| 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 | 45.2 | Very low | 80.2 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 83% | 0.833 | 38% | 0.38 | S | S | * | . | 0 | 137.3 | 0 | -71 | 177.4 | -174.3 | 0 | 0 | 107.9 | K3 | M1-K3 PolarHBondContact O-N 3.07Š| |||
| 2 | R | 50.2 | Low | 81 | Confident | 197 Ų | 197 | 74.3 Ų | 74.3 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | trans | -52.1 | 130.2 | 162.1 | -106.3 | 176.6 | 172.3 | 156.5 | -4 | 106.3 | D4 | R2-D4 PolarHBondContact O-N 3.25Š| ||
| 3 | K | 56.3 | Low | 81.1 | Confident | 205 Ų | 205 | 71.8 Ų | 71.8 | 89% | 0.891 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.6 | -177.7 | -81.1 | -175.1 | 175.4 | -179.3 | 0 | 113 | M1 | M1-K3 PolarHBondContact O-N 3.07Š|
| 4 | D | 80.9 | Confident | 80.6 | Confident | 141 Ų | 141 | 75.1 Ų | 75.1 | 75% | 0.754 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 29.6 | -169.7 | -48.2 | -38.5 | 0 | 0 | 0 | 113.5 | R2 | R2-D4 PolarHBondContact O-N 3.25Š|
| 5 | C | 89.7 | Confident | 80.7 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | trans | -129.1 | 154 | 176.8 | 76.2 | 0 | 0 | 0 | 0 | 113 | C95 V96 | C5-C95 HydrophobicContact CB-CB 4.1Å; C5-C95 WeakPolarHBondContact CB-SG 3.49Å; C5-C95 VanDerWaalsContact SG-CA 3.59Å; C5-C95 WeakPolarHBondContact SG-CB 3Å; C5-C95 CovalentContact SG-SG 2.02Å; C5-C95 PolarHBondContact SG-SG 2.8Å; C5-V96 WeakPolarHBondContact CA-O 3.21Å; C5-V96 WeakPolarHBondContact CB-O 3.39Å | ||
| 6 | T | 92.1 | Very high | 81.4 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.6 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 110 | V8 V96 T98 A101 | T6-V8 PolarHBondContact O-N 2.85Å; T6-V96 PolarHBondContact N-O 3.46Å; T6-V96 PolarHBondContact O-N 2.77Å; T6-T98 WeakPolarHBondContact CB-O 3.42Å; T6-T98 PolarHBondContact OG1-O 3.07Å; T6-A101 HydrophobicContact CG2-CB 3.88Å |
| 7 | A | 92.4 | Very high | 81.9 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 115 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | K93 Y94 | A7-K93 HydrophobicContact CB-CG 4.43Å; A7-Y94 WeakPolarHBondContact CA-O 3.01Å |
| 8 | V | 94.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.1 | 178.3 | 167.6 | 0 | 0 | 0 | 0 | 108.7 | T6 Y94 V96 T98 A101 Q107 F108 L138 | T6-V8 PolarHBondContact O-N 2.85Å; V8-Y94 PolarHBondContact N-O 2.98Å; V8-Y94 PolarHBondContact O-N 3.29Å; V8-V96 HydrophobicContact CB-CB 4.14Å; V8-V96 HydrophobicContact CB-CG2 3.63Å; V8-V96 HydrophobicContact CG1-CG2 4.13Å; V8-V96 HydrophobicContact CG2-CB 3.7Å; V8-V96 HydrophobicContact CG2-CG1 4.34Å; V8-V96 HydrophobicContact CG2-CG2 3.77Å; V8-T98 HydrophobicContact CG2-CG2 4.44Å; V8-A101 HydrophobicContact CG2-CB 4.03Å; V8-Q107 HydrophobicContact CG1-CB 3.94Å; V8-Q107 HydrophobicContact CG1-CG 4.3Å; V8-F108 HydrophobicContact CG1-CD2 3.99Å; V8-F108 HydrophobicContact CG1-CE2 4.29Å; V8-L138 HydrophobicContact CG2-CD1 4.14Å |
| 9 | F | 94.7 | Very high | 82.6 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.2 | 175.8 | -69.7 | -83.8 | 0 | 0 | 0 | 111 | M33 C36 S37 F54 F91 R92 K93 H106 Q107 F108 | F9-M33 HydrophobicContact CD2-CG 4.37Å; F9-M33 HydrophobicContact CE2-CB 4.09Å; F9-M33 HydrophobicContact CE2-CG 4.3Å; F9-M33 HydrophobicContact CZ-CB 4.38Å; F9-C36 HydrophobicContact CE1-CB 4.2Å; F9-C36 HydrophobicContact CZ-CB 4.09Å; F9-S37 WeakPolarHBondContact CE2-OG 3.38Å; F9-S37 WeakPolarHBondContact CZ-OG 3.46Å; F9-F54 HydrophobicContact CD1-CE1 4.13Å; F9-F54 HydrophobicContact CE1-CD1 4.41Å; F9-F54 AromaticContact CE1-CE1 3.71Å; F9-F54 HydrophobicContact CE1-CE1 3.71Å; F9-F54 HydrophobicContact CZ-CE1 4.4Å; F9-F91 HydrophobicContact CD1-CB 4.26Å; F9-R92 WeakPolarHBondContact CA-O 3.38Å; F9-K93 HydrophobicContact CD1-CB 4.1Å; F9-K93 HydrophobicContact CE1-CB 3.7Å; F9-K93 HydrophobicContact CE1-CD 4.43Å; F9-K93 HydrophobicContact CE1-CG 4.01Å; F9-K93 HydrophobicContact CZ-CB 4.33Å; F9-K93 HydrophobicContact CZ-CD 4.32Å; F9-K93 HydrophobicContact CZ-CG 4.14Å; F9-H106 HydrophobicContact CB-CB 4.24Å; F9-H106 WeakPolarHBondContact O-CA 3.42Å; F9-H106 WeakPolarHBondContact O-CB 3.16Å; F9-Q107 PolarHBondContact O-N 2.87Å; F9-F108 PolarHBondContact O-N 2.91Å |
| 10 | V | 94.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.3 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | R92 Y94 F108 F110 L134 Y184 | V10-R92 PolarHBondContact N-O 2.84Å; V10-R92 PolarHBondContact O-N 2.79Å; V10-Y94 HydrophobicContact CB-CD2 4.21Å; V10-Y94 HydrophobicContact CB-CE2 3.84Å; V10-Y94 HydrophobicContact CG2-CD2 3.5Å; V10-Y94 HydrophobicContact CG2-CE2 3.44Å; V10-Y94 VanDerWaalsContact CG2-CE2 3.44Å; V10-F108 CarbonylContact C-O 3.51Å; V10-F108 WeakPolarHBondContact CA-O 3.23Å; V10-F108 HydrophobicContact CG1-CB 4.29Å; V10-F108 HydrophobicContact CG2-CB 4.15Å; V10-F110 HydrophobicContact CG1-CB 3.6Å; V10-L134 HydrophobicContact CG2-CD1 4.13Å; V10-Y184 HydrophobicContact CG1-CD1 3.85Å; V10-Y184 HydrophobicContact CG1-CE1 3.91Å; V10-Y184 HydrophobicContact CG2-CD1 4.48Å; V10-Y184 HydrophobicContact CG2-CE1 4.49Å |
| 11 | R | 92.3 | Very high | 83.5 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.5 | 178.5 | -176.8 | -177.7 | 68.2 | 176.9 | -10 | 110.7 | A89 F91 H106 F108 D109 F110 | R11-A89 HydrophobicContact CG-CB 4.11Å; R11-F91 HydrophobicContact CB-CD1 3.96Å; R11-F91 HydrophobicContact CB-CE1 3.69Å; R11-F91 HydrophobicContact CB-CZ 4.31Å; R11-F91 HydrophobicContact CG-CD1 4.2Å; R11-F91 HydrophobicContact CG-CE1 3.66Å; R11-F91 HydrophobicContact CG-CE2 4.36Å; R11-F91 HydrophobicContact CG-CZ 3.74Å; R11-H106 HydrophobicContact CB-CB 4.13Å; R11-H106 VanDerWaalsContact CB-CD2 3.47Å; R11-H106 WeakPolarHBondContact CB-CD2 3.47Å; R11-H106 PolarHBondContact NE-NE2 2.91Å; R11-F108 PolarHBondContact N-O 2.72Å; R11-D109 WeakPolarHBondContact CB-OD1 3.33Å; R11-D109 IonicContact CZ-OD1 3.14Å; R11-D109 IonicContact CZ-OD2 3.69Å; R11-D109 IonicContact NE-OD1 2.73Å; R11-D109 PolarHBondContact NE-OD1 3.42Å; R11-D109 IonicContact NH2-OD1 2.75Å; R11-D109 PolarHBondContact NH2-OD1 2.81Å; R11-D109 IonicContact NH2-OD2 2.7Å; R11-D109 PolarHBondContact NH2-OD2 2.79Å; R11-F110 PolarHBondContact O-N 3.08Å |
| 12 | W | 89.9 | Confident | 85.8 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 93.5 | 167.1 | -67.9 | 44.2 | 0 | 0 | 0 | 106.1 | V15 F78 A89 F90 F110 | W12-V15 HydrophobicContact CB-CB 3.96Å; W12-V15 HydrophobicContact CB-CG1 4.47Å; W12-V15 HydrophobicContact CB-CG2 4.15Å; W12-V15 HydrophobicContact CE3-CG1 4.26Å; W12-V15 HydrophobicContact CE3-CG2 4.4Å; W12-F78 HydrophobicContact CE3-CE2 4.4Å; W12-F78 AromaticContact CH2-CE2 3.69Å; W12-F78 HydrophobicContact CH2-CE2 3.69Å; W12-F78 AromaticContact CH2-CZ 3.57Å; W12-F78 HydrophobicContact CH2-CZ 3.57Å; W12-F78 HydrophobicContact CZ2-CE2 4.07Å; W12-F78 AromaticContact CZ2-CZ 3.7Å; W12-F78 HydrophobicContact CZ2-CZ 3.7Å; W12-F78 AromaticContact CZ3-CE2 3.87Å; W12-F78 HydrophobicContact CZ3-CE2 3.87Å; W12-F78 HydrophobicContact CZ3-CZ 4.24Å; W12-A89 WeakPolarHBondContact O-CA 3.35Å; W12-F90 HydrophobicContact CB-CB 4.15Å; W12-F90 HydrophobicContact CB-CD1 4.3Å; W12-F90 HydrophobicContact CD2-CD1 4.38Å; W12-F90 HydrophobicContact CG-CD1 4.11Å; W12-F90 PolarHBondContact N-O 2.84Å; W12-F90 PolarHBondContact O-N 2.83Å; W12-F110 AromaticContact CD1-CD1 3.98Å; W12-F110 AromaticContact CD2-CD1 3.4Å; W12-F110 HydrophobicContact CD2-CD1 3.4Å; W12-F110 VanDerWaalsContact CD2-CD1 3.4Å; W12-F110 AromaticContact CD2-CE1 3.9Å; W12-F110 HydrophobicContact CD2-CE1 3.9Å; W12-F110 HydrophobicContact CD2-CG 4.28Å; W12-F110 AromaticContact CE2-CD1 3.19Å; W12-F110 AromaticContact CE2-CE1 3.6Å; W12-F110 AromaticContact CE2-CG 3.77Å; W12-F110 AromaticContact CE3-CD1 3.83Å; W12-F110 HydrophobicContact CE3-CD1 3.83Å; W12-F110 AromaticContact CE3-CE1 3.9Å; W12-F110 HydrophobicContact CE3-CE1 3.9Å; W12-F110 HydrophobicContact CG-CB 4.28Å; W12-F110 AromaticContact CG-CD1 3.9Å; W12-F110 HydrophobicContact CG-CD1 3.9Å; W12-F110 HydrophobicContact CG-CG 4.49Å; W12-F110 AromaticContact CH2-CD1 3.9Å; W12-F110 HydrophobicContact CH2-CD1 3.9Å; W12-F110 AromaticContact CH2-CE1 3.37Å; W12-F110 HydrophobicContact CH2-CE1 3.37Å; W12-F110 AromaticContact CH2-CZ 4Å; W12-F110 HydrophobicContact CH2-CZ 4Å; W12-F110 AromaticContact CZ2-CD1 3.46Å; W12-F110 HydrophobicContact CZ2-CD1 3.46Å; W12-F110 VanDerWaalsContact CZ2-CD1 3.46Å; W12-F110 AromaticContact CZ2-CE1 3.33Å; W12-F110 HydrophobicContact CZ2-CE1 3.33Å; W12-F110 HydrophobicContact CZ2-CG 4.11Å; W12-F110 AromaticContact CZ2-CZ 3.89Å; W12-F110 HydrophobicContact CZ2-CZ 3.89Å; W12-F110 HydrophobicContact CZ3-CD1 4.07Å; W12-F110 AromaticContact CZ3-CE1 3.66Å; W12-F110 HydrophobicContact CZ3-CE1 3.66Å; W12-F110 AromaticContact NE1-CD1 3.55Å; W12-F110 AromaticContact NE1-CG 3.67Å |
| 13 | A | 81.1 | Confident | 87.9 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V15 | A13-V15 PolarHBondContact O-N 2.85Å |
| 14 | R | 74.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 41.7 Ų | 41.7 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 29.4 | 178.3 | -52.5 | 167.8 | 173.3 | -122.8 | 9.6 | 113.6 | A84 N85 D86 Y88 | R14-A84 CarbonylContact O-C 3.59Å; R14-A84 WeakPolarHBondContact O-CA 3.43Å; R14-N85 CarbonylContact C-O 3.54Å; R14-N85 VanDerWaalsContact C-O 3.29Å; R14-N85 VanDerWaalsContact CA-O 3.27Å; R14-N85 WeakPolarHBondContact CA-O 3.48Å; R14-N85 PolarHBondContact O-N 2.94Å; R14-D86 WeakPolarHBondContact CB-OD1 3.38Å; R14-D86 WeakPolarHBondContact CD-OD1 3.32Å; R14-D86 VanDerWaalsContact CG-OD1 3.23Å; R14-D86 WeakPolarHBondContact CG-OD1 3.35Å; R14-D86 IonicContact CZ-OD1 2.9Å; R14-D86 IonicContact NE-OD1 3.4Å; R14-D86 IonicContact NH1-OD1 3.25Å; R14-D86 PolarHBondContact NH1-OD1 3.05Å; R14-D86 IonicContact NH1-OD2 2.85Å; R14-D86 PolarHBondContact NH1-OD2 2.03Å; R14-Y88 VanDerWaalsContact CA-O 3.26Å; R14-Y88 WeakPolarHBondContact CA-O 3.47Å; R14-Y88 PolarHBondContact N-O 3.44Å |
| 15 | V | 82.2 | Confident | 90.2 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 16% | 0.158 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | W12 A13 I17 A82 E83 A89 F90 | W12-V15 HydrophobicContact CB-CB 3.96Å; W12-V15 HydrophobicContact CB-CG1 4.47Å; W12-V15 HydrophobicContact CB-CG2 4.15Å; W12-V15 HydrophobicContact CE3-CG1 4.26Å; W12-V15 HydrophobicContact CE3-CG2 4.4Å; A13-V15 PolarHBondContact O-N 2.85Å; V15-I17 HydrophobicContact CG1-CD1 4.03Å; V15-A82 HydrophobicContact CG1-CB 3.96Å; V15-E83 WeakPolarHBondContact CA-O 3.38Å; V15-A89 CarbonylContact O-C 3.47Å; V15-F90 HydrophobicContact CB-CB 4.42Å; V15-F90 HydrophobicContact CG1-CB 4.29Å; V15-F90 PolarHBondContact O-N 3.08Å |
| 16 | R | 91 | Very high | 90.3 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.2 | 168.2 | -178.2 | 172.1 | 175.8 | -87.8 | -10 | 108.6 | S18 N55 E83 N85 Y88 | R16-S18 PolarHBondContact NH1-OG 2.88Å; R16-N55 WeakPolarHBondContact CG-ND2 3.16Å; R16-E83 HydrophobicContact CB-CG 3.87Å; R16-E83 WeakPolarHBondContact CD-OE1 3.33Å; R16-E83 IonicContact CZ-OE1 3.43Å; R16-E83 PolarHBondContact N-O 3.21Å; R16-E83 IonicContact NH1-OE1 2.61Å; R16-E83 PolarHBondContact NH1-OE1 3.49Å; R16-E83 WeakPolarHBondContact O-CG 3.21Å; R16-E83 PolarHBondContact O-N 3.43Å; R16-N85 HydrophobicContact CB-CB 3.86Å; R16-Y88 HydrophobicContact CB-CG 4.21Å; R16-Y88 HydrophobicContact CG-CD1 4.32Å; R16-Y88 HydrophobicContact CG-CD2 4.48Å; R16-Y88 HydrophobicContact CG-CG 4.17Å |
| 17 | I | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.3 | 170.5 | -52.8 | -49.1 | 0 | 0 | 0 | 108.2 | V15 V19 N55 F70 F78 A82 F90 | V15-I17 HydrophobicContact CG1-CD1 4.03Å; I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 HydrophobicContact CG2-CG1 4.23Å; I17-V19 HydrophobicContact CG2-CG2 3.84Å; I17-V19 PolarHBondContact O-N 3.19Å; I17-N55 PolarHBondContact N-ND2 3.42Å; I17-N55 PolarHBondContact N-OD1 2.87Å; I17-N55 PolarHBondContact O-ND2 3.46Å; I17-F70 HydrophobicContact CB-CE2 4Å; I17-F70 HydrophobicContact CB-CZ 4.1Å; I17-F70 HydrophobicContact CG2-CZ 4.47Å; I17-F78 HydrophobicContact CD1-CD2 3.65Å; I17-F78 HydrophobicContact CD1-CE2 4.2Å; I17-F78 HydrophobicContact CG1-CD2 4.39Å; I17-F78 HydrophobicContact CG2-CB 4.49Å; I17-A82 HydrophobicContact CD1-CB 3.89Å; I17-F90 HydrophobicContact CB-CD2 4.49Å; I17-F90 HydrophobicContact CD1-CB 4.46Å; I17-F90 HydrophobicContact CD1-CD1 4Å; I17-F90 HydrophobicContact CD1-CD2 4.41Å; I17-F90 HydrophobicContact CD1-CE1 4.41Å; I17-F90 HydrophobicContact CD1-CG 4.02Å; I17-F90 HydrophobicContact CG1-CB 4.2Å; I17-F90 HydrophobicContact CG1-CD1 3.9Å; I17-F90 HydrophobicContact CG1-CD2 3.46Å; I17-F90 VanDerWaalsContact CG1-CD2 3.46Å; I17-F90 HydrophobicContact CG1-CE1 4.16Å; I17-F90 HydrophobicContact CG1-CE2 3.78Å; I17-F90 HydrophobicContact CG1-CG 3.56Å; I17-F90 HydrophobicContact CG1-CZ 4.15Å |
| 18 | S | 88.7 | Confident | 90 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | trans | -91.7 | 51.7 | -176.9 | -86.5 | 0 | 0 | 0 | 0 | 113 | R16 Y81 E83 | R16-S18 PolarHBondContact NH1-OG 2.88Å; S18-Y81 PolarHBondContact N-O 2.79Å; S18-E83 PolarHBondContact OG-OE1 3.36Å; S18-E83 PolarHBondContact OG-OE2 3.46Å | ||
| 19 | V | 88.1 | Confident | 89.7 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -113.2 | 157.8 | 167.3 | -56.9 | 0 | 0 | 0 | 0 | 110 | I17 P21 F70 Y81 | I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 HydrophobicContact CG2-CG1 4.23Å; I17-V19 HydrophobicContact CG2-CG2 3.84Å; I17-V19 PolarHBondContact O-N 3.19Å; V19-P21 WeakPolarHBondContact O-CD 3.16Å; V19-F70 HydrophobicContact CG2-CD1 3.43Å; V19-F70 VanDerWaalsContact CG2-CD1 3.43Å; V19-F70 HydrophobicContact CG2-CE1 3.3Å; V19-F70 HydrophobicContact CG2-CG 4.42Å; V19-F70 HydrophobicContact CG2-CZ 4.2Å; V19-F70 WeakPolarHBondContact O-CE1 3.44Å; V19-Y81 HydrophobicContact CG1-CD1 3.38Å; V19-Y81 HydrophobicContact CG1-CD2 3.47Å; V19-Y81 VanDerWaalsContact CG1-CD2 3.47Å; V19-Y81 HydrophobicContact CG1-CE1 3.52Å; V19-Y81 HydrophobicContact CG1-CE2 3.6Å; V19-Y81 HydrophobicContact CG1-CG 3.29Å |
