L199-T335 PolarHBondContact N-O 3.18Å; L200-T335 HydrophobicContact CD1-CG2 3.9Å; L200-T335 HydrophobicContact CD2-CG2 4.4Å; L200-T335 HydrophobicContact CG-CG2 4.24Å; S231-T335 PolarHBondContact O-N 3.1Å; S231-T335 PolarHBondContact O-OG1 3.22Å; R233-T335 HydrophobicContact CB-CG2 4.14Å; R233-T335 WeakPolarHBondContact CB-OG1 3.35Å; R233-T335 PolarHBondContact N-OG1 3.23Å | ||
| 336 | D | 87.3 | Confident | 83 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 19% | 0.187 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.2 | -170.2 | -64.9 | -82.8 | 0 | 0 | 0 | 110.3 | C230 S231 R233 | C230-D336 CarbonylContact C-O 3.52Å; C230-D336 VanDerWaalsContact CA-O 3.32Å; C230-D336 WeakPolarHBondContact CA-O 3.37Å; S231-D336 PolarHBondContact N-O 3.38Å; S231-D336 PolarHBondContact O-N 3.35Å; S231-D336 VanDerWaalsContact O-N 3.16Å; R233-D336 IonicContact CZ-OD1 2.76Å; R233-D336 IonicContact CZ-OD2 3.61Å; R233-D336 IonicContact NE-OD1 3.05Å; R233-D336 IonicContact NE-OD2 3.13Å; R233-D336 PolarHBondContact NE-OD2 3Å; R233-D336 VanDerWaalsContact NE-OD2 3.16Å; R233-D336 IonicContact NH2-OD1 2.7Å; R233-D336 PolarHBondContact NH2-OD1 2.95Å; R233-D336 IonicContact NH2-OD2 2.8Å; R233-D336 PolarHBondContact NH2-OD2 2.84Å |
| 337 | L | 90.8 | Very high | 81.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.5 | 177.4 | 176.5 | 72.3 | 0 | 0 | 0 | 109.8 | P196 V197 L199 L214 V218 I228 C230 F330 L339 | P196-L337 CarbonylContact C-O 3.52Å; V197-L337 HydrophobicContact CB-CB 4.3Å; V197-L337 PolarHBondContact N-O 2.98Å; V197-L337 PolarHBondContact O-N 3.25Å; L199-L337 HydrophobicContact CD1-CB 4.36Å; L199-L337 HydrophobicContact CD2-CB 4.28Å; L199-L337 HydrophobicContact CG-CB 4.38Å; L214-L337 HydrophobicContact CD1-CD2 4.14Å; L214-L337 HydrophobicContact CD2-CD2 4.33Å; V218-L337 HydrophobicContact CG2-CD2 3.71Å; I228-L337 HydrophobicContact CG2-CD1 3.72Å; C230-L337 HydrophobicContact CB-CD1 4.06Å; F330-L337 HydrophobicContact CZ-CD1 4.03Å; L337-L339 HydrophobicContact CD1-CD2 4.37Å; L337-L339 HydrophobicContact CD2-CD2 4.09Å; L337-L339 HydrophobicContact CD2-CG 4.4Å; L337-L339 HydrophobicContact CG-CD2 4.09Å; L337-L339 HydrophobicContact CG-CG 4.36Å |
| 338 | I | 90.2 | Very high | 80.1 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.7 | -177.3 | -59.4 | 170.3 | 0 | 0 | 0 | 108.4 | A183 L186 S194 I228 S229 | A183-I338 HydrophobicContact CB-CD1 4.16Å; A183-I338 HydrophobicContact CB-CG2 3.81Å; L186-I338 HydrophobicContact CD1-CG2 3.97Å; S194-I338 WeakPolarHBondContact OG-CG2 3.33Å; I228-I338 WeakPolarHBondContact CA-O 3.33Å; S229-I338 PolarHBondContact N-O 3.43Å; S229-I338 PolarHBondContact O-N 2.89Å |
| 339 | L | 90 | Very high | 78.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 102.5 | 179.3 | -57.9 | 177.7 | 0 | 0 | 0 | 109.8 | E195 V197 R217 V218 V221 I228 L337 R341 | E195-L339 HydrophobicContact CB-CB 4.33Å; E195-L339 PolarHBondContact N-O 2.8Å; E195-L339 PolarHBondContact O-N 2.81Å; V197-L339 HydrophobicContact CG2-CD1 4.13Å; R217-L339 HydrophobicContact CG-CD1 4.14Å; V218-L339 HydrophobicContact CG2-CD2 4.13Å; V221-L339 HydrophobicContact CG2-CB 4.44Å; V221-L339 HydrophobicContact CG2-CD1 4.47Å; I228-L339 HydrophobicContact CB-CD2 4.39Å; I228-L339 HydrophobicContact CD1-CD2 4.35Å; I228-L339 HydrophobicContact CG1-CD2 3.83Å; I228-L339 HydrophobicContact CG2-CD2 3.8Å; L337-L339 HydrophobicContact CD1-CD2 4.37Å; L337-L339 HydrophobicContact CD2-CD2 4.09Å; L337-L339 HydrophobicContact CD2-CG 4.4Å; L337-L339 HydrophobicContact CG-CD2 4.09Å; L337-L339 HydrophobicContact CG-CG 4.36Å; L339-R341 PolarHBondContact O-N 3.28Å |
| 340 | C | 89.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 107.7 | 172.5 | -168.7 | 0 | 0 | 0 | 0 | 110.4 | L186 T190 V193 G226 L227 | L186-C340 HydrophobicContact CB-CB 3.82Å; L186-C340 HydrophobicContact CD1-CB 4.07Å; L186-C340 HydrophobicContact CG-CB 4.49Å; T190-C340 PolarHBondContact OG1-SG 2.86Å; V193-C340 WeakPolarHBondContact O-CA 3.3Å; G226-C340 CarbonylContact C-O 3.51Å; G226-C340 WeakPolarHBondContact CA-O 3.41Å; L227-C340 HydrophobicContact CB-CB 4.17Å; L227-C340 PolarHBondContact N-O 3.06Å; L227-C340 WeakPolarHBondContact O-CA 3.36Å; L227-C340 VanDerWaalsContact O-CB 3.3Å; L227-C340 WeakPolarHBondContact O-CB 3.25Å; L227-C340 PolarHBondContact O-N 2.86Å |
| 341 | R | 86.9 | Confident | 76.4 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.8 | -177.6 | -60.7 | 179.4 | -177.1 | -77.6 | -14.3 | 110.4 | G192 V193 E195 R217 V221 L339 I343 | G192-R341 CarbonylContact C-O 3.59Å; G192-R341 VanDerWaalsContact CA-O 3.27Å; G192-R341 WeakPolarHBondContact CA-O 3.26Å; V193-R341 PolarHBondContact N-O 2.84Å; V193-R341 PolarHBondContact O-N 3.41Å; E195-R341 IonicContact OE2-CZ 3.74Å; E195-R341 IonicContact OE2-NE 3.94Å; E195-R341 PolarHBondContact OE2-NE 2.96Å; E195-R341 IonicContact OE2-NH2 3.1Å; E195-R341 PolarHBondContact OE2-NH2 2.93Å; R217-R341 VanDerWaalsContact NH2-NH2 3.14Å; V221-R341 HydrophobicContact CG2-CG 4.11Å; V221-R341 VanDerWaalsContact CG2-CZ 3.45Å; L339-R341 PolarHBondContact O-N 3.28Å; R341-I343 HydrophobicContact CB-CD1 3.96Å; R341-I343 PolarHBondContact O-N 2.84Å |
| 342 | L | 82 | Confident | 75.7 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | trans | -76.9 | 109.4 | 160.7 | -60.5 | 179.9 | 0 | 0 | 0 | 108.5 | L96 T190 D225 N344 | L96-L342 HydrophobicContact CD1-CD1 4.15Å; L96-L342 HydrophobicContact CD2-CD1 3.82Å; L96-L342 HydrophobicContact CD2-CD2 4Å; L96-L342 HydrophobicContact CG-CD1 4.34Å; T190-L342 HydrophobicContact CG2-CD2 4.12Å; D225-L342 HydrophobicContact CB-CD1 4.03Å; D225-L342 WeakPolarHBondContact O-CD1 3.39Å; L342-N344 PolarHBondContact O-N 3.12Å | ||
| 343 | I | 76.9 | Confident | 75.3 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | trans | -80.6 | 118.1 | 178.4 | -55.5 | -59.4 | 0 | 0 | 0 | 108.7 | V193 R341 T345 W354 L403 F489 | V193-I343 HydrophobicContact CB-CG1 4.48Å; V193-I343 HydrophobicContact CG2-CD1 4.43Å; V193-I343 HydrophobicContact CG2-CG1 3.74Å; R341-I343 HydrophobicContact CB-CD1 3.96Å; R341-I343 PolarHBondContact O-N 2.84Å; I343-T345 HydrophobicContact CG2-CG2 4.24Å; I343-T345 PolarHBondContact O-N 3.34Å; I343-W354 HydrophobicContact CG2-CB 3.47Å; I343-W354 VanDerWaalsContact CG2-CB 3.47Å; I343-W354 HydrophobicContact CG2-CG 3.64Å; I343-L403 HydrophobicContact CD1-CD1 4.13Å; I343-F489 HydrophobicContact CB-CD1 4.22Å; I343-F489 HydrophobicContact CB-CE1 3.98Å; I343-F489 HydrophobicContact CG1-CD1 4.17Å; I343-F489 HydrophobicContact CG1-CE1 3.93Å; I343-F489 HydrophobicContact CG1-CZ 4.21Å; I343-F489 HydrophobicContact CG2-CD1 3.61Å; I343-F489 HydrophobicContact CG2-CE1 3.84Å; I343-F489 HydrophobicContact CG2-CG 4.44Å | ||
| 344 | N | 70.8 | Confident | 75.2 | Confident | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | trans | -79.4 | 106.8 | 177.3 | -175.4 | 2.8 | 0 | 0 | 0 | 110 | L342 S346 S349 T353 W354 | L342-N344 PolarHBondContact O-N 3.12Å; N344-S346 VanDerWaalsContact OD1-CB 3.3Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 3.37Å; N344-S349 WeakPolarHBondContact ND2-CB 3.42Å; N344-S349 PolarHBondContact ND2-OG 2.95Å; N344-T353 CarbonylContact O-C 3.44Å; N344-T353 VanDerWaalsContact O-CA 3.32Å; N344-T353 WeakPolarHBondContact O-CA 3.34Å; N344-W354 PolarHBondContact O-N 3.14Å | ||
| 345 | T | 65.7 | Low | 75.1 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | trans | -102.9 | 9.7 | 175.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | I343 Y347 E356 | I343-T345 HydrophobicContact CG2-CG2 4.24Å; I343-T345 PolarHBondContact O-N 3.34Å; T345-Y347 PolarHBondContact O-N 2.91Å; T345-E356 HydrophobicContact CG2-CB 3.93Å | ||
| 346 | S | 63.6 | Low | 75.2 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | trans | -81.3 | 120 | -176.5 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | N344 L348 S349 T353 | N344-S346 VanDerWaalsContact OD1-CB 3.3Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 3.37Å; S346-L348 PolarHBondContact O-N 2.93Å; S346-S349 PolarHBondContact O-N 3.41Å; S346-T353 WeakPolarHBondContact O-CG2 3.02Å | ||
| 347 | Y | 56.9 | Low | 75.3 | Confident | 183 Ų | 183 | 59.7 Ų | 59.7 | 72% | 0.718 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.8 | 175.8 | -64.4 | -71.7 | 0 | 0 | 0 | 115 | T345 E355 | T345-Y347 PolarHBondContact O-N 2.91Å; Y347-E355 VanDerWaalsContact CE1-OE1 3.31Å; Y347-E355 WeakPolarHBondContact CE1-OE1 3.27Å; Y347-E355 PolarHBondContact OH-OE2 3.44Å |
| 348 | L | 53.4 | Low | 75.3 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 89% | 0.89 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 22.2 | -175.4 | -70.1 | 166.2 | 0 | 0 | 0 | 113.3 | S346 | S346-L348 PolarHBondContact O-N 2.93Š|
| 349 | S | 56.3 | Low | 75.3 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | trans | -96.5 | 145.5 | -177.5 | -163 | 0 | 0 | 0 | 0 | 113.7 | N344 S346 H351 | N344-S349 WeakPolarHBondContact ND2-CB 3.42Å; N344-S349 PolarHBondContact ND2-OG 2.95Å; S346-S349 PolarHBondContact O-N 3.41Å; S349-H351 PolarHBondContact O-N 2.92Å; S349-H351 PolarHBondContact OG-N 3.28Å | ||
| 350 | I | 57 | Low | 75.4 | Confident | 161 Ų | 161 | 69.1 Ų | 69.1 | 83% | 0.826 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -76.2 | -8.6 | 167.4 | 57.3 | 170.1 | 0 | 0 | 0 | 113 | ||
| 351 | H | 62.7 | Low | 75.4 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -104.2 | 160.7 | -179.1 | -62.4 | -53.8 | 0 | 0 | 0 | 111.6 | S349 T353 | S349-H351 PolarHBondContact O-N 2.92Å; S349-H351 PolarHBondContact OG-N 3.28Å; H351-T353 PolarHBondContact O-N 3.43Å |
| 352 | K | 68.1 | Low | 75.6 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | trans | -47.9 | 116.7 | 175 | -178.8 | 176.2 | 178 | 175.8 | 0 | 110.5 | W354 D491 | K352-W354 HydrophobicContact CD-CZ2 4.26Å; K352-D491 WeakPolarHBondContact CE-OD1 3.36Å; K352-D491 VanDerWaalsContact CE-OD2 3.24Å; K352-D491 WeakPolarHBondContact CE-OD2 3.45Å; K352-D491 IonicContact NZ-OD1 3.28Å; K352-D491 PolarHBondContact NZ-OD1 3.1Å; K352-D491 IonicContact NZ-OD2 2.79Å; K352-D491 PolarHBondContact NZ-OD2 3.1Å | ||
| 353 | T | 75.1 | Confident | 76 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | trans | -90.7 | 151.6 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 110 | N344 S346 H351 | N344-T353 CarbonylContact O-C 3.44Å; N344-T353 VanDerWaalsContact O-CA 3.32Å; N344-T353 WeakPolarHBondContact O-CA 3.34Å; S346-T353 WeakPolarHBondContact O-CG2 3.02Å; H351-T353 PolarHBondContact O-N 3.43Å | ||
| 354 | W | 82.2 | Confident | 76.5 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | trans | -120.5 | 143.3 | 174 | -65.2 | 84.6 | 0 | 0 | 0 | 109 | I343 N344 K352 E401 L403 F489 D491 | I343-W354 HydrophobicContact CG2-CB 3.47Å; I343-W354 VanDerWaalsContact CG2-CB 3.47Å; I343-W354 HydrophobicContact CG2-CG 3.64Å; N344-W354 PolarHBondContact O-N 3.14Å; K352-W354 HydrophobicContact CD-CZ2 4.26Å; W354-E401 HydrophobicContact CH2-CB 4.25Å; W354-E401 HydrophobicContact CH2-CG 3.98Å; W354-E401 VanDerWaalsContact CZ3-O 3.31Å; W354-E401 WeakPolarHBondContact CZ3-O 3.34Å; W354-L403 HydrophobicContact CH2-CD1 3.88Å; W354-L403 HydrophobicContact CH2-CD2 4.39Å; W354-L403 HydrophobicContact CH2-CG 3.91Å; W354-L403 HydrophobicContact CZ2-CD1 4.03Å; W354-L403 HydrophobicContact CZ3-CD1 4.13Å; W354-L403 HydrophobicContact CZ3-CG 3.97Å; W354-F489 HydrophobicContact CD2-CB 4.45Å; W354-F489 HydrophobicContact CE3-CB 3.85Å; W354-F489 HydrophobicContact CZ3-CB 4.47Å; W354-D491 WeakPolarHBondContact CZ3-OD1 3.42Å | ||
| 355 | E | 84.4 | Confident | 77.2 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128 | 165.1 | -64.8 | -64.3 | 155.9 | 0 | 0 | 108 | Y347 F489 T490 P493 | Y347-E355 VanDerWaalsContact CE1-OE1 3.31Å; Y347-E355 WeakPolarHBondContact CE1-OE1 3.27Å; Y347-E355 PolarHBondContact OH-OE2 3.44Å; E355-F489 WeakPolarHBondContact O-CA 3.35Å; E355-T490 PolarHBondContact N-O 3.03Å; E355-T490 PolarHBondContact O-N 2.97Å; E355-T490 VanDerWaalsContact O-N 3.13Å; E355-P493 HydrophobicContact CG-CG 3.99Å |
| 356 | E | 89.3 | Confident | 77.9 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.4 | 179.5 | 178.1 | 178.9 | -153.8 | 0 | 0 | 109.7 | T345 V358 R487 F489 | T345-E356 HydrophobicContact CG2-CB 3.93Å; E356-V358 HydrophobicContact CG-CG2 3.77Å; E356-R487 WeakPolarHBondContact OE1-CD 3.34Å; E356-F489 HydrophobicContact CB-CD1 3.81Å; E356-F489 HydrophobicContact CB-CE1 3.68Å; E356-F489 VanDerWaalsContact CD-CE1 3.49Å; E356-F489 HydrophobicContact CG-CD1 3.95Å; E356-F489 HydrophobicContact CG-CE1 3.4Å; E356-F489 HydrophobicContact CG-CZ 3.99Å; E356-F489 WeakPolarHBondContact OE1-CZ 3.31Å |
| 357 | E | 89.2 | Confident | 78.6 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.8 | 170.9 | -68.4 | -69.6 | 178.3 | 0 | 0 | 109.4 | R487 V488 C496 | E357-R487 WeakPolarHBondContact O-CA 3.44Å; E357-V488 PolarHBondContact N-O 2.98Å; E357-V488 PolarHBondContact O-N 3.14Å; E357-C496 HydrophobicContact CB-CB 3.75Å; E357-C496 HydrophobicContact CG-CB 3.69Å |
| 358 | V | 90.8 | Very high | 79.6 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.5 | -175.7 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | E356 L485 R487 | E356-V358 HydrophobicContact CG-CG2 3.77Å; V358-L485 HydrophobicContact CG1-CD1 3.46Å; V358-L485 VanDerWaalsContact CG1-CD1 3.46Å; V358-L485 HydrophobicContact CG1-CG 4.23Å; V358-R487 HydrophobicContact CG1-CG 4.5Å; V358-R487 HydrophobicContact CG2-CG 4.39Å |
| 359 | M | 90.9 | Very high | 80.4 | Confident | 32 Ų | 32 | 71 Ų | 71 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.8 | -179.1 | -68 | -65 | -171.9 | 0 | 0 | 110.9 | Y391 L485 L486 C496 K497 | M359-Y391 HydrophobicContact CB-CD1 4.02Å; M359-Y391 HydrophobicContact CB-CE1 3.47Å; M359-Y391 VanDerWaalsContact CB-CE1 3.47Å; M359-Y391 HydrophobicContact CB-CE2 4.35Å; M359-Y391 HydrophobicContact CE-CD1 4.13Å; M359-Y391 HydrophobicContact CE-CE1 4.47Å; M359-Y391 HydrophobicContact CG-CD1 3.6Å; M359-Y391 HydrophobicContact CG-CE1 3.51Å; M359-Y391 HydrophobicContact CG-CG 4.38Å; M359-Y391 HydrophobicContact SD-CD1 3.95Å; M359-Y391 HydrophobicContact SD-CE1 3.71Å; M359-L485 WeakPolarHBondContact O-CA 3.43Å; M359-L486 HydrophobicContact CB-CB 4.21Å; M359-L486 PolarHBondContact N-O 3.3Å; M359-L486 PolarHBondContact O-N 2.9Å; M359-C496 VanDerWaalsContact CE-C 3.46Å; M359-C496 HydrophobicContact CE-CB 4.24Å; M359-C496 WeakPolarHBondContact CE-O 3.29Å; M359-K497 VanDerWaalsContact CE-CA 3.46Å |
| 360 | R | 91.5 | Very high | 81 | Confident | 116 Ų | 116 | 75 Ų | 75 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.6 | 176 | -67.3 | -175.6 | 175.9 | -74.9 | 7.4 | 110.3 | F128 E130 L485 | F128-R360 VanDerWaalsContact CD1-NH1 3.3Å; F128-R360 PolarHBondContact O-NH1 2.87Å; F128-R360 PolarHBondContact O-NH2 3.01Å; F128-R360 VanDerWaalsContact O-NH2 3.16Å; E130-R360 VanDerWaalsContact CD-NH2 3.31Å; E130-R360 IonicContact OE1-CZ 3.72Å; E130-R360 IonicContact OE1-NH2 3.84Å; E130-R360 PolarHBondContact OE1-NH2 3.22Å; R360-L485 HydrophobicContact CG-CD1 3.76Å |
| 361 | G | 89.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q389 E483 F484 | G361-Q389 VanDerWaalsContact CA-CD 3.48Å; G361-E483 CarbonylContact O-C 3.55Å; G361-E483 WeakPolarHBondContact O-CA 3.3Å; G361-F484 PolarHBondContact N-O 3.39Å; G361-F484 PolarHBondContact O-N 3.16Å |
| 362 | S | 90.8 | Very high | 82.7 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.8 | 168.1 | 55.9 | 0 | 0 | 0 | 0 | 115 | I364 P388 Q389 G482 | S362-I364 WeakPolarHBondContact OG-CD1 3.41Å; S362-P388 WeakPolarHBondContact O-CG 3.45Å; S362-Q389 PolarHBondContact O-NE2 3.4Å; S362-G482 CarbonylContact C-O 3.43Å; S362-G482 VanDerWaalsContact CA-O 3.26Å; S362-G482 WeakPolarHBondContact CA-O 3.37Å |
| 363 | W | 90.5 | Very high | 83.5 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 117 | 164.4 | -55.5 | -69.3 | 0 | 0 | 0 | 108.9 | R373 L406 Q408 L423 I425 P473 T475 Q480 Q481 G482 F484 | W363-R373 VanDerWaalsContact CA-O 3.29Å; W363-R373 WeakPolarHBondContact CA-O 3.49Å; W363-L406 HydrophobicContact CZ2-CD2 4.41Å; W363-Q408 HydrophobicContact CZ3-CB 4.28Å; W363-L423 HydrophobicContact CE3-CD1 4.45Å; W363-I425 HydrophobicContact CH2-CB 4.23Å; W363-I425 HydrophobicContact CH2-CG2 3.44Å; W363-I425 VanDerWaalsContact CH2-CG2 3.44Å; W363-I425 HydrophobicContact CZ2-CG2 4.14Å; W363-I425 HydrophobicContact CZ3-CG2 3.93Å; W363-P473 PolarHBondContact NE1-O 3.43Å; W363-T475 HydrophobicContact CD2-CG2 3.78Å; W363-T475 HydrophobicContact CE3-CG2 3.91Å; W363-T475 HydrophobicContact CG-CG2 4.2Å; W363-T475 HydrophobicContact CZ2-CG2 4.41Å; W363-T475 HydrophobicContact CZ3-CG2 4.29Å; W363-Q480 WeakPolarHBondContact CB-O 3.48Å; W363-Q481 VanDerWaalsContact O-CA 3.29Å; W363-Q481 WeakPolarHBondContact O-CA 3.45Å; W363-G482 PolarHBondContact N-O 2.84Å; W363-G482 PolarHBondContact O-N 2.87Å; W363-F484 AromaticContact CD2-CD1 3.68Å; W363-F484 HydrophobicContact CD2-CD1 3.68Å; W363-F484 HydrophobicContact CD2-CE1 4Å; W363-F484 AromaticContact CE2-CD1 3.37Å; W363-F484 AromaticContact CE2-CE1 3.5Å; W363-F484 AromaticContact CE3-CD1 3.93Å; W363-F484 HydrophobicContact CE3-CD1 3.93Å; W363-F484 HydrophobicContact CG-CD1 4.37Å; W363-F484 HydrophobicContact CG-CE1 4.32Å; W363-F484 HydrophobicContact CH2-CB 3.64Å; W363-F484 AromaticContact CH2-CD1 3.63Å; W363-F484 HydrophobicContact CH2-CD1 3.63Å; W363-F484 HydrophobicContact CH2-CE1 4.49Å; W363-F484 AromaticContact CH2-CG 3.92Å; W363-F484 HydrophobicContact CH2-CG 3.92Å; W363-F484 HydrophobicContact CZ2-CB 4.17Å; W363-F484 AromaticContact CZ2-CD1 3.37Å; W363-F484 HydrophobicContact CZ2-CD1 3.37Å; W363-F484 AromaticContact CZ2-CE1 3.79Å; W363-F484 HydrophobicContact CZ2-CE1 3.79Å; W363-F484 AromaticContact CZ2-CG 3.93Å; W363-F484 HydrophobicContact CZ2-CG 3.93Å; W363-F484 HydrophobicContact CZ3-CB 3.94Å; W363-F484 AromaticContact CZ3-CD1 3.91Å; W363-F484 HydrophobicContact CZ3-CD1 3.91Å; W363-F484 HydrophobicContact CZ3-CG 4.38Å; W363-F484 AromaticContact NE1-CD1 3.91Å; W363-F484 AromaticContact NE1-CE1 3.52Å |
| 364 | I | 87.1 | Confident | 84.1 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 29% | 0.292 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -124 | 126.6 | -176.2 | -56.9 | 173.3 | 0 | 0 | 0 | 108.9 | S362 R366 N372 R373 S374 | S362-I364 WeakPolarHBondContact OG-CD1 3.41Å; I364-R366 HydrophobicContact CG2-CG 4.13Å; I364-N372 PolarHBondContact O-OD1 3.06Å; I364-R373 HydrophobicContact CB-CB 4.11Å; I364-R373 PolarHBondContact N-O 2.76Å; I364-R373 CarbonylContact O-C 3.55Å; I364-R373 VanDerWaalsContact O-C 3.23Å; I364-R373 VanDerWaalsContact O-CA 3.23Å; I364-R373 WeakPolarHBondContact O-CA 3.21Å; I364-R373 VanDerWaalsContact O-CB 3.28Å; I364-R373 WeakPolarHBondContact O-CB 3.49Å; I364-R373 PolarHBondContact O-N 3.25Å; I364-S374 PolarHBondContact O-N 2.89Å |
| 365 | H | 84.9 | Confident | 84.3 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | trans | -84.4 | 129.9 | 172.3 | -175.9 | 67.3 | 0 | 0 | 0 | 110.5 | S374 Q481 | H365-S374 WeakPolarHBondContact CA-OG 3.36Å; H365-Q481 HydrophobicContact CB-CG 3.89Å | ||
| 366 | R | 81.9 | Confident | 84.6 | Confident | 133 Ų | 133 | 65 Ų | 65 | 50% | 0.502 | 31% | 0.31 | S | S | . | . | trans | -136.7 | 147.1 | 170.3 | -64.7 | -168.8 | -175 | -115.3 | 5.7 | 109.8 | I364 D368 R371 N372 | I364-R366 HydrophobicContact CG2-CG 4.13Å; R366-D368 VanDerWaalsContact C-N 3.28Å; R366-D368 PolarHBondContact O-N 3.04Å; R366-R371 HydrophobicContact CB-CB 4.33Å; R366-R371 WeakPolarHBondContact CD-O 3.47Å; R366-N372 PolarHBondContact N-OD1 3.45Å; R366-N372 WeakPolarHBondContact O-CB 3.33Å | ||
| 367 | Q | 77.9 | Confident | 84.6 | Confident | 191 Ų | 191 | 61.6 Ų | 61.6 | 89% | 0.893 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -64.9 | -32.4 | 179.2 | -67.9 | -179.1 | -7.7 | 0 | 0 | 112.7 | P369 | Q367-P369 WeakPolarHBondContact O-CD 3.23Š|
| 368 | D | 77.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -75.5 | 116.5 | 174.2 | 177.4 | -3.3 | 0 | 0 | 0 | 110 | R366 L370 R371 N372 | R366-D368 VanDerWaalsContact C-N 3.28Å; R366-D368 PolarHBondContact O-N 3.04Å; D368-L370 PolarHBondContact O-N 3.44Å; D368-L370 PolarHBondContact OD1-N 3.39Å; D368-R371 HydrophobicContact CB-CB 4.18Å; D368-R371 HydrophobicContact CB-CG 4.3Å; D368-R371 CarbonylContact O-C 3.55Å; D368-R371 PolarHBondContact O-N 2.95Å; D368-R371 VanDerWaalsContact OD2-CD 3.32Å; D368-R371 WeakPolarHBondContact OD2-CD 3.35Å; D368-R371 WeakPolarHBondContact OD2-CG 3.25Å; D368-R371 IonicContact OD2-NE 3.64Å; D368-N372 PolarHBondContact O-N 3.19Å |
| 369 | P | 70.8 | Confident | 84.4 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.6 | -178.9 | -25 | 35.1 | 0 | 0 | 0 | 114.2 | Q367 R371 N372 | Q367-P369 WeakPolarHBondContact O-CD 3.23Å; P369-R371 PolarHBondContact O-N 3.32Å; P369-N372 PolarHBondContact O-N 3.32Å |
| 370 | L | 68.4 | Low | 84.2 | Confident | 128 Ų | 128 | 65 Ų | 65 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -16.9 | 178.4 | -70.3 | 175.6 | 0 | 0 | 0 | 112.6 | D368 R373 | D368-L370 PolarHBondContact O-N 3.44Å; D368-L370 PolarHBondContact OD1-N 3.39Å; L370-R373 PolarHBondContact O-NH1 3.25Å |
| 371 | R | 75.7 | Confident | 83.9 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -6.5 | 176.4 | -58.5 | 178.8 | 171.6 | -177.4 | -2.6 | 112.4 | R366 D368 P369 R373 | R366-R371 HydrophobicContact CB-CB 4.33Å; R366-R371 WeakPolarHBondContact CD-O 3.47Å; D368-R371 HydrophobicContact CB-CB 4.18Å; D368-R371 HydrophobicContact CB-CG 4.3Å; D368-R371 CarbonylContact O-C 3.55Å; D368-R371 PolarHBondContact O-N 2.95Å; D368-R371 VanDerWaalsContact OD2-CD 3.32Å; D368-R371 WeakPolarHBondContact OD2-CD 3.35Å; D368-R371 WeakPolarHBondContact OD2-CG 3.25Å; D368-R371 IonicContact OD2-NE 3.64Å; P369-R371 PolarHBondContact O-N 3.32Å; R371-R373 WeakPolarHBondContact O-CG 3.26Å |
| 372 | N | 79.3 | Confident | 83.6 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | trans | -69.5 | 131 | 175.8 | -177.1 | 31.1 | 0 | 0 | 0 | 109 | I364 R366 D368 P369 S374 Q386 | I364-N372 PolarHBondContact O-OD1 3.06Å; R366-N372 PolarHBondContact N-OD1 3.45Å; R366-N372 WeakPolarHBondContact O-CB 3.33Å; D368-N372 PolarHBondContact O-N 3.19Å; P369-N372 PolarHBondContact O-N 3.32Å; N372-S374 PolarHBondContact OD1-N 2.99Å; N372-S374 PolarHBondContact OD1-OG 3.18Å; N372-Q386 PolarHBondContact ND2-OE1 3.35Å | ||
| 373 | R | 85.9 | Confident | 83.3 | Confident | 53 Ų | 53 | 73 Ų | 73 | 20% | 0.2 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 31.2 | -171.8 | -67 | -36.1 | -160.4 | -125.2 | -4.8 | 111 | W363 I364 L370 R371 P388 | W363-R373 VanDerWaalsContact CA-O 3.29Å; W363-R373 WeakPolarHBondContact CA-O 3.49Å; I364-R373 HydrophobicContact CB-CB 4.11Å; I364-R373 PolarHBondContact N-O 2.76Å; I364-R373 CarbonylContact O-C 3.55Å; I364-R373 VanDerWaalsContact O-C 3.23Å; I364-R373 VanDerWaalsContact O-CA 3.23Å; I364-R373 WeakPolarHBondContact O-CA 3.21Å; I364-R373 VanDerWaalsContact O-CB 3.28Å; I364-R373 WeakPolarHBondContact O-CB 3.49Å; I364-R373 PolarHBondContact O-N 3.25Å; L370-R373 PolarHBondContact O-NH1 3.25Å; R371-R373 WeakPolarHBondContact O-CG 3.26Å; R373-P388 VanDerWaalsContact C-CD 3.48Å; R373-P388 HydrophobicContact CB-CB 3.5Å; R373-P388 HydrophobicContact CB-CG 3.61Å; R373-P388 VanDerWaalsContact CD-CA 3.44Å; R373-P388 HydrophobicContact CG-CB 3.49Å; R373-P388 VanDerWaalsContact CG-CB 3.49Å; R373-P388 HydrophobicContact CG-CG 4.2Å; R373-P388 WeakPolarHBondContact O-CD 3.39Å; R373-P388 WeakPolarHBondContact O-CG 3.32Å |
| 374 | S | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -140.2 | 65.6 | -178.5 | 56 | 0 | 0 | 0 | 0 | 109.8 | I364 H365 N372 P478 G479 Q480 | I364-S374 PolarHBondContact O-N 2.89Å; H365-S374 WeakPolarHBondContact CA-OG 3.36Å; N372-S374 PolarHBondContact OD1-N 2.99Å; N372-S374 PolarHBondContact OD1-OG 3.18Å; S374-P478 WeakPolarHBondContact O-CA 3.35Å; S374-G479 PolarHBondContact O-N 2.91Å; S374-G479 WeakPolarHBondContact OG-CA 3.47Å; S374-Q480 VanDerWaalsContact CB-O 3.31Å; S374-Q480 WeakPolarHBondContact CB-O 3.41Å | ||