| 20 | T | 91.6 | Very high | 89.3 | Confident | 120 Ų | 120 | 41.1 Ų | 41.1 | 74% | 0.736 | 25% | 0.25 | S | C | * | . | trans | -61.2 | 121 | 173.9 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | Q74 | T20-Q74 PolarHBondContact O-NE2 3.35Š| ||
| 21 | P | 93 | Very high | 89.2 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | trans | -71.4 | 149.8 | 179.7 | 28.7 | -33.6 | 0 | 0 | 0 | 111.7 | V19 A23 S24 Q68 F69 F70 | V19-P21 WeakPolarHBondContact O-CD 3.16Å; P21-A23 VanDerWaalsContact C-N 3.31Å; P21-S24 VanDerWaalsContact CG-OG 3.26Å; P21-S24 WeakPolarHBondContact CG-OG 3.39Å; P21-Q68 HydrophobicContact CB-CB 3.89Å; P21-Q68 HydrophobicContact CG-CB 4.15Å; P21-F69 CarbonylContact C-O 3.53Å; P21-F69 WeakPolarHBondContact CA-O 3.38Å; P21-F69 WeakPolarHBondContact CB-O 3.3Å; P21-F70 HydrophobicContact CB-CD1 4.3Å; P21-F70 HydrophobicContact CB-CE1 3.81Å; P21-F70 HydrophobicContact CB-CZ 4.35Å | ||
| 22 | A | 92.8 | Very high | 89.2 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -71.3 | -29.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y41 M49 F69 E71 | A22-Y41 PolarHBondContact O-OH 3.28Å; A22-M49 HydrophobicContact CB-SD 4.2Å; A22-F69 PolarHBondContact N-O 3.22Å; A22-E71 HydrophobicContact CB-CG 3.9Å |
| 23 | A | 93.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P21 Y41 P42 M49 F69 | P21-A23 VanDerWaalsContact C-N 3.31Å; A23-Y41 HydrophobicContact CB-CE1 4.08Å; A23-Y41 HydrophobicContact CB-CE2 3.93Å; A23-P42 HydrophobicContact CB-CG 4.01Å; A23-M49 HydrophobicContact CB-SD 3.97Å; A23-F69 HydrophobicContact CB-CB 4.46Å; A23-F69 HydrophobicContact CB-CD2 4.35Å; A23-F69 WeakPolarHBondContact O-CD2 3.23Å; A23-F69 PolarHBondContact O-N 3.17Å |
| 24 | S | 94 | Very high | 89.8 | Confident | 57 Ų | 57 | 42.4 Ų | 42.4 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 161.7 | 170.1 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | P21 C67 | P21-S24 VanDerWaalsContact CG-OG 3.26Å; P21-S24 WeakPolarHBondContact CG-OG 3.39Å; S24-C67 CarbonylContact C-O 3.51Å; S24-C67 WeakPolarHBondContact CA-O 3.38Å; S24-C67 WeakPolarHBondContact CB-O 2.82Å |
| 25 | G | 91.6 | Very high | 90.6 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 152.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H27 C67 | G25-H27 PolarHBondContact O-CD2 2.85Å; G25-H27 PolarHBondContact O-N 3.43Å; G25-C67 PolarHBondContact N-O 2.87Å; G25-C67 PolarHBondContact O-N 3.16Å |
| 26 | S | 92.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 37 Ų | 37 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | trans | -80.8 | 110.3 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | A62 V63 S65 | S26-A62 CarbonylContact C-O 3.46Å; S26-V63 PolarHBondContact OG-O 2.87Å; S26-S65 VanDerWaalsContact CA-O 3.23Å; S26-S65 WeakPolarHBondContact CA-O 3.28Å; S26-S65 VanDerWaalsContact CB-O 3.3Å; S26-S65 WeakPolarHBondContact CB-O 3.49Å; S26-S65 PolarHBondContact OG-O 3.26Å | ||
| 27 | H | 89.3 | Confident | 91.3 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | trans | -149.2 | 157.1 | -173.8 | -65.1 | -61.5 | 0 | 0 | 0 | 110 | G25 T31 C32 A62 S65 | G25-H27 PolarHBondContact O-CD2 2.85Å; G25-H27 PolarHBondContact O-N 3.43Å; H27-T31 HydrophobicContact CB-CG2 4.11Å; H27-C32 WeakPolarHBondContact CB-SG 3.33Å; H27-A62 PolarHBondContact N-O 3.46Å; H27-S65 VanDerWaalsContact O-CB 3.27Å; H27-S65 WeakPolarHBondContact O-CB 3.46Å | ||
| 28 | S | 87.5 | Confident | 91.3 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | trans | -68.6 | 154.3 | 168.8 | 68 | 0 | 0 | 0 | 0 | 110.8 | G30 T31 C32 | S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 2.83Å; S28-T31 WeakPolarHBondContact O-CA 3.48Å; S28-T31 WeakPolarHBondContact O-CB 3.48Å; S28-T31 PolarHBondContact O-N 2.97Å; S28-T31 PolarHBondContact OG-OG1 2.82Å; S28-C32 PolarHBondContact O-N 2.93Å; S28-C32 PolarHBondContact O-SG 3.45Å; S28-C32 VanDerWaalsContact O-SG 3.4Å | ||
| 29 | L | 88.5 | Confident | 91.3 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -50.6 | -47.3 | 179.9 | -176.8 | 58.9 | 0 | 0 | 0 | 113.1 | T31 C32 M33 F54 Y56 F91 T105 | L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 2.96Å; L29-C32 PolarHBondContact O-N 3.33Å; L29-M33 HydrophobicContact CD1-CE 3.37Å; L29-M33 HydrophobicContact CD1-SD 4.23Å; L29-M33 HydrophobicContact CD2-CE 3.97Å; L29-M33 HydrophobicContact CG-CE 3.49Å; L29-M33 VanDerWaalsContact CG-CE 3.49Å; L29-M33 HydrophobicContact CG-SD 3.89Å; L29-M33 WeakPolarHBondContact O-CG 3.5Å; L29-M33 PolarHBondContact O-N 3.29Å; L29-F54 HydrophobicContact CD1-CE2 4.01Å; L29-F54 HydrophobicContact CD1-CZ 4.32Å; L29-Y56 HydrophobicContact CB-CD2 4.41Å; L29-Y56 HydrophobicContact CB-CE1 4.06Å; L29-Y56 HydrophobicContact CB-CE2 3.9Å; L29-Y56 HydrophobicContact CD1-CD1 3.91Å; L29-Y56 HydrophobicContact CD1-CD2 3.8Å; L29-Y56 HydrophobicContact CD1-CE1 4.23Å; L29-Y56 HydrophobicContact CD1-CE2 4.17Å; L29-Y56 HydrophobicContact CD1-CG 3.67Å; L29-Y56 PolarHBondContact N-OH 3.42Å; L29-F91 HydrophobicContact CD1-CD2 4.21Å; L29-F91 HydrophobicContact CD1-CE1 4.32Å; L29-F91 HydrophobicContact CD1-CE2 3.67Å; L29-F91 HydrophobicContact CD1-CZ 3.74Å; L29-F91 HydrophobicContact CD2-CZ 4.04Å; L29-T105 HydrophobicContact CD2-CG2 4.07Å; L29-T105 HydrophobicContact CG-CG2 4.37Å |
| 30 | G | 87.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 40 Ų | 40 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S28 M33 S34 | S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 2.83Å; G30-M33 PolarHBondContact O-N 3.11Å; G30-S34 PolarHBondContact O-N 3.33Å |
| 31 | T | 91 | Very high | 91.3 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 175.2 | -54 | 0 | 0 | 0 | 0 | 110.8 | H27 S28 L29 M33 S34 L35 | H27-T31 HydrophobicContact CB-CG2 4.11Å; S28-T31 WeakPolarHBondContact O-CA 3.48Å; S28-T31 WeakPolarHBondContact O-CB 3.48Å; S28-T31 PolarHBondContact O-N 2.97Å; S28-T31 PolarHBondContact OG-OG1 2.82Å; L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 2.96Å; T31-M33 VanDerWaalsContact C-N 3.28Å; T31-M33 PolarHBondContact O-N 3.41Å; T31-S34 PolarHBondContact O-N 2.81Å; T31-L35 HydrophobicContact CG2-CD1 4.14Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.3Å |
| 32 | C | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | H27 S28 L29 L35 C36 F54 C67 F69 | H27-C32 WeakPolarHBondContact CB-SG 3.33Å; S28-C32 PolarHBondContact O-N 2.93Å; S28-C32 PolarHBondContact O-SG 3.45Å; S28-C32 VanDerWaalsContact O-SG 3.4Å; L29-C32 PolarHBondContact O-N 3.33Å; C32-L35 PolarHBondContact O-N 3.35Å; C32-C36 WeakPolarHBondContact O-CB 3.31Å; C32-C36 PolarHBondContact O-N 2.82Å; C32-F54 HydrophobicContact CB-CD2 4.13Å; C32-F54 HydrophobicContact CB-CE2 3.84Å; C32-F54 HydrophobicContact CB-CZ 4.08Å; C32-C67 HydrophobicContact CB-CB 3.89Å; C32-C67 WeakPolarHBondContact CB-SG 3.48Å; C32-C67 WeakPolarHBondContact SG-CB 3.34Å; C32-C67 CovalentContact SG-SG 1.99Å; C32-C67 PolarHBondContact SG-SG 2.89Å; C32-F69 HydrophobicContact CB-CE1 4.14Å; C32-F69 HydrophobicContact CB-CZ 3.91Å; C32-F69 WeakPolarHBondContact O-CE1 3.48Å |
| 33 | M | 91.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.1 | -70.6 | 160.1 | 174.4 | 0 | 0 | 112 | F9 L29 G30 T31 C36 S37 F54 F91 T105 | F9-M33 HydrophobicContact CD2-CG 4.37Å; F9-M33 HydrophobicContact CE2-CB 4.09Å; F9-M33 HydrophobicContact CE2-CG 4.3Å; F9-M33 HydrophobicContact CZ-CB 4.38Å; L29-M33 HydrophobicContact CD1-CE 3.37Å; L29-M33 HydrophobicContact CD1-SD 4.23Å; L29-M33 HydrophobicContact CD2-CE 3.97Å; L29-M33 HydrophobicContact CG-CE 3.49Å; L29-M33 VanDerWaalsContact CG-CE 3.49Å; L29-M33 HydrophobicContact CG-SD 3.89Å; L29-M33 WeakPolarHBondContact O-CG 3.5Å; L29-M33 PolarHBondContact O-N 3.29Å; G30-M33 PolarHBondContact O-N 3.11Å; T31-M33 VanDerWaalsContact C-N 3.28Å; T31-M33 PolarHBondContact O-N 3.41Å; M33-C36 PolarHBondContact O-N 2.8Å; M33-S37 WeakPolarHBondContact O-CB 3.47Å; M33-S37 PolarHBondContact O-N 2.79Å; M33-S37 PolarHBondContact O-OG 2.81Å; M33-F54 HydrophobicContact CE-CZ 4.03Å; M33-F54 HydrophobicContact CG-CE1 4.09Å; M33-F54 HydrophobicContact CG-CZ 3.64Å; M33-F91 HydrophobicContact CE-CD1 3.44Å; M33-F91 VanDerWaalsContact CE-CD1 3.44Å; M33-F91 HydrophobicContact CE-CE1 3.43Å; M33-F91 VanDerWaalsContact CE-CE1 3.43Å; M33-F91 HydrophobicContact CE-CG 4.06Å; M33-F91 HydrophobicContact CE-CZ 4.06Å; M33-T105 VanDerWaalsContact CE-C 3.49Å; M33-T105 WeakPolarHBondContact CE-O 3.36Å; M33-T105 VanDerWaalsContact SD-C 3.5Å; M33-T105 WeakPolarHBondContact SD-CA 3.33Å; M33-T105 WeakPolarHBondContact SD-CB 3.34Å; M33-T105 HydrophobicContact SD-CG2 3.91Å |
| 34 | S | 91.3 | Very high | 90.3 | Very high | 62 Ų | 62 | 44 Ų | 44 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -52 | 174.7 | -161 | 0 | 0 | 0 | 0 | 110.8 | G30 T31 C36 S37 D38 | G30-S34 PolarHBondContact O-N 3.33Å; T31-S34 PolarHBondContact O-N 2.81Å; S34-C36 VanDerWaalsContact C-N 3.29Å; S34-C36 PolarHBondContact O-N 2.97Å; S34-S37 WeakPolarHBondContact O-CB 3.08Å; S34-S37 PolarHBondContact O-N 2.89Å; S34-S37 VanDerWaalsContact O-N 3.09Å; S34-D38 VanDerWaalsContact O-CB 3.32Å; S34-D38 WeakPolarHBondContact O-CB 3.1Å; S34-D38 PolarHBondContact O-N 2.8Å; S34-D38 PolarHBondContact OG-OD2 2.73Å |
| 35 | L | 93.5 | Very high | 89.8 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.2 | -45 | 179.2 | -69.9 | 172.1 | 0 | 0 | 0 | 111.8 | T31 C32 G39 A40 P42 F69 | T31-L35 HydrophobicContact CG2-CD1 4.14Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.3Å; C32-L35 PolarHBondContact O-N 3.35Å; L35-G39 PolarHBondContact O-N 3.43Å; L35-G39 VanDerWaalsContact O-N 3.08Å; L35-A40 HydrophobicContact CD2-CB 3.91Å; L35-A40 PolarHBondContact O-N 3.29Å; L35-P42 HydrophobicContact CD1-CB 4.23Å; L35-P42 HydrophobicContact CD1-CG 4.31Å; L35-F69 HydrophobicContact CB-CE1 4.21Å; L35-F69 HydrophobicContact CB-CZ 4.16Å; L35-F69 HydrophobicContact CD1-CZ 4.12Å |
| 36 | C | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | F9 C32 M33 S34 G39 C51 F54 F69 K93 | F9-C36 HydrophobicContact CE1-CB 4.2Å; F9-C36 HydrophobicContact CZ-CB 4.09Å; C32-C36 WeakPolarHBondContact O-CB 3.31Å; C32-C36 PolarHBondContact O-N 2.82Å; M33-C36 PolarHBondContact O-N 2.8Å; S34-C36 VanDerWaalsContact C-N 3.29Å; S34-C36 PolarHBondContact O-N 2.97Å; C36-G39 PolarHBondContact O-N 3.4Å; C36-C51 VanDerWaalsContact CA-SG 3.54Å; C36-C51 HydrophobicContact CB-CB 3.93Å; C36-C51 WeakPolarHBondContact CB-SG 3.32Å; C36-C51 WeakPolarHBondContact SG-CB 3.45Å; C36-C51 CovalentContact SG-SG 2.04Å; C36-C51 PolarHBondContact SG-SG 3.42Å; C36-F54 HydrophobicContact CB-CD1 3.89Å; C36-F54 HydrophobicContact CB-CE1 4.11Å; C36-F69 HydrophobicContact CB-CD1 4.2Å; C36-F69 HydrophobicContact CB-CE1 4.11Å; C36-K93 PolarHBondContact O-NZ 3.39Å |
| 37 | S | 92.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 176.3 | -78.6 | 0 | 0 | 0 | 0 | 112 | F9 M33 S34 G39 K93 | F9-S37 WeakPolarHBondContact CE2-OG 3.38Å; F9-S37 WeakPolarHBondContact CZ-OG 3.46Å; M33-S37 WeakPolarHBondContact O-CB 3.47Å; M33-S37 PolarHBondContact O-N 2.79Å; M33-S37 PolarHBondContact O-OG 2.81Å; S34-S37 WeakPolarHBondContact O-CB 3.08Å; S34-S37 PolarHBondContact O-N 2.89Å; S34-S37 VanDerWaalsContact O-N 3.09Å; S37-G39 PolarHBondContact O-N 2.7Å; S37-K93 VanDerWaalsContact CA-NZ 3.33Å; S37-K93 PolarHBondContact O-NZ 2.92Å |
| 38 | D | 90 | Very high | 89.3 | Confident | 108 Ų | 108 | 55 Ų | 55 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.8 | -10.8 | -175.6 | -56.4 | -29.9 | 0 | 0 | 0 | 112.2 | S34 A40 | S34-D38 VanDerWaalsContact O-CB 3.32Å; S34-D38 WeakPolarHBondContact O-CB 3.1Å; S34-D38 PolarHBondContact O-N 2.8Å; S34-D38 PolarHBondContact OG-OD2 2.73Å; D38-A40 VanDerWaalsContact C-N 3.25Å; D38-A40 PolarHBondContact O-N 3.37Å |
| 39 | G | 89.8 | Confident | 89.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 29 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 C36 S37 H48 M49 | L35-G39 PolarHBondContact O-N 3.43Å; L35-G39 VanDerWaalsContact O-N 3.08Å; C36-G39 PolarHBondContact O-N 3.4Å; S37-G39 PolarHBondContact O-N 2.7Å; G39-H48 CarbonylContact O-C 3.49Å; G39-H48 WeakPolarHBondContact O-CA 3.31Å; G39-H48 PolarHBondContact O-CD2 3.3Å; G39-H48 VanDerWaalsContact O-CD2 3.3Å; G39-M49 VanDerWaalsContact CA-O 3.22Å; G39-M49 WeakPolarHBondContact CA-O 3.27Å; G39-M49 PolarHBondContact O-N 3.4Å |
| 40 | A | 90 | Very high | 89.4 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -86.5 | 134.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L35 D38 | L35-A40 HydrophobicContact CD2-CB 3.91Å; L35-A40 PolarHBondContact O-N 3.29Å; D38-A40 VanDerWaalsContact C-N 3.25Å; D38-A40 PolarHBondContact O-N 3.37Å |
| 41 | Y | 90.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | trans | -75 | 124.3 | 174.3 | -158.6 | -81.8 | 0 | 0 | 0 | 110.5 | A22 A23 S43 K44 V47 M49 | A22-Y41 PolarHBondContact O-OH 3.28Å; A23-Y41 HydrophobicContact CB-CE1 4.08Å; A23-Y41 HydrophobicContact CB-CE2 3.93Å; Y41-S43 VanDerWaalsContact C-N 3.33Å; Y41-S43 VanDerWaalsContact CE1-OG 3.31Å; Y41-S43 WeakPolarHBondContact CE1-OG 3.27Å; Y41-S43 PolarHBondContact O-N 2.82Å; Y41-K44 HydrophobicContact CD1-CB 3.66Å; Y41-K44 HydrophobicContact CD1-CD 4.04Å; Y41-K44 HydrophobicContact CD1-CG 3.77Å; Y41-K44 HydrophobicContact CE1-CB 4.41Å; Y41-K44 HydrophobicContact CE1-CD 4.02Å; Y41-K44 HydrophobicContact CE1-CG 4.02Å; Y41-K44 HydrophobicContact CG-CB 4.13Å; Y41-K44 PolarHBondContact O-N 3.25Å; Y41-V47 VanDerWaalsContact CB-O 3.3Å; Y41-V47 WeakPolarHBondContact CB-O 3.34Å; Y41-V47 HydrophobicContact CD2-CG1 4.27Å; Y41-V47 HydrophobicContact CG-CB 4.47Å; Y41-V47 HydrophobicContact CG-CG1 4.34Å; Y41-V47 PolarHBondContact N-O 3.42Å; Y41-M49 HydrophobicContact CD2-CB 4.17Å; Y41-M49 HydrophobicContact CD2-SD 4.45Å | ||
| 42 | P | 85.4 | Confident | 89.9 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -38.1 | -170.6 | -27.2 | 32.6 | 0 | 0 | 0 | 115.6 | A23 L35 F69 | A23-P42 HydrophobicContact CB-CG 4.01Å; L35-P42 HydrophobicContact CD1-CB 4.23Å; L35-P42 HydrophobicContact CD1-CG 4.31Å; P42-F69 HydrophobicContact CB-CE2 4.35Å; P42-F69 HydrophobicContact CG-CD2 3.64Å; P42-F69 HydrophobicContact CG-CE2 3.4Å; P42-F69 HydrophobicContact CG-CZ 4.11Å |
| 43 | S | 84.2 | Confident | 90 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -0.7 | -175.5 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | Y41 | Y41-S43 VanDerWaalsContact C-N 3.33Å; Y41-S43 VanDerWaalsContact CE1-OG 3.31Å; Y41-S43 WeakPolarHBondContact CE1-OG 3.27Å; Y41-S43 PolarHBondContact O-N 2.82Å |
| 44 | K | 87.3 | Confident | 90.2 | Very high | 111 Ų | 111 | 48.8 Ų | 48.8 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -131.2 | 89.8 | -175.5 | -64.4 | -178.7 | -178.5 | 175.6 | 0 | 110 | Y41 G46 V47 | Y41-K44 HydrophobicContact CD1-CB 3.66Å; Y41-K44 HydrophobicContact CD1-CD 4.04Å; Y41-K44 HydrophobicContact CD1-CG 3.77Å; Y41-K44 HydrophobicContact CE1-CB 4.41Å; Y41-K44 HydrophobicContact CE1-CD 4.02Å; Y41-K44 HydrophobicContact CE1-CG 4.02Å; Y41-K44 HydrophobicContact CG-CB 4.13Å; Y41-K44 PolarHBondContact O-N 3.25Å; K44-G46 PolarHBondContact O-N 2.81Å; K44-V47 HydrophobicContact CB-CB 3.9Å; K44-V47 HydrophobicContact CB-CG2 3.68Å; K44-V47 HydrophobicContact CD-CG2 4.32Å; K44-V47 WeakPolarHBondContact O-CB 3.49Å; K44-V47 PolarHBondContact O-N 3.38Å; K44-V47 VanDerWaalsContact O-N 3.13Å |
| 45 | P | 84.2 | Confident | 90.4 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 84% | 0.838 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.6 | 176 | -25 | 34.1 | 0 | 0 | 0 | 111.5 | V47 | P45-V47 VanDerWaalsContact C-N 3.26Å; P45-V47 PolarHBondContact O-N 2.98Å |
| 46 | G | 85.2 | Confident | 90.5 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 95% | 0.948 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K44 | K44-G46 PolarHBondContact O-N 2.81Š|
| 47 | V | 89.6 | Confident | 90.3 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | trans | -88.6 | 131.5 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | Y41 K44 P45 | Y41-V47 VanDerWaalsContact CB-O 3.3Å; Y41-V47 WeakPolarHBondContact CB-O 3.34Å; Y41-V47 HydrophobicContact CD2-CG1 4.27Å; Y41-V47 HydrophobicContact CG-CB 4.47Å; Y41-V47 HydrophobicContact CG-CG1 4.34Å; Y41-V47 PolarHBondContact N-O 3.42Å; K44-V47 HydrophobicContact CB-CB 3.9Å; K44-V47 HydrophobicContact CB-CG2 3.68Å; K44-V47 HydrophobicContact CD-CG2 4.32Å; K44-V47 WeakPolarHBondContact O-CB 3.49Å; K44-V47 PolarHBondContact O-N 3.38Å; K44-V47 VanDerWaalsContact O-N 3.13Å; P45-V47 VanDerWaalsContact C-N 3.26Å; P45-V47 PolarHBondContact O-N 2.98Å | ||
| 48 | H | 88.5 | Confident | 89.7 | Confident | 132 Ų | 132 | 50 Ų | 50 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -94.7 | 138.3 | 178.2 | -177.6 | -83.8 | 0 | 0 | 0 | 111.3 | G39 | G39-H48 CarbonylContact O-C 3.49Å; G39-H48 WeakPolarHBondContact O-CA 3.31Å; G39-H48 PolarHBondContact O-CD2 3.3Å; G39-H48 VanDerWaalsContact O-CD2 3.3Å |
| 49 | M | 88.9 | Confident | 89 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -123 | 128.7 | 175.7 | 179 | 178 | 65.8 | 0 | 0 | 109 | A22 A23 G39 Y41 C51 F69 E71 | A22-M49 HydrophobicContact CB-SD 4.2Å; A23-M49 HydrophobicContact CB-SD 3.97Å; G39-M49 VanDerWaalsContact CA-O 3.22Å; G39-M49 WeakPolarHBondContact CA-O 3.27Å; G39-M49 PolarHBondContact O-N 3.4Å; Y41-M49 HydrophobicContact CD2-CB 4.17Å; Y41-M49 HydrophobicContact CD2-SD 4.45Å; M49-C51 HydrophobicContact CE-CB 3.94Å; M49-C51 PolarHBondContact O-N 3.18Å; M49-F69 HydrophobicContact CE-CB 3.42Å; M49-F69 VanDerWaalsContact CE-CB 3.42Å; M49-F69 HydrophobicContact CE-CD1 3.87Å; M49-F69 HydrophobicContact CE-CD2 4.43Å; M49-F69 HydrophobicContact CE-CG 3.66Å; M49-F69 HydrophobicContact SD-CB 3.89Å; M49-E71 HydrophobicContact CG-CG 3.82Å; M49-E71 WeakPolarHBondContact CG-OE1 3.29Å | ||
| 50 | A | 90.4 | Very high | 88.1 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | trans | -79.4 | 62.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A52 E71 H72 | A50-A52 PolarHBondContact O-N 3.24Å; A50-E71 PolarHBondContact N-OE1 2.86Å; A50-E71 WeakPolarHBondContact O-CA 3.48Å; A50-H72 PolarHBondContact O-N 3.37Å | ||
| 51 | C | 94.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 121.1 | -173.5 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | C36 M49 | C36-C51 VanDerWaalsContact CA-SG 3.54Å; C36-C51 HydrophobicContact CB-CB 3.93Å; C36-C51 WeakPolarHBondContact CB-SG 3.32Å; C36-C51 WeakPolarHBondContact SG-CB 3.45Å; C36-C51 CovalentContact SG-SG 2.04Å; C36-C51 PolarHBondContact SG-SG 3.42Å; M49-C51 HydrophobicContact CE-CB 3.94Å; M49-C51 PolarHBondContact O-N 3.18Å |
| 52 | A | 93.8 | Very high | 86.6 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -17.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A50 F70 H72 M75 K93 | A50-A52 PolarHBondContact O-N 3.24Å; A52-F70 PolarHBondContact N-O 2.8Å; A52-H72 HydrophobicContact CB-CB 4.31Å; A52-M75 HydrophobicContact CB-CB 4.23Å; A52-M75 HydrophobicContact CB-CG 3.87Å; A52-K93 WeakPolarHBondContact O-CB 3.07Å; A52-K93 PolarHBondContact O-N 3.21Å |
| 53 | G | 94.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F70 F91 | G53-F70 PolarHBondContact N-O 2.99Å; G53-F70 PolarHBondContact O-N 3.02Å; G53-F91 CarbonylContact C-O 3.46Å; G53-F91 WeakPolarHBondContact CA-O 3.43Å |
| 54 | F | 96.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 149.2 | 177.6 | 58.8 | -86.8 | 0 | 0 | 0 | 112.1 | F9 L29 C32 M33 C36 Q68 F69 F90 F91 | F9-F54 HydrophobicContact CD1-CE1 4.13Å; F9-F54 HydrophobicContact CE1-CD1 4.41Å; F9-F54 AromaticContact CE1-CE1 3.71Å; F9-F54 HydrophobicContact CE1-CE1 3.71Å; F9-F54 HydrophobicContact CZ-CE1 4.4Å; L29-F54 HydrophobicContact CD1-CE2 4.01Å; L29-F54 HydrophobicContact CD1-CZ 4.32Å; C32-F54 HydrophobicContact CB-CD2 4.13Å; C32-F54 HydrophobicContact CB-CE2 3.84Å; C32-F54 HydrophobicContact CB-CZ 4.08Å; M33-F54 HydrophobicContact CE-CZ 4.03Å; M33-F54 HydrophobicContact CG-CE1 4.09Å; M33-F54 HydrophobicContact CG-CZ 3.64Å; C36-F54 HydrophobicContact CB-CD1 3.89Å; C36-F54 HydrophobicContact CB-CE1 4.11Å; F54-Q68 CarbonylContact C-O 3.54Å; F54-Q68 WeakPolarHBondContact CA-O 3.45Å; F54-Q68 VanDerWaalsContact CB-O 3.26Å; F54-Q68 WeakPolarHBondContact CB-O 3.3Å; F54-F69 HydrophobicContact CB-CD1 3.73Å; F54-F69 HydrophobicContact CB-CE1 4.18Å; F54-F69 HydrophobicContact CB-CG 4.19Å; F54-F69 HydrophobicContact CD1-CD1 4.31Å; F54-F69 HydrophobicContact CD1-CE1 4.25Å; F54-F69 HydrophobicContact CG-CD1 4.22Å; F54-F69 HydrophobicContact CG-CE1 4.22Å; F54-F90 VanDerWaalsContact O-CD2 3.28Å; F54-F90 WeakPolarHBondContact O-CD2 3.47Å; F54-F91 HydrophobicContact CD1-CB 4.29Å; F54-F91 HydrophobicContact CD2-CB 4.38Å; F54-F91 HydrophobicContact CD2-CD2 4.31Å; F54-F91 HydrophobicContact CE1-CB 3.8Å; F54-F91 HydrophobicContact CE2-CB 3.89Å; F54-F91 AromaticContact CE2-CD2 3.64Å; F54-F91 HydrophobicContact CE2-CD2 3.64Å; F54-F91 HydrophobicContact CE2-CE2 4.44Å; F54-F91 AromaticContact CE2-CG 3.93Å; F54-F91 HydrophobicContact CE2-CG 3.93Å; F54-F91 HydrophobicContact CZ-CB 3.55Å; F54-F91 HydrophobicContact CZ-CD2 4.01Å; F54-F91 AromaticContact CZ-CG 3.8Å; F54-F91 HydrophobicContact CZ-CG 3.8Å; F54-F91 PolarHBondContact N-O 2.97Å; F54-F91 PolarHBondContact O-N 3.36Å |
| 55 | N | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.5 | 161 | -60.8 | -33.8 | 0 | 0 | 0 | 108.6 | R16 I17 C67 Q68 F70 Y88 F90 | R16-N55 WeakPolarHBondContact CG-ND2 3.16Å; I17-N55 PolarHBondContact N-ND2 3.42Å; I17-N55 PolarHBondContact N-OD1 2.87Å; I17-N55 PolarHBondContact O-ND2 3.46Å; N55-C67 CarbonylContact O-C 3.59Å; N55-C67 WeakPolarHBondContact O-CA 2.85Å; N55-Q68 HydrophobicContact CB-CB 4.09Å; N55-Q68 PolarHBondContact N-O 3.13Å; N55-Q68 PolarHBondContact ND2-OE1 3.21Å; N55-Q68 PolarHBondContact O-N 3.46Å; N55-F70 HydrophobicContact CB-CE2 4.33Å; N55-F70 VanDerWaalsContact ND2-CZ 3.34Å; N55-F70 WeakPolarHBondContact ND2-CZ 3.25Å; N55-Y88 HydrophobicContact CB-CD1 3.96Å; N55-Y88 HydrophobicContact CB-CE1 4.48Å; N55-F90 WeakPolarHBondContact OD1-CD2 3.33Å |
| 56 | Y | 94.7 | Very high | 86.6 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.8 | 170.2 | -175.6 | -106.9 | 0 | 0 | 0 | 109.4 | L29 Y58 S65 D66 C67 Y88 A89 F91 | L29-Y56 HydrophobicContact CB-CD2 4.41Å; L29-Y56 HydrophobicContact CB-CE1 4.06Å; L29-Y56 HydrophobicContact CB-CE2 3.9Å; L29-Y56 HydrophobicContact CD1-CD1 3.91Å; L29-Y56 HydrophobicContact CD1-CD2 3.8Å; L29-Y56 HydrophobicContact CD1-CE1 4.23Å; L29-Y56 HydrophobicContact CD1-CE2 4.17Å; L29-Y56 HydrophobicContact CD1-CG 3.67Å; L29-Y56 PolarHBondContact N-OH 3.42Å; Y56-Y58 AromaticContact CD1-CD1 3.79Å; Y56-Y58 HydrophobicContact CD1-CD1 3.79Å; Y56-Y58 HydrophobicContact CD1-CD2 4.18Å; Y56-Y58 AromaticContact CD1-CE1 3.77Å; Y56-Y58 HydrophobicContact CD1-CE1 3.77Å; Y56-Y58 HydrophobicContact CD1-CE2 4.18Å; Y56-Y58 AromaticContact CD1-CG 3.97Å; Y56-Y58 HydrophobicContact CD1-CG 3.97Å; Y56-Y58 AromaticContact CD1-CZ 3.97Å; Y56-Y58 AromaticContact CE1-CD1 3.46Å; Y56-Y58 HydrophobicContact CE1-CD1 3.46Å; Y56-Y58 VanDerWaalsContact CE1-CD1 3.46Å; Y56-Y58 AromaticContact CE1-CE1 3.74Å; Y56-Y58 HydrophobicContact CE1-CE1 3.74Å; Y56-Y58 AromaticContact CE1-CG 3.9Å; Y56-Y58 HydrophobicContact CE1-CG 3.9Å; Y56-S65 WeakPolarHBondContact OH-CB 3.34Å; Y56-S65 PolarHBondContact OH-OG 2.88Å; Y56-D66 CarbonylContact C-O 3.43Å; Y56-D66 WeakPolarHBondContact CA-O 3.31Å; Y56-C67 WeakPolarHBondContact CD2-SG 3.3Å; Y56-Y88 CarbonylContact O-C 3.5Å; Y56-Y88 VanDerWaalsContact O-CA 3.24Å; Y56-Y88 WeakPolarHBondContact O-CA 3.18Å; Y56-A89 PolarHBondContact N-O 3.34Å; Y56-A89 PolarHBondContact O-N 3.22Å; Y56-F91 HydrophobicContact CG-CE2 4.48Å |
| 57 | K | 91.6 | Very high | 87.1 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121 | 164.8 | -162.4 | -177.9 | -178.2 | 176 | 0 | 107.9 | G59 S65 D66 Y88 | K57-G59 PolarHBondContact O-N 2.88Å; K57-S65 WeakPolarHBondContact O-CA 3.48Å; K57-D66 HydrophobicContact CB-CB 3.92Å; K57-D66 PolarHBondContact N-O 3.43Å; K57-D66 PolarHBondContact O-N 2.75Å; K57-Y88 HydrophobicContact CB-CD1 3.82Å; K57-Y88 HydrophobicContact CB-CE1 3.46Å; K57-Y88 VanDerWaalsContact CB-CE1 3.46Å; K57-Y88 HydrophobicContact CB-CE2 4.38Å; K57-Y88 HydrophobicContact CB-CG 4.46Å; K57-Y88 HydrophobicContact CD-CE1 4.39Å; K57-Y88 HydrophobicContact CD-CE2 4.18Å; K57-Y88 HydrophobicContact CG-CD1 4.36Å; K57-Y88 HydrophobicContact CG-CD2 4.37Å; K57-Y88 HydrophobicContact CG-CE1 3.96Å; K57-Y88 HydrophobicContact CG-CE2 3.96Å |
| 58 | Y | 79.2 | Confident | 87.4 | Confident | 68 Ų | 68 | 36.7 Ų | 36.7 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | trans | -66.1 | 136.2 | 171.6 | -64.3 | -89.5 | 0 | 0 | 0 | 108.6 | Y56 Q87 A89 Y299 | Y56-Y58 AromaticContact CD1-CD1 3.79Å; Y56-Y58 HydrophobicContact CD1-CD1 3.79Å; Y56-Y58 HydrophobicContact CD1-CD2 4.18Å; Y56-Y58 AromaticContact CD1-CE1 3.77Å; Y56-Y58 HydrophobicContact CD1-CE1 3.77Å; Y56-Y58 HydrophobicContact CD1-CE2 4.18Å; Y56-Y58 AromaticContact CD1-CG 3.97Å; Y56-Y58 HydrophobicContact CD1-CG 3.97Å; Y56-Y58 AromaticContact CD1-CZ 3.97Å; Y56-Y58 AromaticContact CE1-CD1 3.46Å; Y56-Y58 HydrophobicContact CE1-CD1 3.46Å; Y56-Y58 VanDerWaalsContact CE1-CD1 3.46Å; Y56-Y58 AromaticContact CE1-CE1 3.74Å; Y56-Y58 HydrophobicContact CE1-CE1 3.74Å; Y56-Y58 AromaticContact CE1-CG 3.9Å; Y56-Y58 HydrophobicContact CE1-CG 3.9Å; Y58-Q87 PolarHBondContact N-O 3.24Å; Y58-A89 HydrophobicContact CE2-CB 3.77Å; Y58-A89 WeakPolarHBondContact OH-CB 3.47Å; Y58-Y299 PolarHBondContact O-OH 2.76Å | ||
| 59 | G | 74.8 | Confident | 87.7 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | trans | -128.3 | 167.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K57 S61 T64 S65 Y299 | K57-G59 PolarHBondContact O-N 2.88Å; G59-S61 PolarHBondContact O-N 3.01Å; G59-T64 WeakPolarHBondContact CA-OG1 3.46Å; G59-S65 PolarHBondContact N-OG 2.83Å; G59-Y299 VanDerWaalsContact CA-OH 3.27Å; G59-Y299 WeakPolarHBondContact CA-OH 3.37Å; G59-Y299 PolarHBondContact N-OH 3.34Å | ||
| 60 | S | 70.9 | Confident | 88 | Confident | 70 Ų | 70 | 30.4 Ų | 30.4 | 49% | 0.49 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -74.2 | -11.1 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 114 | T64 | S60-T64 PolarHBondContact N-OG1 2.86Š|
| 61 | S | 73.2 | Confident | 88.1 | Confident | 55 Ų | 55 | 31.7 Ų | 31.7 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -151.2 | 165.2 | 176.7 | 71.2 | 0 | 0 | 0 | 0 | 109.5 | G59 V63 T64 S65 | G59-S61 PolarHBondContact O-N 3.01Å; S61-V63 PolarHBondContact O-N 3.14Å; S61-V63 VanDerWaalsContact O-N 3.13Å; S61-V63 PolarHBondContact OG-N 3.34Å; S61-T64 PolarHBondContact N-OG1 3.47Å; S61-T64 PolarHBondContact O-N 3.4Å; S61-T64 PolarHBondContact O-OG1 2.83Å; S61-T64 PolarHBondContact OG-N 3.37Å; S61-T64 PolarHBondContact OG-OG1 3.03Å; S61-S65 PolarHBondContact O-N 3.3Å; S61-S65 PolarHBondContact O-OG 3.18Å |
| 62 | A | 74.8 | Confident | 87.8 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 41% | 0.413 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S26 H27 | S26-A62 CarbonylContact C-O 3.46Å; H27-A62 PolarHBondContact N-O 3.46Å |
| 63 | V | 79.4 | Confident | 87.4 | Confident | 118 Ų | 118 | 39.2 Ų | 39.2 | 72% | 0.715 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -31.2 | 178.9 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | S26 S61 | S26-V63 PolarHBondContact OG-O 2.87Å; S61-V63 PolarHBondContact O-N 3.14Å; S61-V63 VanDerWaalsContact O-N 3.13Å; S61-V63 PolarHBondContact OG-N 3.34Å |