| 375 | G | 86.6 | Confident | 83 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -81.8 | -14.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.8 | T383 F384 N387 | G375-T383 WeakPolarHBondContact CA-O 3.39Å; G375-T383 CarbonylContact O-C 3.55Å; G375-T383 VanDerWaalsContact O-C 3.3Å; G375-T383 VanDerWaalsContact O-CB 3.23Å; G375-T383 WeakPolarHBondContact O-CB 3.32Å; G375-T383 PolarHBondContact O-OG1 3.4Å; G375-F384 PolarHBondContact O-N 3.2Å; G375-N387 WeakPolarHBondContact CA-ND2 3.35Å; G375-N387 WeakPolarHBondContact CA-OD1 3.43Å; G375-N387 PolarHBondContact N-OD1 2.75Å | ||
| 376 | G | 89.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | 73.4 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F384 N387 T475 | G376-F384 WeakPolarHBondContact O-CD2 3.15Å; G376-N387 PolarHBondContact O-ND2 2.9Å; G376-T475 CarbonylContact C-O 3.49Å; G376-T475 VanDerWaalsContact CA-O 3.25Å; G376-T475 WeakPolarHBondContact CA-O 2.98Å | ||
| 377 | C | 89.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.6 | 176.8 | -178.3 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | N379 H380 Y452 T475 F476 | C377-N379 PolarHBondContact O-N 2.57Å; C377-H380 WeakPolarHBondContact O-CB 3.45Å; C377-H380 PolarHBondContact O-N 2.84Å; C377-Y452 HydrophobicContact CB-CD1 4.34Å; C377-Y452 HydrophobicContact CB-CE1 3.51Å; C377-Y452 HydrophobicContact CB-CE2 4.2Å; C377-Y452 VanDerWaalsContact CB-CZ 3.44Å; C377-Y452 WeakPolarHBondContact CB-OH 3.43Å; C377-T475 PolarHBondContact N-O 2.72Å; C377-F476 PolarHBondContact N-O 3.19Å; C377-F476 PolarHBondContact SG-O 3.01Å |
| 378 | I | 86.7 | Confident | 82 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.2 | -176.4 | -162.4 | 166.5 | 0 | 0 | 0 | 114.5 | H380 F384 K446 | I378-H380 PolarHBondContact O-N 3.15Å; I378-F384 HydrophobicContact CB-CD2 4.26Å; I378-F384 HydrophobicContact CB-CE2 4.15Å; I378-F384 HydrophobicContact CB-CZ 4.36Å; I378-F384 HydrophobicContact CG1-CE1 4.44Å; I378-K446 HydrophobicContact CD1-CD 4.13Å |
| 379 | N | 88.5 | Confident | 81.5 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 64% | 0.642 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | 173.2 | -64.5 | -22.3 | 0 | 0 | 0 | 111.5 | C377 K381 | C377-N379 PolarHBondContact O-N 2.57Å; N379-K381 PolarHBondContact O-N 3.16Å |
| 380 | H | 87.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 48 Ų | 48 | 26% | 0.255 | 23% | 0.234 | S | C | . | . | trans | -94.8 | 64.7 | 178.6 | -56.7 | 99.6 | 0 | 0 | 0 | 111.2 | C377 I378 T382 T383 F384 F476 | C377-H380 WeakPolarHBondContact O-CB 3.45Å; C377-H380 PolarHBondContact O-N 2.84Å; I378-H380 PolarHBondContact O-N 3.15Å; H380-T382 PolarHBondContact O-N 3.13Å; H380-T383 WeakPolarHBondContact CB-OG1 3.39Å; H380-T383 PolarHBondContact O-N 3.11Å; H380-T383 PolarHBondContact O-OG1 2.9Å; H380-F384 WeakPolarHBondContact O-CB 3.3Å; H380-F384 PolarHBondContact O-N 3.37Å; H380-F476 PolarHBondContact CE1-O 2.9Å; H380-F476 PolarHBondContact ND1-O 3.01Å | ||
| 381 | K | 84.2 | Confident | 83.1 | Confident | 183 Ų | 183 | 42 Ų | 42 | 80% | 0.796 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -33.5 | -172.5 | -65.2 | -177.1 | -179.4 | 178.5 | 0 | 114.9 | N379 | N379-K381 PolarHBondContact O-N 3.16Š|
| 382 | T | 83.3 | Confident | 84 | Confident | 123 Ų | 123 | 34.7 Ų | 34.7 | 76% | 0.755 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.2 | -178.8 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | H380 Q386 | H380-T382 PolarHBondContact O-N 3.13Å; T382-Q386 PolarHBondContact O-NE2 2.88Å |
| 383 | T | 85.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 17% | 0.172 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -17.6 | -173 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | G375 H380 L385 Q386 | G375-T383 WeakPolarHBondContact CA-O 3.39Å; G375-T383 CarbonylContact O-C 3.55Å; G375-T383 VanDerWaalsContact O-C 3.3Å; G375-T383 VanDerWaalsContact O-CB 3.23Å; G375-T383 WeakPolarHBondContact O-CB 3.32Å; G375-T383 PolarHBondContact O-OG1 3.4Å; H380-T383 WeakPolarHBondContact CB-OG1 3.39Å; H380-T383 PolarHBondContact O-N 3.11Å; H380-T383 PolarHBondContact O-OG1 2.9Å; T383-L385 VanDerWaalsContact C-N 3.28Å; T383-L385 PolarHBondContact O-N 3Å; T383-L385 VanDerWaalsContact O-N 3.16Å; T383-Q386 WeakPolarHBondContact O-CA 3.28Å; T383-Q386 WeakPolarHBondContact O-CB 3.14Å; T383-Q386 WeakPolarHBondContact O-CG 3.21Å; T383-Q386 PolarHBondContact O-N 3.13Å |
| 384 | F | 86.3 | Confident | 85 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -51.6 | -41.7 | -177 | 176.5 | -109.7 | 0 | 0 | 0 | 113.8 | G375 G376 I378 H380 Q386 N387 D428 H430 I472 T474 | G375-F384 PolarHBondContact O-N 3.2Å; G376-F384 WeakPolarHBondContact O-CD2 3.15Å; I378-F384 HydrophobicContact CB-CD2 4.26Å; I378-F384 HydrophobicContact CB-CE2 4.15Å; I378-F384 HydrophobicContact CB-CZ 4.36Å; I378-F384 HydrophobicContact CG1-CE1 4.44Å; H380-F384 WeakPolarHBondContact O-CB 3.3Å; H380-F384 PolarHBondContact O-N 3.37Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; F384-Q386 PolarHBondContact O-N 3.44Å; F384-N387 WeakPolarHBondContact O-CB 3.49Å; F384-N387 PolarHBondContact O-N 3.37Å; F384-N387 PolarHBondContact O-ND2 2.58Å; F384-D428 HydrophobicContact CZ-CB 4.2Å; F384-H430 AromaticContact CE1-CE1 3.91Å; F384-H430 AromaticContact CZ-CE1 3.9Å; F384-I472 HydrophobicContact CE1-CD1 3.87Å; F384-I472 HydrophobicContact CE2-CG2 4.35Å; F384-I472 HydrophobicContact CZ-CB 4.22Å; F384-I472 HydrophobicContact CZ-CD1 3.98Å; F384-I472 HydrophobicContact CZ-CG2 4.19Å; F384-T474 HydrophobicContact CD2-CG2 4.17Å; F384-T474 HydrophobicContact CE2-CG2 3.78Å |
| 385 | L | 84.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -80.4 | -8.9 | -179.6 | -62.2 | 175.4 | 0 | 0 | 0 | 113.5 | T383 N387 M440 H441 I472 | T383-L385 VanDerWaalsContact C-N 3.28Å; T383-L385 PolarHBondContact O-N 3Å; T383-L385 VanDerWaalsContact O-N 3.16Å; L385-N387 PolarHBondContact O-N 2.89Å; L385-M440 HydrophobicContact CD2-CB 4.44Å; L385-H441 WeakPolarHBondContact CD1-O 3.46Å; L385-I472 HydrophobicContact CD2-CD1 4.25Å |
| 386 | Q | 81.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -73 | -11.4 | 169.1 | -53.4 | 175.3 | 10.9 | 0 | 0 | 111.4 | N372 T382 T383 F384 | N372-Q386 PolarHBondContact ND2-OE1 3.35Å; T382-Q386 PolarHBondContact O-NE2 2.88Å; T383-Q386 WeakPolarHBondContact O-CA 3.28Å; T383-Q386 WeakPolarHBondContact O-CB 3.14Å; T383-Q386 WeakPolarHBondContact O-CG 3.21Å; T383-Q386 PolarHBondContact O-N 3.13Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; F384-Q386 PolarHBondContact O-N 3.44Å |
| 387 | N | 80.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -57.7 | 131.4 | 175.9 | -75.9 | -64 | 0 | 0 | 0 | 110.8 | G375 G376 F384 L385 Q389 R439 I472 T474 | G375-N387 WeakPolarHBondContact CA-ND2 3.35Å; G375-N387 WeakPolarHBondContact CA-OD1 3.43Å; G375-N387 PolarHBondContact N-OD1 2.75Å; G376-N387 PolarHBondContact O-ND2 2.9Å; F384-N387 WeakPolarHBondContact O-CB 3.49Å; F384-N387 PolarHBondContact O-N 3.37Å; F384-N387 PolarHBondContact O-ND2 2.58Å; L385-N387 PolarHBondContact O-N 2.89Å; N387-Q389 VanDerWaalsContact C-N 3.28Å; N387-Q389 PolarHBondContact O-N 2.78Å; N387-R439 PolarHBondContact O-NH2 2.83Å; N387-I472 HydrophobicContact CB-CG2 3.9Å; N387-T474 HydrophobicContact CB-CG2 4.1Å; N387-T474 WeakPolarHBondContact ND2-CG2 3.39Å | ||
| 388 | P | 61.5 | Low | 85 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -67.5 | -25.6 | -160.8 | 20.3 | -31.3 | 0 | 0 | 0 | 114.8 | S362 R373 R439 | S362-P388 WeakPolarHBondContact O-CG 3.45Å; R373-P388 VanDerWaalsContact C-CD 3.48Å; R373-P388 HydrophobicContact CB-CB 3.5Å; R373-P388 HydrophobicContact CB-CG 3.61Å; R373-P388 VanDerWaalsContact CD-CA 3.44Å; R373-P388 HydrophobicContact CG-CB 3.49Å; R373-P388 VanDerWaalsContact CG-CB 3.49Å; R373-P388 HydrophobicContact CG-CG 4.2Å; R373-P388 WeakPolarHBondContact O-CD 3.39Å; R373-P388 WeakPolarHBondContact O-CG 3.32Å; P388-R439 PolarHBondContact O-NH1 2.7Å |
| 389 | Q | 67.4 | Low | 85.1 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | trans | -129.4 | 72.2 | -149.8 | -85.3 | 164.7 | 70.3 | 0 | 0 | 108.5 | G361 S362 N387 Y391 P473 F484 E498 | G361-Q389 VanDerWaalsContact CA-CD 3.48Å; S362-Q389 PolarHBondContact O-NE2 3.4Å; N387-Q389 VanDerWaalsContact C-N 3.28Å; N387-Q389 PolarHBondContact O-N 2.78Å; Q389-Y391 HydrophobicContact CB-CD2 4.26Å; Q389-Y391 HydrophobicContact CB-CE2 3.53Å; Q389-Y391 HydrophobicContact CG-CE2 4.2Å; Q389-Y391 VanDerWaalsContact O-CD2 3.29Å; Q389-Y391 WeakPolarHBondContact O-CD2 2.82Å; Q389-Y391 PolarHBondContact O-N 3.34Å; Q389-Y391 PolarHBondContact OE1-OH 2.92Å; Q389-P473 HydrophobicContact CB-CG 4.25Å; Q389-P473 WeakPolarHBondContact O-CD 3.5Å; Q389-F484 HydrophobicContact CB-CZ 3.87Å; Q389-F484 HydrophobicContact CG-CZ 4.2Å; Q389-F484 VanDerWaalsContact NE2-CE1 3.33Å; Q389-E498 WeakPolarHBondContact CG-OE1 3.31Å | ||
| 390 | Q | 83.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -84 | 102.6 | 173.6 | -67.4 | -179.5 | 2.1 | 0 | 0 | 107.3 | M440 V470 I472 L499 | Q390-M440 PolarHBondContact NE2-O 3Å; Q390-V470 HydrophobicContact CB-CG1 3.74Å; Q390-V470 HydrophobicContact CG-CG1 4.24Å; Q390-I472 HydrophobicContact CG-CD1 4.38Å; Q390-I472 HydrophobicContact CG-CG1 4.23Å; Q390-L499 HydrophobicContact CB-CB 4.23Å; Q390-L499 HydrophobicContact CB-CD1 4.3Å; Q390-L499 WeakPolarHBondContact O-CB 3.44Å; Q390-L499 WeakPolarHBondContact O-CG 3.32Å; Q390-L499 PolarHBondContact O-N 2.92Å | ||
| 391 | Y | 90.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115 | 179.9 | -62.4 | -77.1 | 0 | 0 | 0 | 109.6 | M359 Q389 V470 I471 P473 F484 L486 K497 E498 | M359-Y391 HydrophobicContact CB-CD1 4.02Å; M359-Y391 HydrophobicContact CB-CE1 3.47Å; M359-Y391 VanDerWaalsContact CB-CE1 3.47Å; M359-Y391 HydrophobicContact CB-CE2 4.35Å; M359-Y391 HydrophobicContact CE-CD1 4.13Å; M359-Y391 HydrophobicContact CE-CE1 4.47Å; M359-Y391 HydrophobicContact CG-CD1 3.6Å; M359-Y391 HydrophobicContact CG-CE1 3.51Å; M359-Y391 HydrophobicContact CG-CG 4.38Å; M359-Y391 HydrophobicContact SD-CD1 3.95Å; M359-Y391 HydrophobicContact SD-CE1 3.71Å; Q389-Y391 HydrophobicContact CB-CD2 4.26Å; Q389-Y391 HydrophobicContact CB-CE2 3.53Å; Q389-Y391 HydrophobicContact CG-CE2 4.2Å; Q389-Y391 VanDerWaalsContact O-CD2 3.29Å; Q389-Y391 WeakPolarHBondContact O-CD2 2.82Å; Q389-Y391 PolarHBondContact O-N 3.34Å; Q389-Y391 PolarHBondContact OE1-OH 2.92Å; Y391-V470 CarbonylContact O-C 3.54Å; Y391-V470 VanDerWaalsContact O-CA 3.28Å; Y391-V470 WeakPolarHBondContact O-CA 3.09Å; Y391-I471 PolarHBondContact N-O 2.97Å; Y391-I471 PolarHBondContact O-N 3.29Å; Y391-P473 HydrophobicContact CD2-CG 4.33Å; Y391-P473 HydrophobicContact CE2-CG 4.08Å; Y391-F484 HydrophobicContact CE2-CE2 4.03Å; Y391-F484 HydrophobicContact CE2-CZ 4.29Å; Y391-L486 HydrophobicContact CD2-CD2 3.3Å; Y391-L486 HydrophobicContact CE2-CB 4.48Å; Y391-L486 HydrophobicContact CE2-CD2 3.75Å; Y391-L486 HydrophobicContact CG-CD2 3.85Å; Y391-K497 CarbonylContact C-O 3.5Å; Y391-K497 WeakPolarHBondContact CA-O 3.43Å; Y391-E498 HydrophobicContact CD1-CB 3.96Å; Y391-E498 HydrophobicContact CD1-CG 4.4Å; Y391-E498 HydrophobicContact CE1-CB 3.82Å; Y391-E498 HydrophobicContact CE1-CG 4.09Å |
| 392 | V | 93.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.4 | 174.6 | 68 | 0 | 0 | 0 | 0 | 109.6 | R468 Y469 V470 C496 K497 L499 | V392-R468 VanDerWaalsContact CG2-CD 3.49Å; V392-R468 HydrophobicContact CG2-CG 3.43Å; V392-R468 VanDerWaalsContact CG2-CG 3.43Å; V392-Y469 CarbonylContact C-O 3.16Å; V392-Y469 VanDerWaalsContact CA-O 3.27Å; V392-Y469 WeakPolarHBondContact CA-O 3.39Å; V392-V470 HydrophobicContact CB-CG2 4.19Å; V392-V470 HydrophobicContact CG2-CG2 4.25Å; V392-C496 CarbonylContact O-C 3.56Å; V392-C496 VanDerWaalsContact O-CA 3.24Å; V392-C496 WeakPolarHBondContact O-CA 3.4Å; V392-K497 HydrophobicContact CG1-CD 4.29Å; V392-K497 HydrophobicContact CG1-CG 3.43Å; V392-K497 VanDerWaalsContact CG1-CG 3.43Å; V392-K497 WeakPolarHBondContact CG1-O 3.38Å; V392-K497 PolarHBondContact N-O 2.68Å; V392-K497 PolarHBondContact O-N 2.86Å; V392-L499 HydrophobicContact CB-CD1 4.17Å; V392-L499 HydrophobicContact CB-CD2 4.11Å; V392-L499 HydrophobicContact CB-CG 4.1Å; V392-L499 HydrophobicContact CG1-CD2 3.69Å; V392-L499 HydrophobicContact CG1-CG 4.1Å |
| 393 | F | 94.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.4 | 173.6 | 74.9 | -79.7 | 0 | 0 | 0 | 110.7 | V395 V402 I429 L464 Y469 I471 C496 | F393-V395 HydrophobicContact CD2-CG2 4.37Å; F393-V395 HydrophobicContact CE2-CG2 3.85Å; F393-V402 HydrophobicContact CE2-CG1 4.09Å; F393-V402 HydrophobicContact CE2-CG2 4.37Å; F393-V402 HydrophobicContact CZ-CG1 4.43Å; F393-I429 HydrophobicContact CE1-CG2 4.38Å; F393-I429 HydrophobicContact CZ-CG2 4.44Å; F393-L464 HydrophobicContact CE2-CD1 4.14Å; F393-L464 HydrophobicContact CZ-CD1 3.8Å; F393-Y469 HydrophobicContact CE1-CG 4.36Å; F393-Y469 HydrophobicContact CE2-CD2 4.25Å; F393-Y469 HydrophobicContact CZ-CD2 4.21Å; F393-Y469 HydrophobicContact CZ-CG 4.06Å; F393-Y469 PolarHBondContact N-O 3.32Å; F393-Y469 PolarHBondContact O-N 2.87Å; F393-I471 HydrophobicContact CD1-CD1 3.78Å; F393-I471 HydrophobicContact CD1-CG1 3.74Å; F393-I471 HydrophobicContact CE1-CD1 3.61Å; F393-I471 HydrophobicContact CE1-CG1 3.39Å; F393-I471 HydrophobicContact CZ-CD1 4.43Å; F393-I471 HydrophobicContact CZ-CG1 4.44Å; F393-C496 HydrophobicContact CB-CB 4.14Å |
| 394 | D | 92.4 | Very high | 86.5 | Confident | 26 Ų | 26 | 27 Ų | 27 | 14% | 0.139 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.1 | -176.4 | -70.1 | -28.4 | 0 | 0 | 0 | 111.5 | R468 S494 | D394-R468 VanDerWaalsContact OD1-CB 3.31Å; D394-R468 WeakPolarHBondContact OD1-CB 3.4Å; D394-R468 VanDerWaalsContact OD1-CG 3.23Å; D394-R468 WeakPolarHBondContact OD1-CG 3.32Å; D394-R468 IonicContact OD1-CZ 3.65Å; D394-R468 IonicContact OD1-NE 2.73Å; D394-R468 PolarHBondContact OD1-NE 3.01Å; D394-R468 IonicContact OD1-NH2 3.16Å; D394-R468 PolarHBondContact OD1-NH2 3.39Å; D394-R468 IonicContact OD2-CZ 3.6Å; D394-R468 IonicContact OD2-NE 3.7Å; D394-R468 IonicContact OD2-NH2 3.38Å; D394-R468 PolarHBondContact OD2-NH2 3.09Å; D394-S494 PolarHBondContact N-O 2.82Å; D394-S494 WeakPolarHBondContact O-CA 3.43Å; D394-S494 WeakPolarHBondContact O-CB 3.42Å |
| 395 | V | 91.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.4 | 167.5 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | F393 D400 V402 L464 E466 G467 Y469 | F393-V395 HydrophobicContact CD2-CG2 4.37Å; F393-V395 HydrophobicContact CE2-CG2 3.85Å; V395-D400 HydrophobicContact CG1-CB 3.61Å; V395-V402 HydrophobicContact CG2-CG2 4.14Å; V395-L464 HydrophobicContact CG2-CB 4.12Å; V395-L464 HydrophobicContact CG2-CD1 4.44Å; V395-E466 WeakPolarHBondContact O-CA 3.44Å; V395-E466 VanDerWaalsContact O-CG 3.32Å; V395-E466 WeakPolarHBondContact O-CG 3.38Å; V395-G467 PolarHBondContact N-O 2.82Å; V395-G467 PolarHBondContact O-N 3.22Å; V395-Y469 HydrophobicContact CB-CD2 4.45Å; V395-Y469 HydrophobicContact CB-CE2 4Å; V395-Y469 HydrophobicContact CG2-CD2 3.82Å; V395-Y469 HydrophobicContact CG2-CE2 3.66Å |
| 396 | K | 88.6 | Confident | 87.2 | Confident | 95 Ų | 95 | 25.3 Ų | 25.3 | 41% | 0.413 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -15.5 | -173.3 | -64.1 | 173.2 | 178.3 | 162.8 | 0 | 114.1 | V492 P493 D495 | K396-V492 HydrophobicContact CB-CG2 4.04Å; K396-P493 WeakPolarHBondContact CD-O 3.5Å; K396-P493 VanDerWaalsContact CE-O 3.3Å; K396-P493 WeakPolarHBondContact CE-O 3.19Å; K396-P493 PolarHBondContact NZ-O 3.41Å; K396-D495 WeakPolarHBondContact CE-OD2 3.28Å; K396-D495 IonicContact NZ-OD1 2.72Å; K396-D495 IonicContact NZ-OD2 3.3Å; K396-D495 PolarHBondContact NZ-OD2 2.91Å |
| 397 | K | 88 | Confident | 87.7 | Confident | 78 Ų | 78 | 23.4 Ų | 23.4 | 34% | 0.339 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 156 | 173.2 | -60.4 | -174.9 | -176.9 | -179.9 | 0 | 109.7 | E399 D400 E466 D491 V492 | K397-E399 WeakPolarHBondContact CB-O 3.41Å; K397-E399 PolarHBondContact O-N 3.11Å; K397-D400 HydrophobicContact CB-CB 4.17Å; K397-D400 HydrophobicContact CD-CB 4.41Å; K397-D400 IonicContact NZ-OD1 3.82Å; K397-E466 VanDerWaalsContact O-CA 3.32Å; K397-E466 WeakPolarHBondContact O-CA 3.41Å; K397-E466 VanDerWaalsContact O-CB 3.22Å; K397-E466 WeakPolarHBondContact O-CB 3.5Å; K397-E466 PolarHBondContact O-N 3.47Å; K397-D491 HydrophobicContact CD-CB 4.39Å; K397-D491 VanDerWaalsContact NZ-CG 3.34Å; K397-D491 IonicContact NZ-OD2 2.76Å; K397-D491 PolarHBondContact NZ-OD2 2.87Å; K397-V492 HydrophobicContact CG-CG2 4.41Å |
| 398 | V | 86.1 | Confident | 88.2 | Confident | 105 Ų | 105 | 23.9 Ų | 23.9 | 64% | 0.636 | 12% | 0.118 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -50.6 | -46.8 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | K465 E466 | V398-K465 CarbonylContact O-C 3.57Å; V398-K465 WeakPolarHBondContact O-CA 3.32Å; V398-E466 PolarHBondContact O-N 2.97Å |
| 399 | E | 87.8 | Confident | 89.4 | Confident | 117 Ų | 117 | 28.5 Ų | 28.5 | 55% | 0.547 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 133.9 | 168 | -67.9 | -178.2 | 161.1 | 0 | 0 | 107.6 | K397 L464 K465 | K397-E399 WeakPolarHBondContact CB-O 3.41Å; K397-E399 PolarHBondContact O-N 3.11Å; E399-L464 WeakPolarHBondContact CA-O 3.32Å; E399-K465 HydrophobicContact CG-CG 4.21Å |
| 400 | D | 88.9 | Confident | 89.8 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.7 | 175.9 | -154.9 | 11.8 | 0 | 0 | 0 | 110.8 | V395 K397 E463 L464 D491 | V395-D400 HydrophobicContact CG1-CB 3.61Å; K397-D400 HydrophobicContact CB-CB 4.17Å; K397-D400 HydrophobicContact CD-CB 4.41Å; K397-D400 IonicContact NZ-OD1 3.82Å; D400-E463 WeakPolarHBondContact O-CA 3.32Å; D400-L464 PolarHBondContact N-O 2.86Å; D400-L464 PolarHBondContact O-N 2.96Å; D400-D491 VanDerWaalsContact OD1-CB 3.29Å; D400-D491 WeakPolarHBondContact OD1-CB 3.19Å; D400-D491 PolarHBondContact OD2-N 3.13Å |
| 401 | E | 90.7 | Very high | 89 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122 | 173.3 | 178.2 | 165.8 | -100 | 0 | 0 | 109 | W354 L403 R461 | W354-E401 HydrophobicContact CH2-CB 4.25Å; W354-E401 HydrophobicContact CH2-CG 3.98Å; W354-E401 VanDerWaalsContact CZ3-O 3.31Å; W354-E401 WeakPolarHBondContact CZ3-O 3.34Å; E401-L403 HydrophobicContact CG-CD2 4.1Å; E401-R461 HydrophobicContact CG-CG 4.46Å; E401-R461 IonicContact OE1-CZ 3.21Å; E401-R461 IonicContact OE1-NE 3.67Å; E401-R461 PolarHBondContact OE1-NE 3Å; E401-R461 IonicContact OE1-NH2 2.76Å; E401-R461 PolarHBondContact OE1-NH2 3.13Å; E401-R461 IonicContact OE2-CZ 3.33Å; E401-R461 IonicContact OE2-NE 2.76Å; E401-R461 IonicContact OE2-NH2 3.24Å; E401-R461 PolarHBondContact OE2-NH2 2.8Å |
| 402 | V | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.6 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | F393 V395 I404 K462 L464 V488 T490 | F393-V402 HydrophobicContact CE2-CG1 4.09Å; F393-V402 HydrophobicContact CE2-CG2 4.37Å; F393-V402 HydrophobicContact CZ-CG1 4.43Å; V395-V402 HydrophobicContact CG2-CG2 4.14Å; V402-I404 HydrophobicContact CG1-CD1 4.13Å; V402-I404 HydrophobicContact CG1-CG1 4Å; V402-K462 PolarHBondContact N-O 3.47Å; V402-K462 PolarHBondContact O-N 2.86Å; V402-L464 HydrophobicContact CB-CD1 4.23Å; V402-L464 HydrophobicContact CG2-CB 4.32Å; V402-L464 HydrophobicContact CG2-CD1 3.94Å; V402-L464 HydrophobicContact CG2-CG 4.29Å; V402-V488 HydrophobicContact CG1-CG1 4.09Å; V402-T490 HydrophobicContact CG1-CG2 4.06Å; V402-T490 HydrophobicContact CG2-CG2 4.13Å |
| 403 | L | 92.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.9 | 174.1 | -41.3 | 177 | 0 | 0 | 0 | 109 | I343 W354 E401 F459 L460 R461 F489 | I343-L403 HydrophobicContact CD1-CD1 4.13Å; W354-L403 HydrophobicContact CH2-CD1 3.88Å; W354-L403 HydrophobicContact CH2-CD2 4.39Å; W354-L403 HydrophobicContact CH2-CG 3.91Å; W354-L403 HydrophobicContact CZ2-CD1 4.03Å; W354-L403 HydrophobicContact CZ3-CD1 4.13Å; W354-L403 HydrophobicContact CZ3-CG 3.97Å; E401-L403 HydrophobicContact CG-CD2 4.1Å; L403-F459 HydrophobicContact CB-CE2 3.92Å; L403-F459 HydrophobicContact CB-CZ 4.13Å; L403-F459 HydrophobicContact CD2-CZ 4.06Å; L403-F459 HydrophobicContact CG-CZ 4.5Å; L403-L460 WeakPolarHBondContact CA-O 3.42Å; L403-R461 HydrophobicContact CD2-CB 3.8Å; L403-R461 HydrophobicContact CD2-CG 3.53Å; L403-F489 HydrophobicContact CB-CB 4.08Å; L403-F489 HydrophobicContact CB-CD2 4.14Å; L403-F489 HydrophobicContact CG-CB 4.47Å; L403-F489 PolarHBondContact N-O 2.69Å; L403-F489 PolarHBondContact O-N 3.47Å |
| 404 | I | 93.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.1 | -179 | -60.4 | 161.1 | 0 | 0 | 0 | 108.2 | V402 F427 I429 F459 L460 I471 L486 R487 V488 | V402-I404 HydrophobicContact CG1-CD1 4.13Å; V402-I404 HydrophobicContact CG1-CG1 4Å; I404-F427 HydrophobicContact CB-CE2 3.91Å; I404-F427 HydrophobicContact CB-CZ 3.65Å; I404-F427 HydrophobicContact CD1-CE2 3.99Å; I404-F427 HydrophobicContact CG2-CD2 4.28Å; I404-F427 HydrophobicContact CG2-CE1 3.9Å; I404-F427 HydrophobicContact CG2-CE2 3.6Å; I404-F427 HydrophobicContact CG2-CZ 3.37Å; I404-I429 HydrophobicContact CD1-CD1 3.37Å; I404-I429 HydrophobicContact CD1-CG1 4.25Å; I404-F459 CarbonylContact O-C 3.57Å; I404-F459 WeakPolarHBondContact O-CA 3.37Å; I404-L460 PolarHBondContact N-O 2.85Å; I404-L460 PolarHBondContact O-N 3.03Å; I404-I471 HydrophobicContact CD1-CD1 3.67Å; I404-I471 HydrophobicContact CD1-CG1 4.31Å; I404-I471 HydrophobicContact CG1-CD1 4.1Å; I404-I471 HydrophobicContact CG2-CD1 4.36Å; I404-L486 HydrophobicContact CG2-CD1 3.54Å; I404-R487 WeakPolarHBondContact CA-O 3.45Å; I404-V488 HydrophobicContact CG1-CG1 4.29Å; I404-V488 HydrophobicContact CG1-CG2 4.43Å |
| 405 | C | 93.5 | Very high | 81.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.6 | 164.9 | 165.7 | 0 | 0 | 0 | 0 | 109.3 | V193 C457 V458 F459 R487 | V193-C405 HydrophobicContact CG1-CB 4.04Å; C405-C457 WeakPolarHBondContact CB-SG 3.47Å; C405-C457 WeakPolarHBondContact SG-CB 3.27Å; C405-C457 CovalentContact SG-SG 2.1Å; C405-C457 PolarHBondContact SG-SG 2.72Å; C405-V458 CarbonylContact C-O 3.55Å; C405-V458 VanDerWaalsContact CA-O 3.28Å; C405-V458 WeakPolarHBondContact CA-O 3.22Å; C405-F459 HydrophobicContact CB-CD2 4.38Å; C405-R487 PolarHBondContact N-O 2.98Å; C405-R487 PolarHBondContact O-N 3.05Å |
| 406 | L | 93.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.7 | 167.8 | 175.3 | 65.1 | 0 | 0 | 0 | 107.9 | W363 I425 G426 F427 C457 V458 P473 F484 L486 | W363-L406 HydrophobicContact CZ2-CD2 4.41Å; L406-I425 HydrophobicContact CD2-CB 4.34Å; L406-I425 HydrophobicContact CD2-CD1 4.36Å; L406-I425 HydrophobicContact CG-CD1 4.25Å; L406-G426 WeakPolarHBondContact CD2-O 3.39Å; L406-F427 HydrophobicContact CB-CD1 3.79Å; L406-F427 HydrophobicContact CB-CE1 4.08Å; L406-F427 HydrophobicContact CD2-CB 4.45Å; L406-F427 HydrophobicContact CD2-CD1 4.1Å; L406-C457 CarbonylContact O-C 3.59Å; L406-C457 WeakPolarHBondContact O-CA 3.28Å; L406-V458 PolarHBondContact N-O 2.85Å; L406-V458 PolarHBondContact O-N 2.95Å; L406-P473 HydrophobicContact CD1-CB 3.69Å; L406-P473 HydrophobicContact CD2-CB 3.8Å; L406-P473 HydrophobicContact CG-CB 4.38Å; L406-F484 HydrophobicContact CD1-CB 3.99Å; L406-F484 HydrophobicContact CD1-CD2 3.38Å; L406-F484 HydrophobicContact CD1-CE2 3.91Å; L406-F484 HydrophobicContact CD1-CG 3.83Å; L406-L486 HydrophobicContact CB-CD1 4.34Å; L406-L486 HydrophobicContact CD1-CD1 4.41Å |
| 407 | Q | 92.3 | Very high | 77.8 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130 | 178.4 | -175.3 | 179.6 | 13.5 | 0 | 0 | 110.5 | W126 R456 C457 F484 L485 | W126-Q407 VanDerWaalsContact CH2-OE1 3.28Å; W126-Q407 VanDerWaalsContact CZ3-OE1 3.23Å; Q407-R456 CarbonylContact C-O 3.57Å; Q407-R456 VanDerWaalsContact CA-O 3.26Å; Q407-R456 WeakPolarHBondContact CA-O 3.38Å; Q407-R456 HydrophobicContact CG-CG 4.24Å; Q407-C457 HydrophobicContact CB-CB 4.26Å; Q407-C457 HydrophobicContact CG-CB 4.43Å; Q407-F484 CarbonylContact O-C 3.42Å; Q407-F484 WeakPolarHBondContact O-CA 3.5Å; Q407-F484 VanDerWaalsContact O-CB 3.24Å; Q407-F484 WeakPolarHBondContact O-CB 3.44Å; Q407-L485 HydrophobicContact CB-CB 4.38Å; Q407-L485 PolarHBondContact N-O 2.79Å; Q407-L485 PolarHBondContact O-N 2.93Å |