| 64 | T | 82.1 | Confident | 86.8 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.8 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | G59 S60 S61 | G59-T64 WeakPolarHBondContact CA-OG1 3.46Å; S60-T64 PolarHBondContact N-OG1 2.86Å; S61-T64 PolarHBondContact N-OG1 3.47Å; S61-T64 PolarHBondContact O-N 3.4Å; S61-T64 PolarHBondContact O-OG1 2.83Å; S61-T64 PolarHBondContact OG-N 3.37Å; S61-T64 PolarHBondContact OG-OG1 3.03Å |
| 65 | S | 88.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -77.4 | 153.7 | 169.8 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | S26 H27 Y56 K57 G59 S61 | S26-S65 VanDerWaalsContact CA-O 3.23Å; S26-S65 WeakPolarHBondContact CA-O 3.28Å; S26-S65 VanDerWaalsContact CB-O 3.3Å; S26-S65 WeakPolarHBondContact CB-O 3.49Å; S26-S65 PolarHBondContact OG-O 3.26Å; H27-S65 VanDerWaalsContact O-CB 3.27Å; H27-S65 WeakPolarHBondContact O-CB 3.46Å; Y56-S65 WeakPolarHBondContact OH-CB 3.34Å; Y56-S65 PolarHBondContact OH-OG 2.88Å; K57-S65 WeakPolarHBondContact O-CA 3.48Å; G59-S65 PolarHBondContact N-OG 2.83Å; S61-S65 PolarHBondContact O-N 3.3Å; S61-S65 PolarHBondContact O-OG 3.18Å | ||
| 66 | D | 91.8 | Very high | 85 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.6 | 177.5 | -180 | 47.8 | 0 | 0 | 0 | 110.3 | Y56 K57 Q68 | Y56-D66 CarbonylContact C-O 3.43Å; Y56-D66 WeakPolarHBondContact CA-O 3.31Å; K57-D66 HydrophobicContact CB-CB 3.92Å; K57-D66 PolarHBondContact N-O 3.43Å; K57-D66 PolarHBondContact O-N 2.75Å; D66-Q68 WeakPolarHBondContact OD2-CG 3.41Å; D66-Q68 PolarHBondContact OD2-NE2 3.41Å |
| 67 | C | 94.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.2 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | S24 G25 C32 N55 Y56 F69 | S24-C67 CarbonylContact C-O 3.51Å; S24-C67 WeakPolarHBondContact CA-O 3.38Å; S24-C67 WeakPolarHBondContact CB-O 2.82Å; G25-C67 PolarHBondContact N-O 2.87Å; G25-C67 PolarHBondContact O-N 3.16Å; C32-C67 HydrophobicContact CB-CB 3.89Å; C32-C67 WeakPolarHBondContact CB-SG 3.48Å; C32-C67 WeakPolarHBondContact SG-CB 3.34Å; C32-C67 CovalentContact SG-SG 1.99Å; C32-C67 PolarHBondContact SG-SG 2.89Å; N55-C67 CarbonylContact O-C 3.59Å; N55-C67 WeakPolarHBondContact O-CA 2.85Å; Y56-C67 WeakPolarHBondContact CD2-SG 3.3Å; C67-F69 HydrophobicContact CB-CD2 4.4Å; C67-F69 HydrophobicContact CB-CE2 3.62Å; C67-F69 HydrophobicContact CB-CZ 3.73Å |
| 68 | Q | 95.9 | Very high | 82.7 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 104.9 | 179.9 | -53.7 | 174.8 | -8.9 | 0 | 0 | 107.7 | P21 F54 N55 D66 F70 | P21-Q68 HydrophobicContact CB-CB 3.89Å; P21-Q68 HydrophobicContact CG-CB 4.15Å; F54-Q68 CarbonylContact C-O 3.54Å; F54-Q68 WeakPolarHBondContact CA-O 3.45Å; F54-Q68 VanDerWaalsContact CB-O 3.26Å; F54-Q68 WeakPolarHBondContact CB-O 3.3Å; N55-Q68 HydrophobicContact CB-CB 4.09Å; N55-Q68 PolarHBondContact N-O 3.13Å; N55-Q68 PolarHBondContact ND2-OE1 3.21Å; N55-Q68 PolarHBondContact O-N 3.46Å; D66-Q68 WeakPolarHBondContact OD2-CG 3.41Å; D66-Q68 PolarHBondContact OD2-NE2 3.41Å; Q68-F70 HydrophobicContact CB-CZ 4.28Å; Q68-F70 WeakPolarHBondContact O-CE2 3.17Å |
| 69 | F | 96 | Very high | 82 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 142.5 | -171.1 | -59.8 | -90.3 | 0 | 0 | 0 | 112.2 | P21 A22 A23 C32 L35 C36 P42 M49 F54 C67 | P21-F69 CarbonylContact C-O 3.53Å; P21-F69 WeakPolarHBondContact CA-O 3.38Å; P21-F69 WeakPolarHBondContact CB-O 3.3Å; A22-F69 PolarHBondContact N-O 3.22Å; A23-F69 HydrophobicContact CB-CB 4.46Å; A23-F69 HydrophobicContact CB-CD2 4.35Å; A23-F69 WeakPolarHBondContact O-CD2 3.23Å; A23-F69 PolarHBondContact O-N 3.17Å; C32-F69 HydrophobicContact CB-CE1 4.14Å; C32-F69 HydrophobicContact CB-CZ 3.91Å; C32-F69 WeakPolarHBondContact O-CE1 3.48Å; L35-F69 HydrophobicContact CB-CE1 4.21Å; L35-F69 HydrophobicContact CB-CZ 4.16Å; L35-F69 HydrophobicContact CD1-CZ 4.12Å; C36-F69 HydrophobicContact CB-CD1 4.2Å; C36-F69 HydrophobicContact CB-CE1 4.11Å; P42-F69 HydrophobicContact CB-CE2 4.35Å; P42-F69 HydrophobicContact CG-CD2 3.64Å; P42-F69 HydrophobicContact CG-CE2 3.4Å; P42-F69 HydrophobicContact CG-CZ 4.11Å; M49-F69 HydrophobicContact CE-CB 3.42Å; M49-F69 VanDerWaalsContact CE-CB 3.42Å; M49-F69 HydrophobicContact CE-CD1 3.87Å; M49-F69 HydrophobicContact CE-CD2 4.43Å; M49-F69 HydrophobicContact CE-CG 3.66Å; M49-F69 HydrophobicContact SD-CB 3.89Å; F54-F69 HydrophobicContact CB-CD1 3.73Å; F54-F69 HydrophobicContact CB-CE1 4.18Å; F54-F69 HydrophobicContact CB-CG 4.19Å; F54-F69 HydrophobicContact CD1-CD1 4.31Å; F54-F69 HydrophobicContact CD1-CE1 4.25Å; F54-F69 HydrophobicContact CG-CD1 4.22Å; F54-F69 HydrophobicContact CG-CE1 4.22Å; C67-F69 HydrophobicContact CB-CD2 4.4Å; C67-F69 HydrophobicContact CB-CE2 3.62Å; C67-F69 HydrophobicContact CB-CZ 3.73Å |
| 70 | F | 94.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.4 | -179.2 | -54.2 | -72 | 0 | 0 | 0 | 111.2 | I17 V19 P21 A52 G53 N55 Q68 M75 F90 | I17-F70 HydrophobicContact CB-CE2 4Å; I17-F70 HydrophobicContact CB-CZ 4.1Å; I17-F70 HydrophobicContact CG2-CZ 4.47Å; V19-F70 HydrophobicContact CG2-CD1 3.43Å; V19-F70 VanDerWaalsContact CG2-CD1 3.43Å; V19-F70 HydrophobicContact CG2-CE1 3.3Å; V19-F70 HydrophobicContact CG2-CG 4.42Å; V19-F70 HydrophobicContact CG2-CZ 4.2Å; V19-F70 WeakPolarHBondContact O-CE1 3.44Å; P21-F70 HydrophobicContact CB-CD1 4.3Å; P21-F70 HydrophobicContact CB-CE1 3.81Å; P21-F70 HydrophobicContact CB-CZ 4.35Å; A52-F70 PolarHBondContact N-O 2.8Å; G53-F70 PolarHBondContact N-O 2.99Å; G53-F70 PolarHBondContact O-N 3.02Å; N55-F70 HydrophobicContact CB-CE2 4.33Å; N55-F70 VanDerWaalsContact ND2-CZ 3.34Å; N55-F70 WeakPolarHBondContact ND2-CZ 3.25Å; Q68-F70 HydrophobicContact CB-CZ 4.28Å; Q68-F70 WeakPolarHBondContact O-CE2 3.17Å; F70-M75 HydrophobicContact CB-CG 3.85Å; F70-M75 HydrophobicContact CB-SD 3.73Å; F70-M75 HydrophobicContact CD2-SD 4.33Å; F70-M75 HydrophobicContact CG-SD 4.09Å; F70-F90 AromaticContact CD2-CE2 3.96Å; F70-F90 HydrophobicContact CD2-CE2 3.96Å; F70-F90 HydrophobicContact CE2-CD2 4.47Å; F70-F90 HydrophobicContact CE2-CE2 4.32Å |
| 71 | E | 93 | Very high | 81.7 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 161.1 | 174 | -64.3 | -166.4 | 135.8 | 0 | 0 | 112.3 | A22 M49 A50 G73 Q74 M75 | A22-E71 HydrophobicContact CB-CG 3.9Å; M49-E71 HydrophobicContact CG-CG 3.82Å; M49-E71 WeakPolarHBondContact CG-OE1 3.29Å; A50-E71 PolarHBondContact N-OE1 2.86Å; A50-E71 WeakPolarHBondContact O-CA 3.48Å; E71-G73 PolarHBondContact O-N 3.39Å; E71-G73 VanDerWaalsContact O-N 3.08Å; E71-Q74 PolarHBondContact O-N 3.27Å; E71-M75 WeakPolarHBondContact O-CG 3.44Å; E71-M75 PolarHBondContact O-N 3.01Å |
| 72 | H | 87.1 | Confident | 82.2 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34.7 | 178.2 | -81.7 | -77.9 | 0 | 0 | 0 | 113.7 | A50 A52 Q74 M75 | A50-H72 PolarHBondContact O-N 3.37Å; A52-H72 HydrophobicContact CB-CB 4.31Å; H72-Q74 VanDerWaalsContact C-N 3.35Å; H72-Q74 PolarHBondContact O-N 2.92Å; H72-M75 PolarHBondContact O-N 3.06Å |
| 73 | G | 85.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E71 M75 | E71-G73 PolarHBondContact O-N 3.39Å; E71-G73 VanDerWaalsContact O-N 3.08Å; G73-M75 VanDerWaalsContact C-N 3.29Å |
| 74 | Q | 84 | Confident | 82.6 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -24.8 | 179.8 | -56.1 | 179.8 | -67.5 | 0 | 0 | 111.7 | T20 E71 H72 | T20-Q74 PolarHBondContact O-NE2 3.35Å; E71-Q74 PolarHBondContact O-N 3.27Å; H72-Q74 VanDerWaalsContact C-N 3.35Å; H72-Q74 PolarHBondContact O-N 2.92Å |
| 75 | M | 80.6 | Confident | 82.4 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 1.9 | -170.9 | -66.9 | -61.3 | -58.8 | 0 | 0 | 114.9 | A52 F70 E71 H72 G73 N77 F78 F90 | A52-M75 HydrophobicContact CB-CB 4.23Å; A52-M75 HydrophobicContact CB-CG 3.87Å; F70-M75 HydrophobicContact CB-CG 3.85Å; F70-M75 HydrophobicContact CB-SD 3.73Å; F70-M75 HydrophobicContact CD2-SD 4.33Å; F70-M75 HydrophobicContact CG-SD 4.09Å; E71-M75 WeakPolarHBondContact O-CG 3.44Å; E71-M75 PolarHBondContact O-N 3.01Å; H72-M75 PolarHBondContact O-N 3.06Å; G73-M75 VanDerWaalsContact C-N 3.29Å; M75-N77 VanDerWaalsContact C-N 3.34Å; M75-N77 PolarHBondContact O-N 3.01Å; M75-F78 HydrophobicContact CE-CB 3.54Å; M75-F78 HydrophobicContact CE-CD1 3.67Å; M75-F78 HydrophobicContact CE-CD2 3.68Å; M75-F78 HydrophobicContact CE-CE1 4.28Å; M75-F78 HydrophobicContact CE-CE2 4.28Å; M75-F78 HydrophobicContact CE-CG 3.32Å; M75-F78 VanDerWaalsContact O-CD1 3.3Å; M75-F78 WeakPolarHBondContact O-CD1 3.32Å; M75-F78 HydrophobicContact SD-CB 3.94Å; M75-F78 HydrophobicContact SD-CG 4.37Å; M75-F90 HydrophobicContact CE-CE1 3.73Å; M75-F90 HydrophobicContact CE-CE2 4.06Å; M75-F90 HydrophobicContact CE-CZ 3.22Å; M75-F90 HydrophobicContact SD-CE2 4.49Å; M75-F90 HydrophobicContact SD-CZ 4.16Å |
| 76 | R | 72.7 | Confident | 81.7 | Confident | 206 Ų | 206 | 63 Ų | 63 | 78% | 0.777 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -34.1 | -175.5 | -79 | -173.5 | -105.1 | -162.7 | -5.6 | 114.2 | ||
| 77 | N | 66.6 | Low | 81.1 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 36.1 | 178.8 | -66 | -23 | 0 | 0 | 0 | 110.5 | M75 D79 W80 | M75-N77 VanDerWaalsContact C-N 3.34Å; M75-N77 PolarHBondContact O-N 3.01Å; N77-D79 PolarHBondContact O-N 3.18Å; N77-D79 VanDerWaalsContact O-N 3.17Å; N77-W80 PolarHBondContact O-NE1 2.94Å |
| 78 | F | 71.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -66.2 | -21.6 | -169.6 | 80.9 | -80.3 | 0 | 0 | 0 | 114.1 | W12 I17 M75 W80 Y81 A82 F90 R92 | W12-F78 HydrophobicContact CE3-CE2 4.4Å; W12-F78 AromaticContact CH2-CE2 3.69Å; W12-F78 HydrophobicContact CH2-CE2 3.69Å; W12-F78 AromaticContact CH2-CZ 3.57Å; W12-F78 HydrophobicContact CH2-CZ 3.57Å; W12-F78 HydrophobicContact CZ2-CE2 4.07Å; W12-F78 AromaticContact CZ2-CZ 3.7Å; W12-F78 HydrophobicContact CZ2-CZ 3.7Å; W12-F78 AromaticContact CZ3-CE2 3.87Å; W12-F78 HydrophobicContact CZ3-CE2 3.87Å; W12-F78 HydrophobicContact CZ3-CZ 4.24Å; I17-F78 HydrophobicContact CD1-CD2 3.65Å; I17-F78 HydrophobicContact CD1-CE2 4.2Å; I17-F78 HydrophobicContact CG1-CD2 4.39Å; I17-F78 HydrophobicContact CG2-CB 4.49Å; M75-F78 HydrophobicContact CE-CB 3.54Å; M75-F78 HydrophobicContact CE-CD1 3.67Å; M75-F78 HydrophobicContact CE-CD2 3.68Å; M75-F78 HydrophobicContact CE-CE1 4.28Å; M75-F78 HydrophobicContact CE-CE2 4.28Å; M75-F78 HydrophobicContact CE-CG 3.32Å; M75-F78 VanDerWaalsContact O-CD1 3.3Å; M75-F78 WeakPolarHBondContact O-CD1 3.32Å; M75-F78 HydrophobicContact SD-CB 3.94Å; M75-F78 HydrophobicContact SD-CG 4.37Å; F78-W80 PolarHBondContact O-N 2.99Å; F78-Y81 PolarHBondContact O-N 3.39Å; F78-A82 PolarHBondContact O-N 2.76Å; F78-F90 HydrophobicContact CD2-CE1 4.49Å; F78-F90 HydrophobicContact CE2-CE1 4.17Å; F78-R92 VanDerWaalsContact CE1-NH1 3.31Å |
| 79 | D | 65 | Low | 80.3 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -53.5 | -30.7 | -176.8 | -67.6 | -15.3 | 0 | 0 | 0 | 112.5 | N77 | N77-D79 PolarHBondContact O-N 3.18Å; N77-D79 VanDerWaalsContact O-N 3.17Å |
| 80 | W | 61.2 | Low | 80.1 | Confident | 176 Ų | 176 | 66.7 Ų | 66.7 | 67% | 0.667 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -79.1 | -16.4 | 178 | 74.1 | -102.3 | 0 | 0 | 0 | 114.8 | N77 F78 | N77-W80 PolarHBondContact O-NE1 2.94Å; F78-W80 PolarHBondContact O-N 2.99Å |
| 81 | Y | 78.2 | Confident | 80.2 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 29% | 0.286 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -103.1 | 0.7 | -179.9 | -56.8 | -87.3 | 0 | 0 | 0 | 113.3 | S18 V19 F78 E83 | S18-Y81 PolarHBondContact N-O 2.79Å; V19-Y81 HydrophobicContact CG1-CD1 3.38Å; V19-Y81 HydrophobicContact CG1-CD2 3.47Å; V19-Y81 VanDerWaalsContact CG1-CD2 3.47Å; V19-Y81 HydrophobicContact CG1-CE1 3.52Å; V19-Y81 HydrophobicContact CG1-CE2 3.6Å; V19-Y81 HydrophobicContact CG1-CG 3.29Å; F78-Y81 PolarHBondContact O-N 3.39Å; Y81-E83 PolarHBondContact O-N 2.01Å |
| 82 | A | 83.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V15 I17 F78 | V15-A82 HydrophobicContact CG1-CB 3.96Å; I17-A82 HydrophobicContact CD1-CB 3.89Å; F78-A82 PolarHBondContact O-N 2.76Å |
| 83 | E | 84.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.2 | 174.9 | 73.1 | -170.2 | -175 | 0 | 0 | 110.4 | V15 R16 S18 Y81 N85 | V15-E83 WeakPolarHBondContact CA-O 3.38Å; R16-E83 HydrophobicContact CB-CG 3.87Å; R16-E83 WeakPolarHBondContact CD-OE1 3.33Å; R16-E83 IonicContact CZ-OE1 3.43Å; R16-E83 PolarHBondContact N-O 3.21Å; R16-E83 IonicContact NH1-OE1 2.61Å; R16-E83 PolarHBondContact NH1-OE1 3.49Å; R16-E83 WeakPolarHBondContact O-CG 3.21Å; R16-E83 PolarHBondContact O-N 3.43Å; S18-E83 PolarHBondContact OG-OE1 3.36Å; S18-E83 PolarHBondContact OG-OE2 3.46Å; Y81-E83 PolarHBondContact O-N 2.01Å; E83-N85 HydrophobicContact CG-CB 4.47Å; E83-N85 PolarHBondContact O-N 2.98Å |
| 84 | A | 79.1 | Confident | 81 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 80% | 0.802 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R14 | R14-A84 CarbonylContact O-C 3.59Å; R14-A84 WeakPolarHBondContact O-CA 3.43Å |
| 85 | N | 77.4 | Confident | 81.5 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 110.1 | 179.8 | -168.5 | -41.3 | 0 | 0 | 0 | 110.7 | R14 R16 E83 Q87 Y88 | R14-N85 CarbonylContact C-O 3.54Å; R14-N85 VanDerWaalsContact C-O 3.29Å; R14-N85 VanDerWaalsContact CA-O 3.27Å; R14-N85 WeakPolarHBondContact CA-O 3.48Å; R14-N85 PolarHBondContact O-N 2.94Å; R16-N85 HydrophobicContact CB-CB 3.86Å; E83-N85 HydrophobicContact CG-CB 4.47Å; E83-N85 PolarHBondContact O-N 2.98Å; N85-Q87 PolarHBondContact O-N 2.79Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.05Å; N85-Q87 PolarHBondContact OD1-N 2.82Å; N85-Y88 HydrophobicContact CB-CD2 4.49Å; N85-Y88 PolarHBondContact O-N 2.77Å; N85-Y88 VanDerWaalsContact O-N 3.17Å; N85-Y88 VanDerWaalsContact O-O 3.12Å; N85-Y88 WeakPolarHBondContact OD1-CD2 3.42Å |
| 86 | D | 74.1 | Confident | 82.2 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -16.9 | -174.6 | -78.8 | -11.7 | 0 | 0 | 0 | 114.3 | R14 Y88 | R14-D86 WeakPolarHBondContact CB-OD1 3.38Å; R14-D86 WeakPolarHBondContact CD-OD1 3.32Å; R14-D86 VanDerWaalsContact CG-OD1 3.23Å; R14-D86 WeakPolarHBondContact CG-OD1 3.35Å; R14-D86 IonicContact CZ-OD1 2.9Å; R14-D86 IonicContact NE-OD1 3.4Å; R14-D86 IonicContact NH1-OD1 3.25Å; R14-D86 PolarHBondContact NH1-OD1 3.05Å; R14-D86 IonicContact NH1-OD2 2.85Å; R14-D86 PolarHBondContact NH1-OD2 2.03Å; D86-Y88 VanDerWaalsContact C-N 3.32Å |
| 87 | Q | 79.4 | Confident | 83.2 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -15.6 | 177.1 | -60.6 | -174.1 | -20.7 | 0 | 0 | 113 | Y58 N85 | Y58-Q87 PolarHBondContact N-O 3.24Å; N85-Q87 PolarHBondContact O-N 2.79Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.05Å; N85-Q87 PolarHBondContact OD1-N 2.82Å |
| 88 | Y | 85.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 155.8 | -173.3 | -71.7 | -99.4 | 0 | 0 | 0 | 112.1 | R14 R16 N55 Y56 K57 N85 D86 | R14-Y88 VanDerWaalsContact CA-O 3.26Å; R14-Y88 WeakPolarHBondContact CA-O 3.47Å; R14-Y88 PolarHBondContact N-O 3.44Å; R16-Y88 HydrophobicContact CB-CG 4.21Å; R16-Y88 HydrophobicContact CG-CD1 4.32Å; R16-Y88 HydrophobicContact CG-CD2 4.48Å; R16-Y88 HydrophobicContact CG-CG 4.17Å; N55-Y88 HydrophobicContact CB-CD1 3.96Å; N55-Y88 HydrophobicContact CB-CE1 4.48Å; Y56-Y88 CarbonylContact O-C 3.5Å; Y56-Y88 VanDerWaalsContact O-CA 3.24Å; Y56-Y88 WeakPolarHBondContact O-CA 3.18Å; K57-Y88 HydrophobicContact CB-CD1 3.82Å; K57-Y88 HydrophobicContact CB-CE1 3.46Å; K57-Y88 VanDerWaalsContact CB-CE1 3.46Å; K57-Y88 HydrophobicContact CB-CE2 4.38Å; K57-Y88 HydrophobicContact CB-CG 4.46Å; K57-Y88 HydrophobicContact CD-CE1 4.39Å; K57-Y88 HydrophobicContact CD-CE2 4.18Å; K57-Y88 HydrophobicContact CG-CD1 4.36Å; K57-Y88 HydrophobicContact CG-CD2 4.37Å; K57-Y88 HydrophobicContact CG-CE1 3.96Å; K57-Y88 HydrophobicContact CG-CE2 3.96Å; N85-Y88 HydrophobicContact CB-CD2 4.49Å; N85-Y88 PolarHBondContact O-N 2.77Å; N85-Y88 VanDerWaalsContact O-N 3.17Å; N85-Y88 VanDerWaalsContact O-O 3.12Å; N85-Y88 WeakPolarHBondContact OD1-CD2 3.42Å; D86-Y88 VanDerWaalsContact C-N 3.32Å |
| 89 | A | 87.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109 | R11 W12 V15 Y56 Y58 F91 | R11-A89 HydrophobicContact CG-CB 4.11Å; W12-A89 WeakPolarHBondContact O-CA 3.35Å; V15-A89 CarbonylContact O-C 3.47Å; Y56-A89 PolarHBondContact N-O 3.34Å; Y56-A89 PolarHBondContact O-N 3.22Å; Y58-A89 HydrophobicContact CE2-CB 3.77Å; Y58-A89 WeakPolarHBondContact OH-CB 3.47Å; A89-F91 HydrophobicContact CB-CD2 4.44Å; A89-F91 HydrophobicContact CB-CE2 3.73Å; A89-F91 HydrophobicContact CB-CZ 4.25Å |
| 90 | F | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.9 | 174.6 | 174 | -113.5 | 0 | 0 | 0 | 109.5 | W12 V15 I17 F54 N55 F70 M75 F78 R92 | W12-F90 HydrophobicContact CB-CB 4.15Å; W12-F90 HydrophobicContact CB-CD1 4.3Å; W12-F90 HydrophobicContact CD2-CD1 4.38Å; W12-F90 HydrophobicContact CG-CD1 4.11Å; W12-F90 PolarHBondContact N-O 2.84Å; W12-F90 PolarHBondContact O-N 2.83Å; V15-F90 HydrophobicContact CB-CB 4.42Å; V15-F90 HydrophobicContact CG1-CB 4.29Å; V15-F90 PolarHBondContact O-N 3.08Å; I17-F90 HydrophobicContact CB-CD2 4.49Å; I17-F90 HydrophobicContact CD1-CB 4.46Å; I17-F90 HydrophobicContact CD1-CD1 4Å; I17-F90 HydrophobicContact CD1-CD2 4.41Å; I17-F90 HydrophobicContact CD1-CE1 4.41Å; I17-F90 HydrophobicContact CD1-CG 4.02Å; I17-F90 HydrophobicContact CG1-CB 4.2Å; I17-F90 HydrophobicContact CG1-CD1 3.9Å; I17-F90 HydrophobicContact CG1-CD2 3.46Å; I17-F90 VanDerWaalsContact CG1-CD2 3.46Å; I17-F90 HydrophobicContact CG1-CE1 4.16Å; I17-F90 HydrophobicContact CG1-CE2 3.78Å; I17-F90 HydrophobicContact CG1-CG 3.56Å; I17-F90 HydrophobicContact CG1-CZ 4.15Å; F54-F90 VanDerWaalsContact O-CD2 3.28Å; F54-F90 WeakPolarHBondContact O-CD2 3.47Å; N55-F90 WeakPolarHBondContact OD1-CD2 3.33Å; F70-F90 AromaticContact CD2-CE2 3.96Å; F70-F90 HydrophobicContact CD2-CE2 3.96Å; F70-F90 HydrophobicContact CE2-CD2 4.47Å; F70-F90 HydrophobicContact CE2-CE2 4.32Å; M75-F90 HydrophobicContact CE-CE1 3.73Å; M75-F90 HydrophobicContact CE-CE2 4.06Å; M75-F90 HydrophobicContact CE-CZ 3.22Å; M75-F90 HydrophobicContact SD-CE2 4.49Å; M75-F90 HydrophobicContact SD-CZ 4.16Å; F78-F90 HydrophobicContact CD2-CE1 4.49Å; F78-F90 HydrophobicContact CE2-CE1 4.17Å; F90-R92 HydrophobicContact CE1-CB 3.72Å; F90-R92 HydrophobicContact CE1-CG 4.28Å; F90-R92 HydrophobicContact CZ-CB 4.07Å; F90-R92 HydrophobicContact CZ-CG 4.45Å |
| 91 | F | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.7 | 178.5 | -69.3 | -95.5 | 0 | 0 | 0 | 109 | F9 R11 L29 M33 G53 F54 Y56 A89 H106 | F9-F91 HydrophobicContact CD1-CB 4.26Å; R11-F91 HydrophobicContact CB-CD1 3.96Å; R11-F91 HydrophobicContact CB-CE1 3.69Å; R11-F91 HydrophobicContact CB-CZ 4.31Å; R11-F91 HydrophobicContact CG-CD1 4.2Å; R11-F91 HydrophobicContact CG-CE1 3.66Å; R11-F91 HydrophobicContact CG-CE2 4.36Å; R11-F91 HydrophobicContact CG-CZ 3.74Å; L29-F91 HydrophobicContact CD1-CD2 4.21Å; L29-F91 HydrophobicContact CD1-CE1 4.32Å; L29-F91 HydrophobicContact CD1-CE2 3.67Å; L29-F91 HydrophobicContact CD1-CZ 3.74Å; L29-F91 HydrophobicContact CD2-CZ 4.04Å; M33-F91 HydrophobicContact CE-CD1 3.44Å; M33-F91 VanDerWaalsContact CE-CD1 3.44Å; M33-F91 HydrophobicContact CE-CE1 3.43Å; M33-F91 VanDerWaalsContact CE-CE1 3.43Å; M33-F91 HydrophobicContact CE-CG 4.06Å; M33-F91 HydrophobicContact CE-CZ 4.06Å; G53-F91 CarbonylContact C-O 3.46Å; G53-F91 WeakPolarHBondContact CA-O 3.43Å; F54-F91 HydrophobicContact CD1-CB 4.29Å; F54-F91 HydrophobicContact CD2-CB 4.38Å; F54-F91 HydrophobicContact CD2-CD2 4.31Å; F54-F91 HydrophobicContact CE1-CB 3.8Å; F54-F91 HydrophobicContact CE2-CB 3.89Å; F54-F91 AromaticContact CE2-CD2 3.64Å; F54-F91 HydrophobicContact CE2-CD2 3.64Å; F54-F91 HydrophobicContact CE2-CE2 4.44Å; F54-F91 AromaticContact CE2-CG 3.93Å; F54-F91 HydrophobicContact CE2-CG 3.93Å; F54-F91 HydrophobicContact CZ-CB 3.55Å; F54-F91 HydrophobicContact CZ-CD2 4.01Å; F54-F91 AromaticContact CZ-CG 3.8Å; F54-F91 HydrophobicContact CZ-CG 3.8Å; F54-F91 PolarHBondContact N-O 2.97Å; F54-F91 PolarHBondContact O-N 3.36Å; Y56-F91 HydrophobicContact CG-CE2 4.48Å; A89-F91 HydrophobicContact CB-CD2 4.44Å; A89-F91 HydrophobicContact CB-CE2 3.73Å; A89-F91 HydrophobicContact CB-CZ 4.25Å; F91-H106 HydrophobicContact CD1-CB 4.13Å; F91-H106 HydrophobicContact CE1-CB 3.97Å |
| 92 | R | 94 | Very high | 88.3 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 21% | 0.211 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.2 | 177.6 | -169.7 | 165.4 | 173.7 | -169.6 | 4.3 | 110.4 | F9 V10 F78 F90 Y94 | F9-R92 WeakPolarHBondContact CA-O 3.38Å; V10-R92 PolarHBondContact N-O 2.84Å; V10-R92 PolarHBondContact O-N 2.79Å; F78-R92 VanDerWaalsContact CE1-NH1 3.31Å; F90-R92 HydrophobicContact CE1-CB 3.72Å; F90-R92 HydrophobicContact CE1-CG 4.28Å; F90-R92 HydrophobicContact CZ-CB 4.07Å; F90-R92 HydrophobicContact CZ-CG 4.45Å; R92-Y94 HydrophobicContact CB-CD2 4.46Å; R92-Y94 HydrophobicContact CB-CE2 3.82Å; R92-Y94 VanDerWaalsContact CD-OH 3.27Å; R92-Y94 WeakPolarHBondContact CD-OH 3.39Å; R92-Y94 HydrophobicContact CG-CD2 4.18Å; R92-Y94 HydrophobicContact CG-CE2 3.55Å; R92-Y94 VanDerWaalsContact CZ-OH 3.3Å; R92-Y94 PolarHBondContact NE-OH 2.91Å; R92-Y94 PolarHBondContact NH1-OH 2.91Å |
| 93 | K | 94.9 | Very high | 88.3 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.7 | 176.6 | -173 | -175.1 | 178.1 | -178.4 | 0 | 110.1 | A7 F9 C36 S37 A52 | A7-K93 HydrophobicContact CB-CG 4.43Å; F9-K93 HydrophobicContact CD1-CB 4.1Å; F9-K93 HydrophobicContact CE1-CB 3.7Å; F9-K93 HydrophobicContact CE1-CD 4.43Å; F9-K93 HydrophobicContact CE1-CG 4.01Å; F9-K93 HydrophobicContact CZ-CB 4.33Å; F9-K93 HydrophobicContact CZ-CD 4.32Å; F9-K93 HydrophobicContact CZ-CG 4.14Å; C36-K93 PolarHBondContact O-NZ 3.39Å; S37-K93 VanDerWaalsContact CA-NZ 3.33Å; S37-K93 PolarHBondContact O-NZ 2.92Å; A52-K93 WeakPolarHBondContact O-CB 3.07Å; A52-K93 PolarHBondContact O-N 3.21Å |
| 94 | Y | 93.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.9 | 172.4 | -67.2 | -90 | 0 | 0 | 0 | 110.4 | A7 V8 V10 R92 L130 E131 | A7-Y94 WeakPolarHBondContact CA-O 3.01Å; V8-Y94 PolarHBondContact N-O 2.98Å; V8-Y94 PolarHBondContact O-N 3.29Å; V10-Y94 HydrophobicContact CB-CD2 4.21Å; V10-Y94 HydrophobicContact CB-CE2 3.84Å; V10-Y94 HydrophobicContact CG2-CD2 3.5Å; V10-Y94 HydrophobicContact CG2-CE2 3.44Å; V10-Y94 VanDerWaalsContact CG2-CE2 3.44Å; R92-Y94 HydrophobicContact CB-CD2 4.46Å; R92-Y94 HydrophobicContact CB-CE2 3.82Å; R92-Y94 VanDerWaalsContact CD-OH 3.27Å; R92-Y94 WeakPolarHBondContact CD-OH 3.39Å; R92-Y94 HydrophobicContact CG-CD2 4.18Å; R92-Y94 HydrophobicContact CG-CE2 3.55Å; R92-Y94 VanDerWaalsContact CZ-OH 3.3Å; R92-Y94 PolarHBondContact NE-OH 2.91Å; R92-Y94 PolarHBondContact NH1-OH 2.91Å; Y94-L130 HydrophobicContact CD1-CD2 4.46Å; Y94-L130 HydrophobicContact CE1-CD2 3.62Å; Y94-E131 HydrophobicContact CD1-CG 4.06Å |
| 95 | C | 93.3 | Very high | 87.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 91.6 | 172.8 | 163.5 | 0 | 0 | 0 | 0 | 107.2 | C5 | C5-C95 HydrophobicContact CB-CB 4.1Å; C5-C95 WeakPolarHBondContact CB-SG 3.49Å; C5-C95 VanDerWaalsContact SG-CA 3.59Å; C5-C95 WeakPolarHBondContact SG-CB 3Å; C5-C95 CovalentContact SG-SG 2.02Å; C5-C95 PolarHBondContact SG-SG 2.8Å |
| 96 | V | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.3 | -171.7 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | C5 T6 V8 T98 E131 L134 G135 L138 | C5-V96 WeakPolarHBondContact CA-O 3.21Å; C5-V96 WeakPolarHBondContact CB-O 3.39Å; T6-V96 PolarHBondContact N-O 3.46Å; T6-V96 PolarHBondContact O-N 2.77Å; V8-V96 HydrophobicContact CB-CB 4.14Å; V8-V96 HydrophobicContact CB-CG2 3.63Å; V8-V96 HydrophobicContact CG1-CG2 4.13Å; V8-V96 HydrophobicContact CG2-CB 3.7Å; V8-V96 HydrophobicContact CG2-CG1 4.34Å; V8-V96 HydrophobicContact CG2-CG2 3.77Å; V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 HydrophobicContact CB-CG2 4.07Å; V96-T98 HydrophobicContact CG1-CG2 3.51Å; V96-T98 PolarHBondContact O-N 2.84Å; V96-E131 WeakPolarHBondContact CG1-O 3.3Å; V96-L134 HydrophobicContact CG1-CB 4.36Å; V96-L134 HydrophobicContact CG2-CB 4.23Å; V96-L134 HydrophobicContact CG2-CD1 4.38Å; V96-G135 VanDerWaalsContact CG1-CA 3.4Å; V96-L138 HydrophobicContact CG1-CD1 4.49Å |
| 97 | P | 93.6 | Very high | 89.1 | Confident | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.5 | 74.7 | 178.3 | 33.4 | -35.5 | 0 | 0 | 0 | 110.7 | ||
| 98 | T | 93.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -147.3 | 152.8 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | T6 V8 V96 N100 A101 L138 D139 | T6-T98 WeakPolarHBondContact CB-O 3.42Å; T6-T98 PolarHBondContact OG1-O 3.07Å; V8-T98 HydrophobicContact CG2-CG2 4.44Å; V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 HydrophobicContact CB-CG2 4.07Å; V96-T98 HydrophobicContact CG1-CG2 3.51Å; V96-T98 PolarHBondContact O-N 2.84Å; T98-N100 PolarHBondContact OG1-N 3.46Å; T98-A101 HydrophobicContact CG2-CB 4.2Å; T98-L138 HydrophobicContact CG2-CD1 3.75Å; T98-D139 VanDerWaalsContact OG1-CG 3.32Å; T98-D139 PolarHBondContact OG1-OD1 2.04Å; T98-D139 PolarHBondContact OG1-OD2 3.37Å | ||
| 99 | L | 89.6 | Confident | 89.9 | Confident | 159 Ų | 159 | 41.2 Ų | 41.2 | 83% | 0.832 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -109.3 | -5.1 | 168.9 | -60.9 | 176.6 | 0 | 0 | 0 | 112.5 | ||
| 100 | N | 90.7 | Very high | 90 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | trans | -102.1 | 14.3 | -172.9 | -61.1 | -52.2 | 0 | 0 | 0 | 113.5 | T98 C102 D139 | T98-N100 PolarHBondContact OG1-N 3.46Å; N100-C102 PolarHBondContact O-N 3.42Å; N100-D139 WeakPolarHBondContact CB-OD1 3.29Å; N100-D139 PolarHBondContact ND2-OD1 2.85Å | ||
| 101 | A | 90 | Very high | 89.6 | Confident | 25 Ų | 25 | 43 Ų | 43 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | trans | -61 | 121.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T6 V8 T98 Q107 L138 | T6-A101 HydrophobicContact CG2-CB 3.88Å; V8-A101 HydrophobicContact CG2-CB 4.03Å; T98-A101 HydrophobicContact CG2-CB 4.2Å; A101-Q107 HydrophobicContact CB-CG 4.22Å; A101-L138 HydrophobicContact CB-CD1 4.24Å | ||
| 102 | C | 87.2 | Confident | 88.7 | Confident | 37 Ų | 37 | 47 Ų | 47 | 25% | 0.25 | 25% | 0.254 | C | S | . | . | trans | -68.2 | 156.8 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | N100 S104 Q107 C188 | N100-C102 PolarHBondContact O-N 3.42Å; C102-S104 PolarHBondContact O-N 3.3Å; C102-Q107 PolarHBondContact O-NE2 3.08Å; C102-C188 HydrophobicContact CB-CB 3.5Å; C102-C188 WeakPolarHBondContact CB-SG 3.41Å; C102-C188 PolarHBondContact N-SG 3Å; C102-C188 WeakPolarHBondContact SG-CA 3.43Å; C102-C188 WeakPolarHBondContact SG-CB 3.23Å; C102-C188 CovalentContact SG-SG 2.04Å; C102-C188 PolarHBondContact SG-SG 3.39Å | ||
| 103 | K | 81.5 | Confident | 87.8 | Confident | 207 Ų | 207 | 48.1 Ų | 48.1 | 90% | 0.9 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.6 | 52.4 | 173.7 | -62.3 | -179.2 | -179 | 174.5 | 0 | 112.2 | ||
| 104 | S | 74.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -93.5 | 161.9 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 110 | C102 H106 Q107 | C102-S104 PolarHBondContact O-N 3.3Å; S104-H106 VanDerWaalsContact CB-O 3.24Å; S104-H106 WeakPolarHBondContact CB-O 3.39Å; S104-H106 PolarHBondContact O-N 2.79Å; S104-H106 PolarHBondContact OG-N 2.9Å; S104-H106 PolarHBondContact OG-O 2.79Å; S104-Q107 PolarHBondContact O-NE2 2.93Å |