| 408 | Q | 90.3 | Very high | 76.2 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 149.2 | 169.5 | 62.7 | -175.6 | -55 | 0 | 0 | 111.2 | W363 E410 L423 I425 S455 R456 E483 | W363-Q408 HydrophobicContact CZ3-CB 4.28Å; Q408-E410 PolarHBondContact O-N 3.11Å; Q408-L423 PolarHBondContact NE2-O 3.43Å; Q408-I425 HydrophobicContact CB-CD1 4.11Å; Q408-I425 HydrophobicContact CG-CD1 4.07Å; Q408-S455 PolarHBondContact NE2-O 3.04Å; Q408-R456 PolarHBondContact N-O 3.28Å; Q408-E483 WeakPolarHBondContact CA-O 3.34Å |
| 409 | K | 87.2 | Confident | 74.7 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 124.2 | 173.6 | -171.1 | 178.4 | 177.5 | 177.2 | 0 | 109.2 | F128 K411 E483 | F128-K409 HydrophobicContact CD2-CB 3.96Å; F128-K409 HydrophobicContact CD2-CG 4.39Å; F128-K409 HydrophobicContact CE1-CB 4.35Å; F128-K409 HydrophobicContact CE1-CD 4.43Å; F128-K409 HydrophobicContact CE2-CB 3.65Å; F128-K409 HydrophobicContact CE2-CG 4.47Å; F128-K409 HydrophobicContact CG-CB 4.43Å; F128-K409 HydrophobicContact CG-CG 4.41Å; F128-K409 HydrophobicContact CZ-CB 3.85Å; K409-K411 PolarHBondContact O-N 2.97Å; K409-E483 HydrophobicContact CB-CB 3.97Å; K409-E483 HydrophobicContact CD-CB 4.11Å; K409-E483 WeakPolarHBondContact CD-OE2 3.1Å; K409-E483 WeakPolarHBondContact CE-OE2 3.48Å; K409-E483 PolarHBondContact N-O 2.57Å; K409-E483 IonicContact NZ-OE2 3.28Å; K409-E483 PolarHBondContact NZ-OE2 2.68Å |
| 410 | E | 74.6 | Confident | 73.3 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 136.8 | 176.2 | -71.3 | 179.7 | -162 | 0 | 0 | 111.3 | R127 Y171 Q408 R456 | R127-E410 IonicContact CZ-OE1 3.17Å; R127-E410 IonicContact CZ-OE2 3.98Å; R127-E410 VanDerWaalsContact CZ-OE2 3.3Å; R127-E410 VanDerWaalsContact NH1-CD 3.31Å; R127-E410 IonicContact NH1-OE1 3.32Å; R127-E410 PolarHBondContact NH1-OE1 3.49Å; R127-E410 IonicContact NH1-OE2 3.94Å; R127-E410 PolarHBondContact NH1-OE2 2.83Å; R127-E410 VanDerWaalsContact NH1-OE2 3.09Å; R127-E410 VanDerWaalsContact NH2-CD 3.27Å; R127-E410 IonicContact NH2-OE1 2.72Å; R127-E410 IonicContact NH2-OE2 3.11Å; R127-E410 PolarHBondContact NH2-OE2 2.77Å; Y171-E410 WeakPolarHBondContact CE1-OE2 3.38Å; Y171-E410 PolarHBondContact OH-OE1 3.3Å; Q408-E410 PolarHBondContact O-N 3.11Å; E410-R456 HydrophobicContact CG-CG 4.06Å; E410-R456 WeakPolarHBondContact OE1-CD 3.34Å; E410-R456 IonicContact OE1-CZ 3.13Å; E410-R456 IonicContact OE1-NE 2.69Å; E410-R456 IonicContact OE1-NH1 2.99Å; E410-R456 PolarHBondContact OE1-NH1 2.94Å |
| 411 | K | 67.8 | Low | 72.3 | Confident | 117 Ų | 117 | 61.2 Ų | 61.2 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -84 | 124.5 | 163.7 | -65.8 | 178.3 | -177.5 | 172.5 | 0 | 107.1 | K409 | K409-K411 PolarHBondContact O-N 2.97Š|
| 412 | R | 61.6 | Low | 71.9 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.1 | 176.7 | -74.7 | -177 | 176.5 | 179.4 | -4.8 | 109.7 | F8 E9 T414 | F8-R412 VanDerWaalsContact CE2-NH2 3.29Å; E9-R412 IonicContact OE1-CZ 3.78Å; E9-R412 VanDerWaalsContact OE1-CZ 3.31Å; E9-R412 IonicContact OE1-NH1 2.64Å; E9-R412 PolarHBondContact OE1-NH1 2.8Å; E9-R412 IonicContact OE1-NH2 3.58Å; E9-R412 PolarHBondContact OE1-NH2 2.76Å; R412-T414 PolarHBondContact O-N 3.22Å |
| 413 | A | 55.4 | Low | 71.6 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 124.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | A176 G418 | A176-A413 HydrophobicContact CB-CB 3.99Å; A413-G418 VanDerWaalsContact CA-O 3.23Å; A413-G418 WeakPolarHBondContact CA-O 3.38Å; A413-G418 WeakPolarHBondContact CB-O 3.4Å |
| 414 | T | 54.3 | Low | 71.5 | Confident | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 147.3 | 171 | 69.6 | 0 | 0 | 0 | 0 | 108.6 | R412 K416 E417 G418 | R412-T414 PolarHBondContact O-N 3.22Å; T414-K416 PolarHBondContact O-N 3.09Å; T414-E417 PolarHBondContact O-N 2.78Å; T414-E417 VanDerWaalsContact O-N 3.08Å; T414-E417 WeakPolarHBondContact OG1-CB 3.27Å; T414-E417 PolarHBondContact OG1-N 3.14Å; T414-G418 PolarHBondContact N-O 2.8Å; T414-G418 PolarHBondContact O-N 3.42Å |
| 415 | P | 45.7 | Very low | 71.5 | Confident | 117 Ų | 117 | 64 Ų | 64 | 76% | 0.76 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -19.1 | 177.2 | -26.4 | 34 | 0 | 0 | 0 | 114.1 | ||
| 416 | K | 47.5 | Very low | 71.5 | Confident | 203 Ų | 203 | 63.9 Ų | 63.9 | 88% | 0.883 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -26.4 | 180 | -68.7 | -174.2 | 177.7 | -178.3 | 0 | 114.4 | T414 | T414-K416 PolarHBondContact O-N 3.09Š|
| 417 | E | 51.2 | Low | 71.5 | Confident | 152 Ų | 152 | 63.9 Ų | 63.9 | 71% | 0.71 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -8.3 | -172.7 | -63 | 177.7 | 161.8 | 0 | 0 | 113.1 | T414 | T414-E417 PolarHBondContact O-N 2.78Å; T414-E417 VanDerWaalsContact O-N 3.08Å; T414-E417 WeakPolarHBondContact OG1-CB 3.27Å; T414-E417 PolarHBondContact OG1-N 3.14Å |
| 418 | G | 53.5 | Low | 71.6 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | 74.1 | -153.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A413 T414 G420 | A413-G418 VanDerWaalsContact CA-O 3.23Å; A413-G418 WeakPolarHBondContact CA-O 3.38Å; A413-G418 WeakPolarHBondContact CB-O 3.4Å; T414-G418 PolarHBondContact N-O 2.8Å; T414-G418 PolarHBondContact O-N 3.42Å; G418-G420 PolarHBondContact O-N 3.19Å; G418-G420 VanDerWaalsContact O-N 3.15Å |
| 419 | K | 54.3 | Low | 71.8 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -58.7 | 114 | 168 | -88.8 | -174.1 | 162.2 | -165.2 | 0 | 108.3 | A176 D178 G179 E421 | A176-K419 WeakPolarHBondContact O-CE 3.49Å; D178-K419 VanDerWaalsContact O-CE 3.27Å; D178-K419 WeakPolarHBondContact O-CE 3.21Å; D178-K419 PolarHBondContact O-NZ 2.93Å; G179-K419 VanDerWaalsContact C-NZ 3.34Å; G179-K419 PolarHBondContact O-NZ 2.92Å; K419-E421 PolarHBondContact O-N 2.94Å; K419-E421 VanDerWaalsContact O-N 3.14Å |
| 420 | G | 58.7 | Low | 72.1 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 121.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G418 N422 | G418-G420 PolarHBondContact O-N 3.19Å; G418-G420 VanDerWaalsContact O-N 3.15Å; G420-N422 PolarHBondContact O-N 2.83Å |
| 421 | E | 68.3 | Low | 73 | Confident | 175 Ų | 175 | 58.3 Ų | 58.3 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 127.4 | -178.7 | -69.3 | -175.5 | 165.6 | 0 | 0 | 110.8 | K419 | K419-E421 PolarHBondContact O-N 2.94Å; K419-E421 VanDerWaalsContact O-N 3.14Å |
| 422 | N | 81.9 | Confident | 74.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -70 | 136.5 | 170.7 | -73.9 | -35.5 | 0 | 0 | 0 | 109.6 | G420 | G420-N422 PolarHBondContact O-N 2.83Š|
| 423 | L | 86.4 | Confident | 75.7 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 147.8 | 172.8 | -58.1 | 176.7 | 0 | 0 | 0 | 109.8 | W363 Q408 I425 T475 Q480 | W363-L423 HydrophobicContact CE3-CD1 4.45Å; Q408-L423 PolarHBondContact NE2-O 3.43Å; L423-I425 HydrophobicContact CB-CG2 3.98Å; L423-I425 PolarHBondContact O-N 3.49Å; L423-I425 VanDerWaalsContact O-N 3.09Å; L423-T475 HydrophobicContact CB-CG2 4.43Å; L423-T475 HydrophobicContact CD1-CG2 3.99Å; L423-Q480 HydrophobicContact CD1-CB 4.28Å; L423-Q480 HydrophobicContact CD2-CB 4.35Å; L423-Q480 HydrophobicContact CD2-CG 4.41Å |
| 424 | A | 91 | Very high | 77.5 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | trans | -67.2 | 103.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | N454 T475 F476 | A424-N454 WeakPolarHBondContact CA-OD1 3.45Å; A424-N454 WeakPolarHBondContact CB-OD1 3.48Å; A424-N454 PolarHBondContact N-OD1 3.04Å; A424-T475 CarbonylContact O-C 3.56Å; A424-T475 WeakPolarHBondContact O-CA 3.47Å; A424-F476 HydrophobicContact CB-CB 3.47Å; A424-F476 VanDerWaalsContact CB-CB 3.47Å; A424-F476 HydrophobicContact CB-CG 4.37Å; A424-F476 PolarHBondContact O-N 2.81Å | ||
| 425 | I | 92.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 153.8 | -176.2 | 57.2 | 160.7 | 0 | 0 | 0 | 111.1 | W363 L406 Q408 L423 Y452 I453 V458 T475 | W363-I425 HydrophobicContact CH2-CB 4.23Å; W363-I425 HydrophobicContact CH2-CG2 3.44Å; W363-I425 VanDerWaalsContact CH2-CG2 3.44Å; W363-I425 HydrophobicContact CZ2-CG2 4.14Å; W363-I425 HydrophobicContact CZ3-CG2 3.93Å; L406-I425 HydrophobicContact CD2-CB 4.34Å; L406-I425 HydrophobicContact CD2-CD1 4.36Å; L406-I425 HydrophobicContact CG-CD1 4.25Å; Q408-I425 HydrophobicContact CB-CD1 4.11Å; Q408-I425 HydrophobicContact CG-CD1 4.07Å; L423-I425 HydrophobicContact CB-CG2 3.98Å; L423-I425 PolarHBondContact O-N 3.49Å; L423-I425 VanDerWaalsContact O-N 3.09Å; I425-Y452 WeakPolarHBondContact O-CA 3.32Å; I425-I453 PolarHBondContact N-O 3.21Å; I425-I453 VanDerWaalsContact N-O 3.16Å; I425-I453 PolarHBondContact O-N 3.29Å; I425-V458 HydrophobicContact CD1-CG2 3.96Å; I425-V458 HydrophobicContact CG1-CG2 3.73Å; I425-V458 WeakPolarHBondContact O-CG2 3.11Å; I425-T475 HydrophobicContact CG2-CG2 4.37Å |
| 426 | G | 93.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L406 S450 T474 | L406-G426 WeakPolarHBondContact CD2-O 3.39Å; G426-S450 WeakPolarHBondContact CA-OG 3.24Å; G426-T474 PolarHBondContact N-O 2.82Å; G426-T474 PolarHBondContact O-N 2.91Å |
| 427 | F | 94.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.8 | 177.1 | 59.5 | -91 | 0 | 0 | 0 | 112.4 | I404 L406 I429 G449 S450 V458 L460 I471 I472 P473 | I404-F427 HydrophobicContact CB-CE2 3.91Å; I404-F427 HydrophobicContact CB-CZ 3.65Å; I404-F427 HydrophobicContact CD1-CE2 3.99Å; I404-F427 HydrophobicContact CG2-CD2 4.28Å; I404-F427 HydrophobicContact CG2-CE1 3.9Å; I404-F427 HydrophobicContact CG2-CE2 3.6Å; I404-F427 HydrophobicContact CG2-CZ 3.37Å; L406-F427 HydrophobicContact CB-CD1 3.79Å; L406-F427 HydrophobicContact CB-CE1 4.08Å; L406-F427 HydrophobicContact CD2-CB 4.45Å; L406-F427 HydrophobicContact CD2-CD1 4.1Å; F427-I429 HydrophobicContact CD2-CG1 4.2Å; F427-I429 HydrophobicContact CE2-CD1 4.25Å; F427-I429 HydrophobicContact CE2-CG1 4.28Å; F427-G449 CarbonylContact O-C 3.51Å; F427-G449 WeakPolarHBondContact O-CA 3.37Å; F427-S450 PolarHBondContact N-OG 3.43Å; F427-S450 PolarHBondContact O-N 3.16Å; F427-V458 HydrophobicContact CE1-CG1 4.29Å; F427-L460 HydrophobicContact CE2-CB 3.93Å; F427-L460 HydrophobicContact CE2-CD2 3.8Å; F427-L460 HydrophobicContact CZ-CB 3.47Å; F427-L460 VanDerWaalsContact CZ-CB 3.47Å; F427-L460 HydrophobicContact CZ-CD2 4.22Å; F427-I471 HydrophobicContact CB-CG2 4.1Å; F427-I471 HydrophobicContact CD2-CG2 3.93Å; F427-I471 HydrophobicContact CG-CG2 4.22Å; F427-I472 VanDerWaalsContact CA-O 3.23Å; F427-I472 WeakPolarHBondContact CA-O 3.3Å; F427-I472 WeakPolarHBondContact CB-O 3.21Å; F427-P473 HydrophobicContact CB-CB 4.33Å |
| 428 | D | 93.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.5 | 175.6 | -77.1 | -7.3 | 0 | 0 | 0 | 111.2 | F384 K446 I472 | F384-D428 HydrophobicContact CZ-CB 4.2Å; D428-K446 VanDerWaalsContact CG-CE 3.46Å; D428-K446 VanDerWaalsContact OD1-CE 3.3Å; D428-K446 WeakPolarHBondContact OD1-CE 3.16Å; D428-K446 IonicContact OD1-NZ 3.03Å; D428-K446 PolarHBondContact OD1-NZ 2.95Å; D428-K446 WeakPolarHBondContact OD2-CE 3.5Å; D428-K446 IonicContact OD2-NZ 2.82Å; D428-K446 PolarHBondContact OD2-NZ 3.1Å; D428-I472 PolarHBondContact N-O 2.75Å; D428-I472 VanDerWaalsContact N-O 3.08Å; D428-I472 PolarHBondContact O-N 3.23Å |
| 429 | I | 94.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.7 | 178.3 | -50.8 | -179.8 | 0 | 0 | 0 | 108.6 | F393 I404 F427 V447 A448 L460 Y469 V470 | F393-I429 HydrophobicContact CE1-CG2 4.38Å; F393-I429 HydrophobicContact CZ-CG2 4.44Å; I404-I429 HydrophobicContact CD1-CD1 3.37Å; I404-I429 HydrophobicContact CD1-CG1 4.25Å; F427-I429 HydrophobicContact CD2-CG1 4.2Å; F427-I429 HydrophobicContact CE2-CD1 4.25Å; F427-I429 HydrophobicContact CE2-CG1 4.28Å; I429-V447 HydrophobicContact CB-CG2 4.04Å; I429-V447 HydrophobicContact CG2-CG2 3.69Å; I429-V447 WeakPolarHBondContact O-CG2 3.46Å; I429-V447 PolarHBondContact O-N 3.14Å; I429-A448 HydrophobicContact CB-CB 4.34Å; I429-A448 HydrophobicContact CD1-CB 4.19Å; I429-A448 PolarHBondContact N-O 2.7Å; I429-A448 PolarHBondContact O-N 3.45Å; I429-L460 HydrophobicContact CD1-CD2 3.83Å; I429-Y469 HydrophobicContact CG2-CD1 4.1Å; I429-Y469 HydrophobicContact CG2-CG 4.4Å; I429-V470 WeakPolarHBondContact CA-O 3.41Å |
| 430 | H | 93.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.7 | 179.8 | -65.4 | 79.5 | 0 | 0 | 0 | 110.6 | F384 V432 M440 Q444 Q445 Y469 V470 | F384-H430 AromaticContact CE1-CE1 3.91Å; F384-H430 AromaticContact CZ-CE1 3.9Å; H430-V432 HydrophobicContact CB-CG1 4.42Å; H430-M440 HydrophobicContact CB-CE 4.05Å; H430-M440 HydrophobicContact CB-SD 4.4Å; H430-Q444 HydrophobicContact CB-CB 4.38Å; H430-Q444 PolarHBondContact CD2-O 3Å; H430-Q445 CarbonylContact C-O 3.6Å; H430-Q445 VanDerWaalsContact CA-O 3.32Å; H430-Q445 WeakPolarHBondContact CA-O 3.46Å; H430-Y469 CarbonylContact O-C 3.6Å; H430-Y469 VanDerWaalsContact O-CA 3.22Å; H430-Y469 WeakPolarHBondContact O-CA 3.45Å; H430-V470 PolarHBondContact N-O 2.85Å; H430-V470 PolarHBondContact O-N 3.05Å |
| 431 | R | 93.1 | Very high | 89.6 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 15% | 0.151 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.1 | 169.8 | -169.9 | 175.9 | -168 | -166 | 3.4 | 109.1 | Q445 V447 E466 Y469 D566 | R431-Q445 PolarHBondContact N-O 2.9Å; R431-V447 HydrophobicContact CB-CG1 3.71Å; R431-E466 PolarHBondContact NH2-O 3.02Å; R431-Y469 HydrophobicContact CB-CD1 4.04Å; R431-Y469 HydrophobicContact CB-CE1 3.89Å; R431-Y469 HydrophobicContact CG-CD1 4.32Å; R431-Y469 HydrophobicContact CG-CE1 3.92Å; R431-D566 IonicContact CZ-OD2 2.54Å; R431-D566 PolarHBondContact NH1-O 3.03Å; R431-D566 IonicContact NH1-OD2 2.77Å; R431-D566 PolarHBondContact NH1-OD2 2.73Å; R431-D566 PolarHBondContact NH2-O 2.94Å |
| 432 | V | 93 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -179.7 | -173.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | H430 R436 M440 Q444 R468 V470 | H430-V432 HydrophobicContact CB-CG1 4.42Å; V432-R436 HydrophobicContact CG2-CB 4.27Å; V432-M440 HydrophobicContact CG1-CE 4.44Å; V432-M440 HydrophobicContact CG1-CG 4.39Å; V432-M440 HydrophobicContact CG1-SD 3.52Å; V432-M440 VanDerWaalsContact CG1-SD 3.52Å; V432-Q444 HydrophobicContact CG1-CB 4.36Å; V432-Q444 HydrophobicContact CG1-CG 4.25Å; V432-R468 HydrophobicContact CG2-CB 4.2Å; V432-R468 HydrophobicContact CG2-CG 3.67Å; V432-R468 PolarHBondContact N-O 3.26Å; V432-V470 HydrophobicContact CB-CG2 4.37Å; V432-V470 HydrophobicContact CG1-CB 4.02Å; V432-V470 HydrophobicContact CG1-CG2 3.68Å; V432-V470 HydrophobicContact CG2-CG2 3.83Å |
| 433 | E | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -66.9 | 136.8 | 178 | -51.5 | 89.9 | 155 | 0 | 0 | 111.2 | N435 R436 R468 Q521 K568 L570 | E433-N435 PolarHBondContact O-N 2.82Å; E433-R436 HydrophobicContact CB-CB 4.39Å; E433-R436 VanDerWaalsContact O-CB 3.32Å; E433-R436 WeakPolarHBondContact O-CB 3.45Å; E433-R436 PolarHBondContact O-N 2.82Å; E433-R436 IonicContact OE1-CZ 3.02Å; E433-R436 IonicContact OE1-NH2 3.58Å; E433-R436 PolarHBondContact OE1-NH2 3.24Å; E433-R436 VanDerWaalsContact OE1-NH2 3.11Å; E433-R436 IonicContact OE2-CZ 3.51Å; E433-R436 VanDerWaalsContact OE2-CZ 3.32Å; E433-R436 IonicContact OE2-NE 3.5Å; E433-R436 PolarHBondContact OE2-NE 3.07Å; E433-R436 IonicContact OE2-NH2 3.74Å; E433-R436 PolarHBondContact OE2-NH2 2.86Å; E433-R436 VanDerWaalsContact OE2-NH2 3.13Å; E433-R468 WeakPolarHBondContact O-CD 3.36Å; E433-Q521 HydrophobicContact CG-CG 4.13Å; E433-Q521 PolarHBondContact OE1-NE2 3.03Å; E433-K568 CarbonylContact C-O 3.43Å; E433-K568 WeakPolarHBondContact CA-O 3.29Å; E433-K568 HydrophobicContact CB-CB 4.15Å; E433-K568 WeakPolarHBondContact CB-O 3.49Å; E433-K568 HydrophobicContact CG-CB 3.63Å; E433-L570 HydrophobicContact CB-CB 3.9Å; E433-L570 HydrophobicContact CG-CB 3.86Å | ||
| 434 | L | 93.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 22.3 Ų | 22.3 | 17% | 0.173 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21 | -173.4 | -65.4 | 178.6 | 0 | 0 | 0 | 113.8 | R468 V552 I567 K568 | L434-R468 HydrophobicContact CD2-CB 4.25Å; L434-R468 PolarHBondContact O-NE 3.2Å; L434-R468 PolarHBondContact O-NH1 3.1Å; L434-R468 VanDerWaalsContact O-NH1 3.07Å; L434-V552 HydrophobicContact CB-CG1 3.74Å; L434-V552 HydrophobicContact CD1-CG1 3.95Å; L434-V552 HydrophobicContact CG-CG1 4.37Å; L434-I567 HydrophobicContact CD1-CB 4.08Å; L434-I567 HydrophobicContact CD1-CG2 4.03Å; L434-K568 PolarHBondContact N-O 3.05Å |
| 435 | N | 93.1 | Very high | 90.1 | Very high | 25 Ų | 25 | 26.1 Ų | 26.1 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 16.4 | 177.2 | 68.7 | -27.4 | 0 | 0 | 0 | 113.2 | E433 K437 V552 L570 | E433-N435 PolarHBondContact O-N 2.82Å; N435-K437 PolarHBondContact O-N 2.89Å; N435-V552 HydrophobicContact CB-CG2 3.71Å; N435-V552 WeakPolarHBondContact ND2-CG2 3.22Å; N435-L570 PolarHBondContact ND2-O 3.17Å; N435-L570 PolarHBondContact OD1-N 2.84Å; N435-L570 PolarHBondContact OD1-O 3.41Å |
| 436 | R | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -58 | 126.9 | 177.5 | -178.7 | 169.7 | -80.6 | -100.7 | 6.3 | 110.3 | V432 E433 Y438 R439 M440 R468 L499 I643 | V432-R436 HydrophobicContact CG2-CB 4.27Å; E433-R436 HydrophobicContact CB-CB 4.39Å; E433-R436 VanDerWaalsContact O-CB 3.32Å; E433-R436 WeakPolarHBondContact O-CB 3.45Å; E433-R436 PolarHBondContact O-N 2.82Å; E433-R436 IonicContact OE1-CZ 3.02Å; E433-R436 IonicContact OE1-NH2 3.58Å; E433-R436 PolarHBondContact OE1-NH2 3.24Å; E433-R436 VanDerWaalsContact OE1-NH2 3.11Å; E433-R436 IonicContact OE2-CZ 3.51Å; E433-R436 VanDerWaalsContact OE2-CZ 3.32Å; E433-R436 IonicContact OE2-NE 3.5Å; E433-R436 PolarHBondContact OE2-NE 3.07Å; E433-R436 IonicContact OE2-NH2 3.74Å; E433-R436 PolarHBondContact OE2-NH2 2.86Å; E433-R436 VanDerWaalsContact OE2-NH2 3.13Å; R436-Y438 WeakPolarHBondContact CD-O 3.28Å; R436-Y438 VanDerWaalsContact CG-O 3.27Å; R436-Y438 WeakPolarHBondContact CG-O 2.99Å; R436-Y438 PolarHBondContact NH1-O 2.68Å; R436-R439 PolarHBondContact NH1-O 3.13Å; R436-M440 VanDerWaalsContact NH1-CG 3.34Å; R436-R468 PolarHBondContact O-NH1 3.18Å; R436-L499 HydrophobicContact CG-CD1 4.34Å; R436-I643 VanDerWaalsContact NH2-C 3.35Å; R436-I643 PolarHBondContact NH2-O 2.83Å; R436-I643 PolarHBondContact NH2-OXT 3.13Å | ||
| 437 | K | 88.7 | Confident | 90 | Very high | 104 Ų | 104 | 32.6 Ų | 32.6 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | trans | -120.3 | -15.5 | 178.9 | -68.1 | 167.6 | -171.6 | 168.1 | 0 | 112.9 | N435 L499 E550 | N435-K437 PolarHBondContact O-N 2.89Å; K437-L499 WeakPolarHBondContact O-CD2 3.3Å; K437-E550 IonicContact NZ-OE1 3.69Å; K437-E550 PolarHBondContact NZ-OE1 3.4Å | ||
| 438 | Y | 89.7 | Confident | 90 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 14% | 0.137 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -125.3 | 162.9 | -171.7 | -50.7 | -76.6 | 0 | 0 | 0 | 110.9 | R436 L501 D503 P504 Y572 | R436-Y438 WeakPolarHBondContact CD-O 3.28Å; R436-Y438 VanDerWaalsContact CG-O 3.27Å; R436-Y438 WeakPolarHBondContact CG-O 2.99Å; R436-Y438 PolarHBondContact NH1-O 2.68Å; Y438-L501 WeakPolarHBondContact CA-O 3.23Å; Y438-L501 WeakPolarHBondContact CB-O 3.35Å; Y438-L501 HydrophobicContact CD1-CB 3.75Å; Y438-L501 HydrophobicContact CE1-CB 4.22Å; Y438-L501 HydrophobicContact CE1-CD1 4.28Å; Y438-D503 WeakPolarHBondContact CD1-O 3.23Å; Y438-D503 VanDerWaalsContact CE1-C 3.49Å; Y438-D503 VanDerWaalsContact CE1-O 3.25Å; Y438-D503 WeakPolarHBondContact CE1-O 3.31Å; Y438-P504 HydrophobicContact CE1-CB 4.49Å; Y438-P504 HydrophobicContact CE1-CG 4.4Å; Y438-P504 HydrophobicContact CE2-CG 3.78Å; Y438-P504 WeakPolarHBondContact OH-CA 3.45Å; Y438-Y572 HydrophobicContact CD2-CD2 4.12Å; Y438-Y572 HydrophobicContact CD2-CE1 4.38Å; Y438-Y572 AromaticContact CD2-CE2 3.27Å; Y438-Y572 HydrophobicContact CD2-CE2 3.27Å; Y438-Y572 AromaticContact CD2-CZ 3.41Å; Y438-Y572 VanDerWaalsContact CD2-CZ 3.41Å; Y438-Y572 WeakPolarHBondContact CD2-OH 3.46Å; Y438-Y572 AromaticContact CE2-CD2 3.82Å; Y438-Y572 HydrophobicContact CE2-CD2 3.82Å; Y438-Y572 AromaticContact CE2-CE2 3.46Å; Y438-Y572 HydrophobicContact CE2-CE2 3.46Å; Y438-Y572 VanDerWaalsContact CE2-CE2 3.46Å; Y438-Y572 AromaticContact CE2-CZ 3.87Å; Y438-Y572 HydrophobicContact CG-CE2 4.46Å |
| 439 | R | 87.4 | Confident | 89.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | trans | -58 | 146.9 | -176.7 | -67.9 | 172.3 | 66.2 | 79.9 | 5 | 112.7 | N387 P388 R436 H441 L499 L501 D502 | N387-R439 PolarHBondContact O-NH2 2.83Å; P388-R439 PolarHBondContact O-NH1 2.7Å; R436-R439 PolarHBondContact NH1-O 3.13Å; R439-H441 PolarHBondContact O-CD2 3.05Å; R439-L499 WeakPolarHBondContact CD-O 3.28Å; R439-L499 HydrophobicContact CG-CB 4.02Å; R439-L499 WeakPolarHBondContact CG-O 3.24Å; R439-L499 PolarHBondContact NH1-O 3.26Å; R439-L499 VanDerWaalsContact NH1-O 3.08Å; R439-L501 WeakPolarHBondContact CG-O 3.48Å; R439-L501 PolarHBondContact N-O 2.97Å; R439-D502 VanDerWaalsContact CD-OD1 3.25Å; R439-D502 WeakPolarHBondContact CD-OD1 3.2Å; R439-D502 IonicContact NE-OD1 3.5Å; R439-D502 PolarHBondContact NE-OD1 2.75Å | ||
| 440 | M | 87.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -76.7 | 123 | 169.4 | -66.2 | 173.9 | 48.9 | 0 | 0 | 109.9 | L385 Q390 H430 V432 R436 Q444 V470 I472 | L385-M440 HydrophobicContact CD2-CB 4.44Å; Q390-M440 PolarHBondContact NE2-O 3Å; H430-M440 HydrophobicContact CB-CE 4.05Å; H430-M440 HydrophobicContact CB-SD 4.4Å; V432-M440 HydrophobicContact CG1-CE 4.44Å; V432-M440 HydrophobicContact CG1-CG 4.39Å; V432-M440 HydrophobicContact CG1-SD 3.52Å; V432-M440 VanDerWaalsContact CG1-SD 3.52Å; R436-M440 VanDerWaalsContact NH1-CG 3.34Å; M440-Q444 HydrophobicContact CE-CB 3.8Å; M440-Q444 HydrophobicContact CE-CG 3.69Å; M440-Q444 HydrophobicContact SD-CG 4.44Å; M440-V470 HydrophobicContact SD-CB 3.74Å; M440-V470 HydrophobicContact SD-CG1 3.79Å; M440-V470 HydrophobicContact SD-CG2 3.95Å; M440-I472 HydrophobicContact CE-CD1 4.44Å | ||
| 441 | H | 82.1 | Confident | 89.6 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | trans | -114.3 | -11.3 | 174.9 | -63 | -76.1 | 0 | 0 | 0 | 112.3 | L385 R439 D502 T641 | L385-H441 WeakPolarHBondContact CD1-O 3.46Å; R439-H441 PolarHBondContact O-CD2 3.05Å; H441-D502 IonicContact CE1-OD1 2.75Å; H441-D502 PolarHBondContact CE1-OD1 3.17Å; H441-D502 PolarHBondContact NE2-O 3.49Å; H441-D502 VanDerWaalsContact NE2-O 3.15Å; H441-D502 IonicContact NE2-OD1 3.61Å; H441-T641 WeakPolarHBondContact CB-O 3.37Å | ||
| 442 | T | 82.9 | Confident | 89.4 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -122.4 | 140.8 | 169.7 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | Q444 N642 | T442-Q444 PolarHBondContact O-N 3.39Å; T442-N642 PolarHBondContact OG1-O 3.05Å |
| 443 | A | 80.4 | Confident | 89.1 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | trans | -64.9 | 126.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 444 | Q | 85.8 | Confident | 88.7 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | trans | -94.1 | -172.1 | 175.5 | -63.9 | -63.3 | -32.9 | 0 | 0 | 110.3 | H430 V432 M440 T442 K446 I643 | H430-Q444 HydrophobicContact CB-CB 4.38Å; H430-Q444 PolarHBondContact CD2-O 3Å; V432-Q444 HydrophobicContact CG1-CB 4.36Å; V432-Q444 HydrophobicContact CG1-CG 4.25Å; M440-Q444 HydrophobicContact CE-CB 3.8Å; M440-Q444 HydrophobicContact CE-CG 3.69Å; M440-Q444 HydrophobicContact SD-CG 4.44Å; T442-Q444 PolarHBondContact O-N 3.39Å; Q444-K446 PolarHBondContact O-N 2.87Å; Q444-K446 VanDerWaalsContact O-N 3.13Å; Q444-I643 PolarHBondContact NE2-OXT 3.09Å | ||