| 105 | T | 79 | Confident | 87.1 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -61.8 | -34.3 | 168.4 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | L29 M33 | L29-T105 HydrophobicContact CD2-CG2 4.07Å; L29-T105 HydrophobicContact CG-CG2 4.37Å; M33-T105 VanDerWaalsContact CE-C 3.49Å; M33-T105 WeakPolarHBondContact CE-O 3.36Å; M33-T105 VanDerWaalsContact SD-C 3.5Å; M33-T105 WeakPolarHBondContact SD-CA 3.33Å; M33-T105 WeakPolarHBondContact SD-CB 3.34Å; M33-T105 HydrophobicContact SD-CG2 3.91Å |
| 106 | H | 87.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | trans | -146.4 | 137.1 | 174 | 56.9 | -62.6 | 0 | 0 | 0 | 109 | F9 R11 F91 S104 D109 N187 | F9-H106 HydrophobicContact CB-CB 4.24Å; F9-H106 WeakPolarHBondContact O-CA 3.42Å; F9-H106 WeakPolarHBondContact O-CB 3.16Å; R11-H106 HydrophobicContact CB-CB 4.13Å; R11-H106 VanDerWaalsContact CB-CD2 3.47Å; R11-H106 WeakPolarHBondContact CB-CD2 3.47Å; R11-H106 PolarHBondContact NE-NE2 2.91Å; F91-H106 HydrophobicContact CD1-CB 4.13Å; F91-H106 HydrophobicContact CE1-CB 3.97Å; S104-H106 VanDerWaalsContact CB-O 3.24Å; S104-H106 WeakPolarHBondContact CB-O 3.39Å; S104-H106 PolarHBondContact O-N 2.79Å; S104-H106 PolarHBondContact OG-N 2.9Å; S104-H106 PolarHBondContact OG-O 2.79Å; H106-D109 IonicContact CD2-OD1 3.51Å; H106-D109 IonicContact NE2-OD1 3.37Å; H106-D109 IonicContact NE2-OD2 3.16Å; H106-N187 PolarHBondContact CD2-ND2 2.91Å; H106-N187 PolarHBondContact NE2-ND2 2.83Å | ||
| 107 | Q | 92 | Very high | 86.6 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -87.7 | -22.4 | -177.9 | -65.2 | 63.6 | 37.1 | 0 | 0 | 111 | V8 F9 A101 C102 S104 N187 C188 | V8-Q107 HydrophobicContact CG1-CB 3.94Å; V8-Q107 HydrophobicContact CG1-CG 4.3Å; F9-Q107 PolarHBondContact O-N 2.87Å; A101-Q107 HydrophobicContact CB-CG 4.22Å; C102-Q107 PolarHBondContact O-NE2 3.08Å; S104-Q107 PolarHBondContact O-NE2 2.93Å; Q107-N187 PolarHBondContact O-N 3.38Å; Q107-C188 VanDerWaalsContact CG-SG 3.59Å |
| 108 | F | 93 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.9 | 177.4 | -65.9 | -90.3 | 0 | 0 | 0 | 113.1 | V8 F9 V10 R11 L134 C137 L138 E185 N186 | V8-F108 HydrophobicContact CG1-CD2 3.99Å; V8-F108 HydrophobicContact CG1-CE2 4.29Å; F9-F108 PolarHBondContact O-N 2.91Å; V10-F108 CarbonylContact C-O 3.51Å; V10-F108 WeakPolarHBondContact CA-O 3.23Å; V10-F108 HydrophobicContact CG1-CB 4.29Å; V10-F108 HydrophobicContact CG2-CB 4.15Å; R11-F108 PolarHBondContact N-O 2.72Å; F108-L134 HydrophobicContact CD1-CD2 4.14Å; F108-L134 HydrophobicContact CD2-CD2 4.07Å; F108-L134 HydrophobicContact CE1-CD2 4.05Å; F108-L134 HydrophobicContact CE2-CB 4.05Å; F108-L134 HydrophobicContact CE2-CD2 3.98Å; F108-L134 HydrophobicContact CE2-CG 4.47Å; F108-L134 HydrophobicContact CG-CD2 4.15Å; F108-L134 HydrophobicContact CZ-CB 4.29Å; F108-L134 HydrophobicContact CZ-CD2 3.98Å; F108-C137 HydrophobicContact CE1-CB 4.33Å; F108-C137 HydrophobicContact CZ-CB 4.19Å; F108-L138 HydrophobicContact CE2-CD1 3.83Å; F108-L138 HydrophobicContact CE2-CD2 3.86Å; F108-L138 HydrophobicContact CE2-CG 3.75Å; F108-L138 HydrophobicContact CZ-CD1 4.34Å; F108-L138 HydrophobicContact CZ-CD2 3.86Å; F108-L138 HydrophobicContact CZ-CG 3.76Å; F108-E185 CarbonylContact C-O 3.47Å; F108-E185 WeakPolarHBondContact CA-O 3.44Å; F108-E185 WeakPolarHBondContact CD1-O 3.39Å; F108-N186 HydrophobicContact CD1-CB 4.12Å; F108-N186 HydrophobicContact CE1-CB 3.68Å; F108-N186 HydrophobicContact CZ-CB 4.42Å |
| 109 | D | 88.7 | Confident | 86.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.6 | 160.9 | -81.8 | -48.5 | 0 | 0 | 0 | 110.2 | R11 H106 Y111 Y184 E185 N187 Q302 | R11-D109 WeakPolarHBondContact CB-OD1 3.33Å; R11-D109 IonicContact CZ-OD1 3.14Å; R11-D109 IonicContact CZ-OD2 3.69Å; R11-D109 IonicContact NE-OD1 2.73Å; R11-D109 PolarHBondContact NE-OD1 3.42Å; R11-D109 IonicContact NH2-OD1 2.75Å; R11-D109 PolarHBondContact NH2-OD1 2.81Å; R11-D109 IonicContact NH2-OD2 2.7Å; R11-D109 PolarHBondContact NH2-OD2 2.79Å; H106-D109 IonicContact CD2-OD1 3.51Å; H106-D109 IonicContact NE2-OD1 3.37Å; H106-D109 IonicContact NE2-OD2 3.16Å; D109-Y111 HydrophobicContact CB-CE2 3.88Å; D109-Y184 CarbonylContact O-C 3.59Å; D109-Y184 VanDerWaalsContact O-CA 3.23Å; D109-Y184 WeakPolarHBondContact O-CA 3.23Å; D109-E185 HydrophobicContact CB-CB 4.49Å; D109-E185 PolarHBondContact N-O 2.88Å; D109-E185 PolarHBondContact O-N 3.12Å; D109-N187 PolarHBondContact OD2-ND2 2.82Å; D109-Q302 PolarHBondContact OD2-NE2 2.75Å |
| 110 | F | 89.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.1 | 174.7 | 174.5 | -107 | 0 | 0 | 0 | 111 | V10 R11 W12 D182 Y184 | V10-F110 HydrophobicContact CG1-CB 3.6Å; R11-F110 PolarHBondContact O-N 3.08Å; W12-F110 AromaticContact CD1-CD1 3.98Å; W12-F110 AromaticContact CD2-CD1 3.4Å; W12-F110 HydrophobicContact CD2-CD1 3.4Å; W12-F110 VanDerWaalsContact CD2-CD1 3.4Å; W12-F110 AromaticContact CD2-CE1 3.9Å; W12-F110 HydrophobicContact CD2-CE1 3.9Å; W12-F110 HydrophobicContact CD2-CG 4.28Å; W12-F110 AromaticContact CE2-CD1 3.19Å; W12-F110 AromaticContact CE2-CE1 3.6Å; W12-F110 AromaticContact CE2-CG 3.77Å; W12-F110 AromaticContact CE3-CD1 3.83Å; W12-F110 HydrophobicContact CE3-CD1 3.83Å; W12-F110 AromaticContact CE3-CE1 3.9Å; W12-F110 HydrophobicContact CE3-CE1 3.9Å; W12-F110 HydrophobicContact CG-CB 4.28Å; W12-F110 AromaticContact CG-CD1 3.9Å; W12-F110 HydrophobicContact CG-CD1 3.9Å; W12-F110 HydrophobicContact CG-CG 4.49Å; W12-F110 AromaticContact CH2-CD1 3.9Å; W12-F110 HydrophobicContact CH2-CD1 3.9Å; W12-F110 AromaticContact CH2-CE1 3.37Å; W12-F110 HydrophobicContact CH2-CE1 3.37Å; W12-F110 AromaticContact CH2-CZ 4Å; W12-F110 HydrophobicContact CH2-CZ 4Å; W12-F110 AromaticContact CZ2-CD1 3.46Å; W12-F110 HydrophobicContact CZ2-CD1 3.46Å; W12-F110 VanDerWaalsContact CZ2-CD1 3.46Å; W12-F110 AromaticContact CZ2-CE1 3.33Å; W12-F110 HydrophobicContact CZ2-CE1 3.33Å; W12-F110 HydrophobicContact CZ2-CG 4.11Å; W12-F110 AromaticContact CZ2-CZ 3.89Å; W12-F110 HydrophobicContact CZ2-CZ 3.89Å; W12-F110 HydrophobicContact CZ3-CD1 4.07Å; W12-F110 AromaticContact CZ3-CE1 3.66Å; W12-F110 HydrophobicContact CZ3-CE1 3.66Å; W12-F110 AromaticContact NE1-CD1 3.55Å; W12-F110 AromaticContact NE1-CG 3.67Å; F110-D182 HydrophobicContact CE2-CB 3.77Å; F110-Y184 HydrophobicContact CB-CD1 4.28Å; F110-Y184 HydrophobicContact CB-CE1 4.22Å; F110-Y184 AromaticContact CD2-CD1 4Å; F110-Y184 HydrophobicContact CD2-CD1 4Å; F110-Y184 AromaticContact CD2-CE1 3.47Å; F110-Y184 HydrophobicContact CD2-CE1 3.47Å; F110-Y184 VanDerWaalsContact CD2-CE1 3.47Å; F110-Y184 HydrophobicContact CD2-CE2 4.45Å; F110-Y184 AromaticContact CD2-CZ 3.71Å; F110-Y184 HydrophobicContact CE2-CE1 4.27Å; F110-Y184 HydrophobicContact CG-CE1 4.24Å |
| 111 | Y | 83.8 | Confident | 86.5 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 119.1 | 170.3 | -57.6 | -81.4 | 0 | 0 | 0 | 110 | D109 R164 Y183 E185 Q302 | D109-Y111 HydrophobicContact CB-CE2 3.88Å; Y111-R164 PolarHBondContact OH-NH2 2.98Å; Y111-Y183 AromaticContact CD2-CD1 3.88Å; Y111-Y183 HydrophobicContact CD2-CD1 3.88Å; Y111-Y183 HydrophobicContact CD2-CE1 4.19Å; Y111-Y183 HydrophobicContact CG-CD1 4.41Å; Y111-Y183 PolarHBondContact N-O 3.37Å; Y111-E185 HydrophobicContact CD2-CG 4.15Å; Y111-E185 HydrophobicContact CE2-CB 4.24Å; Y111-E185 HydrophobicContact CE2-CG 3.74Å; Y111-Q302 VanDerWaalsContact OH-CD 3.31Å; Y111-Q302 PolarHBondContact OH-NE2 3.18Å; Y111-Q302 PolarHBondContact OH-OE1 2.86Å |
| 112 | T | 76.3 | Confident | 86.8 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 146.8 | 179.4 | -162 | 0 | 0 | 0 | 0 | 111.8 | R114 | T112-R114 WeakPolarHBondContact O-CG 3.45Å; T112-R114 PolarHBondContact O-N 2.8Å; T112-R114 VanDerWaalsContact O-N 3.15Å |
| 113 | D | 75.2 | Confident | 87.2 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41 | 170.5 | -54.1 | -58 | 0 | 0 | 0 | 113.9 | V173 N174 | D113-V173 CarbonylContact O-C 3.51Å; D113-V173 VanDerWaalsContact O-CA 3.27Å; D113-V173 WeakPolarHBondContact O-CA 3.27Å; D113-N174 PolarHBondContact O-N 2.95Å |
| 114 | R | 84.8 | Confident | 88 | Confident | 86 Ų | 86 | 47.5 Ų | 47.5 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 161.8 | 177.7 | -73.2 | 177.3 | -164.7 | -89.9 | -4.6 | 111.3 | T112 V171 K172 V173 Y183 | T112-R114 WeakPolarHBondContact O-CG 3.45Å; T112-R114 PolarHBondContact O-N 2.8Å; T112-R114 VanDerWaalsContact O-N 3.15Å; R114-V171 HydrophobicContact CB-CG1 4.1Å; R114-K172 CarbonylContact C-O 3.54Å; R114-K172 WeakPolarHBondContact CA-O 3.44Å; R114-V173 HydrophobicContact CG-CG2 4.45Å; R114-Y183 HydrophobicContact CB-CD1 4.23Å; R114-Y183 HydrophobicContact CB-CG 4.21Å; R114-Y183 WeakPolarHBondContact O-CB 3.49Å |
| 115 | Y | 89.3 | Confident | 89 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 152.3 | 173.1 | 63.7 | -76.9 | 0 | 0 | 0 | 110.6 | V171 K172 N174 | Y115-V171 CarbonylContact O-C 3.58Å; Y115-V171 VanDerWaalsContact O-CA 3.31Å; Y115-V171 WeakPolarHBondContact O-CA 3.5Å; Y115-K172 HydrophobicContact CD1-CB 4.14Å; Y115-K172 WeakPolarHBondContact CD1-O 3.38Å; Y115-K172 HydrophobicContact CE1-CB 3.6Å; Y115-K172 HydrophobicContact CE2-CB 4.05Å; Y115-K172 HydrophobicContact CE2-CD 4.22Å; Y115-K172 PolarHBondContact N-O 3.49Å; Y115-K172 PolarHBondContact O-N 3.37Å; Y115-N174 HydrophobicContact CD1-CB 4.07Å; Y115-N174 HydrophobicContact CE1-CB 4.23Å |
| 116 | V | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132 | 166.2 | 165.1 | 0 | 0 | 0 | 0 | 108.8 | L120 V121 T149 V171 Y183 | V116-L120 HydrophobicContact CG1-CB 3.65Å; V116-V121 HydrophobicContact CG1-CG2 4.31Å; V116-T149 PolarHBondContact N-OG1 2.82Å; V116-V171 HydrophobicContact CG2-CG2 4.03Å; V116-Y183 HydrophobicContact CB-CE2 4.43Å; V116-Y183 HydrophobicContact CG2-CD2 4.36Å; V116-Y183 HydrophobicContact CG2-CE2 3.43Å; V116-Y183 VanDerWaalsContact CG2-CE2 3.43Å |
| 117 | D | 89.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | trans | -54.3 | 138.1 | 173 | -174.5 | -98.7 | 0 | 0 | 0 | 111.5 | S119 L120 M170 K172 | D117-S119 PolarHBondContact O-N 2.85Å; D117-S119 VanDerWaalsContact OD1-CB 3.27Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.86Å; D117-S119 PolarHBondContact OD1-OG 3.24Å; D117-L120 PolarHBondContact O-N 3.31Å; D117-M170 HydrophobicContact CB-CB 4.42Å; D117-M170 HydrophobicContact CB-CE 3.9Å; D117-M170 WeakPolarHBondContact CB-O 3.4Å; D117-M170 PolarHBondContact N-O 2.83Å; D117-K172 HydrophobicContact CB-CD 4.22Å; D117-K172 WeakPolarHBondContact OD2-CE 3.35Å; D117-K172 IonicContact OD2-NZ 3Å; D117-K172 PolarHBondContact OD2-NZ 3.46Å | ||
| 118 | D | 90 | Very high | 90.3 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -53.4 | -27.9 | -175.9 | -86.2 | 28.7 | 0 | 0 | 0 | 113.3 | L120 V121 K124 | D118-L120 PolarHBondContact O-N 2.77Å; D118-V121 PolarHBondContact O-N 3.3Å; D118-K124 IonicContact OD1-NZ 3.54Å; D118-K124 IonicContact OD2-NZ 3.52Å; D118-K124 PolarHBondContact OD2-NZ 3.33Å |
| 119 | S | 91.3 | Very high | 90.3 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 57% | 0.573 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -67.1 | -18.3 | 176.9 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | D117 M170 | D117-S119 PolarHBondContact O-N 2.85Å; D117-S119 VanDerWaalsContact OD1-CB 3.27Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.86Å; D117-S119 PolarHBondContact OD1-OG 3.24Å; S119-M170 WeakPolarHBondContact OG-CE 3.24Å |
| 120 | L | 89.8 | Confident | 90.5 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -107 | 9.2 | 178.4 | -60.9 | -170.8 | 0 | 0 | 0 | 113 | V116 D117 D118 D122 S160 R162 H167 M170 | V116-L120 HydrophobicContact CG1-CB 3.65Å; D117-L120 PolarHBondContact O-N 3.31Å; D118-L120 PolarHBondContact O-N 2.77Å; L120-D122 PolarHBondContact O-N 2.89Å; L120-S160 WeakPolarHBondContact O-CB 3.36Å; L120-S160 PolarHBondContact O-OG 3.47Å; L120-R162 HydrophobicContact CB-CG 4.26Å; L120-R162 HydrophobicContact CD1-CB 4.2Å; L120-R162 HydrophobicContact CD1-CG 4.08Å; L120-H167 HydrophobicContact CD1-CB 3.9Å; L120-M170 HydrophobicContact CD1-CB 3.19Å; L120-M170 HydrophobicContact CD1-CE 4.39Å; L120-M170 HydrophobicContact CD1-CG 3.65Å; L120-M170 HydrophobicContact CG-CB 4.11Å; L120-M170 HydrophobicContact CG-CE 4.13Å; L120-M170 HydrophobicContact CG-CG 4.38Å |
| 121 | V | 94.1 | Very high | 90.8 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | trans | -81.6 | 112.7 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | V116 D118 R123 K124 M158 | V116-V121 HydrophobicContact CG1-CG2 4.31Å; D118-V121 PolarHBondContact O-N 3.3Å; V121-R123 WeakPolarHBondContact CG1-O 3.24Å; V121-K124 HydrophobicContact CG1-CB 3.98Å; V121-M158 HydrophobicContact CG1-CB 3.77Å; V121-M158 HydrophobicContact CG1-CG 4.07Å; V121-M158 HydrophobicContact CG2-CB 3.91Å; V121-M158 HydrophobicContact CG2-CG 4.32Å; V121-M158 HydrophobicContact CG2-SD 4.46Å | ||
| 122 | D | 96 | Very high | 91.4 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -77.2 | -29.8 | 177.7 | -65.2 | -86 | 0 | 0 | 0 | 111.8 | L120 F143 L159 S160 T161 | L120-D122 PolarHBondContact O-N 2.89Å; D122-F143 HydrophobicContact CB-CD1 4.08Å; D122-F143 HydrophobicContact CB-CD2 4.22Å; D122-F143 HydrophobicContact CB-CE1 3.69Å; D122-F143 HydrophobicContact CB-CE2 3.82Å; D122-F143 HydrophobicContact CB-CG 4.34Å; D122-F143 HydrophobicContact CB-CZ 3.54Å; D122-L159 PolarHBondContact N-O 2.87Å; D122-S160 WeakPolarHBondContact OD2-CA 3.08Å; D122-T161 WeakPolarHBondContact OD2-CB 3.27Å; D122-T161 WeakPolarHBondContact OD2-CG2 3.38Å; D122-T161 PolarHBondContact OD2-N 2.73Å; D122-T161 PolarHBondContact OD2-OG1 3.29Å |
| 123 | R | 96.9 | Very high | 92.4 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 130.3 | 177.1 | -173 | 178.4 | 175.4 | -176.3 | -5.5 | 111.9 | V121 L125 E140 F143 M158 L159 | V121-R123 WeakPolarHBondContact CG1-O 3.24Å; R123-L125 HydrophobicContact CG-CD2 4.29Å; R123-E140 WeakPolarHBondContact CD-OE2 3.49Å; R123-E140 IonicContact CZ-OE2 3.93Å; R123-E140 IonicContact NE-OE2 2.83Å; R123-E140 IonicContact NH1-OE1 3.68Å; R123-E140 IonicContact NH1-OE2 3.74Å; R123-E140 PolarHBondContact NH1-OE2 3.24Å; R123-F143 HydrophobicContact CB-CE1 3.94Å; R123-F143 HydrophobicContact CB-CZ 3.87Å; R123-M158 CarbonylContact O-C 3.56Å; R123-M158 WeakPolarHBondContact O-CA 3.28Å; R123-L159 HydrophobicContact CB-CB 4.29Å; R123-L159 PolarHBondContact N-O 2.85Å; R123-L159 VanDerWaalsContact N-O 3.16Å; R123-L159 PolarHBondContact O-N 2.88Å |
| 124 | K | 96.5 | Very high | 93.5 | Very high | 93 Ų | 93 | 58 Ų | 58 | 40% | 0.404 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.3 | 178.4 | -174.2 | 165.4 | -173.2 | 170.7 | 0 | 110.3 | D118 V121 W156 C157 M158 | D118-K124 IonicContact OD1-NZ 3.54Å; D118-K124 IonicContact OD2-NZ 3.52Å; D118-K124 PolarHBondContact OD2-NZ 3.33Å; V121-K124 HydrophobicContact CG1-CB 3.98Å; K124-W156 HydrophobicContact CG-CD2 4.39Å; K124-W156 HydrophobicContact CG-CE3 3.68Å; K124-W156 HydrophobicContact CG-CZ3 4Å; K124-C157 WeakPolarHBondContact CA-O 3.42Å; K124-M158 HydrophobicContact CB-CG 4.24Å; K124-M158 HydrophobicContact CD-CG 3.93Å; K124-M158 HydrophobicContact CD-SD 4.09Å; K124-M158 HydrophobicContact CG-CG 3.73Å; K124-M158 HydrophobicContact CG-SD 4.49Å |
| 125 | L | 97 | Very high | 94 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 156.7 | 179.1 | 69.6 | 173.4 | 0 | 0 | 0 | 111.5 | R123 V127 L136 W156 C157 | R123-L125 HydrophobicContact CG-CD2 4.29Å; L125-V127 HydrophobicContact CG-CG1 4.2Å; L125-L136 HydrophobicContact CD1-CD1 3.76Å; L125-L136 HydrophobicContact CD2-CD1 4.11Å; L125-L136 HydrophobicContact CG-CD1 4.14Å; L125-W156 VanDerWaalsContact C-CE3 3.41Å; L125-C157 HydrophobicContact CD2-CB 4.15Å; L125-C157 PolarHBondContact N-O 3.4Å; L125-C157 PolarHBondContact O-N 2.94Å |
| 126 | R | 96.7 | Very high | 94.4 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.3 | 172.3 | -61.9 | -175.2 | 81.8 | 159.4 | 1.3 | 109.6 | S154 S155 W156 | R126-S154 PolarHBondContact NE-O 3.19Å; R126-S154 PolarHBondContact NH2-O 2.86Å; R126-S155 VanDerWaalsContact CA-O 3.31Å; R126-S155 WeakPolarHBondContact CA-O 3.28Å; R126-W156 HydrophobicContact CG-CD2 3.71Å; R126-W156 HydrophobicContact CG-CE3 3.55Å; R126-W156 HydrophobicContact CG-CH2 3.67Å; R126-W156 HydrophobicContact CG-CZ2 3.82Å; R126-W156 HydrophobicContact CG-CZ3 3.55Å |
| 127 | V | 96.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -132.7 | 163.2 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | L125 N129 E132 C133 L136 F150 S155 C157 | L125-V127 HydrophobicContact CG-CG1 4.2Å; V127-N129 VanDerWaalsContact CG2-O 3.29Å; V127-N129 WeakPolarHBondContact CG2-O 3.23Å; V127-E132 HydrophobicContact CB-CB 4.06Å; V127-E132 HydrophobicContact CB-CG 3.94Å; V127-E132 WeakPolarHBondContact CB-OE2 3.21Å; V127-E132 HydrophobicContact CG1-CB 4.46Å; V127-E132 HydrophobicContact CG1-CG 3.95Å; V127-C133 HydrophobicContact CG2-CB 4.07Å; V127-L136 HydrophobicContact CG1-CD1 3.46Å; V127-L136 VanDerWaalsContact CG1-CD1 3.46Å; V127-F150 HydrophobicContact CG2-CD2 3.97Å; V127-F150 HydrophobicContact CG2-CE2 3.47Å; V127-F150 VanDerWaalsContact CG2-CE2 3.47Å; V127-F150 HydrophobicContact CG2-CZ 4.44Å; V127-S155 PolarHBondContact N-O 3Å; V127-S155 WeakPolarHBondContact O-CB 3.3Å; V127-C157 HydrophobicContact CG1-CB 3.9Å; V127-C157 HydrophobicContact CG2-CB 3.77Å | ||
| 128 | E | 92.1 | Very high | 95 | Very high | 156 Ų | 156 | 52.4 Ų | 52.4 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -72.1 | -37.4 | -178.4 | -66.6 | -174.4 | 168.1 | 0 | 0 | 112.2 | E132 | E128-E132 PolarHBondContact N-OE2 3.03Š|
| 129 | N | 92.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -155.3 | 175.5 | -171.3 | 54.4 | 58.4 | 0 | 0 | 0 | 111.7 | V127 E131 E132 C133 | V127-N129 VanDerWaalsContact CG2-O 3.29Å; V127-N129 WeakPolarHBondContact CG2-O 3.23Å; N129-E131 VanDerWaalsContact C-N 3.33Å; N129-E131 WeakPolarHBondContact CB-OE2 3.47Å; N129-E131 PolarHBondContact O-N 3.21Å; N129-E131 WeakPolarHBondContact OD1-CB 3.27Å; N129-E131 PolarHBondContact OD1-N 3.44Å; N129-E131 PolarHBondContact OD1-OE2 3.09Å; N129-E132 PolarHBondContact OD1-N 3.24Å; N129-C133 PolarHBondContact O-N 3.06Å |
| 130 | L | 94.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | -179.9 | 171.4 | 62.2 | 0 | 0 | 0 | 111.9 | Y94 E132 C133 L134 F150 Y184 | Y94-L130 HydrophobicContact CD1-CD2 4.46Å; Y94-L130 HydrophobicContact CE1-CD2 3.62Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 PolarHBondContact O-N 2.58Å; L130-C133 WeakPolarHBondContact O-CA 3.09Å; L130-C133 WeakPolarHBondContact O-CB 3.35Å; L130-C133 PolarHBondContact O-N 3.32Å; L130-L134 HydrophobicContact CD1-CD1 4.26Å; L130-L134 HydrophobicContact CD1-CD2 4.21Å; L130-L134 HydrophobicContact CD1-CG 3.93Å; L130-L134 HydrophobicContact CG-CD1 4.09Å; L130-L134 HydrophobicContact CG-CG 4.19Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.34Å; L130-F150 HydrophobicContact CB-CD1 3.78Å; L130-F150 HydrophobicContact CB-CE1 3.9Å; L130-F150 HydrophobicContact CB-CG 4.47Å; L130-F150 HydrophobicContact CD1-CB 3.85Å; L130-F150 HydrophobicContact CD1-CD1 3.94Å; L130-F150 HydrophobicContact CD1-CG 4.07Å; L130-F150 HydrophobicContact CG-CD1 4.44Å; L130-Y184 HydrophobicContact CD1-CD2 4.04Å; L130-Y184 HydrophobicContact CD1-CE1 4.37Å; L130-Y184 HydrophobicContact CD1-CE2 3.24Å; L130-Y184 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y184 HydrophobicContact CD2-CE1 4.36Å; L130-Y184 HydrophobicContact CD2-CE2 4.35Å; L130-Y184 WeakPolarHBondContact CD2-OH 2.81Å; L130-Y184 HydrophobicContact CG-CE2 4.41Å |
| 131 | E | 95.7 | Very high | 95.5 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | -177.4 | -66.1 | 83 | 169.4 | 0 | 0 | 111.3 | Y94 V96 N129 L134 G135 | Y94-E131 HydrophobicContact CD1-CG 4.06Å; V96-E131 WeakPolarHBondContact CG1-O 3.3Å; N129-E131 VanDerWaalsContact C-N 3.33Å; N129-E131 WeakPolarHBondContact CB-OE2 3.47Å; N129-E131 PolarHBondContact O-N 3.21Å; N129-E131 WeakPolarHBondContact OD1-CB 3.27Å; N129-E131 PolarHBondContact OD1-N 3.44Å; N129-E131 PolarHBondContact OD1-OE2 3.09Å; E131-L134 PolarHBondContact O-N 2.97Å; E131-G135 PolarHBondContact O-N 2.88Å |
| 132 | E | 96 | Very high | 95.5 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 173 | -171.8 | 180 | -179 | 0 | 0 | 111.8 | V127 E128 N129 L130 L134 G135 L136 | V127-E132 HydrophobicContact CB-CB 4.06Å; V127-E132 HydrophobicContact CB-CG 3.94Å; V127-E132 WeakPolarHBondContact CB-OE2 3.21Å; V127-E132 HydrophobicContact CG1-CB 4.46Å; V127-E132 HydrophobicContact CG1-CG 3.95Å; E128-E132 PolarHBondContact N-OE2 3.03Å; N129-E132 PolarHBondContact OD1-N 3.24Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 PolarHBondContact O-N 2.58Å; E132-L134 PolarHBondContact O-N 2.95Å; E132-G135 PolarHBondContact O-N 2.67Å; E132-L136 HydrophobicContact CG-CD1 4.39Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.31Å; E132-L136 PolarHBondContact O-N 3.45Å |
| 133 | C | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | V127 N129 L130 G135 L136 C137 F150 C157 | V127-C133 HydrophobicContact CG2-CB 4.07Å; N129-C133 PolarHBondContact O-N 3.06Å; L130-C133 WeakPolarHBondContact O-CA 3.09Å; L130-C133 WeakPolarHBondContact O-CB 3.35Å; L130-C133 PolarHBondContact O-N 3.32Å; C133-G135 VanDerWaalsContact C-N 3.34Å; C133-L136 PolarHBondContact O-N 2.69Å; C133-C137 PolarHBondContact O-N 3.05Å; C133-C137 VanDerWaalsContact O-N 3.15Å; C133-F150 HydrophobicContact CB-CB 4.41Å; C133-F150 HydrophobicContact CB-CD2 3.97Å; C133-F150 HydrophobicContact CB-CG 4.37Å; C133-C157 WeakPolarHBondContact CA-SG 3.48Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.34Å; C133-C157 WeakPolarHBondContact SG-CB 3.36Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.05Å |
| 134 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.8 | -64.5 | 179.3 | 0 | 0 | 0 | 111.2 | V10 V96 F108 L130 E131 E132 C137 L138 Y184 | V10-L134 HydrophobicContact CG2-CD1 4.13Å; V96-L134 HydrophobicContact CG1-CB 4.36Å; V96-L134 HydrophobicContact CG2-CB 4.23Å; V96-L134 HydrophobicContact CG2-CD1 4.38Å; F108-L134 HydrophobicContact CD1-CD2 4.14Å; F108-L134 HydrophobicContact CD2-CD2 4.07Å; F108-L134 HydrophobicContact CE1-CD2 4.05Å; F108-L134 HydrophobicContact CE2-CB 4.05Å; F108-L134 HydrophobicContact CE2-CD2 3.98Å; F108-L134 HydrophobicContact CE2-CG 4.47Å; F108-L134 HydrophobicContact CG-CD2 4.15Å; F108-L134 HydrophobicContact CZ-CB 4.29Å; F108-L134 HydrophobicContact CZ-CD2 3.98Å; L130-L134 HydrophobicContact CD1-CD1 4.26Å; L130-L134 HydrophobicContact CD1-CD2 4.21Å; L130-L134 HydrophobicContact CD1-CG 3.93Å; L130-L134 HydrophobicContact CG-CD1 4.09Å; L130-L134 HydrophobicContact CG-CG 4.19Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.34Å; E131-L134 PolarHBondContact O-N 2.97Å; E132-L134 PolarHBondContact O-N 2.95Å; L134-C137 PolarHBondContact O-N 3.32Å; L134-L138 WeakPolarHBondContact O-CG 3.02Å; L134-L138 PolarHBondContact O-N 2.94Å; L134-L138 VanDerWaalsContact O-N 3.08Å; L134-Y184 HydrophobicContact CD2-CD1 4.05Å; L134-Y184 HydrophobicContact CD2-CD2 4.05Å; L134-Y184 HydrophobicContact CD2-CG 3.77Å |
| 135 | G | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V96 E131 E132 C133 C137 L138 D139 | V96-G135 VanDerWaalsContact CG1-CA 3.4Å; E131-G135 PolarHBondContact O-N 2.88Å; E132-G135 PolarHBondContact O-N 2.67Å; C133-G135 VanDerWaalsContact C-N 3.34Å; G135-C137 VanDerWaalsContact C-N 3.3Å; G135-C137 PolarHBondContact O-N 2.72Å; G135-L138 PolarHBondContact O-N 3.4Å; G135-L138 VanDerWaalsContact O-N 3.13Å; G135-D139 WeakPolarHBondContact O-CB 3.33Å; G135-D139 PolarHBondContact O-N 2.99Å |
| 136 | L | 96.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -37.1 | 176.8 | -70.9 | 166.2 | 0 | 0 | 0 | 113 | L125 V127 E132 C133 E140 L159 | L125-L136 HydrophobicContact CD1-CD1 3.76Å; L125-L136 HydrophobicContact CD2-CD1 4.11Å; L125-L136 HydrophobicContact CG-CD1 4.14Å; V127-L136 HydrophobicContact CG1-CD1 3.46Å; V127-L136 VanDerWaalsContact CG1-CD1 3.46Å; E132-L136 HydrophobicContact CG-CD1 4.39Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.31Å; E132-L136 PolarHBondContact O-N 3.45Å; C133-L136 PolarHBondContact O-N 2.69Å; L136-E140 WeakPolarHBondContact O-CB 3.48Å; L136-E140 PolarHBondContact O-N 2.86Å; L136-L159 HydrophobicContact CB-CD1 4.09Å |
| 137 | C | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -40 | 175.3 | -172 | 0 | 0 | 0 | 0 | 112.2 | F108 C133 L134 G135 D139 C145 A148 L159 | F108-C137 HydrophobicContact CE1-CB 4.33Å; F108-C137 HydrophobicContact CZ-CB 4.19Å; C133-C137 PolarHBondContact O-N 3.05Å; C133-C137 VanDerWaalsContact O-N 3.15Å; L134-C137 PolarHBondContact O-N 3.32Å; G135-C137 VanDerWaalsContact C-N 3.3Å; G135-C137 PolarHBondContact O-N 2.72Å; C137-D139 VanDerWaalsContact C-N 3.33Å; C137-C145 WeakPolarHBondContact CA-SG 3.35Å; C137-C145 HydrophobicContact CB-CB 4.09Å; C137-C145 WeakPolarHBondContact CB-SG 3.29Å; C137-C145 VanDerWaalsContact O-CB 3.26Å; C137-C145 WeakPolarHBondContact O-CB 3.1Å; C137-C145 WeakPolarHBondContact SG-CB 3.33Å; C137-C145 CovalentContact SG-SG 2.05Å; C137-C145 PolarHBondContact SG-SG 2.77Å; C137-A148 HydrophobicContact CB-CB 4.15Å; C137-L159 HydrophobicContact CB-CD2 3.81Å |
| 138 | L | 95.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.9 | -32.1 | 177.1 | -68.7 | 174 | 0 | 0 | 0 | 112.6 | V8 V96 T98 A101 F108 L134 G135 C188 | V8-L138 HydrophobicContact CG2-CD1 4.14Å; V96-L138 HydrophobicContact CG1-CD1 4.49Å; T98-L138 HydrophobicContact CG2-CD1 3.75Å; A101-L138 HydrophobicContact CB-CD1 4.24Å; F108-L138 HydrophobicContact CE2-CD1 3.83Å; F108-L138 HydrophobicContact CE2-CD2 3.86Å; F108-L138 HydrophobicContact CE2-CG 3.75Å; F108-L138 HydrophobicContact CZ-CD1 4.34Å; F108-L138 HydrophobicContact CZ-CD2 3.86Å; F108-L138 HydrophobicContact CZ-CG 3.76Å; L134-L138 WeakPolarHBondContact O-CG 3.02Å; L134-L138 PolarHBondContact O-N 2.94Å; L134-L138 VanDerWaalsContact O-N 3.08Å; G135-L138 PolarHBondContact O-N 3.4Å; G135-L138 VanDerWaalsContact O-N 3.13Å; L138-C188 HydrophobicContact CD2-CB 4.09Å |
| 139 | D | 95.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -97.2 | 0.8 | -175.9 | -65 | -23 | 0 | 0 | 0 | 113.8 | T98 N100 G135 C137 K141 | T98-D139 VanDerWaalsContact OG1-CG 3.32Å; T98-D139 PolarHBondContact OG1-OD1 2.04Å; T98-D139 PolarHBondContact OG1-OD2 3.37Å; N100-D139 WeakPolarHBondContact CB-OD1 3.29Å; N100-D139 PolarHBondContact ND2-OD1 2.85Å; G135-D139 WeakPolarHBondContact O-CB 3.33Å; G135-D139 PolarHBondContact O-N 2.99Å; C137-D139 VanDerWaalsContact C-N 3.33Å; D139-K141 PolarHBondContact O-N 2.82Å |
| 140 | E | 94.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | trans | -65.2 | 127.5 | 179.7 | -174.8 | 54.3 | -95.5 | 0 | 0 | 110.9 | R123 L136 K142 F143 C145 | R123-E140 WeakPolarHBondContact CD-OE2 3.49Å; R123-E140 IonicContact CZ-OE2 3.93Å; R123-E140 IonicContact NE-OE2 2.83Å; R123-E140 IonicContact NH1-OE1 3.68Å; R123-E140 IonicContact NH1-OE2 3.74Å; R123-E140 PolarHBondContact NH1-OE2 3.24Å; L136-E140 WeakPolarHBondContact O-CB 3.48Å; L136-E140 PolarHBondContact O-N 2.86Å; E140-K142 WeakPolarHBondContact OE1-CB 3.3Å; E140-K142 WeakPolarHBondContact OE1-CG 2.83Å; E140-K142 PolarHBondContact OE1-N 2.94Å; E140-F143 HydrophobicContact CG-CD1 4.01Å; E140-F143 HydrophobicContact CG-CD2 4.13Å; E140-F143 HydrophobicContact CG-CE1 3.8Å; E140-F143 HydrophobicContact CG-CE2 3.94Å; E140-F143 HydrophobicContact CG-CG 4.17Å; E140-F143 HydrophobicContact CG-CZ 3.76Å; E140-F143 WeakPolarHBondContact CG-O 3.16Å; E140-C145 HydrophobicContact CB-CB 4.11Å | ||
| 141 | K | 91.5 | Very high | 94.2 | Very high | 188 Ų | 188 | 36.9 Ų | 36.9 | 82% | 0.817 | 17% | 0.173 | S | C | * | . | trans | -113 | -21.4 | -176.9 | -64.6 | -177.8 | -177.8 | 180 | 0 | 112.9 | D139 F143 | D139-K141 PolarHBondContact O-N 2.82Å; K141-F143 VanDerWaalsContact C-N 3.32Å | ||