| 445 | Q | 88.3 | Confident | 88.3 | Confident | 94 Ų | 94 | 48.6 Ų | 48.6 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 111.5 | 178.8 | -178.3 | -178.4 | 2.9 | 0 | 0 | 110.2 | H430 R431 V447 | H430-Q445 CarbonylContact C-O 3.6Å; H430-Q445 VanDerWaalsContact CA-O 3.32Å; H430-Q445 WeakPolarHBondContact CA-O 3.46Å; R431-Q445 PolarHBondContact N-O 2.9Å; Q445-V447 HydrophobicContact CG-CG1 4.48Å; Q445-V447 PolarHBondContact O-N 3.17Å |
| 446 | K | 91.8 | Very high | 88 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.5 | 168.2 | -178.4 | 174.1 | 178.7 | 163.1 | 0 | 109 | I378 D428 Q444 | I378-K446 HydrophobicContact CD1-CD 4.13Å; D428-K446 VanDerWaalsContact CG-CE 3.46Å; D428-K446 VanDerWaalsContact OD1-CE 3.3Å; D428-K446 WeakPolarHBondContact OD1-CE 3.16Å; D428-K446 IonicContact OD1-NZ 3.03Å; D428-K446 PolarHBondContact OD1-NZ 2.95Å; D428-K446 WeakPolarHBondContact OD2-CE 3.5Å; D428-K446 IonicContact OD2-NZ 2.82Å; D428-K446 PolarHBondContact OD2-NZ 3.1Å; Q444-K446 PolarHBondContact O-N 2.87Å; Q444-K446 VanDerWaalsContact O-N 3.13Å |
| 447 | V | 93.1 | Very high | 87.8 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -28.2 | 178.5 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | I429 R431 Q445 L464 Y469 | I429-V447 HydrophobicContact CB-CG2 4.04Å; I429-V447 HydrophobicContact CG2-CG2 3.69Å; I429-V447 WeakPolarHBondContact O-CG2 3.46Å; I429-V447 PolarHBondContact O-N 3.14Å; R431-V447 HydrophobicContact CB-CG1 3.71Å; Q445-V447 HydrophobicContact CG-CG1 4.48Å; Q445-V447 PolarHBondContact O-N 3.17Å; V447-L464 HydrophobicContact CG2-CD2 4.29Å; V447-Y469 HydrophobicContact CG1-CE1 4.4Å; V447-Y469 HydrophobicContact CG2-CD1 3.87Å; V447-Y469 HydrophobicContact CG2-CE1 3.9Å |
| 448 | A | 93.4 | Very high | 87.9 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 168.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I429 L460 K462 | I429-A448 HydrophobicContact CB-CB 4.34Å; I429-A448 HydrophobicContact CD1-CB 4.19Å; I429-A448 PolarHBondContact N-O 2.7Å; I429-A448 PolarHBondContact O-N 3.45Å; A448-L460 HydrophobicContact CB-CD2 4.18Å; A448-K462 HydrophobicContact CB-CG 4.16Å |
| 449 | G | 91.5 | Very high | 88.1 | Confident | 26 Ų | 26 | 43 Ų | 43 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 156.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F427 | F427-G449 CarbonylContact O-C 3.51Å; F427-G449 WeakPolarHBondContact O-CA 3.37Å |
| 450 | S | 92.3 | Very high | 88.3 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 164 | 172.6 | 74.7 | 0 | 0 | 0 | 0 | 110.8 | G426 F427 V458 | G426-S450 WeakPolarHBondContact CA-OG 3.24Å; F427-S450 PolarHBondContact N-OG 3.43Å; F427-S450 PolarHBondContact O-N 3.16Å; S450-V458 VanDerWaalsContact CB-CG1 3.43Å; S450-V458 WeakPolarHBondContact OG-CG1 3.47Å |
| 451 | I | 89.4 | Confident | 88.5 | Confident | 118 Ų | 118 | 48 Ų | 48 | 61% | 0.605 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 155.1 | 159.2 | 60 | 174.4 | 0 | 0 | 0 | 109.7 | I453 | I451-I453 HydrophobicContact CB-CG2 4.46Å; I451-I453 HydrophobicContact CD1-CD1 4.49Å; I451-I453 HydrophobicContact CD1-CG2 3.58Å; I451-I453 HydrophobicContact CG1-CG2 3.88Å |
| 452 | Y | 89.3 | Confident | 89 | Confident | 56 Ų | 56 | 50 Ų | 50 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 120.1 | 171.3 | -74 | -103 | 0 | 0 | 0 | 108.1 | C377 I425 T474 F476 | C377-Y452 HydrophobicContact CB-CD1 4.34Å; C377-Y452 HydrophobicContact CB-CE1 3.51Å; C377-Y452 HydrophobicContact CB-CE2 4.2Å; C377-Y452 VanDerWaalsContact CB-CZ 3.44Å; C377-Y452 WeakPolarHBondContact CB-OH 3.43Å; I425-Y452 WeakPolarHBondContact O-CA 3.32Å; Y452-T474 WeakPolarHBondContact CE1-OG1 3.33Å; Y452-T474 PolarHBondContact OH-OG1 2.91Å; Y452-F476 HydrophobicContact CD1-CB 4.06Å; Y452-F476 AromaticContact CD1-CD2 4Å; Y452-F476 HydrophobicContact CD1-CD2 4Å; Y452-F476 AromaticContact CG-CD2 3.95Å; Y452-F476 HydrophobicContact CG-CD2 3.95Å |
| 453 | I | 87 | Confident | 89.4 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -137.9 | 150 | -176.9 | 56.5 | 172.9 | 0 | 0 | 0 | 110.6 | I425 I451 S455 V458 | I425-I453 PolarHBondContact N-O 3.21Å; I425-I453 VanDerWaalsContact N-O 3.16Å; I425-I453 PolarHBondContact O-N 3.29Å; I451-I453 HydrophobicContact CB-CG2 4.46Å; I451-I453 HydrophobicContact CD1-CD1 4.49Å; I451-I453 HydrophobicContact CD1-CG2 3.58Å; I451-I453 HydrophobicContact CG1-CG2 3.88Å; I453-S455 PolarHBondContact O-N 2.93Å; I453-V458 HydrophobicContact CD1-CG2 4.05Å; I453-V458 HydrophobicContact CG1-CG2 3.61Å |
| 454 | N | 85.2 | Confident | 90.1 | Very high | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -81.9 | 53.5 | 175.9 | -61.1 | -5.4 | 0 | 0 | 0 | 110.2 | A424 | A424-N454 WeakPolarHBondContact CA-OD1 3.45Å; A424-N454 WeakPolarHBondContact CB-OD1 3.48Å; A424-N454 PolarHBondContact N-OD1 3.04Å |
| 455 | S | 83.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -122.1 | 160.8 | -176.8 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | Q408 I453 | Q408-S455 PolarHBondContact NE2-O 3.04Å; I453-S455 PolarHBondContact O-N 2.93Å |
| 456 | R | 86.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -71.4 | -41.2 | -177.9 | -173.7 | -179 | 73.2 | 158.2 | 7.8 | 113.4 | R127 D184 D188 Q407 Q408 E410 | R127-R456 VanDerWaalsContact NH1-NH1 3.12Å; D184-R456 VanDerWaalsContact C-NH2 3.33Å; D184-R456 VanDerWaalsContact CB-CZ 3.41Å; D184-R456 VanDerWaalsContact CB-NH2 3.28Å; D184-R456 PolarHBondContact O-NH2 3.28Å; D184-R456 WeakPolarHBondContact OD1-CB 3.39Å; D184-R456 IonicContact OD1-CZ 3.88Å; D184-R456 IonicContact OD1-NE 2.79Å; D184-R456 PolarHBondContact OD1-NE 2.62Å; D184-R456 IonicContact OD1-NH2 3.32Å; D184-R456 PolarHBondContact OD1-NH2 3.48Å; D184-R456 WeakPolarHBondContact OD2-CB 3.33Å; D184-R456 IonicContact OD2-NE 3.69Å; D188-R456 VanDerWaalsContact CG-NH1 3.32Å; D188-R456 IonicContact OD1-CZ 3.79Å; D188-R456 IonicContact OD1-NH1 2.71Å; D188-R456 PolarHBondContact OD1-NH1 3.32Å; D188-R456 IonicContact OD1-NH2 3.75Å; D188-R456 PolarHBondContact OD1-NH2 3.48Å; D188-R456 IonicContact OD2-CZ 2.79Å; D188-R456 IonicContact OD2-NH1 2.65Å; D188-R456 PolarHBondContact OD2-NH1 3.35Å; D188-R456 IonicContact OD2-NH2 3.59Å; Q407-R456 CarbonylContact C-O 3.57Å; Q407-R456 VanDerWaalsContact CA-O 3.26Å; Q407-R456 WeakPolarHBondContact CA-O 3.38Å; Q407-R456 HydrophobicContact CG-CG 4.24Å; Q408-R456 PolarHBondContact N-O 3.28Å; E410-R456 HydrophobicContact CG-CG 4.06Å; E410-R456 WeakPolarHBondContact OE1-CD 3.34Å; E410-R456 IonicContact OE1-CZ 3.13Å; E410-R456 IonicContact OE1-NE 2.69Å; E410-R456 IonicContact OE1-NH1 2.99Å; E410-R456 PolarHBondContact OE1-NH1 2.94Å |
| 457 | C | 88.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.142 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.8 | 167.7 | 166.4 | 0 | 0 | 0 | 0 | 110.9 | C405 L406 Q407 | C405-C457 WeakPolarHBondContact CB-SG 3.47Å; C405-C457 WeakPolarHBondContact SG-CB 3.27Å; C405-C457 CovalentContact SG-SG 2.1Å; C405-C457 PolarHBondContact SG-SG 2.72Å; L406-C457 CarbonylContact O-C 3.59Å; L406-C457 WeakPolarHBondContact O-CA 3.28Å; Q407-C457 HydrophobicContact CB-CB 4.26Å; Q407-C457 HydrophobicContact CG-CB 4.43Å |
| 458 | V | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.8 | 167.9 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | C405 L406 I425 F427 S450 I453 | C405-V458 CarbonylContact C-O 3.55Å; C405-V458 VanDerWaalsContact CA-O 3.28Å; C405-V458 WeakPolarHBondContact CA-O 3.22Å; L406-V458 PolarHBondContact N-O 2.85Å; L406-V458 PolarHBondContact O-N 2.95Å; I425-V458 HydrophobicContact CD1-CG2 3.96Å; I425-V458 HydrophobicContact CG1-CG2 3.73Å; I425-V458 WeakPolarHBondContact O-CG2 3.11Å; F427-V458 HydrophobicContact CE1-CG1 4.29Å; S450-V458 VanDerWaalsContact CB-CG1 3.43Å; S450-V458 WeakPolarHBondContact OG-CG1 3.47Å; I453-V458 HydrophobicContact CD1-CG2 4.05Å; I453-V458 HydrophobicContact CG1-CG2 3.61Å |
| 459 | F | 92.3 | Very high | 90.6 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.2 | -177.5 | 176.9 | -95.4 | 0 | 0 | 0 | 111.2 | V193 S194 E195 L403 I404 C405 R461 | V193-F459 HydrophobicContact CG1-CD2 3.31Å; V193-F459 HydrophobicContact CG1-CE2 3.41Å; V193-F459 VanDerWaalsContact CG1-CE2 3.41Å; V193-F459 HydrophobicContact CG1-CG 4.41Å; S194-F459 WeakPolarHBondContact O-CB 3.48Å; E195-F459 HydrophobicContact CB-CD1 3.79Å; E195-F459 HydrophobicContact CB-CE1 3.68Å; E195-F459 HydrophobicContact CB-CG 4.41Å; E195-F459 HydrophobicContact CB-CZ 4.19Å; E195-F459 VanDerWaalsContact CD-CE1 3.42Å; E195-F459 HydrophobicContact CG-CD1 3.68Å; E195-F459 HydrophobicContact CG-CE1 3.47Å; E195-F459 VanDerWaalsContact CG-CE1 3.47Å; E195-F459 HydrophobicContact CG-CZ 4.34Å; E195-F459 WeakPolarHBondContact OE1-CE1 3.28Å; L403-F459 HydrophobicContact CB-CE2 3.92Å; L403-F459 HydrophobicContact CB-CZ 4.13Å; L403-F459 HydrophobicContact CD2-CZ 4.06Å; L403-F459 HydrophobicContact CG-CZ 4.5Å; I404-F459 CarbonylContact O-C 3.57Å; I404-F459 WeakPolarHBondContact O-CA 3.37Å; C405-F459 HydrophobicContact CB-CD2 4.38Å; F459-R461 HydrophobicContact CE1-CB 3.71Å; F459-R461 HydrophobicContact CZ-CB 4.01Å |
| 460 | L | 92.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.1 | 169.5 | -174.8 | 68.4 | 0 | 0 | 0 | 109.9 | L403 I404 F427 I429 A448 K462 | L403-L460 WeakPolarHBondContact CA-O 3.42Å; I404-L460 PolarHBondContact N-O 2.85Å; I404-L460 PolarHBondContact O-N 3.03Å; F427-L460 HydrophobicContact CE2-CB 3.93Å; F427-L460 HydrophobicContact CE2-CD2 3.8Å; F427-L460 HydrophobicContact CZ-CB 3.47Å; F427-L460 VanDerWaalsContact CZ-CB 3.47Å; F427-L460 HydrophobicContact CZ-CD2 4.22Å; I429-L460 HydrophobicContact CD1-CD2 3.83Å; A448-L460 HydrophobicContact CB-CD2 4.18Å; L460-K462 HydrophobicContact CG-CB 4.48Å |
| 461 | R | 91.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.4 | 167.4 | 173.1 | 173.3 | -170.3 | -178.5 | 9.6 | 108.4 | E401 L403 F459 | E401-R461 HydrophobicContact CG-CG 4.46Å; E401-R461 IonicContact OE1-CZ 3.21Å; E401-R461 IonicContact OE1-NE 3.67Å; E401-R461 PolarHBondContact OE1-NE 3Å; E401-R461 IonicContact OE1-NH2 2.76Å; E401-R461 PolarHBondContact OE1-NH2 3.13Å; E401-R461 IonicContact OE2-CZ 3.33Å; E401-R461 IonicContact OE2-NE 2.76Å; E401-R461 IonicContact OE2-NH2 3.24Å; E401-R461 PolarHBondContact OE2-NH2 2.8Å; L403-R461 HydrophobicContact CD2-CB 3.8Å; L403-R461 HydrophobicContact CD2-CG 3.53Å; F459-R461 HydrophobicContact CE1-CB 3.71Å; F459-R461 HydrophobicContact CZ-CB 4.01Å |
| 462 | K | 91.9 | Very high | 91.1 | Very high | 98 Ų | 98 | 42 Ų | 42 | 43% | 0.426 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 138.2 | -179.7 | -168.6 | 63.3 | 175.9 | 179.1 | 0 | 111.8 | V402 A448 L460 L464 | V402-K462 PolarHBondContact N-O 3.47Å; V402-K462 PolarHBondContact O-N 2.86Å; A448-K462 HydrophobicContact CB-CG 4.16Å; L460-K462 HydrophobicContact CG-CB 4.48Å; K462-L464 HydrophobicContact CG-CD2 3.92Å; K462-L464 HydrophobicContact CG-CG 4.41Å |
| 463 | E | 92.8 | Very high | 91.3 | Very high | 136 Ų | 136 | 39.3 Ų | 39.3 | 64% | 0.636 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124 | 166.4 | -67.4 | 178.7 | 170.6 | 0 | 0 | 109.5 | D400 | D400-E463 WeakPolarHBondContact O-CA 3.32Å |
| 464 | L | 93.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.5 | -180 | -64.5 | -179.4 | 0 | 0 | 0 | 110 | F393 V395 E399 D400 V402 V447 K462 Y469 | F393-L464 HydrophobicContact CE2-CD1 4.14Å; F393-L464 HydrophobicContact CZ-CD1 3.8Å; V395-L464 HydrophobicContact CG2-CB 4.12Å; V395-L464 HydrophobicContact CG2-CD1 4.44Å; E399-L464 WeakPolarHBondContact CA-O 3.32Å; D400-L464 PolarHBondContact N-O 2.86Å; D400-L464 PolarHBondContact O-N 2.96Å; V402-L464 HydrophobicContact CB-CD1 4.23Å; V402-L464 HydrophobicContact CG2-CB 4.32Å; V402-L464 HydrophobicContact CG2-CD1 3.94Å; V402-L464 HydrophobicContact CG2-CG 4.29Å; V447-L464 HydrophobicContact CG2-CD2 4.29Å; K462-L464 HydrophobicContact CG-CD2 3.92Å; K462-L464 HydrophobicContact CG-CG 4.41Å; L464-Y469 HydrophobicContact CB-CE2 4.25Å; L464-Y469 HydrophobicContact CD1-CD2 4.38Å; L464-Y469 HydrophobicContact CD1-CE2 4.42Å; L464-Y469 HydrophobicContact CD1-CG 4.42Å; L464-Y469 HydrophobicContact CD2-CE1 4.36Å |
| 465 | K | 91.6 | Very high | 91.9 | Very high | 128 Ų | 128 | 31.3 Ų | 31.3 | 56% | 0.557 | 14% | 0.144 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 161.8 | 175.8 | -64.6 | -171.1 | 174.7 | -172.3 | 0 | 111.3 | V398 E399 G467 Y469 | V398-K465 CarbonylContact O-C 3.57Å; V398-K465 WeakPolarHBondContact O-CA 3.32Å; E399-K465 HydrophobicContact CG-CG 4.21Å; K465-G467 PolarHBondContact O-N 2.87Å; K465-Y469 PolarHBondContact N-OH 2.96Å; K465-Y469 VanDerWaalsContact O-CE2 3.31Å; K465-Y469 WeakPolarHBondContact O-CE2 3.31Å; K465-Y469 PolarHBondContact O-OH 2.89Å |
| 466 | E | 91.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 29% | 0.285 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 128.7 | 174.1 | -158.9 | 179.8 | 153.5 | 0 | 0 | 111.9 | V395 K397 V398 R431 P555 | V395-E466 WeakPolarHBondContact O-CA 3.44Å; V395-E466 VanDerWaalsContact O-CG 3.32Å; V395-E466 WeakPolarHBondContact O-CG 3.38Å; K397-E466 VanDerWaalsContact O-CA 3.32Å; K397-E466 WeakPolarHBondContact O-CA 3.41Å; K397-E466 VanDerWaalsContact O-CB 3.22Å; K397-E466 WeakPolarHBondContact O-CB 3.5Å; K397-E466 PolarHBondContact O-N 3.47Å; V398-E466 PolarHBondContact O-N 2.97Å; R431-E466 PolarHBondContact NH2-O 3.02Å; E466-P555 HydrophobicContact CB-CB 4.44Å; E466-P555 HydrophobicContact CB-CG 4.02Å; E466-P555 VanDerWaalsContact CD-CG 3.48Å; E466-P555 HydrophobicContact CG-CB 4.31Å; E466-P555 HydrophobicContact CG-CG 3.79Å; E466-P555 WeakPolarHBondContact OE1-CG 3.32Å; E466-P555 WeakPolarHBondContact OE2-CB 3.41Å |
| 467 | G | 91.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | V395 K465 | V395-G467 PolarHBondContact N-O 2.82Å; V395-G467 PolarHBondContact O-N 3.22Å; K465-G467 PolarHBondContact O-N 2.87Å |
| 468 | R | 94.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.8 | 179 | -177.4 | 167 | -81.2 | -179.9 | 9.9 | 110.8 | V392 D394 V432 E433 L434 R436 | V392-R468 VanDerWaalsContact CG2-CD 3.49Å; V392-R468 HydrophobicContact CG2-CG 3.43Å; V392-R468 VanDerWaalsContact CG2-CG 3.43Å; D394-R468 VanDerWaalsContact OD1-CB 3.31Å; D394-R468 WeakPolarHBondContact OD1-CB 3.4Å; D394-R468 VanDerWaalsContact OD1-CG 3.23Å; D394-R468 WeakPolarHBondContact OD1-CG 3.32Å; D394-R468 IonicContact OD1-CZ 3.65Å; D394-R468 IonicContact OD1-NE 2.73Å; D394-R468 PolarHBondContact OD1-NE 3.01Å; D394-R468 IonicContact OD1-NH2 3.16Å; D394-R468 PolarHBondContact OD1-NH2 3.39Å; D394-R468 IonicContact OD2-CZ 3.6Å; D394-R468 IonicContact OD2-NE 3.7Å; D394-R468 IonicContact OD2-NH2 3.38Å; D394-R468 PolarHBondContact OD2-NH2 3.09Å; V432-R468 HydrophobicContact CG2-CB 4.2Å; V432-R468 HydrophobicContact CG2-CG 3.67Å; V432-R468 PolarHBondContact N-O 3.26Å; E433-R468 WeakPolarHBondContact O-CD 3.36Å; L434-R468 HydrophobicContact CD2-CB 4.25Å; L434-R468 PolarHBondContact O-NE 3.2Å; L434-R468 PolarHBondContact O-NH1 3.1Å; L434-R468 VanDerWaalsContact O-NH1 3.07Å; R436-R468 PolarHBondContact O-NH1 3.18Å |
| 469 | Y | 94.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.7 | -175.6 | -60.6 | -87.8 | 0 | 0 | 0 | 111.3 | V392 F393 V395 I429 H430 R431 V447 L464 K465 | V392-Y469 CarbonylContact C-O 3.16Å; V392-Y469 VanDerWaalsContact CA-O 3.27Å; V392-Y469 WeakPolarHBondContact CA-O 3.39Å; F393-Y469 HydrophobicContact CE1-CG 4.36Å; F393-Y469 HydrophobicContact CE2-CD2 4.25Å; F393-Y469 HydrophobicContact CZ-CD2 4.21Å; F393-Y469 HydrophobicContact CZ-CG 4.06Å; F393-Y469 PolarHBondContact N-O 3.32Å; F393-Y469 PolarHBondContact O-N 2.87Å; V395-Y469 HydrophobicContact CB-CD2 4.45Å; V395-Y469 HydrophobicContact CB-CE2 4Å; V395-Y469 HydrophobicContact CG2-CD2 3.82Å; V395-Y469 HydrophobicContact CG2-CE2 3.66Å; I429-Y469 HydrophobicContact CG2-CD1 4.1Å; I429-Y469 HydrophobicContact CG2-CG 4.4Å; H430-Y469 CarbonylContact O-C 3.6Å; H430-Y469 VanDerWaalsContact O-CA 3.22Å; H430-Y469 WeakPolarHBondContact O-CA 3.45Å; R431-Y469 HydrophobicContact CB-CD1 4.04Å; R431-Y469 HydrophobicContact CB-CE1 3.89Å; R431-Y469 HydrophobicContact CG-CD1 4.32Å; R431-Y469 HydrophobicContact CG-CE1 3.92Å; V447-Y469 HydrophobicContact CG1-CE1 4.4Å; V447-Y469 HydrophobicContact CG2-CD1 3.87Å; V447-Y469 HydrophobicContact CG2-CE1 3.9Å; L464-Y469 HydrophobicContact CB-CE2 4.25Å; L464-Y469 HydrophobicContact CD1-CD2 4.38Å; L464-Y469 HydrophobicContact CD1-CE2 4.42Å; L464-Y469 HydrophobicContact CD1-CG 4.42Å; L464-Y469 HydrophobicContact CD2-CE1 4.36Å; K465-Y469 PolarHBondContact N-OH 2.96Å; K465-Y469 VanDerWaalsContact O-CE2 3.31Å; K465-Y469 WeakPolarHBondContact O-CE2 3.31Å; K465-Y469 PolarHBondContact O-OH 2.89Å |
| 470 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.2 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | Q390 Y391 V392 I429 H430 V432 M440 I472 L499 | Q390-V470 HydrophobicContact CB-CG1 3.74Å; Q390-V470 HydrophobicContact CG-CG1 4.24Å; Y391-V470 CarbonylContact O-C 3.54Å; Y391-V470 VanDerWaalsContact O-CA 3.28Å; Y391-V470 WeakPolarHBondContact O-CA 3.09Å; V392-V470 HydrophobicContact CB-CG2 4.19Å; V392-V470 HydrophobicContact CG2-CG2 4.25Å; I429-V470 WeakPolarHBondContact CA-O 3.41Å; H430-V470 PolarHBondContact N-O 2.85Å; H430-V470 PolarHBondContact O-N 3.05Å; V432-V470 HydrophobicContact CB-CG2 4.37Å; V432-V470 HydrophobicContact CG1-CB 4.02Å; V432-V470 HydrophobicContact CG1-CG2 3.68Å; V432-V470 HydrophobicContact CG2-CG2 3.83Å; M440-V470 HydrophobicContact SD-CB 3.74Å; M440-V470 HydrophobicContact SD-CG1 3.79Å; M440-V470 HydrophobicContact SD-CG2 3.95Å; V470-I472 HydrophobicContact CG1-CD1 4.47Å; V470-I472 HydrophobicContact CG1-CG1 3.9Å; V470-L499 HydrophobicContact CG2-CD1 3.98Å |
| 471 | I | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.5 | 171.5 | -52.1 | 174.1 | 0 | 0 | 0 | 108.1 | Y391 F393 I404 F427 L486 V488 | Y391-I471 PolarHBondContact N-O 2.97Å; Y391-I471 PolarHBondContact O-N 3.29Å; F393-I471 HydrophobicContact CD1-CD1 3.78Å; F393-I471 HydrophobicContact CD1-CG1 3.74Å; F393-I471 HydrophobicContact CE1-CD1 3.61Å; F393-I471 HydrophobicContact CE1-CG1 3.39Å; F393-I471 HydrophobicContact CZ-CD1 4.43Å; F393-I471 HydrophobicContact CZ-CG1 4.44Å; I404-I471 HydrophobicContact CD1-CD1 3.67Å; I404-I471 HydrophobicContact CD1-CG1 4.31Å; I404-I471 HydrophobicContact CG1-CD1 4.1Å; I404-I471 HydrophobicContact CG2-CD1 4.36Å; F427-I471 HydrophobicContact CB-CG2 4.1Å; F427-I471 HydrophobicContact CD2-CG2 3.93Å; F427-I471 HydrophobicContact CG-CG2 4.22Å; I471-L486 HydrophobicContact CB-CD2 4.35Å; I471-L486 HydrophobicContact CD1-CD2 4.28Å; I471-L486 HydrophobicContact CG2-CD1 4.35Å; I471-L486 HydrophobicContact CG2-CD2 4.07Å; I471-V488 HydrophobicContact CD1-CG2 3.63Å |
| 472 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 97.7 | 175.9 | -46.9 | -176.7 | 0 | 0 | 0 | 108.2 | F384 L385 N387 Q390 F427 D428 M440 V470 T474 | F384-I472 HydrophobicContact CE1-CD1 3.87Å; F384-I472 HydrophobicContact CE2-CG2 4.35Å; F384-I472 HydrophobicContact CZ-CB 4.22Å; F384-I472 HydrophobicContact CZ-CD1 3.98Å; F384-I472 HydrophobicContact CZ-CG2 4.19Å; L385-I472 HydrophobicContact CD2-CD1 4.25Å; N387-I472 HydrophobicContact CB-CG2 3.9Å; Q390-I472 HydrophobicContact CG-CD1 4.38Å; Q390-I472 HydrophobicContact CG-CG1 4.23Å; F427-I472 VanDerWaalsContact CA-O 3.23Å; F427-I472 WeakPolarHBondContact CA-O 3.3Å; F427-I472 WeakPolarHBondContact CB-O 3.21Å; D428-I472 PolarHBondContact N-O 2.75Å; D428-I472 VanDerWaalsContact N-O 3.08Å; D428-I472 PolarHBondContact O-N 3.23Å; M440-I472 HydrophobicContact CE-CD1 4.44Å; V470-I472 HydrophobicContact CG1-CD1 4.47Å; V470-I472 HydrophobicContact CG1-CG1 3.9Å; I472-T474 HydrophobicContact CG2-CG2 3.77Å |
| 473 | P | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.6 | 173.3 | 33.5 | -33.1 | 0 | 0 | 0 | 110.7 | W363 Q389 Y391 L406 F427 F484 | W363-P473 PolarHBondContact NE1-O 3.43Å; Q389-P473 HydrophobicContact CB-CG 4.25Å; Q389-P473 WeakPolarHBondContact O-CD 3.5Å; Y391-P473 HydrophobicContact CD2-CG 4.33Å; Y391-P473 HydrophobicContact CE2-CG 4.08Å; L406-P473 HydrophobicContact CD1-CB 3.69Å; L406-P473 HydrophobicContact CD2-CB 3.8Å; L406-P473 HydrophobicContact CG-CB 4.38Å; F427-P473 HydrophobicContact CB-CB 4.33Å; P473-F484 HydrophobicContact CB-CE1 4.4Å; P473-F484 HydrophobicContact CB-CE2 3.89Å; P473-F484 HydrophobicContact CB-CZ 3.73Å; P473-F484 HydrophobicContact CG-CE1 4.07Å; P473-F484 HydrophobicContact CG-CE2 3.48Å; P473-F484 VanDerWaalsContact CG-CE2 3.48Å; P473-F484 HydrophobicContact CG-CZ 3.13Å |
| 474 | T | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.3 | -171.4 | 68.3 | 0 | 0 | 0 | 0 | 111 | F384 N387 G426 Y452 I472 | F384-T474 HydrophobicContact CD2-CG2 4.17Å; F384-T474 HydrophobicContact CE2-CG2 3.78Å; N387-T474 HydrophobicContact CB-CG2 4.1Å; N387-T474 WeakPolarHBondContact ND2-CG2 3.39Å; G426-T474 PolarHBondContact N-O 2.82Å; G426-T474 PolarHBondContact O-N 2.91Å; Y452-T474 WeakPolarHBondContact CE1-OG1 3.33Å; Y452-T474 PolarHBondContact OH-OG1 2.91Å; I472-T474 HydrophobicContact CG2-CG2 3.77Å |
| 475 | T | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 159.6 | 159.4 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | W363 G376 C377 L423 A424 I425 D477 Q480 | W363-T475 HydrophobicContact CD2-CG2 3.78Å; W363-T475 HydrophobicContact CE3-CG2 3.91Å; W363-T475 HydrophobicContact CG-CG2 4.2Å; W363-T475 HydrophobicContact CZ2-CG2 4.41Å; W363-T475 HydrophobicContact CZ3-CG2 4.29Å; G376-T475 CarbonylContact C-O 3.49Å; G376-T475 VanDerWaalsContact CA-O 3.25Å; G376-T475 WeakPolarHBondContact CA-O 2.98Å; C377-T475 PolarHBondContact N-O 2.72Å; L423-T475 HydrophobicContact CB-CG2 4.43Å; L423-T475 HydrophobicContact CD1-CG2 3.99Å; A424-T475 CarbonylContact O-C 3.56Å; A424-T475 WeakPolarHBondContact O-CA 3.47Å; I425-T475 HydrophobicContact CG2-CG2 4.37Å; T475-D477 PolarHBondContact OG1-O 2.62Å; T475-Q480 HydrophobicContact CG2-CB 3.9Å |
| 476 | F | 91 | Very high | 91.7 | Very high | 80 Ų | 80 | 29.5 Ų | 29.5 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -62.7 | -52.7 | 175.9 | -172.7 | -99.3 | 0 | 0 | 0 | 110.4 | C377 H380 A424 Y452 | C377-F476 PolarHBondContact N-O 3.19Å; C377-F476 PolarHBondContact SG-O 3.01Å; H380-F476 PolarHBondContact CE1-O 2.9Å; H380-F476 PolarHBondContact ND1-O 3.01Å; A424-F476 HydrophobicContact CB-CB 3.47Å; A424-F476 VanDerWaalsContact CB-CB 3.47Å; A424-F476 HydrophobicContact CB-CG 4.37Å; A424-F476 PolarHBondContact O-N 2.81Å; Y452-F476 HydrophobicContact CD1-CB 4.06Å; Y452-F476 AromaticContact CD1-CD2 4Å; Y452-F476 HydrophobicContact CD1-CD2 4Å; Y452-F476 AromaticContact CG-CD2 3.95Å; Y452-F476 HydrophobicContact CG-CD2 3.95Å |
| 477 | D | 90.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 26.8 Ų | 26.8 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -95.6 | 145.3 | 179 | -61.1 | -54.9 | 0 | 0 | 0 | 112.1 | T475 Q480 | T475-D477 PolarHBondContact OG1-O 2.62Å; D477-Q480 HydrophobicContact CB-CG 4.4Å |
| 478 | P | 89.8 | Confident | 91.8 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 160 | 174.3 | 30.4 | -35.3 | 0 | 0 | 0 | 112 | S374 Q480 | S374-P478 WeakPolarHBondContact O-CA 3.35Å; P478-Q480 PolarHBondContact O-N 3.41Å |
| 479 | G | 86 | Confident | 91.6 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 34% | 0.34 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -8.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S374 | S374-G479 PolarHBondContact O-N 2.91Å; S374-G479 WeakPolarHBondContact OG-CA 3.47Å |
| 480 | Q | 88.2 | Confident | 91.4 | Very high | 50 Ų | 50 | 24.6 Ų | 24.6 | 23% | 0.234 | 14% | 0.135 | C | C | . | . | trans | -70.5 | 139.7 | 175.2 | -66 | -174.4 | -15.5 | 0 | 0 | 111.1 | W363 S374 L423 T475 D477 P478 | W363-Q480 WeakPolarHBondContact CB-O 3.48Å; S374-Q480 VanDerWaalsContact CB-O 3.31Å; S374-Q480 WeakPolarHBondContact CB-O 3.41Å; L423-Q480 HydrophobicContact CD1-CB 4.28Å; L423-Q480 HydrophobicContact CD2-CB 4.35Å; L423-Q480 HydrophobicContact CD2-CG 4.41Å; T475-Q480 HydrophobicContact CG2-CB 3.9Å; D477-Q480 HydrophobicContact CB-CG 4.4Å; P478-Q480 PolarHBondContact O-N 3.41Å | ||
| 481 | Q | 89 | Confident | 90.9 | Very high | 111 Ų | 111 | 26.1 Ų | 26.1 | 52% | 0.519 | 14% | 0.144 | S | C | . | . | trans | -117.6 | 137.9 | -176.7 | -63.9 | -178.1 | 63.7 | 0 | 0 | 110.9 | W363 H365 | W363-Q481 VanDerWaalsContact O-CA 3.29Å; W363-Q481 WeakPolarHBondContact O-CA 3.45Å; H365-Q481 HydrophobicContact CB-CG 3.89Å | ||
| 482 | G | 88.4 | Confident | 90.5 | Very high | 22 Ų | 22 | 28 Ų | 28 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 160.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S362 W363 | S362-G482 CarbonylContact C-O 3.43Å; S362-G482 VanDerWaalsContact CA-O 3.26Å; S362-G482 WeakPolarHBondContact CA-O 3.37Å; W363-G482 PolarHBondContact N-O 2.84Å; W363-G482 PolarHBondContact O-N 2.87Å |
| 483 | E | 91.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 30.8 Ų | 30.8 | 43% | 0.425 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 147.7 | 172.4 | -63 | -178.3 | 123.5 | 0 | 0 | 109.6 | F128 G361 Q408 K409 | F128-E483 HydrophobicContact CZ-CB 4.16Å; G361-E483 CarbonylContact O-C 3.55Å; G361-E483 WeakPolarHBondContact O-CA 3.3Å; Q408-E483 WeakPolarHBondContact CA-O 3.34Å; K409-E483 HydrophobicContact CB-CB 3.97Å; K409-E483 HydrophobicContact CD-CB 4.11Å; K409-E483 WeakPolarHBondContact CD-OE2 3.1Å; K409-E483 WeakPolarHBondContact CE-OE2 3.48Å; K409-E483 PolarHBondContact N-O 2.57Å; K409-E483 IonicContact NZ-OE2 3.28Å; K409-E483 PolarHBondContact NZ-OE2 2.68Å |
| 484 | F | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 162.6 | 176.5 | 70.9 | -102.3 | 0 | 0 | 0 | 113.3 | F128 G361 W363 Q389 Y391 L406 Q407 P473 L486 | F128-F484 WeakPolarHBondContact CZ-O 3.41Å; G361-F484 PolarHBondContact N-O 3.39Å; G361-F484 PolarHBondContact O-N 3.16Å; W363-F484 AromaticContact CD2-CD1 3.68Å; W363-F484 HydrophobicContact CD2-CD1 3.68Å; W363-F484 HydrophobicContact CD2-CE1 4Å; W363-F484 AromaticContact CE2-CD1 3.37Å; W363-F484 AromaticContact CE2-CE1 3.5Å; W363-F484 AromaticContact CE3-CD1 3.93Å; W363-F484 HydrophobicContact CE3-CD1 3.93Å; W363-F484 HydrophobicContact CG-CD1 4.37Å; W363-F484 HydrophobicContact CG-CE1 4.32Å; W363-F484 HydrophobicContact CH2-CB 3.64Å; W363-F484 AromaticContact CH2-CD1 3.63Å; W363-F484 HydrophobicContact CH2-CD1 3.63Å; W363-F484 HydrophobicContact CH2-CE1 4.49Å; W363-F484 AromaticContact CH2-CG 3.92Å; W363-F484 HydrophobicContact CH2-CG 3.92Å; W363-F484 HydrophobicContact CZ2-CB 4.17Å; W363-F484 AromaticContact CZ2-CD1 3.37Å; W363-F484 HydrophobicContact CZ2-CD1 3.37Å; W363-F484 AromaticContact CZ2-CE1 3.79Å; W363-F484 HydrophobicContact CZ2-CE1 3.79Å; W363-F484 AromaticContact CZ2-CG 3.93Å; W363-F484 HydrophobicContact CZ2-CG 3.93Å; W363-F484 HydrophobicContact CZ3-CB 3.94Å; W363-F484 AromaticContact CZ3-CD1 3.91Å; W363-F484 HydrophobicContact CZ3-CD1 3.91Å; W363-F484 HydrophobicContact CZ3-CG 4.38Å; W363-F484 AromaticContact NE1-CD1 3.91Å; W363-F484 AromaticContact NE1-CE1 3.52Å; Q389-F484 HydrophobicContact CB-CZ 3.87Å; Q389-F484 HydrophobicContact CG-CZ 4.2Å; Q389-F484 VanDerWaalsContact NE2-CE1 3.33Å; Y391-F484 HydrophobicContact CE2-CE2 4.03Å; Y391-F484 HydrophobicContact CE2-CZ 4.29Å; L406-F484 HydrophobicContact CD1-CB 3.99Å; L406-F484 HydrophobicContact CD1-CD2 3.38Å; L406-F484 HydrophobicContact CD1-CE2 3.91Å; L406-F484 HydrophobicContact CD1-CG 3.83Å; Q407-F484 CarbonylContact O-C 3.42Å; Q407-F484 WeakPolarHBondContact O-CA 3.5Å; Q407-F484 VanDerWaalsContact O-CB 3.24Å; Q407-F484 WeakPolarHBondContact O-CB 3.44Å; P473-F484 HydrophobicContact CB-CE1 4.4Å; P473-F484 HydrophobicContact CB-CE2 3.89Å; P473-F484 HydrophobicContact CB-CZ 3.73Å; P473-F484 HydrophobicContact CG-CE1 4.07Å; P473-F484 HydrophobicContact CG-CE2 3.48Å; P473-F484 VanDerWaalsContact CG-CE2 3.48Å; P473-F484 HydrophobicContact CG-CZ 3.13Å; F484-L486 HydrophobicContact CD2-CB 4.49Å; F484-L486 HydrophobicContact CE2-CB 4.31Å |
| 485 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.9 | 176.3 | -175.3 | 76.5 | 0 | 0 | 0 | 107.7 | W126 F128 V358 M359 R360 Q407 R487 | W126-L485 HydrophobicContact CH2-CD2 4.11Å; W126-L485 HydrophobicContact CZ2-CD2 4.41Å; F128-L485 HydrophobicContact CD2-CB 4.08Å; F128-L485 HydrophobicContact CE2-CB 3.74Å; F128-L485 HydrophobicContact CZ-CB 4.03Å; V358-L485 HydrophobicContact CG1-CD1 3.46Å; V358-L485 VanDerWaalsContact CG1-CD1 3.46Å; V358-L485 HydrophobicContact CG1-CG 4.23Å; M359-L485 WeakPolarHBondContact O-CA 3.43Å; R360-L485 HydrophobicContact CG-CD1 3.76Å; Q407-L485 HydrophobicContact CB-CB 4.38Å; Q407-L485 PolarHBondContact N-O 2.79Å; Q407-L485 PolarHBondContact O-N 2.93Å; L485-R487 HydrophobicContact CD2-CG 4.23Å; L485-R487 HydrophobicContact CG-CG 4.29Å |
| 486 | L | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.3 | 173 | 179.1 | 71.4 | 0 | 0 | 0 | 108.5 | M359 Y391 I404 L406 I471 F484 V488 | M359-L486 HydrophobicContact CB-CB 4.21Å; M359-L486 PolarHBondContact N-O 3.3Å; M359-L486 PolarHBondContact O-N 2.9Å; Y391-L486 HydrophobicContact CD2-CD2 3.3Å; Y391-L486 HydrophobicContact CE2-CB 4.48Å; Y391-L486 HydrophobicContact CE2-CD2 3.75Å; Y391-L486 HydrophobicContact CG-CD2 3.85Å; I404-L486 HydrophobicContact CG2-CD1 3.54Å; L406-L486 HydrophobicContact CB-CD1 4.34Å; L406-L486 HydrophobicContact CD1-CD1 4.41Å; I471-L486 HydrophobicContact CB-CD2 4.35Å; I471-L486 HydrophobicContact CD1-CD2 4.28Å; I471-L486 HydrophobicContact CG2-CD1 4.35Å; I471-L486 HydrophobicContact CG2-CD2 4.07Å; F484-L486 HydrophobicContact CD2-CB 4.49Å; F484-L486 HydrophobicContact CE2-CB 4.31Å; L486-V488 HydrophobicContact CD2-CG2 4.31Å; L486-V488 HydrophobicContact CG-CG2 4.17Å |
| 487 | R | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.8 | 173.3 | -59.5 | -173.2 | -60.2 | 176.7 | -4.1 | 109.4 | G191 G192 E356 E357 V358 I404 C405 L485 F489 | G191-R487 PolarHBondContact O-NH1 2.92Å; G192-R487 PolarHBondContact O-NH1 2.92Å; G192-R487 PolarHBondContact O-NH2 3.34Å; E356-R487 WeakPolarHBondContact OE1-CD 3.34Å; E357-R487 WeakPolarHBondContact O-CA 3.44Å; V358-R487 HydrophobicContact CG1-CG 4.5Å; V358-R487 HydrophobicContact CG2-CG 4.39Å; I404-R487 WeakPolarHBondContact CA-O 3.45Å; C405-R487 PolarHBondContact N-O 2.98Å; C405-R487 PolarHBondContact O-N 3.05Å; L485-R487 HydrophobicContact CD2-CG 4.23Å; L485-R487 HydrophobicContact CG-CG 4.29Å; R487-F489 HydrophobicContact CB-CE2 3.71Å; R487-F489 HydrophobicContact CB-CZ 3.95Å |
| 488 | V | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.5 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | E357 V402 I404 I471 L486 T490 | E357-V488 PolarHBondContact N-O 2.98Å; E357-V488 PolarHBondContact O-N 3.14Å; V402-V488 HydrophobicContact CG1-CG1 4.09Å; I404-V488 HydrophobicContact CG1-CG1 4.29Å; I404-V488 HydrophobicContact CG1-CG2 4.43Å; I471-V488 HydrophobicContact CD1-CG2 3.63Å; L486-V488 HydrophobicContact CD2-CG2 4.31Å; L486-V488 HydrophobicContact CG-CG2 4.17Å; V488-T490 HydrophobicContact CG1-CG2 4.31Å |
| 489 | F | 91.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.6 | 178.3 | -53.4 | -89.5 | 0 | 0 | 0 | 110 | V193 I343 W354 E355 E356 L403 R487 | V193-F489 HydrophobicContact CG2-CD2 4.27Å; V193-F489 HydrophobicContact CG2-CE1 4.46Å; V193-F489 HydrophobicContact CG2-CE2 3.38Å; V193-F489 HydrophobicContact CG2-CZ 3.49Å; V193-F489 VanDerWaalsContact CG2-CZ 3.49Å; I343-F489 HydrophobicContact CB-CD1 4.22Å; I343-F489 HydrophobicContact CB-CE1 3.98Å; I343-F489 HydrophobicContact CG1-CD1 4.17Å; I343-F489 HydrophobicContact CG1-CE1 3.93Å; I343-F489 HydrophobicContact CG1-CZ 4.21Å; I343-F489 HydrophobicContact CG2-CD1 3.61Å; I343-F489 HydrophobicContact CG2-CE1 3.84Å; I343-F489 HydrophobicContact CG2-CG 4.44Å; W354-F489 HydrophobicContact CD2-CB 4.45Å; W354-F489 HydrophobicContact CE3-CB 3.85Å; W354-F489 HydrophobicContact CZ3-CB 4.47Å; E355-F489 WeakPolarHBondContact O-CA 3.35Å; E356-F489 HydrophobicContact CB-CD1 3.81Å; E356-F489 HydrophobicContact CB-CE1 3.68Å; E356-F489 VanDerWaalsContact CD-CE1 3.49Å; E356-F489 HydrophobicContact CG-CD1 3.95Å; E356-F489 HydrophobicContact CG-CE1 3.4Å; E356-F489 HydrophobicContact CG-CZ 3.99Å; E356-F489 WeakPolarHBondContact OE1-CZ 3.31Å; L403-F489 HydrophobicContact CB-CB 4.08Å; L403-F489 HydrophobicContact CB-CD2 4.14Å; L403-F489 HydrophobicContact CG-CB 4.47Å; L403-F489 PolarHBondContact N-O 2.69Å; L403-F489 PolarHBondContact O-N 3.47Å; R487-F489 HydrophobicContact CB-CE2 3.71Å; R487-F489 HydrophobicContact CB-CZ 3.95Å |
| 490 | T | 89.6 | Confident | 89.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 159.9 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | E355 V402 V488 V492 S494 | E355-T490 PolarHBondContact N-O 3.03Å; E355-T490 PolarHBondContact O-N 2.97Å; E355-T490 VanDerWaalsContact O-N 3.13Å; V402-T490 HydrophobicContact CG1-CG2 4.06Å; V402-T490 HydrophobicContact CG2-CG2 4.13Å; V488-T490 HydrophobicContact CG1-CG2 4.31Å; T490-V492 WeakPolarHBondContact CB-O 3.33Å; T490-V492 PolarHBondContact O-N 2.86Å; T490-V492 PolarHBondContact OG1-O 2.88Å; T490-S494 WeakPolarHBondContact OG1-CB 3.25Å |
| 491 | D | 84.8 | Confident | 89.3 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -73.7 | -22.4 | 179.9 | -76.1 | 9 | 0 | 0 | 0 | 112.9 | K352 W354 K397 D400 | K352-D491 WeakPolarHBondContact CE-OD1 3.36Å; K352-D491 VanDerWaalsContact CE-OD2 3.24Å; K352-D491 WeakPolarHBondContact CE-OD2 3.45Å; K352-D491 IonicContact NZ-OD1 3.28Å; K352-D491 PolarHBondContact NZ-OD1 3.1Å; K352-D491 IonicContact NZ-OD2 2.79Å; K352-D491 PolarHBondContact NZ-OD2 3.1Å; W354-D491 WeakPolarHBondContact CZ3-OD1 3.42Å; K397-D491 HydrophobicContact CD-CB 4.39Å; K397-D491 VanDerWaalsContact NZ-CG 3.34Å; K397-D491 IonicContact NZ-OD2 2.76Å; K397-D491 PolarHBondContact NZ-OD2 2.87Å; D400-D491 VanDerWaalsContact OD1-CB 3.29Å; D400-D491 WeakPolarHBondContact OD1-CB 3.19Å; D400-D491 PolarHBondContact OD2-N 3.13Å |
| 492 | V | 86.1 | Confident | 89 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 24% | 0.242 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -134.4 | 158 | -178.8 | -67.6 | 0 | 0 | 0 | 0 | 109.4 | K396 K397 T490 S494 | K396-V492 HydrophobicContact CB-CG2 4.04Å; K397-V492 HydrophobicContact CG-CG2 4.41Å; T490-V492 WeakPolarHBondContact CB-O 3.33Å; T490-V492 PolarHBondContact O-N 2.86Å; T490-V492 PolarHBondContact OG1-O 2.88Å; V492-S494 PolarHBondContact O-N 2.74Å |
| 493 | P | 85.5 | Confident | 88.7 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 38% | 0.377 | 20% | 0.198 | S | C | . | . | trans | -57.3 | 123.8 | -179.3 | -26.4 | 34.5 | 0 | 0 | 0 | 111.2 | E355 K396 | E355-P493 HydrophobicContact CG-CG 3.99Å; K396-P493 WeakPolarHBondContact CD-O 3.5Å; K396-P493 VanDerWaalsContact CE-O 3.3Å; K396-P493 WeakPolarHBondContact CE-O 3.19Å; K396-P493 PolarHBondContact NZ-O 3.41Å | ||
| 494 | S | 86.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -96.7 | 0.2 | -172.7 | 60 | 0 | 0 | 0 | 0 | 114.1 | D394 T490 V492 C496 | D394-S494 PolarHBondContact N-O 2.82Å; D394-S494 WeakPolarHBondContact O-CA 3.43Å; D394-S494 WeakPolarHBondContact O-CB 3.42Å; T490-S494 WeakPolarHBondContact OG1-CB 3.25Å; V492-S494 PolarHBondContact O-N 2.74Å; S494-C496 PolarHBondContact O-N 3.05Å | ||
| 495 | D | 88.2 | Confident | 87.9 | Confident | 90 Ų | 90 | 36.9 Ų | 36.9 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | trans | 51.3 | 38.5 | -178.7 | -59 | -47.9 | 0 | 0 | 0 | 112.6 | K396 K497 | K396-D495 WeakPolarHBondContact CE-OD2 3.28Å; K396-D495 IonicContact NZ-OD1 2.72Å; K396-D495 IonicContact NZ-OD2 3.3Å; K396-D495 PolarHBondContact NZ-OD2 2.91Å; D495-K497 PolarHBondContact O-N 2.65Å | ||
| 496 | C | 90.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -63.2 | 129 | -174.1 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | E357 M359 V392 F393 S494 | E357-C496 HydrophobicContact CB-CB 3.75Å; E357-C496 HydrophobicContact CG-CB 3.69Å; M359-C496 VanDerWaalsContact CE-C 3.46Å; M359-C496 HydrophobicContact CE-CB 4.24Å; M359-C496 WeakPolarHBondContact CE-O 3.29Å; V392-C496 CarbonylContact O-C 3.56Å; V392-C496 VanDerWaalsContact O-CA 3.24Å; V392-C496 WeakPolarHBondContact O-CA 3.4Å; F393-C496 HydrophobicContact CB-CB 4.14Å; S494-C496 PolarHBondContact O-N 3.05Å | ||
| 497 | K | 91.1 | Very high | 86.4 | Confident | 103 Ų | 103 | 47.8 Ų | 47.8 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.9 | 179.2 | 65.3 | -173.1 | 177.4 | -169.9 | 0 | 113.2 | M359 Y391 V392 D495 | M359-K497 VanDerWaalsContact CE-CA 3.46Å; Y391-K497 CarbonylContact C-O 3.5Å; Y391-K497 WeakPolarHBondContact CA-O 3.43Å; V392-K497 HydrophobicContact CG1-CD 4.29Å; V392-K497 HydrophobicContact CG1-CG 3.43Å; V392-K497 VanDerWaalsContact CG1-CG 3.43Å; V392-K497 WeakPolarHBondContact CG1-O 3.38Å; V392-K497 PolarHBondContact N-O 2.68Å; V392-K497 PolarHBondContact O-N 2.86Å; D495-K497 PolarHBondContact O-N 2.65Å |
| 498 | E | 91.1 | Very high | 85.3 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.7 | 174.2 | -168.9 | -179.8 | 178.5 | 0 | 0 | 111.7 | Q389 Y391 T500 | Q389-E498 WeakPolarHBondContact CG-OE1 3.31Å; Y391-E498 HydrophobicContact CD1-CB 3.96Å; Y391-E498 HydrophobicContact CD1-CG 4.4Å; Y391-E498 HydrophobicContact CE1-CB 3.82Å; Y391-E498 HydrophobicContact CE1-CG 4.09Å; E498-T500 HydrophobicContact CB-CG2 4.24Å; E498-T500 HydrophobicContact CG-CG2 3.91Å; E498-T500 PolarHBondContact O-N 3.02Å |
| 499 | L | 89.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | trans | -85.7 | 98.2 | 169.3 | -58.8 | 177.4 | 0 | 0 | 0 | 109.4 | Q390 V392 R436 K437 R439 V470 | Q390-L499 HydrophobicContact CB-CB 4.23Å; Q390-L499 HydrophobicContact CB-CD1 4.3Å; Q390-L499 WeakPolarHBondContact O-CB 3.44Å; Q390-L499 WeakPolarHBondContact O-CG 3.32Å; Q390-L499 PolarHBondContact O-N 2.92Å; V392-L499 HydrophobicContact CB-CD1 4.17Å; V392-L499 HydrophobicContact CB-CD2 4.11Å; V392-L499 HydrophobicContact CB-CG 4.1Å; V392-L499 HydrophobicContact CG1-CD2 3.69Å; V392-L499 HydrophobicContact CG1-CG 4.1Å; R436-L499 HydrophobicContact CG-CD1 4.34Å; K437-L499 WeakPolarHBondContact O-CD2 3.3Å; R439-L499 WeakPolarHBondContact CD-O 3.28Å; R439-L499 HydrophobicContact CG-CB 4.02Å; R439-L499 WeakPolarHBondContact CG-O 3.24Å; R439-L499 PolarHBondContact NH1-O 3.26Å; R439-L499 VanDerWaalsContact NH1-O 3.08Å; V470-L499 HydrophobicContact CG2-CD1 3.98Å | ||
| 500 | T | 85.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | trans | -96.2 | -24.4 | -175.8 | 55.1 | 0 | 0 | 0 | 0 | 114 | E498 | E498-T500 HydrophobicContact CB-CG2 4.24Å; E498-T500 HydrophobicContact CG-CG2 3.91Å; E498-T500 PolarHBondContact O-N 3.02Å | ||
| 501 | L | 85.4 | Confident | 81.9 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | trans | -95.6 | 134.2 | -176.6 | -62.5 | 176.9 | 0 | 0 | 0 | 111.1 | Y438 R439 P505 | Y438-L501 WeakPolarHBondContact CA-O 3.23Å; Y438-L501 WeakPolarHBondContact CB-O 3.35Å; Y438-L501 HydrophobicContact CD1-CB 3.75Å; Y438-L501 HydrophobicContact CE1-CB 4.22Å; Y438-L501 HydrophobicContact CE1-CD1 4.28Å; R439-L501 WeakPolarHBondContact CG-O 3.48Å; R439-L501 PolarHBondContact N-O 2.97Å; L501-P505 HydrophobicContact CD1-CG 4.36Å | ||
| 502 | D | 82 | Confident | 80.9 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -78.7 | -34.5 | 177.8 | -63.7 | -66.6 | 0 | 0 | 0 | 112.5 | R439 H441 T641 | R439-D502 VanDerWaalsContact CD-OD1 3.25Å; R439-D502 WeakPolarHBondContact CD-OD1 3.2Å; R439-D502 IonicContact NE-OD1 3.5Å; R439-D502 PolarHBondContact NE-OD1 2.75Å; H441-D502 IonicContact CE1-OD1 2.75Å; H441-D502 PolarHBondContact CE1-OD1 3.17Å; H441-D502 PolarHBondContact NE2-O 3.49Å; H441-D502 VanDerWaalsContact NE2-O 3.15Å; H441-D502 IonicContact NE2-OD1 3.61Å; D502-T641 HydrophobicContact CB-CG2 4.47Å |
| 503 | D | 81.9 | Confident | 80.1 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -149.2 | 173.3 | -179 | 66.5 | 8.7 | 0 | 0 | 0 | 111.5 | Y438 L640 T641 | Y438-D503 WeakPolarHBondContact CD1-O 3.23Å; Y438-D503 VanDerWaalsContact CE1-C 3.49Å; Y438-D503 VanDerWaalsContact CE1-O 3.25Å; Y438-D503 WeakPolarHBondContact CE1-O 3.31Å; D503-L640 HydrophobicContact CB-CB 4.4Å; D503-T641 HydrophobicContact CB-CG2 4.37Å |
| 504 | P | 84.4 | Confident | 79.6 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 8% | 0.078 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 125.5 | 174.2 | -25.4 | 34.7 | 0 | 0 | 0 | 111.5 | Y438 Y515 P516 Y572 | Y438-P504 HydrophobicContact CE1-CB 4.49Å; Y438-P504 HydrophobicContact CE1-CG 4.4Å; Y438-P504 HydrophobicContact CE2-CG 3.78Å; Y438-P504 WeakPolarHBondContact OH-CA 3.45Å; P504-Y515 VanDerWaalsContact O-CE2 3.23Å; P504-Y515 WeakPolarHBondContact O-CE2 2.76Å; P504-Y515 PolarHBondContact O-OH 3.32Å; P504-P516 HydrophobicContact CB-CG 4.3Å; P504-P516 HydrophobicContact CG-CG 4.2Å; P504-Y572 VanDerWaalsContact CD-CD1 3.49Å; P504-Y572 VanDerWaalsContact CD-CE1 3.42Å; P504-Y572 HydrophobicContact CG-CD1 3.37Å; P504-Y572 HydrophobicContact CG-CD2 4.16Å; P504-Y572 HydrophobicContact CG-CE1 3.8Å; P504-Y572 HydrophobicContact CG-CG 3.56Å |
| 505 | P | 82.8 | Confident | 79.5 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 142.3 | -176.3 | 27.5 | -34 | 0 | 0 | 0 | 110.8 | L501 T507 | L501-P505 HydrophobicContact CD1-CG 4.36Å; P505-T507 PolarHBondContact O-N 3.32Å |
| 506 | Q | 79.3 | Confident | 79.4 | Confident | 151 Ų | 151 | 70.6 Ų | 70.6 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -72 | 123.4 | 167.7 | -64.7 | -167.5 | 1.8 | 0 | 0 | 109.1 | Y515 | Q506-Y515 HydrophobicContact CG-CD2 3.91Å; Q506-Y515 HydrophobicContact CG-CE2 3.58Å |
| 507 | T | 74.7 | Confident | 79.3 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -110.3 | 166.1 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 109.5 | P505 W509 T510 | P505-T507 PolarHBondContact O-N 3.32Å; T507-W509 PolarHBondContact O-N 2.71Å; T507-T510 PolarHBondContact N-OG1 2.75Å; T507-T510 WeakPolarHBondContact O-CB 3.24Å; T507-T510 PolarHBondContact O-N 3.42Å; T507-T510 PolarHBondContact O-OG1 3.07Å; T507-T510 PolarHBondContact OG1-OG1 3.16Å | ||
| 508 | C | 70.1 | Confident | 79.2 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 78% | 0.784 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.5 | 174.7 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 509 | W | 66.5 | Low | 79.1 | Confident | 158 Ų | 158 | 67.7 Ų | 67.7 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -6 | 176.2 | -56.4 | 97.9 | 0 | 0 | 0 | 113.6 | T507 G511 M512 C513 | T507-W509 PolarHBondContact O-N 2.71Å; W509-G511 PolarHBondContact O-N 3.45Å; W509-M512 HydrophobicContact CD2-CE 4.37Å; W509-M512 HydrophobicContact CE3-CE 3.28Å; W509-M512 HydrophobicContact CH2-CE 4.44Å; W509-M512 HydrophobicContact CZ3-CE 3.33Å; W509-M512 PolarHBondContact O-N 2.72Å; W509-C513 WeakPolarHBondContact O-CB 3.31Å; W509-C513 PolarHBondContact O-N 3.24Å |
| 510 | T | 71.4 | Confident | 79.2 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.2 | -32.2 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | T507 M512 G514 Y515 | T507-T510 PolarHBondContact N-OG1 2.75Å; T507-T510 WeakPolarHBondContact O-CB 3.24Å; T507-T510 PolarHBondContact O-N 3.42Å; T507-T510 PolarHBondContact O-OG1 3.07Å; T507-T510 PolarHBondContact OG1-OG1 3.16Å; T510-M512 VanDerWaalsContact C-N 3.32Å; T510-M512 PolarHBondContact O-N 2.8Å; T510-G514 CarbonylContact O-C 3.6Å; T510-G514 WeakPolarHBondContact O-CA 3.26Å; T510-G514 PolarHBondContact O-N 3.43Å; T510-G514 VanDerWaalsContact O-N 3.1Å; T510-Y515 HydrophobicContact CG2-CD2 3.69Å; T510-Y515 HydrophobicContact CG2-CG 4.04Å |
| 511 | G | 63.7 | Low | 79.5 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 84% | 0.835 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.3 | -26.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W509 | W509-G511 PolarHBondContact O-N 3.45Å |
| 512 | M | 64.4 | Low | 79.9 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -99.7 | -36.3 | -180 | -72.2 | -173.2 | -78 | 0 | 0 | 113 | W509 T510 | W509-M512 HydrophobicContact CD2-CE 4.37Å; W509-M512 HydrophobicContact CE3-CE 3.28Å; W509-M512 HydrophobicContact CH2-CE 4.44Å; W509-M512 HydrophobicContact CZ3-CE 3.33Å; W509-M512 PolarHBondContact O-N 2.72Å; T510-M512 VanDerWaalsContact C-N 3.32Å; T510-M512 PolarHBondContact O-N 2.8Å |
| 513 | C | 69.3 | Low | 80.4 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -96.1 | -1.3 | -174.9 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | W509 K574 | W509-C513 WeakPolarHBondContact O-CB 3.31Å; W509-C513 PolarHBondContact O-N 3.24Å; C513-K574 WeakPolarHBondContact O-CD 3.46Å; C513-K574 PolarHBondContact O-NZ 2.97Å |
| 514 | G | 75.4 | Confident | 81 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | trans | 72.7 | 151.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T510 K574 | T510-G514 CarbonylContact O-C 3.6Å; T510-G514 WeakPolarHBondContact O-CA 3.26Å; T510-G514 PolarHBondContact O-N 3.43Å; T510-G514 VanDerWaalsContact O-N 3.1Å; G514-K574 WeakPolarHBondContact O-CE 3.45Å; G514-K574 PolarHBondContact O-NZ 3.49Å; G514-K574 VanDerWaalsContact O-NZ 3.14Å | ||
| 515 | Y | 84.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 56 Ų | 56 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | trans | -100.2 | 145 | 172.7 | -165.8 | -110.9 | 0 | 0 | 0 | 110.5 | P504 Q506 T510 Q517 L640 | P504-Y515 VanDerWaalsContact O-CE2 3.23Å; P504-Y515 WeakPolarHBondContact O-CE2 2.76Å; P504-Y515 PolarHBondContact O-OH 3.32Å; Q506-Y515 HydrophobicContact CG-CD2 3.91Å; Q506-Y515 HydrophobicContact CG-CE2 3.58Å; T510-Y515 HydrophobicContact CG2-CD2 3.69Å; T510-Y515 HydrophobicContact CG2-CG 4.04Å; Y515-Q517 PolarHBondContact O-N 2.56Å; Y515-L640 HydrophobicContact CD1-CD1 4.47Å; Y515-L640 HydrophobicContact CE1-CD1 3.55Å | ||
| 516 | P | 85.8 | Confident | 82 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -54.5 | 132 | 172.7 | -26.8 | 37.2 | 0 | 0 | 0 | 111.9 | P504 R573 K574 L640 | P504-P516 HydrophobicContact CB-CG 4.3Å; P504-P516 HydrophobicContact CG-CG 4.2Å; P516-R573 CarbonylContact C-O 3.3Å; P516-R573 WeakPolarHBondContact CA-O 3.48Å; P516-K574 HydrophobicContact CG-CG 4.41Å; P516-L640 HydrophobicContact CB-CD1 4.18Å; P516-L640 HydrophobicContact CB-CD2 4.24Å | ||
| 517 | Q | 87.2 | Confident | 82.6 | Confident | 123 Ų | 123 | 46.8 Ų | 46.8 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | trans | -105 | -21.7 | 179.1 | -61.9 | -175.6 | -0.1 | 0 | 0 | 112.1 | Y515 R573 P576 | Y515-Q517 PolarHBondContact O-N 2.56Å; Q517-R573 PolarHBondContact N-O 2.87Å; Q517-P576 HydrophobicContact CB-CG 4.5Å | ||
| 518 | L | 88.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.5 | -179.3 | -62.9 | 173.7 | 0 | 0 | 0 | 109.8 | R573 P576 P604 T636 S637 T638 | L518-R573 HydrophobicContact CB-CB 4.35Å; L518-R573 PolarHBondContact N-O 2.97Å; L518-R573 PolarHBondContact O-N 3.39Å; L518-P576 HydrophobicContact CD1-CB 3.5Å; L518-P576 HydrophobicContact CD1-CG 3.69Å; L518-P576 HydrophobicContact CG-CB 4.49Å; L518-P576 HydrophobicContact CG-CG 4.18Å; L518-P604 HydrophobicContact CD2-CB 4.11Å; L518-P604 HydrophobicContact CD2-CG 4.12Å; L518-T636 HydrophobicContact CB-CG2 4.26Å; L518-T636 HydrophobicContact CD1-CG2 4.17Å; L518-T636 HydrophobicContact CD2-CG2 4.27Å; L518-T636 HydrophobicContact CG-CG2 4.49Å; L518-S637 WeakPolarHBondContact CA-O 3.21Å; L518-T638 HydrophobicContact CD2-CG2 3.61Å |
| 519 | V | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.3 | 164 | 64.5 | 0 | 0 | 0 | 0 | 108.5 | L570 F571 Y572 T636 S637 T639 L640 I643 | V519-L570 HydrophobicContact CG2-CD1 3.58Å; V519-L570 HydrophobicContact CG2-CG 4.14Å; V519-F571 WeakPolarHBondContact CA-O 3.47Å; V519-Y572 HydrophobicContact CB-CD1 4.26Å; V519-Y572 HydrophobicContact CB-CE1 4.27Å; V519-Y572 HydrophobicContact CG2-CD1 4.03Å; V519-Y572 HydrophobicContact CG2-CE1 3.82Å; V519-Y572 HydrophobicContact CG2-CE2 4.34Å; V519-Y572 HydrophobicContact CG2-CG 4.41Å; V519-T636 WeakPolarHBondContact O-CA 3.41Å; V519-S637 PolarHBondContact N-O 2.8Å; V519-S637 PolarHBondContact O-N 3.34Å; V519-T639 WeakPolarHBondContact CG1-O 3.47Å; V519-L640 HydrophobicContact CB-CD2 4.19Å; V519-I643 HydrophobicContact CB-CD1 4.26Å; V519-I643 HydrophobicContact CG1-CD1 3.63Å; V519-I643 HydrophobicContact CG1-CG1 3.83Å; V519-I643 HydrophobicContact CG2-CD1 3.96Å; V519-I643 HydrophobicContact CG2-CG1 4.46Å |
| 520 | T | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.5 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | V522 F571 R573 I580 L634 F635 T636 | T520-V522 HydrophobicContact CG2-CG2 4.07Å; T520-F571 PolarHBondContact N-O 2.82Å; T520-F571 PolarHBondContact O-N 3.47Å; T520-R573 WeakPolarHBondContact OG1-CD 3.49Å; T520-R573 PolarHBondContact OG1-NH1 3.48Å; T520-R573 VanDerWaalsContact OG1-NH1 3.1Å; T520-I580 HydrophobicContact CG2-CD1 3.58Å; T520-L634 HydrophobicContact CG2-CD2 4.34Å; T520-F635 CarbonylContact C-O 3.52Å; T520-F635 VanDerWaalsContact CA-O 3.29Å; T520-F635 WeakPolarHBondContact CA-O 3.5Å; T520-T636 VanDerWaalsContact CG2-OG1 3.28Å; T520-T636 WeakPolarHBondContact CG2-OG1 3.25Å; T520-T636 WeakPolarHBondContact OG1-CG2 3.19Å; T520-T636 PolarHBondContact OG1-OG1 3.22Å |
| 521 | Q | 92.1 | Very high | 85.8 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.2 | 165.9 | -166.2 | -172.4 | 61.6 | 0 | 0 | 109.1 | E433 G569 L570 F635 I643 | E433-Q521 HydrophobicContact CG-CG 4.13Å; E433-Q521 PolarHBondContact OE1-NE2 3.03Å; Q521-G569 CarbonylContact C-O 3.57Å; Q521-G569 WeakPolarHBondContact CA-O 3.36Å; Q521-L570 HydrophobicContact CB-CD1 4.31Å; Q521-F635 HydrophobicContact CB-CB 4.36Å; Q521-F635 PolarHBondContact N-O 3.48Å; Q521-F635 PolarHBondContact O-N 3.31Å; Q521-I643 HydrophobicContact CB-CD1 3.98Å; Q521-I643 HydrophobicContact CB-CG2 3.94Å; Q521-I643 HydrophobicContact CG-CG2 4.26Å |
| 522 | V | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.9 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | T520 V524 I545 K568 G569 F571 I580 I582 L634 | T520-V522 HydrophobicContact CG2-CG2 4.07Å; V522-V524 HydrophobicContact CG1-CG2 4.34Å; V522-I545 HydrophobicContact CB-CD1 4.24Å; V522-I545 HydrophobicContact CB-CG2 4.24Å; V522-I545 HydrophobicContact CG1-CD1 4.03Å; V522-I545 HydrophobicContact CG1-CG2 4.11Å; V522-I545 HydrophobicContact CG2-CG2 4.26Å; V522-K568 CarbonylContact O-C 3.59Å; V522-K568 VanDerWaalsContact O-CA 3.25Å; V522-K568 WeakPolarHBondContact O-CA 3.41Å; V522-G569 PolarHBondContact N-O 3.13Å; V522-G569 PolarHBondContact O-N 2.96Å; V522-F571 HydrophobicContact CB-CE2 4.4Å; V522-F571 HydrophobicContact CG2-CD2 4.01Å; V522-F571 HydrophobicContact CG2-CE2 3.98Å; V522-I580 HydrophobicContact CG2-CD1 4.05Å; V522-I580 HydrophobicContact CG2-CG2 3.98Å; V522-I582 HydrophobicContact CG1-CD1 3.73Å; V522-I582 HydrophobicContact CG1-CG1 4.47Å; V522-L634 HydrophobicContact CB-CD2 4.25Å; V522-L634 HydrophobicContact CG1-CD2 4.06Å; V522-L634 HydrophobicContact CG2-CD2 3.8Å |
| 523 | H | 93.6 | Very high | 86.9 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.3 | 175 | -178.8 | -168.6 | 0 | 0 | 0 | 108.9 | D566 I567 K568 V632 R633 | H523-D566 IonicContact CD2-OD1 2.76Å; H523-D566 IonicContact CE1-OD1 3.9Å; H523-D566 PolarHBondContact CE1-OD1 3.36Å; H523-D566 IonicContact NE2-OD1 3.93Å; H523-D566 PolarHBondContact NE2-OD1 3.25Å; H523-I567 WeakPolarHBondContact CA-O 3.39Å; H523-I567 PolarHBondContact CD2-O 3.01Å; H523-K568 HydrophobicContact CB-CG 3.92Å; H523-V632 CarbonylContact O-C 3.58Å; H523-V632 VanDerWaalsContact O-CA 3.29Å; H523-V632 WeakPolarHBondContact O-CA 3.26Å; H523-R633 HydrophobicContact CB-CB 4.17Å; H523-R633 PolarHBondContact N-O 3.05Å; H523-R633 PolarHBondContact O-N 3.46Å |
| 524 | V | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 111.5 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | V522 V543 I545 F565 D566 I567 I582 L630 V632 | V522-V524 HydrophobicContact CG1-CG2 4.34Å; V524-V543 HydrophobicContact CG1-CG1 4.43Å; V524-V543 HydrophobicContact CG1-CG2 4.34Å; V524-V543 HydrophobicContact CG2-CG1 4.33Å; V524-I545 HydrophobicContact CG2-CD1 3.75Å; V524-I545 HydrophobicContact CG2-CG1 4.02Å; V524-F565 HydrophobicContact CG1-CB 4.31Å; V524-F565 HydrophobicContact CG1-CD2 3.97Å; V524-F565 HydrophobicContact CG1-CG 4.45Å; V524-D566 WeakPolarHBondContact O-CA 3.39Å; V524-D566 PolarHBondContact O-N 2.7Å; V524-I567 HydrophobicContact CB-CD1 4.26Å; V524-I567 HydrophobicContact CB-CG1 4.12Å; V524-I567 HydrophobicContact CG2-CD1 4.42Å; V524-I567 PolarHBondContact N-O 3.49Å; V524-I567 PolarHBondContact O-N 3Å; V524-I582 HydrophobicContact CG2-CD1 4.08Å; V524-I582 HydrophobicContact CG2-CG2 4Å; V524-L630 HydrophobicContact CG1-CD1 3.7Å; V524-L630 HydrophobicContact CG1-CG 4.45Å; V524-V632 HydrophobicContact CG1-CG1 4.48Å; V524-V632 HydrophobicContact CG2-CG1 4.2Å |
| 525 | V | 93.4 | Very high | 86.2 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -64.7 | -172.8 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | N564 F565 D566 T631 R633 | V525-N564 PolarHBondContact O-OD1 3.3Å; V525-N564 VanDerWaalsContact O-OD1 3.05Å; V525-F565 PolarHBondContact O-N 2.65Å; V525-D566 PolarHBondContact O-N 3Å; V525-T631 HydrophobicContact CB-CG2 4.07Å; V525-T631 WeakPolarHBondContact CB-O 3.25Å; V525-T631 HydrophobicContact CG2-CG2 4.33Å; V525-T631 PolarHBondContact N-O 3.23Å; V525-R633 HydrophobicContact CG2-CG 4.27Å |
| 526 | S | 94.2 | Very high | 85.2 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 162.7 | -175.2 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | P563 L630 T631 | S526-P563 CarbonylContact C-O 3.5Å; S526-P563 VanDerWaalsContact CA-O 3.23Å; S526-P563 WeakPolarHBondContact CA-O 3.5Å; S526-P563 WeakPolarHBondContact CB-O 3.3Å; S526-L630 WeakPolarHBondContact O-CD1 3.39Å; S526-T631 PolarHBondContact N-O 3.02Å; S526-T631 PolarHBondContact O-N 3.38Å |
| 527 | A | 93.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L530 C562 P563 F565 I584 M629 L630 | A527-L530 HydrophobicContact CB-CD1 4.25Å; A527-L530 HydrophobicContact CB-CD2 3.93Å; A527-L530 HydrophobicContact CB-CG 4.11Å; A527-C562 CarbonylContact O-C 3.57Å; A527-C562 VanDerWaalsContact O-C 3.25Å; A527-C562 WeakPolarHBondContact O-CA 2.98Å; A527-P563 HydrophobicContact CB-CG 3.87Å; A527-P563 PolarHBondContact N-O 2.83Å; A527-P563 WeakPolarHBondContact O-CD 3.37Å; A527-F565 HydrophobicContact CB-CE2 3.94Å; A527-I584 HydrophobicContact CB-CD1 4.13Å; A527-M629 CarbonylContact C-O 3.51Å; A527-M629 WeakPolarHBondContact CA-O 3.33Å; A527-L630 HydrophobicContact CB-CD1 4.03Å |
| 528 | E | 91.9 | Very high | 83.7 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.4 | 178.9 | -67.5 | -179.9 | -171.3 | 0 | 0 | 110 | G628 M629 | E528-G628 CarbonylContact O-C 3.51Å; E528-G628 WeakPolarHBondContact O-CA 3.2Å; E528-M629 PolarHBondContact N-O 3.49Å; E528-M629 PolarHBondContact O-N 2.97Å |
| 529 | G | 87.1 | Confident | 83.5 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 71.2 | 29.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R561 P627 G628 | G529-R561 PolarHBondContact N-O 3.35Å; G529-R561 VanDerWaalsContact N-O 3.14Å; G529-P627 CarbonylContact O-C 3.44Å; G529-G628 PolarHBondContact O-N 2.76Å |
| 530 | L | 87.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -59 | 143.1 | 176.5 | -64.1 | -177 | 0 | 0 | 0 | 111.7 | A527 G532 V539 R561 P563 I584 L595 L615 | A527-L530 HydrophobicContact CB-CD1 4.25Å; A527-L530 HydrophobicContact CB-CD2 3.93Å; A527-L530 HydrophobicContact CB-CG 4.11Å; L530-G532 PolarHBondContact O-N 3.48Å; L530-V539 HydrophobicContact CD1-CG1 4.46Å; L530-R561 PolarHBondContact N-O 3.3Å; L530-P563 HydrophobicContact CD1-CG 3.61Å; L530-I584 HydrophobicContact CD1-CG2 4.39Å; L530-I584 HydrophobicContact CD2-CD1 4.29Å; L530-L595 HydrophobicContact CD1-CD1 4.27Å; L530-L615 HydrophobicContact CD2-CD1 3.59Å | ||
| 531 | Q | 83.2 | Confident | 83.6 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | trans | -65.7 | 116 | 178.7 | -171.6 | 174.9 | 8.6 | 0 | 0 | 111.4 | Q533 V539 P627 | Q531-Q533 PolarHBondContact O-NE2 3.24Å; Q531-V539 WeakPolarHBondContact O-CG2 3.48Å; Q531-P627 HydrophobicContact CB-CB 4.41Å | ||
| 532 | G | 78.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 24% | 0.237 | 24% | 0.241 | C | C | . | . | trans | -58.9 | 136.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L530 | L530-G532 PolarHBondContact O-N 3.48Š| ||
| 533 | Q | 72.9 | Confident | 83.7 | Confident | 71 Ų | 71 | 41.7 Ų | 41.7 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | trans | -104.2 | -29.9 | -178.3 | -63.8 | -66.5 | -50.4 | 0 | 0 | 112.6 | Q531 A538 N586 L595 | Q531-Q533 PolarHBondContact O-NE2 3.24Å; Q533-A538 PolarHBondContact N-O 3.39Å; Q533-N586 HydrophobicContact CG-CB 4.14Å; Q533-L595 HydrophobicContact CG-CD2 4.13Å | ||
| 534 | D | 67.4 | Low | 83.8 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -98.6 | 167 | -173.6 | -58.6 | -6.9 | 0 | 0 | 0 | 112.7 | N536 G537 | D534-N536 PolarHBondContact O-N 3.49Å; D534-N536 VanDerWaalsContact O-N 3.13Å; D534-G537 WeakPolarHBondContact O-CA 3.39Å; D534-G537 PolarHBondContact O-N 2.76Å |
| 535 | T | 61.5 | Low | 83.8 | Confident | 146 Ų | 146 | 42.1 Ų | 42.1 | 90% | 0.896 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.2 | 177.1 | 52 | 0 | 0 | 0 | 0 | 113.4 | ||
| 536 | N | 63.5 | Low | 83.9 | Confident | 150 Ų | 150 | 42 Ų | 42 | 80% | 0.802 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.8 | 176.7 | -63 | -4.3 | 0 | 0 | 0 | 112.4 | D534 A538 | D534-N536 PolarHBondContact O-N 3.49Å; D534-N536 VanDerWaalsContact O-N 3.13Å; N536-A538 VanDerWaalsContact C-N 3.32Å |
| 537 | G | 68.2 | Low | 83.8 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | trans | 79.6 | 8.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D534 R561 | D534-G537 WeakPolarHBondContact O-CA 3.39Å; D534-G537 PolarHBondContact O-N 2.76Å; G537-R561 PolarHBondContact O-NE 2.92Å; G537-R561 PolarHBondContact O-NH2 3.05Å | ||
| 538 | A | 74.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | trans | -61.7 | 150.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q533 N536 D559 | Q533-A538 PolarHBondContact N-O 3.39Å; N536-A538 VanDerWaalsContact C-N 3.32Å; A538-D559 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 539 | V | 83.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -142.5 | 125.4 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | L530 Q531 D559 T560 R561 N586 L595 | L530-V539 HydrophobicContact CD1-CG1 4.46Å; Q531-V539 WeakPolarHBondContact O-CG2 3.48Å; V539-D559 PolarHBondContact O-N 2.8Å; V539-D559 VanDerWaalsContact O-N 3.17Å; V539-T560 PolarHBondContact O-N 3.24Å; V539-T560 VanDerWaalsContact O-N 3.07Å; V539-R561 HydrophobicContact CG2-CG 4.13Å; V539-N586 HydrophobicContact CG1-CB 4.49Å; V539-N586 VanDerWaalsContact CG1-OD1 3.26Å; V539-N586 WeakPolarHBondContact CG1-OD1 3.38Å; V539-L595 HydrophobicContact CG1-CD1 3.65Å | ||
| 540 | D | 90.1 | Very high | 83.4 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | trans | -100.3 | 78.8 | 174.1 | -80.4 | 5.1 | 0 | 0 | 0 | 109 | V556 Q557 K558 D559 N586 K587 | D540-V556 HydrophobicContact CB-CG1 3.98Å; D540-Q557 CarbonylContact C-O 3.42Å; D540-Q557 WeakPolarHBondContact CA-O 3.41Å; D540-K558 WeakPolarHBondContact OD1-CA 3.32Å; D540-K558 WeakPolarHBondContact OD1-CB 3.46Å; D540-D559 PolarHBondContact OD1-N 3.47Å; D540-N586 PolarHBondContact N-OD1 2.76Å; D540-N586 CarbonylContact O-C 3.57Å; D540-N586 WeakPolarHBondContact O-CA 3.4Å; D540-N586 PolarHBondContact O-OD1 3.05Å; D540-K587 HydrophobicContact CB-CB 4.3Å; D540-K587 PolarHBondContact O-N 3.03Å | ||
| 541 | S | 91.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.6 | -167.8 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | V556 Q557 P563 Y585 | S541-V556 CarbonylContact O-C 3.42Å; S541-V556 WeakPolarHBondContact O-CA 3.22Å; S541-Q557 PolarHBondContact N-O 3.23Å; S541-Q557 PolarHBondContact O-N 3.05Å; S541-P563 WeakPolarHBondContact OG-CB 3.33Å; S541-P563 WeakPolarHBondContact OG-CG 3.3Å; S541-Y585 CarbonylContact C-O 3.48Å; S541-Y585 VanDerWaalsContact CA-O 3.25Å; S541-Y585 WeakPolarHBondContact CA-O 3.42Å |
| 542 | Y | 93.3 | Very high | 84.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.9 | 167 | 70.3 | -89.4 | 0 | 0 | 0 | 110.9 | I544 R553 V556 I584 Y585 K587 D592 | Y542-I544 HydrophobicContact CD2-CG1 4.17Å; Y542-I544 HydrophobicContact CE2-CD1 3.94Å; Y542-I544 HydrophobicContact CE2-CG1 3.79Å; Y542-R553 HydrophobicContact CD2-CG 3.89Å; Y542-R553 VanDerWaalsContact CE1-NH2 3.31Å; Y542-R553 HydrophobicContact CE2-CG 4.24Å; Y542-V556 HydrophobicContact CD1-CG2 4.27Å; Y542-V556 HydrophobicContact CG-CG2 4.49Å; Y542-I584 WeakPolarHBondContact O-CA 3.36Å; Y542-Y585 HydrophobicContact CE2-CD2 4.08Å; Y542-Y585 HydrophobicContact CE2-CG 4.29Å; Y542-Y585 VanDerWaalsContact CZ-CB 3.46Å; Y542-Y585 PolarHBondContact N-O 3.45Å; Y542-Y585 PolarHBondContact O-N 3.42Å; Y542-K587 HydrophobicContact CD1-CB 4.12Å; Y542-K587 HydrophobicContact CE1-CB 4.13Å; Y542-D592 HydrophobicContact CE1-CB 4.42Å; Y542-D592 VanDerWaalsContact CE1-OD2 3.29Å; Y542-D592 WeakPolarHBondContact CE1-OD2 3.46Å; Y542-D592 VanDerWaalsContact CZ-OD2 3.31Å; Y542-D592 PolarHBondContact OH-OD2 2.76Å |
| 543 | V | 94.6 | Very high | 85 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.1 | -176.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | V524 I545 R553 S554 F565 I582 E583 I584 | V524-V543 HydrophobicContact CG1-CG1 4.43Å; V524-V543 HydrophobicContact CG1-CG2 4.34Å; V524-V543 HydrophobicContact CG2-CG1 4.33Å; V543-I545 HydrophobicContact CG1-CG1 4.26Å; V543-R553 CarbonylContact O-C 3.47Å; V543-R553 WeakPolarHBondContact O-CA 3.35Å; V543-S554 PolarHBondContact N-OG 2.84Å; V543-S554 PolarHBondContact O-N 2.84Å; V543-F565 HydrophobicContact CG2-CD1 3.94Å; V543-F565 HydrophobicContact CG2-CD2 3.68Å; V543-F565 HydrophobicContact CG2-CE1 3.73Å; V543-F565 HydrophobicContact CG2-CE2 3.42Å; V543-F565 VanDerWaalsContact CG2-CE2 3.42Å; V543-F565 HydrophobicContact CG2-CG 3.93Å; V543-F565 HydrophobicContact CG2-CZ 3.46Å; V543-F565 VanDerWaalsContact CG2-CZ 3.46Å; V543-I582 HydrophobicContact CG1-CG2 3.36Å; V543-E583 CarbonylContact C-O 3.57Å; V543-E583 VanDerWaalsContact CA-O 3.31Å; V543-E583 WeakPolarHBondContact CA-O 3.4Å; V543-I584 HydrophobicContact CG2-CG1 4.13Å; V543-I584 HydrophobicContact CG2-CG2 4.44Å |
| 544 | I | 95.6 | Very high | 85.9 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 118 | 167.1 | -54.7 | -177.5 | 0 | 0 | 0 | 108.5 | Y542 R551 V552 R553 I582 E583 Y585 | Y542-I544 HydrophobicContact CD2-CG1 4.17Å; Y542-I544 HydrophobicContact CE2-CD1 3.94Å; Y542-I544 HydrophobicContact CE2-CG1 3.79Å; I544-R551 HydrophobicContact CG2-CB 4.26Å; I544-R551 HydrophobicContact CG2-CG 4.48Å; I544-V552 CarbonylContact C-O 3.52Å; I544-V552 WeakPolarHBondContact CA-O 3.41Å; I544-R553 HydrophobicContact CG1-CG 4.35Å; I544-I582 WeakPolarHBondContact O-CA 3.44Å; I544-E583 PolarHBondContact N-O 2.54Å; I544-E583 PolarHBondContact O-N 3.16Å; I544-Y585 HydrophobicContact CD1-CD2 4.09Å; I544-Y585 HydrophobicContact CD1-CE2 3.8Å; I544-Y585 HydrophobicContact CG1-CD2 4.21Å; I544-Y585 HydrophobicContact CG1-CE2 4.17Å |
| 545 | I | 95 | Very high | 87 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.9 | 169.2 | -49.8 | 168 | 0 | 0 | 0 | 107.5 | V522 V524 V543 R551 V552 I567 F571 I580 H581 I582 | V522-I545 HydrophobicContact CB-CD1 4.24Å; V522-I545 HydrophobicContact CB-CG2 4.24Å; V522-I545 HydrophobicContact CG1-CD1 4.03Å; V522-I545 HydrophobicContact CG1-CG2 4.11Å; V522-I545 HydrophobicContact CG2-CG2 4.26Å; V524-I545 HydrophobicContact CG2-CD1 3.75Å; V524-I545 HydrophobicContact CG2-CG1 4.02Å; V543-I545 HydrophobicContact CG1-CG1 4.26Å; I545-R551 CarbonylContact O-C 3.48Å; I545-R551 VanDerWaalsContact O-CA 3.3Å; I545-R551 WeakPolarHBondContact O-CA 3.25Å; I545-V552 HydrophobicContact CB-CB 4.39Å; I545-V552 PolarHBondContact N-O 2.86Å; I545-V552 PolarHBondContact O-N 2.86Å; I545-I567 HydrophobicContact CD1-CD1 3.62Å; I545-I567 HydrophobicContact CG1-CD1 4.3Å; I545-F571 HydrophobicContact CB-CE2 4.27Å; I545-F571 HydrophobicContact CB-CZ 3.93Å; I545-F571 HydrophobicContact CG2-CE2 3.49Å; I545-F571 VanDerWaalsContact CG2-CE2 3.49Å; I545-F571 HydrophobicContact CG2-CZ 3.51Å; I545-I580 HydrophobicContact CG2-CG2 3.97Å; I545-H581 CarbonylContact C-O 3.56Å; I545-H581 WeakPolarHBondContact CA-O 3.23Å; I545-I582 HydrophobicContact CG1-CG1 4.49Å; I545-I582 HydrophobicContact CG1-CG2 4.44Å; I545-I582 HydrophobicContact CG2-CG1 4.29Å |
| 546 | T | 94.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.3 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | E550 R551 H581 | T546-E550 WeakPolarHBondContact CA-O 3.46Å; T546-R551 HydrophobicContact CG2-CG 4Å; T546-H581 PolarHBondContact N-O 2.81Å; T546-H581 PolarHBondContact O-N 2.83Å |
| 547 | C | 91.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 126.6 | 172.9 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | G549 E550 F571 I580 | C547-G549 PolarHBondContact O-N 3.38Å; C547-E550 PolarHBondContact N-O 2.84Å; C547-E550 PolarHBondContact O-N 3.24Å; C547-F571 HydrophobicContact CB-CB 4.19Å; C547-F571 HydrophobicContact CB-CD1 3.67Å; C547-F571 HydrophobicContact CB-CD2 4.38Å; C547-F571 HydrophobicContact CB-CE1 4.09Å; C547-F571 HydrophobicContact CB-CG 3.81Å; C547-I580 HydrophobicContact CB-CG1 4.29Å |
| 548 | E | 88.9 | Confident | 90.6 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 31.5 | 179.1 | -60.9 | -174.3 | -169.2 | 0 | 0 | 114.5 | E550 R573 K574 K575 E578 | E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 3.05Å; E548-R573 WeakPolarHBondContact OE1-CA 3.33Å; E548-R573 WeakPolarHBondContact OE1-CB 3.46Å; E548-K574 VanDerWaalsContact CD-N 3.34Å; E548-K574 PolarHBondContact OE1-N 2.91Å; E548-K574 PolarHBondContact OE2-N 2.95Å; E548-K575 WeakPolarHBondContact OE1-CA 3.44Å; E548-K575 WeakPolarHBondContact OE1-CB 3.35Å; E548-K575 PolarHBondContact OE1-N 3.05Å; E548-E578 WeakPolarHBondContact CA-OE1 3.44Å; E548-E578 HydrophobicContact CG-CB 4.38Å; E548-E578 HydrophobicContact CG-CG 4.41Å |
| 549 | G | 85.2 | Confident | 91.1 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 66% | 0.66 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -13.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C547 | C547-G549 PolarHBondContact O-N 3.38Š|
| 550 | E | 90.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.1 | 168.1 | -71.7 | -157.3 | 145.4 | 0 | 0 | 110.3 | K437 T546 C547 E548 F571 | K437-E550 IonicContact NZ-OE1 3.69Å; K437-E550 PolarHBondContact NZ-OE1 3.4Å; T546-E550 WeakPolarHBondContact CA-O 3.46Å; C547-E550 PolarHBondContact N-O 2.84Å; C547-E550 PolarHBondContact O-N 3.24Å; E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 3.05Å; E550-F571 HydrophobicContact CB-CD1 4.09Å; E550-F571 HydrophobicContact CB-CE1 4.17Å |
| 551 | R | 93.7 | Very high | 91.1 | Very high | 185 Ų | 185 | 53.6 Ų | 53.6 | 70% | 0.698 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.3 | -177.9 | -61.5 | -173.7 | -179.3 | 176.3 | -0.3 | 111.2 | I544 I545 T546 | I544-R551 HydrophobicContact CG2-CB 4.26Å; I544-R551 HydrophobicContact CG2-CG 4.48Å; I545-R551 CarbonylContact O-C 3.48Å; I545-R551 VanDerWaalsContact O-CA 3.3Å; I545-R551 WeakPolarHBondContact O-CA 3.25Å; T546-R551 HydrophobicContact CG2-CG 4Å |
| 552 | V | 93.9 | Very high | 91 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | L434 N435 I544 I545 F571 | L434-V552 HydrophobicContact CB-CG1 3.74Å; L434-V552 HydrophobicContact CD1-CG1 3.95Å; L434-V552 HydrophobicContact CG-CG1 4.37Å; N435-V552 HydrophobicContact CB-CG2 3.71Å; N435-V552 WeakPolarHBondContact ND2-CG2 3.22Å; I544-V552 CarbonylContact C-O 3.52Å; I544-V552 WeakPolarHBondContact CA-O 3.41Å; I545-V552 HydrophobicContact CB-CB 4.39Å; I545-V552 PolarHBondContact N-O 2.86Å; I545-V552 PolarHBondContact O-N 2.86Å; V552-F571 HydrophobicContact CB-CZ 4.2Å; V552-F571 HydrophobicContact CG2-CE1 3.95Å; V552-F571 HydrophobicContact CG2-CE2 4.47Å; V552-F571 HydrophobicContact CG2-CZ 3.59Å |
| 553 | R | 93.7 | Very high | 90.8 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.9 | 179.5 | -176.1 | -177.8 | -179.5 | 171.3 | 7.7 | 109.8 | Y542 V543 I544 D592 | Y542-R553 HydrophobicContact CD2-CG 3.89Å; Y542-R553 VanDerWaalsContact CE1-NH2 3.31Å; Y542-R553 HydrophobicContact CE2-CG 4.24Å; V543-R553 CarbonylContact O-C 3.47Å; V543-R553 WeakPolarHBondContact O-CA 3.35Å; I544-R553 HydrophobicContact CG1-CG 4.35Å; R553-D592 IonicContact NH2-OD2 3.78Å |
| 554 | S | 92.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 159.8 | 173.5 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | V543 | V543-S554 PolarHBondContact N-OG 2.84Å; V543-S554 PolarHBondContact O-N 2.84Å |
| 555 | P | 89.6 | Confident | 90.5 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -54 | 159.3 | 157.9 | -26.4 | 37.4 | 0 | 0 | 0 | 112.3 | E466 | E466-P555 HydrophobicContact CB-CB 4.44Å; E466-P555 HydrophobicContact CB-CG 4.02Å; E466-P555 VanDerWaalsContact CD-CG 3.48Å; E466-P555 HydrophobicContact CG-CB 4.31Å; E466-P555 HydrophobicContact CG-CG 3.79Å; E466-P555 WeakPolarHBondContact OE1-CG 3.32Å; E466-P555 WeakPolarHBondContact OE2-CB 3.41Å |
| 556 | V | 90.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 123.3 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | D540 S541 Y542 K558 K587 | D540-V556 HydrophobicContact CB-CG1 3.98Å; S541-V556 CarbonylContact O-C 3.42Å; S541-V556 WeakPolarHBondContact O-CA 3.22Å; Y542-V556 HydrophobicContact CD1-CG2 4.27Å; Y542-V556 HydrophobicContact CG-CG2 4.49Å; V556-K558 HydrophobicContact CG1-CG 4.37Å; V556-K587 HydrophobicContact CB-CD 4.47Å; V556-K587 HydrophobicContact CG1-CB 4.22Å; V556-K587 HydrophobicContact CG1-CD 4.23Å; V556-K587 HydrophobicContact CG2-CB 4.48Å; V556-K587 HydrophobicContact CG2-CD 3.58Å |
| 557 | Q | 89.6 | Confident | 90.2 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -90.5 | 113.6 | 171.2 | -63.9 | -58.2 | -35.3 | 0 | 0 | 108.8 | D540 S541 T560 P563 F565 | D540-Q557 CarbonylContact C-O 3.42Å; D540-Q557 WeakPolarHBondContact CA-O 3.41Å; S541-Q557 PolarHBondContact N-O 3.23Å; S541-Q557 PolarHBondContact O-N 3.05Å; Q557-T560 HydrophobicContact CB-CG2 4.16Å; Q557-P563 HydrophobicContact CB-CB 3.67Å; Q557-P563 HydrophobicContact CG-CB 3.92Å; Q557-F565 HydrophobicContact CB-CE1 4.36Å; Q557-F565 HydrophobicContact CG-CD1 3.82Å; Q557-F565 HydrophobicContact CG-CE1 3.92Å |
| 558 | K | 88.6 | Confident | 90.3 | Very high | 145 Ų | 145 | 62.6 Ų | 62.6 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | trans | -88.9 | 147.5 | -171.8 | -62.1 | -176.7 | -177.7 | 179.1 | 0 | 112.4 | D540 V556 T560 | D540-K558 WeakPolarHBondContact OD1-CA 3.32Å; D540-K558 WeakPolarHBondContact OD1-CB 3.46Å; V556-K558 HydrophobicContact CG1-CG 4.37Å; K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 3.37Å | ||
| 559 | D | 86.1 | Confident | 90.5 | Very high | 121 Ų | 121 | 60.1 Ų | 60.1 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 49.2 | 44.1 | 169.2 | -164 | 21.7 | 0 | 0 | 0 | 114.3 | A538 V539 D540 | A538-D559 WeakPolarHBondContact CB-OD1 3.29Å; V539-D559 PolarHBondContact O-N 2.8Å; V539-D559 VanDerWaalsContact O-N 3.17Å; D540-D559 PolarHBondContact OD1-N 3.47Å |
| 560 | T | 86.9 | Confident | 90.9 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | trans | -147.8 | 134.9 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | V539 Q557 K558 C562 P563 | V539-T560 PolarHBondContact O-N 3.24Å; V539-T560 VanDerWaalsContact O-N 3.07Å; Q557-T560 HydrophobicContact CB-CG2 4.16Å; K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 3.37Å; T560-C562 VanDerWaalsContact C-N 3.35Å; T560-C562 PolarHBondContact OG1-N 2.77Å; T560-C562 VanDerWaalsContact OG1-N 3.11Å; T560-C562 PolarHBondContact OG1-O 2.76Å; T560-P563 HydrophobicContact CG2-CB 3.95Å | ||
| 561 | R | 87.1 | Confident | 90.9 | Very high | 122 Ų | 122 | 53.6 Ų | 53.6 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -86.7 | -9 | 171.1 | -64.4 | -175.4 | -179.9 | -172.4 | -3 | 113.4 | G529 L530 G537 V539 P563 | G529-R561 PolarHBondContact N-O 3.35Å; G529-R561 VanDerWaalsContact N-O 3.14Å; L530-R561 PolarHBondContact N-O 3.3Å; G537-R561 PolarHBondContact O-NE 2.92Å; G537-R561 PolarHBondContact O-NH2 3.05Å; V539-R561 HydrophobicContact CG2-CG 4.13Å; R561-P563 WeakPolarHBondContact O-CD 3.42Å |
| 562 | C | 89.3 | Confident | 90.8 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -124.7 | 62.9 | 178.9 | -60 | 0 | 0 | 0 | 0 | 109.9 | A527 T560 | A527-C562 CarbonylContact O-C 3.57Å; A527-C562 VanDerWaalsContact O-C 3.25Å; A527-C562 WeakPolarHBondContact O-CA 2.98Å; T560-C562 VanDerWaalsContact C-N 3.35Å; T560-C562 PolarHBondContact OG1-N 2.77Å; T560-C562 VanDerWaalsContact OG1-N 3.11Å; T560-C562 PolarHBondContact OG1-O 2.76Å |
| 563 | P | 90 | Very high | 90.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | trans | -66.4 | 135.2 | -176.7 | 29.9 | -38.3 | 0 | 0 | 0 | 111.6 | S526 A527 L530 S541 Q557 T560 R561 F565 | S526-P563 CarbonylContact C-O 3.5Å; S526-P563 VanDerWaalsContact CA-O 3.23Å; S526-P563 WeakPolarHBondContact CA-O 3.5Å; S526-P563 WeakPolarHBondContact CB-O 3.3Å; A527-P563 HydrophobicContact CB-CG 3.87Å; A527-P563 PolarHBondContact N-O 2.83Å; A527-P563 WeakPolarHBondContact O-CD 3.37Å; L530-P563 HydrophobicContact CD1-CG 3.61Å; S541-P563 WeakPolarHBondContact OG-CB 3.33Å; S541-P563 WeakPolarHBondContact OG-CG 3.3Å; Q557-P563 HydrophobicContact CB-CB 3.67Å; Q557-P563 HydrophobicContact CG-CB 3.92Å; T560-P563 HydrophobicContact CG2-CB 3.95Å; R561-P563 WeakPolarHBondContact O-CD 3.42Å; P563-F565 HydrophobicContact CB-CD1 4.47Å; P563-F565 HydrophobicContact CB-CD2 4.48Å; P563-F565 HydrophobicContact CB-CE1 3.93Å; P563-F565 HydrophobicContact CB-CE2 3.97Å; P563-F565 HydrophobicContact CB-CZ 3.65Å; P563-F565 HydrophobicContact CG-CD2 4.34Å; P563-F565 HydrophobicContact CG-CE1 4.18Å; P563-F565 HydrophobicContact CG-CE2 3.49Å; P563-F565 VanDerWaalsContact CG-CE2 3.49Å; P563-F565 HydrophobicContact CG-CZ 3.38Å | ||
| 564 | N | 92.1 | Very high | 90.3 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 101.6 | 164.9 | -175.2 | -2.1 | 0 | 0 | 0 | 108.2 | V525 | V525-N564 PolarHBondContact O-OD1 3.3Å; V525-N564 VanDerWaalsContact O-OD1 3.05Å |
| 565 | F | 90.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -46.7 | -178.8 | -65.5 | -66.3 | 0 | 0 | 0 | 110.9 | V524 V525 A527 V543 Q557 P563 I567 I584 | V524-F565 HydrophobicContact CG1-CB 4.31Å; V524-F565 HydrophobicContact CG1-CD2 3.97Å; V524-F565 HydrophobicContact CG1-CG 4.45Å; V525-F565 PolarHBondContact O-N 2.65Å; A527-F565 HydrophobicContact CB-CE2 3.94Å; V543-F565 HydrophobicContact CG2-CD1 3.94Å; V543-F565 HydrophobicContact CG2-CD2 3.68Å; V543-F565 HydrophobicContact CG2-CE1 3.73Å; V543-F565 HydrophobicContact CG2-CE2 3.42Å; V543-F565 VanDerWaalsContact CG2-CE2 3.42Å; V543-F565 HydrophobicContact CG2-CG 3.93Å; V543-F565 HydrophobicContact CG2-CZ 3.46Å; V543-F565 VanDerWaalsContact CG2-CZ 3.46Å; Q557-F565 HydrophobicContact CB-CE1 4.36Å; Q557-F565 HydrophobicContact CG-CD1 3.82Å; Q557-F565 HydrophobicContact CG-CE1 3.92Å; P563-F565 HydrophobicContact CB-CD1 4.47Å; P563-F565 HydrophobicContact CB-CD2 4.48Å; P563-F565 HydrophobicContact CB-CE1 3.93Å; P563-F565 HydrophobicContact CB-CE2 3.97Å; P563-F565 HydrophobicContact CB-CZ 3.65Å; P563-F565 HydrophobicContact CG-CD2 4.34Å; P563-F565 HydrophobicContact CG-CE1 4.18Å; P563-F565 HydrophobicContact CG-CE2 3.49Å; P563-F565 VanDerWaalsContact CG-CE2 3.49Å; P563-F565 HydrophobicContact CG-CZ 3.38Å; F565-I567 HydrophobicContact CB-CG1 4.1Å; F565-I567 WeakPolarHBondContact O-CG2 3.44Å; F565-I567 PolarHBondContact O-N 2.95Å; F565-I584 HydrophobicContact CZ-CG2 4.43Å |
| 566 | D | 90.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.9 | 50.6 | -174.3 | -169 | 37.4 | 0 | 0 | 0 | 113 | R431 H523 V524 V525 | R431-D566 IonicContact CZ-OD2 2.54Å; R431-D566 PolarHBondContact NH1-O 3.03Å; R431-D566 IonicContact NH1-OD2 2.77Å; R431-D566 PolarHBondContact NH1-OD2 2.73Å; R431-D566 PolarHBondContact NH2-O 2.94Å; H523-D566 IonicContact CD2-OD1 2.76Å; H523-D566 IonicContact CE1-OD1 3.9Å; H523-D566 PolarHBondContact CE1-OD1 3.36Å; H523-D566 IonicContact NE2-OD1 3.93Å; H523-D566 PolarHBondContact NE2-OD1 3.25Å; V524-D566 WeakPolarHBondContact O-CA 3.39Å; V524-D566 PolarHBondContact O-N 2.7Å; V525-D566 PolarHBondContact O-N 3Å |
| 567 | I | 92.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.9 | -179.6 | 60.9 | 113.6 | 0 | 0 | 0 | 111.5 | L434 H523 V524 I545 F565 | L434-I567 HydrophobicContact CD1-CB 4.08Å; L434-I567 HydrophobicContact CD1-CG2 4.03Å; H523-I567 WeakPolarHBondContact CA-O 3.39Å; H523-I567 PolarHBondContact CD2-O 3.01Å; V524-I567 HydrophobicContact CB-CD1 4.26Å; V524-I567 HydrophobicContact CB-CG1 4.12Å; V524-I567 HydrophobicContact CG2-CD1 4.42Å; V524-I567 PolarHBondContact N-O 3.49Å; V524-I567 PolarHBondContact O-N 3Å; I545-I567 HydrophobicContact CD1-CD1 3.62Å; I545-I567 HydrophobicContact CG1-CD1 4.3Å; F565-I567 HydrophobicContact CB-CG1 4.1Å; F565-I567 WeakPolarHBondContact O-CG2 3.44Å; F565-I567 PolarHBondContact O-N 2.95Å |
| 568 | K | 93.8 | Very high | 89.4 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.6 | 177.2 | -57.3 | 176.3 | -178.8 | 172.3 | 0 | 110.9 | E433 L434 V522 H523 | E433-K568 CarbonylContact C-O 3.43Å; E433-K568 WeakPolarHBondContact CA-O 3.29Å; E433-K568 HydrophobicContact CB-CB 4.15Å; E433-K568 WeakPolarHBondContact CB-O 3.49Å; E433-K568 HydrophobicContact CG-CB 3.63Å; L434-K568 PolarHBondContact N-O 3.05Å; V522-K568 CarbonylContact O-C 3.59Å; V522-K568 VanDerWaalsContact O-CA 3.25Å; V522-K568 WeakPolarHBondContact O-CA 3.41Å; H523-K568 HydrophobicContact CB-CG 3.92Å |
| 569 | G | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q521 V522 | Q521-G569 CarbonylContact C-O 3.57Å; Q521-G569 WeakPolarHBondContact CA-O 3.36Å; V522-G569 PolarHBondContact N-O 3.13Å; V522-G569 PolarHBondContact O-N 2.96Å |
| 570 | L | 93.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.7 | 179.1 | -173.4 | 65.3 | 0 | 0 | 0 | 110.1 | E433 N435 V519 Q521 Y572 I643 | E433-L570 HydrophobicContact CB-CB 3.9Å; E433-L570 HydrophobicContact CG-CB 3.86Å; N435-L570 PolarHBondContact ND2-O 3.17Å; N435-L570 PolarHBondContact OD1-N 2.84Å; N435-L570 PolarHBondContact OD1-O 3.41Å; V519-L570 HydrophobicContact CG2-CD1 3.58Å; V519-L570 HydrophobicContact CG2-CG 4.14Å; Q521-L570 HydrophobicContact CB-CD1 4.31Å; L570-Y572 HydrophobicContact CD2-CE2 3.81Å; L570-Y572 HydrophobicContact CG-CE2 4Å; L570-I643 HydrophobicContact CD1-CB 4Å; L570-I643 HydrophobicContact CD1-CD1 4.14Å; L570-I643 HydrophobicContact CD1-CG2 3.52Å |
| 571 | F | 91.9 | Very high | 90 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.6 | -175.4 | -58.6 | -86.5 | 0 | 0 | 0 | 111 | V519 T520 V522 I545 C547 E550 V552 R573 | V519-F571 WeakPolarHBondContact CA-O 3.47Å; T520-F571 PolarHBondContact N-O 2.82Å; T520-F571 PolarHBondContact O-N 3.47Å; V522-F571 HydrophobicContact CB-CE2 4.4Å; V522-F571 HydrophobicContact CG2-CD2 4.01Å; V522-F571 HydrophobicContact CG2-CE2 3.98Å; I545-F571 HydrophobicContact CB-CE2 4.27Å; I545-F571 HydrophobicContact CB-CZ 3.93Å; I545-F571 HydrophobicContact CG2-CE2 3.49Å; I545-F571 VanDerWaalsContact CG2-CE2 3.49Å; I545-F571 HydrophobicContact CG2-CZ 3.51Å; C547-F571 HydrophobicContact CB-CB 4.19Å; C547-F571 HydrophobicContact CB-CD1 3.67Å; C547-F571 HydrophobicContact CB-CD2 4.38Å; C547-F571 HydrophobicContact CB-CE1 4.09Å; C547-F571 HydrophobicContact CB-CG 3.81Å; E550-F571 HydrophobicContact CB-CD1 4.09Å; E550-F571 HydrophobicContact CB-CE1 4.17Å; V552-F571 HydrophobicContact CB-CZ 4.2Å; V552-F571 HydrophobicContact CG2-CE1 3.95Å; V552-F571 HydrophobicContact CG2-CE2 4.47Å; V552-F571 HydrophobicContact CG2-CZ 3.59Å; F571-R573 HydrophobicContact CB-CG 4.19Å |
| 572 | Y | 90.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.2 | 173.6 | -69.9 | -93.3 | 0 | 0 | 0 | 108.7 | Y438 P504 V519 L570 L640 | Y438-Y572 HydrophobicContact CD2-CD2 4.12Å; Y438-Y572 HydrophobicContact CD2-CE1 4.38Å; Y438-Y572 AromaticContact CD2-CE2 3.27Å; Y438-Y572 HydrophobicContact CD2-CE2 3.27Å; Y438-Y572 AromaticContact CD2-CZ 3.41Å; Y438-Y572 VanDerWaalsContact CD2-CZ 3.41Å; Y438-Y572 WeakPolarHBondContact CD2-OH 3.46Å; Y438-Y572 AromaticContact CE2-CD2 3.82Å; Y438-Y572 HydrophobicContact CE2-CD2 3.82Å; Y438-Y572 AromaticContact CE2-CE2 3.46Å; Y438-Y572 HydrophobicContact CE2-CE2 3.46Å; Y438-Y572 VanDerWaalsContact CE2-CE2 3.46Å; Y438-Y572 AromaticContact CE2-CZ 3.87Å; Y438-Y572 HydrophobicContact CG-CE2 4.46Å; P504-Y572 VanDerWaalsContact CD-CD1 3.49Å; P504-Y572 VanDerWaalsContact CD-CE1 3.42Å; P504-Y572 HydrophobicContact CG-CD1 3.37Å; P504-Y572 HydrophobicContact CG-CD2 4.16Å; P504-Y572 HydrophobicContact CG-CE1 3.8Å; P504-Y572 HydrophobicContact CG-CG 3.56Å; V519-Y572 HydrophobicContact CB-CD1 4.26Å; V519-Y572 HydrophobicContact CB-CE1 4.27Å; V519-Y572 HydrophobicContact CG2-CD1 4.03Å; V519-Y572 HydrophobicContact CG2-CE1 3.82Å; V519-Y572 HydrophobicContact CG2-CE2 4.34Å; V519-Y572 HydrophobicContact CG2-CG 4.41Å; L570-Y572 HydrophobicContact CD2-CE2 3.81Å; L570-Y572 HydrophobicContact CG-CE2 4Å; Y572-L640 HydrophobicContact CD1-CB 4.47Å; Y572-L640 HydrophobicContact CD1-CD2 4.25Å; Y572-L640 HydrophobicContact CE1-CB 4.19Å |
| 573 | R | 89.1 | Confident | 90.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.4 | -164.2 | -67.1 | 172 | 67.7 | -153.3 | -0.3 | 111.6 | P516 Q517 L518 T520 E548 F571 P576 E578 S602 | P516-R573 CarbonylContact C-O 3.3Å; P516-R573 WeakPolarHBondContact CA-O 3.48Å; Q517-R573 PolarHBondContact N-O 2.87Å; L518-R573 HydrophobicContact CB-CB 4.35Å; L518-R573 PolarHBondContact N-O 2.97Å; L518-R573 PolarHBondContact O-N 3.39Å; T520-R573 WeakPolarHBondContact OG1-CD 3.49Å; T520-R573 PolarHBondContact OG1-NH1 3.48Å; T520-R573 VanDerWaalsContact OG1-NH1 3.1Å; E548-R573 WeakPolarHBondContact OE1-CA 3.33Å; E548-R573 WeakPolarHBondContact OE1-CB 3.46Å; F571-R573 HydrophobicContact CB-CG 4.19Å; R573-P576 PolarHBondContact NH2-O 2.86Å; R573-E578 PolarHBondContact NH2-O 2.88Å; R573-S602 PolarHBondContact NH1-OG 2.8Å |
| 574 | K | 89.3 | Confident | 90.7 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -92.8 | -23.4 | 176.3 | -60.8 | 179.6 | 179.8 | -173.9 | 0 | 112.2 | C513 G514 P516 E548 P576 | C513-K574 WeakPolarHBondContact O-CD 3.46Å; C513-K574 PolarHBondContact O-NZ 2.97Å; G514-K574 WeakPolarHBondContact O-CE 3.45Å; G514-K574 PolarHBondContact O-NZ 3.49Å; G514-K574 VanDerWaalsContact O-NZ 3.14Å; P516-K574 HydrophobicContact CG-CG 4.41Å; E548-K574 VanDerWaalsContact CD-N 3.34Å; E548-K574 PolarHBondContact OE1-N 2.91Å; E548-K574 PolarHBondContact OE2-N 2.95Å; K574-P576 WeakPolarHBondContact O-CD 3.47Å |
| 575 | K | 87.1 | Confident | 90.7 | Very high | 127 Ų | 127 | 36.6 Ų | 36.6 | 55% | 0.552 | 17% | 0.169 | S | C | * | . | trans | -121.3 | 89.5 | -176.5 | -63.5 | 167.1 | 180 | 176.2 | 0 | 109.4 | E548 K577 E578 | E548-K575 WeakPolarHBondContact OE1-CA 3.44Å; E548-K575 WeakPolarHBondContact OE1-CB 3.35Å; E548-K575 PolarHBondContact OE1-N 3.05Å; K575-K577 PolarHBondContact O-N 2.92Å; K575-E578 HydrophobicContact CB-CB 4.02Å; K575-E578 WeakPolarHBondContact CD-OE2 3.39Å; K575-E578 IonicContact NZ-OE2 3.88Å; K575-E578 PolarHBondContact NZ-OE2 2.87Å; K575-E578 VanDerWaalsContact NZ-OE2 3.16Å; K575-E578 WeakPolarHBondContact O-CB 3.37Å; K575-E578 PolarHBondContact O-N 3.24Å | ||
| 576 | P | 83.2 | Confident | 90.7 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 29% | 0.292 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -30.8 | -179 | -33.6 | 38.2 | 0 | 0 | 0 | 116.4 | Q517 L518 R573 K574 | Q517-P576 HydrophobicContact CB-CG 4.5Å; L518-P576 HydrophobicContact CD1-CB 3.5Å; L518-P576 HydrophobicContact CD1-CG 3.69Å; L518-P576 HydrophobicContact CG-CB 4.49Å; L518-P576 HydrophobicContact CG-CG 4.18Å; R573-P576 PolarHBondContact NH2-O 2.86Å; K574-P576 WeakPolarHBondContact O-CD 3.47Å |
| 577 | K | 84.3 | Confident | 90.6 | Very high | 193 Ų | 193 | 39.6 Ų | 39.6 | 84% | 0.839 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.5 | -177.1 | -60.9 | -175 | 178.2 | -176.7 | 0 | 114.1 | K575 | K575-K577 PolarHBondContact O-N 2.92Š|
| 578 | E | 87.5 | Confident | 90.2 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -74.5 | 133.1 | -179.7 | -166.7 | 165.8 | 150.3 | 0 | 0 | 110.1 | E548 R573 K575 | E548-E578 WeakPolarHBondContact CA-OE1 3.44Å; E548-E578 HydrophobicContact CG-CB 4.38Å; E548-E578 HydrophobicContact CG-CG 4.41Å; R573-E578 PolarHBondContact NH2-O 2.88Å; K575-E578 HydrophobicContact CB-CB 4.02Å; K575-E578 WeakPolarHBondContact CD-OE2 3.39Å; K575-E578 IonicContact NZ-OE2 3.88Å; K575-E578 PolarHBondContact NZ-OE2 2.87Å; K575-E578 VanDerWaalsContact NZ-OE2 3.16Å; K575-E578 WeakPolarHBondContact O-CB 3.37Å; K575-E578 PolarHBondContact O-N 3.24Å |
| 579 | A | 90.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -73 | 155.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V599 L600 F601 | A579-V599 HydrophobicContact CB-CG1 3.52Å; A579-L600 WeakPolarHBondContact CA-O 3.16Å; A579-F601 HydrophobicContact CB-CD1 4.05Å; A579-F601 HydrophobicContact CB-CE1 3.58Å; A579-F601 HydrophobicContact CB-CE2 4.45Å; A579-F601 HydrophobicContact CB-CZ 3.8Å |
| 580 | I | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.4 | 170.7 | -59.8 | 168 | 0 | 0 | 0 | 107.4 | T520 V522 I545 C547 I582 V599 L600 L634 | T520-I580 HydrophobicContact CG2-CD1 3.58Å; V522-I580 HydrophobicContact CG2-CD1 4.05Å; V522-I580 HydrophobicContact CG2-CG2 3.98Å; I545-I580 HydrophobicContact CG2-CG2 3.97Å; C547-I580 HydrophobicContact CB-CG1 4.29Å; I580-I582 HydrophobicContact CG2-CG1 4.37Å; I580-V599 WeakPolarHBondContact O-CA 3.37Å; I580-L600 HydrophobicContact CB-CB 4.36Å; I580-L600 PolarHBondContact N-O 2.77Å; I580-L600 PolarHBondContact O-N 2.64Å; I580-L634 HydrophobicContact CD1-CD2 4.24Å |
| 581 | H | 93.1 | Very high | 88.2 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 32% | 0.324 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.7 | 179.8 | -64.2 | -96.8 | 0 | 0 | 0 | 109.4 | I545 T546 | I545-H581 CarbonylContact C-O 3.56Å; I545-H581 WeakPolarHBondContact CA-O 3.23Å; T546-H581 PolarHBondContact N-O 2.81Å; T546-H581 PolarHBondContact O-N 2.83Å |
| 582 | I | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 108.6 | 174 | -53.5 | 176.9 | 0 | 0 | 0 | 107.1 | V522 V524 V543 I544 I545 I580 Q597 V598 L600 L630 V632 | V522-I582 HydrophobicContact CG1-CD1 3.73Å; V522-I582 HydrophobicContact CG1-CG1 4.47Å; V524-I582 HydrophobicContact CG2-CD1 4.08Å; V524-I582 HydrophobicContact CG2-CG2 4Å; V543-I582 HydrophobicContact CG1-CG2 3.36Å; I544-I582 WeakPolarHBondContact O-CA 3.44Å; I545-I582 HydrophobicContact CG1-CG1 4.49Å; I545-I582 HydrophobicContact CG1-CG2 4.44Å; I545-I582 HydrophobicContact CG2-CG1 4.29Å; I580-I582 HydrophobicContact CG2-CG1 4.37Å; I582-Q597 CarbonylContact O-C 3.25Å; I582-Q597 WeakPolarHBondContact O-CA 3.15Å; I582-V598 PolarHBondContact N-O 2.86Å; I582-V598 PolarHBondContact O-N 3.47Å; I582-L600 HydrophobicContact CD1-CD1 3.51Å; I582-L600 HydrophobicContact CG1-CD1 4.43Å; I582-L630 HydrophobicContact CB-CD2 4.22Å; I582-L630 HydrophobicContact CG2-CD2 3.7Å; I582-V632 HydrophobicContact CD1-CG1 3.82Å |
| 583 | E | 93.9 | Very high | 87.9 | Confident | 29 Ų | 29 | 68 Ų | 68 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.4 | -177.3 | -60.7 | -177.7 | 137 | 0 | 0 | 109.9 | V543 I544 Y585 F594 Q597 K618 | V543-E583 CarbonylContact C-O 3.57Å; V543-E583 VanDerWaalsContact CA-O 3.31Å; V543-E583 WeakPolarHBondContact CA-O 3.4Å; I544-E583 PolarHBondContact N-O 2.54Å; I544-E583 PolarHBondContact O-N 3.16Å; E583-Y585 HydrophobicContact CB-CD2 4.22Å; E583-Y585 HydrophobicContact CB-CE2 3.45Å; E583-Y585 VanDerWaalsContact CB-CE2 3.45Å; E583-Y585 VanDerWaalsContact CD-OH 3.22Å; E583-Y585 HydrophobicContact CG-CE2 4.41Å; E583-Y585 PolarHBondContact OE1-OH 2.9Å; E583-Y585 WeakPolarHBondContact OE2-CE2 3.44Å; E583-Y585 PolarHBondContact OE2-OH 3.24Å; E583-F594 HydrophobicContact CB-CE2 4.09Å; E583-F594 HydrophobicContact CG-CE2 4.25Å; E583-Q597 HydrophobicContact CG-CB 4.18Å; E583-K618 WeakPolarHBondContact OE1-CE 3.45Å; E583-K618 IonicContact OE1-NZ 3.84Å; E583-K618 PolarHBondContact OE1-NZ 2.83Å; E583-K618 IonicContact OE2-NZ 3.92Å |
| 584 | I | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.1 | 175.7 | -45.4 | -169.5 | 0 | 0 | 0 | 108.8 | A527 L530 Y542 V543 F565 L595 G596 L615 L630 | A527-I584 HydrophobicContact CB-CD1 4.13Å; L530-I584 HydrophobicContact CD1-CG2 4.39Å; L530-I584 HydrophobicContact CD2-CD1 4.29Å; Y542-I584 WeakPolarHBondContact O-CA 3.36Å; V543-I584 HydrophobicContact CG2-CG1 4.13Å; V543-I584 HydrophobicContact CG2-CG2 4.44Å; F565-I584 HydrophobicContact CZ-CG2 4.43Å; I584-L595 HydrophobicContact CB-CB 4.31Å; I584-L595 HydrophobicContact CG2-CB 4.29Å; I584-L595 HydrophobicContact CG2-CD1 4.11Å; I584-L595 PolarHBondContact O-N 2.8Å; I584-G596 PolarHBondContact N-O 3.11Å; I584-G596 PolarHBondContact O-N 2.76Å; I584-L615 HydrophobicContact CD1-CD1 4.08Å; I584-L615 HydrophobicContact CD1-CD2 3.72Å; I584-L615 HydrophobicContact CG1-CD2 4.26Å; I584-L630 HydrophobicContact CD1-CD1 3.72Å; I584-L630 HydrophobicContact CD1-CG 4.49Å |
| 585 | Y | 92 | Very high | 87.9 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 13% | 0.125 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.6 | 179 | -66.5 | -93.1 | 0 | 0 | 0 | 110.9 | S541 Y542 I544 E583 T593 F594 K618 | S541-Y585 CarbonylContact C-O 3.48Å; S541-Y585 VanDerWaalsContact CA-O 3.25Å; S541-Y585 WeakPolarHBondContact CA-O 3.42Å; Y542-Y585 HydrophobicContact CE2-CD2 4.08Å; Y542-Y585 HydrophobicContact CE2-CG 4.29Å; Y542-Y585 VanDerWaalsContact CZ-CB 3.46Å; Y542-Y585 PolarHBondContact N-O 3.45Å; Y542-Y585 PolarHBondContact O-N 3.42Å; I544-Y585 HydrophobicContact CD1-CD2 4.09Å; I544-Y585 HydrophobicContact CD1-CE2 3.8Å; I544-Y585 HydrophobicContact CG1-CD2 4.21Å; I544-Y585 HydrophobicContact CG1-CE2 4.17Å; E583-Y585 HydrophobicContact CB-CD2 4.22Å; E583-Y585 HydrophobicContact CB-CE2 3.45Å; E583-Y585 VanDerWaalsContact CB-CE2 3.45Å; E583-Y585 VanDerWaalsContact CD-OH 3.22Å; E583-Y585 HydrophobicContact CG-CE2 4.41Å; E583-Y585 PolarHBondContact OE1-OH 2.9Å; E583-Y585 WeakPolarHBondContact OE2-CE2 3.44Å; E583-Y585 PolarHBondContact OE2-OH 3.24Å; Y585-T593 CarbonylContact C-O 3.58Å; Y585-T593 VanDerWaalsContact CA-O 3.25Å; Y585-T593 WeakPolarHBondContact CA-O 3.41Å; Y585-F594 HydrophobicContact CD1-CB 4.1Å; Y585-F594 HydrophobicContact CD1-CD2 4.27Å; Y585-F594 HydrophobicContact CE1-CB 3.93Å; Y585-F594 AromaticContact CE1-CD2 3.79Å; Y585-F594 HydrophobicContact CE1-CD2 3.79Å; Y585-F594 HydrophobicContact CE1-CG 4.35Å; Y585-F594 HydrophobicContact CE2-CD2 4.41Å; Y585-F594 AromaticContact CZ-CD2 3.87Å; Y585-K618 PolarHBondContact OH-NZ 2.88Å |
| 586 | N | 90.5 | Very high | 88 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.9 | 164.2 | -167.4 | 53.7 | 0 | 0 | 0 | 109.2 | Q533 V539 D540 N588 D592 T593 L595 | Q533-N586 HydrophobicContact CG-CB 4.14Å; V539-N586 HydrophobicContact CG1-CB 4.49Å; V539-N586 VanDerWaalsContact CG1-OD1 3.26Å; V539-N586 WeakPolarHBondContact CG1-OD1 3.38Å; D540-N586 PolarHBondContact N-OD1 2.76Å; D540-N586 CarbonylContact O-C 3.57Å; D540-N586 WeakPolarHBondContact O-CA 3.4Å; D540-N586 PolarHBondContact O-OD1 3.05Å; N586-N588 PolarHBondContact ND2-OD1 2.93Å; N586-N588 PolarHBondContact O-N 3.35Å; N586-D592 CarbonylContact O-C 3.6Å; N586-D592 WeakPolarHBondContact O-CA 3.17Å; N586-D592 WeakPolarHBondContact O-CB 3.47Å; N586-T593 PolarHBondContact N-O 2.9Å; N586-T593 PolarHBondContact O-N 3.37Å; N586-L595 HydrophobicContact CB-CD1 4.04Å; N586-L595 HydrophobicContact CB-CD2 4.16Å; N586-L595 HydrophobicContact CB-CG 4.12Å |
| 587 | K | 88.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 45% | 0.452 | 29% | 0.288 | S | S | . | . | trans | -77.3 | 121 | 175.6 | -176.4 | 169.8 | 178 | 178.9 | 0 | 109.9 | D540 Y542 V556 D592 | D540-K587 HydrophobicContact CB-CB 4.3Å; D540-K587 PolarHBondContact O-N 3.03Å; Y542-K587 HydrophobicContact CD1-CB 4.12Å; Y542-K587 HydrophobicContact CE1-CB 4.13Å; V556-K587 HydrophobicContact CB-CD 4.47Å; V556-K587 HydrophobicContact CG1-CB 4.22Å; V556-K587 HydrophobicContact CG1-CD 4.23Å; V556-K587 HydrophobicContact CG2-CB 4.48Å; V556-K587 HydrophobicContact CG2-CD 3.58Å; K587-D592 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 588 | N | 84.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | trans | -119.8 | 167.8 | 176.2 | -57.9 | -50.3 | 0 | 0 | 0 | 111 | N586 I590 M591 D592 T593 | N586-N588 PolarHBondContact ND2-OD1 2.93Å; N586-N588 PolarHBondContact O-N 3.35Å; N588-I590 VanDerWaalsContact C-N 3.32Å; N588-I590 PolarHBondContact O-N 2.82Å; N588-M591 WeakPolarHBondContact CB-O 3.45Å; N588-M591 PolarHBondContact ND2-O 2.83Å; N588-D592 PolarHBondContact N-OD1 2.82Å; N588-T593 PolarHBondContact ND2-N 2.88Å; N588-T593 PolarHBondContact ND2-OG1 2.88Å | ||
| 589 | M | 78.2 | Confident | 88.9 | Confident | 195 Ų | 195 | 49.9 Ų | 49.9 | 96% | 0.961 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -66.4 | -29.9 | 179.3 | -69.9 | -174 | 67.2 | 0 | 0 | 114.3 | ||
| 590 | I | 77.6 | Confident | 88.8 | Confident | 167 Ų | 167 | 49.9 Ų | 49.9 | 86% | 0.856 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -112.3 | -52.7 | -172.4 | -59.3 | 176 | 0 | 0 | 0 | 111.2 | N588 | N588-I590 VanDerWaalsContact C-N 3.32Å; N588-I590 PolarHBondContact O-N 2.82Å |
| 591 | M | 82.5 | Confident | 88.5 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -150.4 | 126.2 | -177.6 | 177.2 | 167.2 | 42 | 0 | 0 | 109.6 | N588 | N588-M591 WeakPolarHBondContact CB-O 3.45Å; N588-M591 PolarHBondContact ND2-O 2.83Å |
| 592 | D | 89.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -66 | 136 | -178.3 | -66.3 | -10.7 | 0 | 0 | 0 | 111 | Y542 R553 N586 K587 N588 | Y542-D592 HydrophobicContact CE1-CB 4.42Å; Y542-D592 VanDerWaalsContact CE1-OD2 3.29Å; Y542-D592 WeakPolarHBondContact CE1-OD2 3.46Å; Y542-D592 VanDerWaalsContact CZ-OD2 3.31Å; Y542-D592 PolarHBondContact OH-OD2 2.76Å; R553-D592 IonicContact NH2-OD2 3.78Å; N586-D592 CarbonylContact O-C 3.6Å; N586-D592 WeakPolarHBondContact O-CA 3.17Å; N586-D592 WeakPolarHBondContact O-CB 3.47Å; K587-D592 WeakPolarHBondContact CA-OD1 3.31Å; N588-D592 PolarHBondContact N-OD1 2.82Å |
| 593 | T | 88 | Confident | 86.4 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.7 | 179.7 | -54 | 0 | 0 | 0 | 0 | 109.6 | Y585 N586 N588 | Y585-T593 CarbonylContact C-O 3.58Å; Y585-T593 VanDerWaalsContact CA-O 3.25Å; Y585-T593 WeakPolarHBondContact CA-O 3.41Å; N586-T593 PolarHBondContact N-O 2.9Å; N586-T593 PolarHBondContact O-N 3.37Å; N588-T593 PolarHBondContact ND2-N 2.88Å; N588-T593 PolarHBondContact ND2-OG1 2.88Å |
| 594 | F | 89.8 | Confident | 85.1 | Confident | 45 Ų | 45 | 62 Ų | 62 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 172 | 176.6 | -104.4 | 0 | 0 | 0 | 110.8 | E583 Y585 G596 Q597 K618 | E583-F594 HydrophobicContact CB-CE2 4.09Å; E583-F594 HydrophobicContact CG-CE2 4.25Å; Y585-F594 HydrophobicContact CD1-CB 4.1Å; Y585-F594 HydrophobicContact CD1-CD2 4.27Å; Y585-F594 HydrophobicContact CE1-CB 3.93Å; Y585-F594 AromaticContact CE1-CD2 3.79Å; Y585-F594 HydrophobicContact CE1-CD2 3.79Å; Y585-F594 HydrophobicContact CE1-CG 4.35Å; Y585-F594 HydrophobicContact CE2-CD2 4.41Å; Y585-F594 AromaticContact CZ-CD2 3.87Å; F594-G596 VanDerWaalsContact CE2-C 3.44Å; F594-G596 VanDerWaalsContact CE2-O 3.24Å; F594-G596 WeakPolarHBondContact CE2-O 3.39Å; F594-G596 WeakPolarHBondContact CZ-O 3.29Å; F594-Q597 HydrophobicContact CE2-CB 4.07Å; F594-Q597 HydrophobicContact CZ-CB 3.74Å; F594-Q597 HydrophobicContact CZ-CG 3.94Å; F594-K618 HydrophobicContact CD1-CG 4.26Å; F594-K618 HydrophobicContact CE1-CG 3.72Å; F594-K618 HydrophobicContact CE2-CD 4.39Å; F594-K618 HydrophobicContact CE2-CG 4.14Å; F594-K618 HydrophobicContact CZ-CD 4.34Å; F594-K618 HydrophobicContact CZ-CG 3.62Å |
| 595 | L | 87.3 | Confident | 83.5 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -23.2 | -179.6 | -64.7 | 178.3 | 0 | 0 | 0 | 112.9 | L530 Q533 V539 I584 N586 | L530-L595 HydrophobicContact CD1-CD1 4.27Å; Q533-L595 HydrophobicContact CG-CD2 4.13Å; V539-L595 HydrophobicContact CG1-CD1 3.65Å; I584-L595 HydrophobicContact CB-CB 4.31Å; I584-L595 HydrophobicContact CG2-CB 4.29Å; I584-L595 HydrophobicContact CG2-CD1 4.11Å; I584-L595 PolarHBondContact O-N 2.8Å; N586-L595 HydrophobicContact CB-CD1 4.04Å; N586-L595 HydrophobicContact CB-CD2 4.16Å; N586-L595 HydrophobicContact CB-CG 4.12Å |
| 596 | G | 90.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | 167.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I584 F594 R616 | I584-G596 PolarHBondContact N-O 3.11Å; I584-G596 PolarHBondContact O-N 2.76Å; F594-G596 VanDerWaalsContact CE2-C 3.44Å; F594-G596 VanDerWaalsContact CE2-O 3.24Å; F594-G596 WeakPolarHBondContact CE2-O 3.39Å; F594-G596 WeakPolarHBondContact CZ-O 3.29Å; G596-R616 WeakPolarHBondContact CA-O 3.24Å |
| 597 | Q | 92.7 | Very high | 80.2 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.5 | 176.2 | 65.4 | 176.7 | -1.1 | 0 | 0 | 112.5 | I582 E583 F594 R616 D617 | I582-Q597 CarbonylContact O-C 3.25Å; I582-Q597 WeakPolarHBondContact O-CA 3.15Å; E583-Q597 HydrophobicContact CG-CB 4.18Å; F594-Q597 HydrophobicContact CE2-CB 4.07Å; F594-Q597 HydrophobicContact CZ-CB 3.74Å; F594-Q597 HydrophobicContact CZ-CG 3.94Å; Q597-R616 WeakPolarHBondContact CG-O 3.39Å; Q597-R616 PolarHBondContact N-O 2.92Å; Q597-R616 PolarHBondContact O-N 2.87Å; Q597-D617 PolarHBondContact NE2-O 3.49Å |
| 598 | V | 91.3 | Very high | 78.9 | Confident | 7 Ų | 7 | 80.2 Ų | 80.2 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134 | 164.9 | 178.9 | 0 | 0 | 0 | 0 | 108 | I582 L600 L613 L615 L630 | I582-V598 PolarHBondContact N-O 2.86Å; I582-V598 PolarHBondContact O-N 3.47Å; V598-L600 HydrophobicContact CG1-CD1 4.49Å; V598-L600 HydrophobicContact CG1-CD2 3.72Å; V598-L600 HydrophobicContact CG1-CG 3.93Å; V598-L613 HydrophobicContact CG1-CB 4.07Å; V598-L613 HydrophobicContact CG1-CD1 3.46Å; V598-L613 VanDerWaalsContact CG1-CD1 3.46Å; V598-L613 HydrophobicContact CG1-CG 4.42Å; V598-L613 HydrophobicContact CG2-CB 4.26Å; V598-L615 HydrophobicContact CG2-CD2 3.94Å; V598-L630 HydrophobicContact CB-CD2 4.12Å; V598-L630 HydrophobicContact CG2-CB 4Å; V598-L630 HydrophobicContact CG2-CD2 3.73Å |
| 599 | V | 90.4 | Very high | 78.2 | Confident | 53 Ų | 53 | 83.4 Ų | 83.4 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.9 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | A579 I580 F601 | A579-V599 HydrophobicContact CB-CG1 3.52Å; I580-V599 WeakPolarHBondContact O-CA 3.37Å; V599-F601 HydrophobicContact CG1-CE2 4.12Å; V599-F601 HydrophobicContact CG1-CZ 4.3Å |
| 600 | L | 87.6 | Confident | 78.4 | Confident | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142 | -176.4 | -59.6 | 170.4 | 0 | 0 | 0 | 110.2 | A579 I580 I582 V598 L613 V632 L634 | A579-L600 WeakPolarHBondContact CA-O 3.16Å; I580-L600 HydrophobicContact CB-CB 4.36Å; I580-L600 PolarHBondContact N-O 2.77Å; I580-L600 PolarHBondContact O-N 2.64Å; I582-L600 HydrophobicContact CD1-CD1 3.51Å; I582-L600 HydrophobicContact CG1-CD1 4.43Å; V598-L600 HydrophobicContact CG1-CD1 4.49Å; V598-L600 HydrophobicContact CG1-CD2 3.72Å; V598-L600 HydrophobicContact CG1-CG 3.93Å; L600-L613 HydrophobicContact CD2-CD1 3.33Å; L600-V632 HydrophobicContact CD1-CG2 3.83Å; L600-L634 HydrophobicContact CB-CD1 3.94Å; L600-L634 HydrophobicContact CD1-CD1 3.71Å; L600-L634 HydrophobicContact CD1-CD2 4.01Å; L600-L634 HydrophobicContact CD1-CG 4.05Å; L600-L634 HydrophobicContact CD2-CD1 4.31Å; L600-L634 HydrophobicContact CG-CD1 4.17Å |
| 601 | F | 84.6 | Confident | 78.8 | Confident | 141 Ų | 141 | 73.7 Ų | 73.7 | 62% | 0.618 | 35% | 0.354 | S | S | * | . | trans | -114.7 | 136.6 | 166.6 | -60.2 | -90.6 | 0 | 0 | 0 | 106.2 | A579 V599 | A579-F601 HydrophobicContact CB-CD1 4.05Å; A579-F601 HydrophobicContact CB-CE1 3.58Å; A579-F601 HydrophobicContact CB-CE2 4.45Å; A579-F601 HydrophobicContact CB-CZ 3.8Å; V599-F601 HydrophobicContact CG1-CE2 4.12Å; V599-F601 HydrophobicContact CG1-CZ 4.3Å | ||
| 602 | S | 72.1 | Confident | 79.2 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | trans | -118.8 | 134.1 | 176 | 75.2 | 0 | 0 | 0 | 0 | 110.4 | R573 T636 | R573-S602 PolarHBondContact NH1-OG 2.8Å; S602-T636 VanDerWaalsContact CB-OG1 3.25Å; S602-T636 WeakPolarHBondContact CB-OG1 3.33Å; S602-T636 PolarHBondContact OG-OG1 2.78Å | ||
| 603 | E | 70.4 | Confident | 79.2 | Confident | 136 Ų | 136 | 70.3 Ų | 70.3 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | trans | -94.2 | 151.9 | 170.3 | -64 | -163.6 | 170.7 | 0 | 0 | 110.1 | E606 | E603-E606 HydrophobicContact CB-CG 4.27Å; E603-E606 PolarHBondContact N-OE2 2.86Å | ||
| 604 | P | 65.8 | Low | 79.3 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 140.2 | -178.8 | -12.8 | 26.3 | 0 | 0 | 0 | 111.6 | L518 E606 T638 | L518-P604 HydrophobicContact CD2-CB 4.11Å; L518-P604 HydrophobicContact CD2-CG 4.12Å; P604-E606 VanDerWaalsContact C-N 3.32Å; P604-E606 PolarHBondContact O-N 2.59Å; P604-T638 HydrophobicContact CB-CG2 3.8Å; P604-T638 HydrophobicContact CG-CG2 4.5Å |
| 605 | N | 60.2 | Low | 79.2 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 18.3 | 179.3 | -57.8 | -24.5 | 0 | 0 | 0 | 116 | R607 T636 | N605-R607 PolarHBondContact O-N 3.14Å; N605-T636 PolarHBondContact N-O 2.86Å; N605-T636 VanDerWaalsContact N-O 3.11Å |
| 606 | E | 57.1 | Low | 79.3 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | trans | -61.8 | 125.6 | 163.5 | -75.6 | 175.6 | 154.1 | 0 | 0 | 109.5 | E603 P604 | E603-E606 HydrophobicContact CB-CG 4.27Å; E603-E606 PolarHBondContact N-OE2 2.86Å; P604-E606 VanDerWaalsContact C-N 3.32Å; P604-E606 PolarHBondContact O-N 2.59Å | ||
| 607 | R | 56.5 | Low | 79 | Confident | 215 Ų | 215 | 81 Ų | 81 | 81% | 0.811 | 39% | 0.386 | S | S | * | . | trans | -60.2 | 156.4 | 171.1 | -72.2 | -179.9 | 177.4 | 178.3 | -0.4 | 108.3 | N605 E609 | N605-R607 PolarHBondContact O-N 3.14Å; R607-E609 PolarHBondContact O-N 3.45Å | ||
| 608 | Q | 61.9 | Low | 78.1 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | trans | -55.7 | 77.2 | 175 | -88.8 | -178 | -25.3 | 0 | 0 | 111.7 | L634 F635 | Q608-L634 WeakPolarHBondContact CA-O 3.33Å; Q608-F635 HydrophobicContact CG-CB 3.95Å; Q608-F635 HydrophobicContact CG-CD2 4.26Å; Q608-F635 HydrophobicContact CG-CG 4.34Å | ||
| 609 | E | 68 | Low | 76.5 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.8 | 174.8 | -74.5 | -169.5 | -177.9 | 0 | 0 | 107.9 | R607 H611 | R607-E609 PolarHBondContact O-N 3.45Å; E609-H611 PolarHBondContact O-CD2 2.83Å; E609-H611 IonicContact OE2-CE1 3.45Å |
| 610 | Q | 83.8 | Confident | 74.5 | Confident | 103 Ų | 103 | 90.1 Ų | 90.1 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.4 | 172.2 | -177.4 | 175.1 | -53.9 | 0 | 0 | 107.5 | T631 V632 R633 | Q610-T631 HydrophobicContact CG-CG2 3.66Å; Q610-V632 WeakPolarHBondContact CA-O 3.16Å; Q610-R633 HydrophobicContact CB-CG 3.98Å; Q610-R633 HydrophobicContact CG-CG 4.11Å |
| 611 | H | 85.4 | Confident | 72.5 | Confident | 55 Ų | 55 | 100.3 Ų | 100.3 | 26% | 0.255 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.4 | 176 | -52.6 | -76.3 | 0 | 0 | 0 | 108.9 | E609 L613 T631 V632 | E609-H611 PolarHBondContact O-CD2 2.83Å; E609-H611 IonicContact OE2-CE1 3.45Å; H611-L613 HydrophobicContact CB-CD1 3.96Å; H611-L613 HydrophobicContact CB-CD2 4.45Å; H611-L613 HydrophobicContact CB-CG 4.01Å; H611-T631 WeakPolarHBondContact O-CA 3.47Å; H611-V632 HydrophobicContact CB-CG2 4.08Å; H611-V632 PolarHBondContact N-O 3.4Å; H611-V632 PolarHBondContact O-N 3.12Å |
| 612 | T | 89.9 | Confident | 70.7 | Confident | 72 Ų | 72 | 102 Ų | 102 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116 | 167.7 | -60.9 | 0 | 0 | 0 | 0 | 107.3 | M629 L630 T631 | T612-M629 HydrophobicContact CG2-CB 4.01Å; T612-M629 HydrophobicContact CG2-SD 4.2Å; T612-L630 WeakPolarHBondContact CA-O 3.47Å; T612-T631 PolarHBondContact OG1-OG1 3.02Å |
| 613 | L | 89.4 | Confident | 69.8 | Low | 58 Ų | 58 | 108.2 Ų | 108.2 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.6 | -167.1 | -62.6 | 168.6 | 0 | 0 | 0 | 110.7 | V598 L600 H611 M629 L630 V632 | V598-L613 HydrophobicContact CG1-CB 4.07Å; V598-L613 HydrophobicContact CG1-CD1 3.46Å; V598-L613 VanDerWaalsContact CG1-CD1 3.46Å; V598-L613 HydrophobicContact CG1-CG 4.42Å; V598-L613 HydrophobicContact CG2-CB 4.26Å; L600-L613 HydrophobicContact CD2-CD1 3.33Å; H611-L613 HydrophobicContact CB-CD1 3.96Å; H611-L613 HydrophobicContact CB-CD2 4.45Å; H611-L613 HydrophobicContact CB-CG 4.01Å; L613-M629 CarbonylContact O-C 3.52Å; L613-M629 WeakPolarHBondContact O-CA 3.46Å; L613-L630 PolarHBondContact N-O 3.11Å; L613-L630 PolarHBondContact O-N 2.77Å; L613-V632 HydrophobicContact CD1-CG2 4.36Å |
| 614 | H | 90.1 | Very high | 69.3 | Low | 94 Ų | 94 | 107.8 Ų | 107.8 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.3 | 173.8 | -73.1 | -74.8 | 0 | 0 | 0 | 111.6 | D625 | H614-D625 HydrophobicContact CB-CB 4.1Å; H614-D625 IonicContact CD2-OD2 3.67Å; H614-D625 IonicContact CG-OD2 2.81Å |
| 615 | L | 88.9 | Confident | 69.6 | Low | 0 Ų | 0 | 108.5 Ų | 108.5 | 0% | 0 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 143.2 | 175.4 | -66.2 | -178.6 | 0 | 0 | 0 | 111.1 | L530 I584 V598 I626 G628 L630 | L530-L615 HydrophobicContact CD2-CD1 3.59Å; I584-L615 HydrophobicContact CD1-CD1 4.08Å; I584-L615 HydrophobicContact CD1-CD2 3.72Å; I584-L615 HydrophobicContact CG1-CD2 4.26Å; V598-L615 HydrophobicContact CG2-CD2 3.94Å; L615-I626 HydrophobicContact CB-CB 4.38Å; L615-I626 PolarHBondContact O-N 3.07Å; L615-G628 PolarHBondContact N-O 3.21Å; L615-G628 VanDerWaalsContact N-O 3.12Å; L615-L630 HydrophobicContact CD2-CB 4.06Å |
| 616 | R | 87.9 | Confident | 70.7 | Confident | 140 Ų | 140 | 104.5 Ų | 104.5 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.8 | -179.4 | -62.7 | 179.8 | 177.4 | 171.9 | -1.3 | 112.1 | G596 Q597 | G596-R616 WeakPolarHBondContact CA-O 3.24Å; Q597-R616 WeakPolarHBondContact CG-O 3.39Å; Q597-R616 PolarHBondContact N-O 2.92Å; Q597-R616 PolarHBondContact O-N 2.87Å |
| 617 | D | 84.6 | Confident | 71.9 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | trans | -78.4 | 165.4 | 174.2 | -153.9 | -6.6 | 0 | 0 | 0 | 112.9 | Q597 G619 I626 | Q597-D617 PolarHBondContact NE2-O 3.49Å; D617-G619 VanDerWaalsContact C-N 3.29Å; D617-G619 PolarHBondContact O-N 2.79Å; D617-I626 HydrophobicContact CB-CD1 3.78Å | ||
| 618 | K | 73.4 | Confident | 73.3 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -71.8 | -20.5 | 175.8 | -64 | -164.2 | -174.7 | -150.4 | 0 | 113.4 | E583 Y585 F594 S620 | E583-K618 WeakPolarHBondContact OE1-CE 3.45Å; E583-K618 IonicContact OE1-NZ 3.84Å; E583-K618 PolarHBondContact OE1-NZ 2.83Å; E583-K618 IonicContact OE2-NZ 3.92Å; Y585-K618 PolarHBondContact OH-NZ 2.88Å; F594-K618 HydrophobicContact CD1-CG 4.26Å; F594-K618 HydrophobicContact CE1-CG 3.72Å; F594-K618 HydrophobicContact CE2-CD 4.39Å; F594-K618 HydrophobicContact CE2-CG 4.14Å; F594-K618 HydrophobicContact CZ-CD 4.34Å; F594-K618 HydrophobicContact CZ-CG 3.62Å; K618-S620 PolarHBondContact O-N 3.17Å |
| 619 | G | 58.2 | Low | 74.7 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -91.1 | 93.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | D617 R621 | D617-G619 VanDerWaalsContact C-N 3.29Å; D617-G619 PolarHBondContact O-N 2.79Å; G619-R621 PolarHBondContact O-N 2.91Å |
| 620 | S | 49.6 | Very low | 75.9 | Confident | 112 Ų | 112 | 86.7 Ų | 86.7 | 78% | 0.783 | 45% | 0.448 | S | S | * | . | trans | -68.4 | 116.3 | 176.6 | 136 | 0 | 0 | 0 | 0 | 111.9 | K618 | K618-S620 PolarHBondContact O-N 3.17Š| ||
| 621 | R | 45.5 | Very low | 76.4 | Confident | 226 Ų | 226 | 82.2 Ų | 82.2 | 85% | 0.853 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -172.8 | 109.4 | 131.4 | -99.2 | 167.3 | -170.2 | -168.3 | 3.6 | 108.4 | G619 | G619-R621 PolarHBondContact O-N 2.91Š|
| 622 | Q | 46.1 | Very low | 76.8 | Confident | 176 Ų | 176 | 79.6 Ų | 79.6 | 82% | 0.822 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 74.4 | 121.6 | 176 | -64.4 | 176.2 | -33.5 | 0 | 0 | 117 | N624 | Q622-N624 VanDerWaalsContact C-N 3.3Å; Q622-N624 PolarHBondContact O-N 3.48Å |
| 623 | D | 53.2 | Low | 76.9 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 75% | 0.749 | 41% | 0.411 | S | S | * | . | trans | 20.4 | 47 | 149.8 | -57.9 | -22.9 | 0 | 0 | 0 | 119.8 | D625 | D623-D625 PolarHBondContact O-N 3.49Š| ||
| 624 | N | 60.7 | Low | 76.9 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 68% | 0.679 | 40% | 0.398 | S | S | * | . | trans | -98.2 | 79.7 | 166.8 | -72 | -19.5 | 0 | 0 | 0 | 108.9 | Q622 I626 | Q622-N624 VanDerWaalsContact C-N 3.3Å; Q622-N624 PolarHBondContact O-N 3.48Å; N624-I626 PolarHBondContact O-N 3.05Å | ||
| 625 | D | 71.6 | Confident | 76.8 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 120.3 | 170 | -70.8 | -22.2 | 0 | 0 | 0 | 108.9 | H614 D623 | H614-D625 HydrophobicContact CB-CB 4.1Å; H614-D625 IonicContact CD2-OD2 3.67Å; H614-D625 IonicContact CG-OD2 2.81Å; D623-D625 PolarHBondContact O-N 3.49Å |
| 626 | I | 83.3 | Confident | 76.8 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 16% | 0.159 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149 | 173.5 | -59.1 | -179.8 | 0 | 0 | 0 | 107.9 | L615 D617 N624 G628 | L615-I626 HydrophobicContact CB-CB 4.38Å; L615-I626 PolarHBondContact O-N 3.07Å; D617-I626 HydrophobicContact CB-CD1 3.78Å; N624-I626 PolarHBondContact O-N 3.05Å; I626-G628 PolarHBondContact O-N 2.85Å |
| 627 | P | 81.7 | Confident | 76.8 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 116.2 | 175.2 | -27.7 | 35.4 | 0 | 0 | 0 | 112.7 | G529 Q531 | G529-P627 CarbonylContact O-C 3.44Å; Q531-P627 HydrophobicContact CB-CB 4.41Å |
| 628 | G | 86.2 | Confident | 76.9 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.4 | 146.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E528 G529 L615 I626 | E528-G628 CarbonylContact O-C 3.51Å; E528-G628 WeakPolarHBondContact O-CA 3.2Å; G529-G628 PolarHBondContact O-N 2.76Å; L615-G628 PolarHBondContact N-O 3.21Å; L615-G628 VanDerWaalsContact N-O 3.12Å; I626-G628 PolarHBondContact O-N 2.85Å |
| 629 | M | 91.4 | Very high | 77.4 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.1 | 171 | -64.5 | -175.3 | -63.9 | 0 | 0 | 109.1 | A527 E528 T612 L613 | A527-M629 CarbonylContact C-O 3.51Å; A527-M629 WeakPolarHBondContact CA-O 3.33Å; E528-M629 PolarHBondContact N-O 3.49Å; E528-M629 PolarHBondContact O-N 2.97Å; T612-M629 HydrophobicContact CG2-CB 4.01Å; T612-M629 HydrophobicContact CG2-SD 4.2Å; L613-M629 CarbonylContact O-C 3.52Å; L613-M629 WeakPolarHBondContact O-CA 3.46Å |
| 630 | L | 93.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.8 | 176 | -174.4 | 69.7 | 0 | 0 | 0 | 109.4 | V524 S526 A527 I582 I584 V598 T612 L613 L615 V632 | V524-L630 HydrophobicContact CG1-CD1 3.7Å; V524-L630 HydrophobicContact CG1-CG 4.45Å; S526-L630 WeakPolarHBondContact O-CD1 3.39Å; A527-L630 HydrophobicContact CB-CD1 4.03Å; I582-L630 HydrophobicContact CB-CD2 4.22Å; I582-L630 HydrophobicContact CG2-CD2 3.7Å; I584-L630 HydrophobicContact CD1-CD1 3.72Å; I584-L630 HydrophobicContact CD1-CG 4.49Å; V598-L630 HydrophobicContact CB-CD2 4.12Å; V598-L630 HydrophobicContact CG2-CB 4Å; V598-L630 HydrophobicContact CG2-CD2 3.73Å; T612-L630 WeakPolarHBondContact CA-O 3.47Å; L613-L630 PolarHBondContact N-O 3.11Å; L613-L630 PolarHBondContact O-N 2.77Å; L615-L630 HydrophobicContact CD2-CB 4.06Å; L630-V632 HydrophobicContact CD2-CG1 3.57Å; L630-V632 HydrophobicContact CG-CG1 3.7Å |
| 631 | T | 94.6 | Very high | 80.2 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.3 | 173.5 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | V525 S526 Q610 H611 T612 | V525-T631 HydrophobicContact CB-CG2 4.07Å; V525-T631 WeakPolarHBondContact CB-O 3.25Å; V525-T631 HydrophobicContact CG2-CG2 4.33Å; V525-T631 PolarHBondContact N-O 3.23Å; S526-T631 PolarHBondContact N-O 3.02Å; S526-T631 PolarHBondContact O-N 3.38Å; Q610-T631 HydrophobicContact CG-CG2 3.66Å; H611-T631 WeakPolarHBondContact O-CA 3.47Å; T612-T631 PolarHBondContact OG1-OG1 3.02Å |
| 632 | V | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.9 | -177.5 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | H523 V524 I582 L600 Q610 H611 L613 L630 | H523-V632 CarbonylContact O-C 3.58Å; H523-V632 VanDerWaalsContact O-CA 3.29Å; H523-V632 WeakPolarHBondContact O-CA 3.26Å; V524-V632 HydrophobicContact CG1-CG1 4.48Å; V524-V632 HydrophobicContact CG2-CG1 4.2Å; I582-V632 HydrophobicContact CD1-CG1 3.82Å; L600-V632 HydrophobicContact CD1-CG2 3.83Å; Q610-V632 WeakPolarHBondContact CA-O 3.16Å; H611-V632 HydrophobicContact CB-CG2 4.08Å; H611-V632 PolarHBondContact N-O 3.4Å; H611-V632 PolarHBondContact O-N 3.12Å; L613-V632 HydrophobicContact CD1-CG2 4.36Å; L630-V632 HydrophobicContact CD2-CG1 3.57Å; L630-V632 HydrophobicContact CG-CG1 3.7Å |
| 633 | R | 91.6 | Very high | 83 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 35% | 0.347 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.7 | 168.2 | -57.9 | 173.5 | 178.6 | 166.2 | -0.6 | 109 | H523 V525 Q610 | H523-R633 HydrophobicContact CB-CB 4.17Å; H523-R633 PolarHBondContact N-O 3.05Å; H523-R633 PolarHBondContact O-N 3.46Å; V525-R633 HydrophobicContact CG2-CG 4.27Å; Q610-R633 HydrophobicContact CB-CG 3.98Å; Q610-R633 HydrophobicContact CG-CG 4.11Å |
| 634 | L | 89.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.2 | 178.3 | -71.2 | 167.9 | 0 | 0 | 0 | 109.8 | T520 V522 I580 L600 Q608 | T520-L634 HydrophobicContact CG2-CD2 4.34Å; V522-L634 HydrophobicContact CB-CD2 4.25Å; V522-L634 HydrophobicContact CG1-CD2 4.06Å; V522-L634 HydrophobicContact CG2-CD2 3.8Å; I580-L634 HydrophobicContact CD1-CD2 4.24Å; L600-L634 HydrophobicContact CB-CD1 3.94Å; L600-L634 HydrophobicContact CD1-CD1 3.71Å; L600-L634 HydrophobicContact CD1-CD2 4.01Å; L600-L634 HydrophobicContact CD1-CG 4.05Å; L600-L634 HydrophobicContact CD2-CD1 4.31Å; L600-L634 HydrophobicContact CG-CD1 4.17Å; Q608-L634 WeakPolarHBondContact CA-O 3.33Å |
| 635 | F | 88.3 | Confident | 85.7 | Confident | 56 Ų | 56 | 37.1 Ų | 37.1 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.4 | 168.5 | -178 | -116.8 | 0 | 0 | 0 | 109.2 | T520 Q521 Q608 I643 | T520-F635 CarbonylContact C-O 3.52Å; T520-F635 VanDerWaalsContact CA-O 3.29Å; T520-F635 WeakPolarHBondContact CA-O 3.5Å; Q521-F635 HydrophobicContact CB-CB 4.36Å; Q521-F635 PolarHBondContact N-O 3.48Å; Q521-F635 PolarHBondContact O-N 3.31Å; Q608-F635 HydrophobicContact CG-CB 3.95Å; Q608-F635 HydrophobicContact CG-CD2 4.26Å; Q608-F635 HydrophobicContact CG-CG 4.34Å; F635-I643 HydrophobicContact CD1-CD1 3.56Å; F635-I643 HydrophobicContact CD1-CG1 3.69Å; F635-I643 HydrophobicContact CE1-CD1 4Å; F635-I643 HydrophobicContact CE1-CG1 3.69Å |
| 636 | T | 88.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.6 | -179.7 | -60.8 | 0 | 0 | 0 | 0 | 111 | L518 V519 T520 S602 N605 | L518-T636 HydrophobicContact CB-CG2 4.26Å; L518-T636 HydrophobicContact CD1-CG2 4.17Å; L518-T636 HydrophobicContact CD2-CG2 4.27Å; L518-T636 HydrophobicContact CG-CG2 4.49Å; V519-T636 WeakPolarHBondContact O-CA 3.41Å; T520-T636 VanDerWaalsContact CG2-OG1 3.28Å; T520-T636 WeakPolarHBondContact CG2-OG1 3.25Å; T520-T636 WeakPolarHBondContact OG1-CG2 3.19Å; T520-T636 PolarHBondContact OG1-OG1 3.22Å; S602-T636 VanDerWaalsContact CB-OG1 3.25Å; S602-T636 WeakPolarHBondContact CB-OG1 3.33Å; S602-T636 PolarHBondContact OG-OG1 2.78Å; N605-T636 PolarHBondContact N-O 2.86Å; N605-T636 VanDerWaalsContact N-O 3.11Å |
| 637 | S | 87.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.9 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L518 V519 T639 N642 | L518-S637 WeakPolarHBondContact CA-O 3.21Å; V519-S637 PolarHBondContact N-O 2.8Å; V519-S637 PolarHBondContact O-N 3.34Å; S637-T639 PolarHBondContact OG-N 3.47Å; S637-T639 PolarHBondContact OG-O 3.48Å; S637-N642 VanDerWaalsContact OG-CB 3.28Å; S637-N642 WeakPolarHBondContact OG-CB 3.47Å; S637-N642 PolarHBondContact OG-ND2 2.84Å |
| 638 | T | 86.9 | Confident | 87 | Confident | 76 Ų | 76 | 32.3 Ų | 32.3 | 47% | 0.466 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -77.1 | -26.3 | 169 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | L518 P604 | L518-T638 HydrophobicContact CD2-CG2 3.61Å; P604-T638 HydrophobicContact CB-CG2 3.8Å; P604-T638 HydrophobicContact CG-CG2 4.5Å |
| 639 | T | 85.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -83.4 | 114.8 | 170 | -51.1 | 0 | 0 | 0 | 0 | 108.7 | V519 S637 T641 N642 | V519-T639 WeakPolarHBondContact CG1-O 3.47Å; S637-T639 PolarHBondContact OG-N 3.47Å; S637-T639 PolarHBondContact OG-O 3.48Å; T639-T641 WeakPolarHBondContact CG2-OG1 3.04Å; T639-T641 PolarHBondContact O-N 3.27Å; T639-N642 WeakPolarHBondContact CB-ND2 3.44Å; T639-N642 WeakPolarHBondContact O-CB 3.32Å; T639-N642 PolarHBondContact O-N 2.81Å; T639-N642 VanDerWaalsContact O-N 3.13Å |
| 640 | L | 83.3 | Confident | 86.8 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.089 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23 | -175.5 | -60.4 | -174.1 | 0 | 0 | 0 | 113.6 | D503 Y515 P516 V519 Y572 | D503-L640 HydrophobicContact CB-CB 4.4Å; Y515-L640 HydrophobicContact CD1-CD1 4.47Å; Y515-L640 HydrophobicContact CE1-CD1 3.55Å; P516-L640 HydrophobicContact CB-CD1 4.18Å; P516-L640 HydrophobicContact CB-CD2 4.24Å; V519-L640 HydrophobicContact CB-CD2 4.19Å; Y572-L640 HydrophobicContact CD1-CB 4.47Å; Y572-L640 HydrophobicContact CD1-CD2 4.25Å; Y572-L640 HydrophobicContact CE1-CB 4.19Å |
| 641 | T | 82.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 13.3 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | H441 D502 D503 T639 I643 | H441-T641 WeakPolarHBondContact CB-O 3.37Å; D502-T641 HydrophobicContact CB-CG2 4.47Å; D503-T641 HydrophobicContact CB-CG2 4.37Å; T639-T641 WeakPolarHBondContact CG2-OG1 3.04Å; T639-T641 PolarHBondContact O-N 3.27Å; T641-I643 VanDerWaalsContact C-N 3.27Å; T641-I643 PolarHBondContact O-N 2.84Å |
| 642 | N | 79.6 | Confident | 85.6 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | trans | -83.7 | 5.5 | 178.7 | -84.7 | -3 | 0 | 0 | 0 | 114.1 | T442 S637 T639 | T442-N642 PolarHBondContact OG1-O 3.05Å; S637-N642 VanDerWaalsContact OG-CB 3.28Å; S637-N642 WeakPolarHBondContact OG-CB 3.47Å; S637-N642 PolarHBondContact OG-ND2 2.84Å; T639-N642 WeakPolarHBondContact CB-ND2 3.44Å; T639-N642 WeakPolarHBondContact O-CB 3.32Å; T639-N642 PolarHBondContact O-N 2.81Å; T639-N642 VanDerWaalsContact O-N 3.13Å | ||
| 643 | I | 70.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -125.3 | 0 | -171.9 | -53.6 | -168.7 | 0 | 0 | 0 | 114 | R436 Q444 V519 Q521 L570 F635 T641 | R436-I643 VanDerWaalsContact NH2-C 3.35Å; R436-I643 PolarHBondContact NH2-O 2.83Å; R436-I643 PolarHBondContact NH2-OXT 3.13Å; Q444-I643 PolarHBondContact NE2-OXT 3.09Å; V519-I643 HydrophobicContact CB-CD1 4.26Å; V519-I643 HydrophobicContact CG1-CD1 3.63Å; V519-I643 HydrophobicContact CG1-CG1 3.83Å; V519-I643 HydrophobicContact CG2-CD1 3.96Å; V519-I643 HydrophobicContact CG2-CG1 4.46Å; Q521-I643 HydrophobicContact CB-CD1 3.98Å; Q521-I643 HydrophobicContact CB-CG2 3.94Å; Q521-I643 HydrophobicContact CG-CG2 4.26Å; L570-I643 HydrophobicContact CD1-CB 4Å; L570-I643 HydrophobicContact CD1-CD1 4.14Å; L570-I643 HydrophobicContact CD1-CG2 3.52Å; F635-I643 HydrophobicContact CD1-CD1 3.56Å; F635-I643 HydrophobicContact CD1-CG1 3.69Å; F635-I643 HydrophobicContact CE1-CD1 4Å; F635-I643 HydrophobicContact CE1-CG1 3.69Å; T641-I643 VanDerWaalsContact C-N 3.27Å; T641-I643 PolarHBondContact O-N 2.84Å |
Retrieved 643 of 643 residues in 608.1 ms
(Link to these results)