| 142 | K | 92.8 | Very high | 93.7 | Very high | 180 Ų | 180 | 38.1 Ų | 38.1 | 78% | 0.783 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -72 | -31.5 | -177.8 | -65.5 | -177.8 | 178.2 | -176.1 | 0 | 111.9 | E140 | E140-K142 WeakPolarHBondContact OE1-CB 3.3Å; E140-K142 WeakPolarHBondContact OE1-CG 2.83Å; E140-K142 PolarHBondContact OE1-N 2.94Å |
| 143 | F | 91.5 | Very high | 93.2 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -152.8 | 163.1 | 177.9 | 60.1 | -93.6 | 0 | 0 | 0 | 109.8 | D122 R123 E140 K141 C145 L159 T161 | D122-F143 HydrophobicContact CB-CD1 4.08Å; D122-F143 HydrophobicContact CB-CD2 4.22Å; D122-F143 HydrophobicContact CB-CE1 3.69Å; D122-F143 HydrophobicContact CB-CE2 3.82Å; D122-F143 HydrophobicContact CB-CG 4.34Å; D122-F143 HydrophobicContact CB-CZ 3.54Å; R123-F143 HydrophobicContact CB-CE1 3.94Å; R123-F143 HydrophobicContact CB-CZ 3.87Å; E140-F143 HydrophobicContact CG-CD1 4.01Å; E140-F143 HydrophobicContact CG-CD2 4.13Å; E140-F143 HydrophobicContact CG-CE1 3.8Å; E140-F143 HydrophobicContact CG-CE2 3.94Å; E140-F143 HydrophobicContact CG-CG 4.17Å; E140-F143 HydrophobicContact CG-CZ 3.76Å; E140-F143 WeakPolarHBondContact CG-O 3.16Å; K141-F143 VanDerWaalsContact C-N 3.32Å; F143-C145 HydrophobicContact CE2-CB 4.14Å; F143-C145 PolarHBondContact O-N 2.8Å; F143-C145 VanDerWaalsContact O-N 3.14Å; F143-L159 HydrophobicContact CE2-CB 4.23Å; F143-L159 HydrophobicContact CZ-CB 3.93Å; F143-T161 HydrophobicContact CB-CG2 3.68Å; F143-T161 HydrophobicContact CD2-CG2 3.39Å; F143-T161 HydrophobicContact CE2-CG2 4.27Å; F143-T161 HydrophobicContact CG-CG2 3.78Å |
| 144 | T | 87.7 | Confident | 92.9 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | trans | -76.2 | 100.8 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | R146 T161 Q189 | T144-R146 HydrophobicContact CG2-CG 4.46Å; T144-R146 PolarHBondContact O-N 2.73Å; T144-R146 VanDerWaalsContact O-N 3.11Å; T144-T161 WeakPolarHBondContact O-CA 3.25Å; T144-Q189 HydrophobicContact CG2-CB 3.96Å; T144-Q189 HydrophobicContact CG2-CG 3.59Å | ||
| 145 | C | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | trans | -68.4 | 107.9 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | C137 E140 F143 S147 N186 Q189 | C137-C145 WeakPolarHBondContact CA-SG 3.35Å; C137-C145 HydrophobicContact CB-CB 4.09Å; C137-C145 WeakPolarHBondContact CB-SG 3.29Å; C137-C145 VanDerWaalsContact O-CB 3.26Å; C137-C145 WeakPolarHBondContact O-CB 3.1Å; C137-C145 WeakPolarHBondContact SG-CB 3.33Å; C137-C145 CovalentContact SG-SG 2.05Å; C137-C145 PolarHBondContact SG-SG 2.77Å; E140-C145 HydrophobicContact CB-CB 4.11Å; F143-C145 HydrophobicContact CE2-CB 4.14Å; F143-C145 PolarHBondContact O-N 2.8Å; F143-C145 VanDerWaalsContact O-N 3.14Å; C145-S147 PolarHBondContact SG-O 2.82Å; C145-S147 VanDerWaalsContact SG-O 3.32Å; C145-N186 WeakPolarHBondContact O-CB 3.43Å; C145-N186 PolarHBondContact O-ND2 2.05Å; C145-Q189 WeakPolarHBondContact O-CG 3.32Å | ||
| 146 | R | 89.5 | Confident | 92.6 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | trans | -94 | -23.7 | 177.5 | -60.9 | -169.9 | 87.3 | 100.8 | -3 | 112.7 | T144 S160 T161 N186 F212 | T144-R146 HydrophobicContact CG2-CG 4.46Å; T144-R146 PolarHBondContact O-N 2.73Å; T144-R146 VanDerWaalsContact O-N 3.11Å; R146-S160 PolarHBondContact N-O 2.86Å; R146-T161 WeakPolarHBondContact CD-O 3.46Å; R146-T161 VanDerWaalsContact CG-O 3.26Å; R146-T161 WeakPolarHBondContact CG-O 3.35Å; R146-N186 PolarHBondContact O-N 2.78Å; R146-F212 VanDerWaalsContact NH1-CG 3.29Å | ||
| 147 | S | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 156.9 | 173.2 | 71.3 | 0 | 0 | 0 | 0 | 113 | C145 S160 R162 Y183 Y184 | C145-S147 PolarHBondContact SG-O 2.82Å; C145-S147 VanDerWaalsContact SG-O 3.32Å; S147-S160 PolarHBondContact N-O 3.5Å; S147-S160 PolarHBondContact O-N 2.86Å; S147-R162 WeakPolarHBondContact CB-O 3.16Å; S147-R162 PolarHBondContact OG-O 3.4Å; S147-Y183 VanDerWaalsContact CB-CE2 3.43Å; S147-Y183 WeakPolarHBondContact CB-OH 3.23Å; S147-Y183 WeakPolarHBondContact OG-CE2 3.27Å; S147-Y183 PolarHBondContact OG-OH 3.37Å; S147-Y184 CarbonylContact C-O 3.54Å; S147-Y184 WeakPolarHBondContact CA-O 2.99Å; S147-Y184 WeakPolarHBondContact CB-O 3.45Å |
| 148 | A | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | C137 M158 L159 Y184 | C137-A148 HydrophobicContact CB-CB 4.15Å; A148-M158 CarbonylContact C-O 3.59Å; A148-M158 WeakPolarHBondContact CA-O 3.06Å; A148-L159 HydrophobicContact CB-CD2 3.79Å; A148-Y184 PolarHBondContact N-O 2.8Å; A148-Y184 PolarHBondContact O-N 2.91Å |
| 149 | T | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125 | 168.4 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | V116 M158 I181 D182 Y183 | V116-T149 PolarHBondContact N-OG1 2.82Å; T149-M158 HydrophobicContact CG2-CE 3.49Å; T149-M158 VanDerWaalsContact CG2-CE 3.49Å; T149-M158 PolarHBondContact N-O 3.23Å; T149-M158 PolarHBondContact O-N 3.49Å; T149-I181 HydrophobicContact CG2-CG2 3.25Å; T149-D182 CarbonylContact C-O 3.53Å; T149-D182 WeakPolarHBondContact CA-O 3.08Å; T149-Y183 WeakPolarHBondContact OG1-CD2 3.26Å |
| 150 | F | 94.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.4 | 176.5 | -177.7 | -115.8 | 0 | 0 | 0 | 110.6 | V127 L130 C133 R152 W156 C157 D182 Y184 | V127-F150 HydrophobicContact CG2-CD2 3.97Å; V127-F150 HydrophobicContact CG2-CE2 3.47Å; V127-F150 VanDerWaalsContact CG2-CE2 3.47Å; V127-F150 HydrophobicContact CG2-CZ 4.44Å; L130-F150 HydrophobicContact CB-CD1 3.78Å; L130-F150 HydrophobicContact CB-CE1 3.9Å; L130-F150 HydrophobicContact CB-CG 4.47Å; L130-F150 HydrophobicContact CD1-CB 3.85Å; L130-F150 HydrophobicContact CD1-CD1 3.94Å; L130-F150 HydrophobicContact CD1-CG 4.07Å; L130-F150 HydrophobicContact CG-CD1 4.44Å; C133-F150 HydrophobicContact CB-CB 4.41Å; C133-F150 HydrophobicContact CB-CD2 3.97Å; C133-F150 HydrophobicContact CB-CG 4.37Å; F150-R152 HydrophobicContact CD1-CG 3.94Å; F150-R152 HydrophobicContact CE1-CB 4.37Å; F150-R152 HydrophobicContact CE1-CG 3.84Å; F150-W156 WeakPolarHBondContact CA-O 3.23Å; F150-C157 HydrophobicContact CD2-CB 4.47Å; F150-D182 PolarHBondContact N-O 2.68Å; F150-D182 PolarHBondContact O-N 2.72Å; F150-Y184 HydrophobicContact CB-CE2 4.46Å |
| 151 | N | 90.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 106.5 | 175.4 | -177 | -47.1 | 0 | 0 | 0 | 109.2 | T153 S154 S155 W156 I181 | N151-T153 VanDerWaalsContact C-N 3.26Å; N151-T153 PolarHBondContact O-N 3.21Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.49Å; N151-S154 WeakPolarHBondContact CB-OG 3.21Å; N151-S154 PolarHBondContact ND2-OG 3.14Å; N151-S154 PolarHBondContact O-N 2.82Å; N151-S154 PolarHBondContact OD1-N 3.47Å; N151-S154 PolarHBondContact OD1-OG 2.79Å; N151-S155 WeakPolarHBondContact O-CA 3.36Å; N151-S155 PolarHBondContact O-N 2.77Å; N151-W156 HydrophobicContact CB-CB 4.38Å; N151-W156 PolarHBondContact N-O 3.36Å; N151-I181 HydrophobicContact CB-CG1 4.4Å |
| 152 | R | 85.8 | Confident | 92.2 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.1 | -177.7 | -59.3 | -173.3 | -178.4 | 171.6 | 10.2 | 113.3 | F150 R180 D182 | F150-R152 HydrophobicContact CD1-CG 3.94Å; F150-R152 HydrophobicContact CE1-CB 4.37Å; F150-R152 HydrophobicContact CE1-CG 3.84Å; R152-R180 HydrophobicContact CB-CB 4.06Å; R152-R180 HydrophobicContact CG-CB 4.48Å; R152-R180 PolarHBondContact N-O 3.08Å; R152-D182 IonicContact CZ-OD1 3.84Å; R152-D182 IonicContact CZ-OD2 3.94Å; R152-D182 IonicContact NE-OD1 2.78Å; R152-D182 IonicContact NE-OD2 3.86Å; R152-D182 PolarHBondContact NE-OD2 2.45Å; R152-D182 IonicContact NH2-OD1 2.67Å; R152-D182 PolarHBondContact NH2-OD1 3.32Å; R152-D182 IonicContact NH2-OD2 2.72Å; R152-D182 PolarHBondContact NH2-OD2 3.11Å |
| 153 | T | 85.8 | Confident | 91.6 | Very high | 83 Ų | 83 | 28.4 Ų | 28.4 | 51% | 0.509 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -38.8 | -178.9 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | N151 N178 R180 | N151-T153 VanDerWaalsContact C-N 3.26Å; N151-T153 PolarHBondContact O-N 3.21Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.49Å; T153-N178 PolarHBondContact OG1-O 3.04Å; T153-R180 PolarHBondContact OG1-N 2.8Å |
| 154 | S | 90.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -9.6 | -174.6 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | R126 N151 W156 | R126-S154 PolarHBondContact NE-O 3.19Å; R126-S154 PolarHBondContact NH2-O 2.86Å; N151-S154 WeakPolarHBondContact CB-OG 3.21Å; N151-S154 PolarHBondContact ND2-OG 3.14Å; N151-S154 PolarHBondContact O-N 2.82Å; N151-S154 PolarHBondContact OD1-N 3.47Å; N151-S154 PolarHBondContact OD1-OG 2.79Å; S154-W156 PolarHBondContact O-N 3Å |
| 155 | S | 92.9 | Very high | 89.8 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 23.8 | -174 | -31.5 | 0 | 0 | 0 | 0 | 114.5 | R126 V127 N151 | R126-S155 VanDerWaalsContact CA-O 3.31Å; R126-S155 WeakPolarHBondContact CA-O 3.28Å; V127-S155 PolarHBondContact N-O 3Å; V127-S155 WeakPolarHBondContact O-CB 3.3Å; N151-S155 WeakPolarHBondContact O-CA 3.36Å; N151-S155 PolarHBondContact O-N 2.77Å |
| 156 | W | 95.1 | Very high | 88.6 | Confident | 90 Ų | 90 | 27.1 Ų | 27.1 | 34% | 0.341 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.3 | 171.7 | -74.9 | 117.4 | 0 | 0 | 0 | 110.7 | K124 L125 R126 F150 N151 S154 | K124-W156 HydrophobicContact CG-CD2 4.39Å; K124-W156 HydrophobicContact CG-CE3 3.68Å; K124-W156 HydrophobicContact CG-CZ3 4Å; L125-W156 VanDerWaalsContact C-CE3 3.41Å; R126-W156 HydrophobicContact CG-CD2 3.71Å; R126-W156 HydrophobicContact CG-CE3 3.55Å; R126-W156 HydrophobicContact CG-CH2 3.67Å; R126-W156 HydrophobicContact CG-CZ2 3.82Å; R126-W156 HydrophobicContact CG-CZ3 3.55Å; F150-W156 WeakPolarHBondContact CA-O 3.23Å; N151-W156 HydrophobicContact CB-CB 4.38Å; N151-W156 PolarHBondContact N-O 3.36Å; S154-W156 PolarHBondContact O-N 3Å |
| 157 | C | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126 | 165.8 | -177.7 | 0 | 0 | 0 | 0 | 109 | K124 L125 V127 C133 F150 L159 | K124-C157 WeakPolarHBondContact CA-O 3.42Å; L125-C157 HydrophobicContact CD2-CB 4.15Å; L125-C157 PolarHBondContact N-O 3.4Å; L125-C157 PolarHBondContact O-N 2.94Å; V127-C157 HydrophobicContact CG1-CB 3.9Å; V127-C157 HydrophobicContact CG2-CB 3.77Å; C133-C157 WeakPolarHBondContact CA-SG 3.48Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.34Å; C133-C157 WeakPolarHBondContact SG-CB 3.36Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.05Å; F150-C157 HydrophobicContact CD2-CB 4.47Å; C157-L159 VanDerWaalsContact SG-CD2 3.59Å |
| 158 | M | 97.1 | Very high | 86.7 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 112.1 | -178 | -67.6 | 167.3 | -59.2 | 0 | 0 | 108.3 | V121 R123 K124 A148 T149 | V121-M158 HydrophobicContact CG1-CB 3.77Å; V121-M158 HydrophobicContact CG1-CG 4.07Å; V121-M158 HydrophobicContact CG2-CB 3.91Å; V121-M158 HydrophobicContact CG2-CG 4.32Å; V121-M158 HydrophobicContact CG2-SD 4.46Å; R123-M158 CarbonylContact O-C 3.56Å; R123-M158 WeakPolarHBondContact O-CA 3.28Å; K124-M158 HydrophobicContact CB-CG 4.24Å; K124-M158 HydrophobicContact CD-CG 3.93Å; K124-M158 HydrophobicContact CD-SD 4.09Å; K124-M158 HydrophobicContact CG-CG 3.73Å; K124-M158 HydrophobicContact CG-SD 4.49Å; A148-M158 CarbonylContact C-O 3.59Å; A148-M158 WeakPolarHBondContact CA-O 3.06Å; T149-M158 HydrophobicContact CG2-CE 3.49Å; T149-M158 VanDerWaalsContact CG2-CE 3.49Å; T149-M158 PolarHBondContact N-O 3.23Å; T149-M158 PolarHBondContact O-N 3.49Å |
| 159 | L | 97.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.6 | -178.9 | -52.5 | -175.1 | 0 | 0 | 0 | 109.5 | D122 R123 L136 C137 F143 A148 C157 | D122-L159 PolarHBondContact N-O 2.87Å; R123-L159 HydrophobicContact CB-CB 4.29Å; R123-L159 PolarHBondContact N-O 2.85Å; R123-L159 VanDerWaalsContact N-O 3.16Å; R123-L159 PolarHBondContact O-N 2.88Å; L136-L159 HydrophobicContact CB-CD1 4.09Å; C137-L159 HydrophobicContact CB-CD2 3.81Å; F143-L159 HydrophobicContact CE2-CB 4.23Å; F143-L159 HydrophobicContact CZ-CB 3.93Å; A148-L159 HydrophobicContact CB-CD2 3.79Å; C157-L159 VanDerWaalsContact SG-CD2 3.59Å |
| 160 | S | 94.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.4 | -179.3 | -174.5 | 0 | 0 | 0 | 0 | 112 | L120 D122 R146 S147 R162 | L120-S160 WeakPolarHBondContact O-CB 3.36Å; L120-S160 PolarHBondContact O-OG 3.47Å; D122-S160 WeakPolarHBondContact OD2-CA 3.08Å; R146-S160 PolarHBondContact N-O 2.86Å; S147-S160 PolarHBondContact N-O 3.5Å; S147-S160 PolarHBondContact O-N 2.86Å; S160-R162 PolarHBondContact O-N 2.9Å; S160-R162 WeakPolarHBondContact OG-CB 3.12Å; S160-R162 PolarHBondContact OG-N 3.39Å |
| 161 | T | 90.2 | Very high | 84.2 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -70 | -6.8 | 163.9 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | D122 F143 T144 R146 | D122-T161 WeakPolarHBondContact OD2-CB 3.27Å; D122-T161 WeakPolarHBondContact OD2-CG2 3.38Å; D122-T161 PolarHBondContact OD2-N 2.73Å; D122-T161 PolarHBondContact OD2-OG1 3.29Å; F143-T161 HydrophobicContact CB-CG2 3.68Å; F143-T161 HydrophobicContact CD2-CG2 3.39Å; F143-T161 HydrophobicContact CE2-CG2 4.27Å; F143-T161 HydrophobicContact CG-CG2 3.78Å; T144-T161 WeakPolarHBondContact O-CA 3.25Å; R146-T161 WeakPolarHBondContact CD-O 3.46Å; R146-T161 VanDerWaalsContact CG-O 3.26Å; R146-T161 WeakPolarHBondContact CG-O 3.35Å |
| 162 | R | 86.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | trans | -108.5 | 150.3 | -176.2 | -47.4 | -54.9 | 177.6 | 171 | 1 | 110.8 | L120 S147 S160 T166 H167 | L120-R162 HydrophobicContact CB-CG 4.26Å; L120-R162 HydrophobicContact CD1-CB 4.2Å; L120-R162 HydrophobicContact CD1-CG 4.08Å; S147-R162 WeakPolarHBondContact CB-O 3.16Å; S147-R162 PolarHBondContact OG-O 3.4Å; S160-R162 PolarHBondContact O-N 2.9Å; S160-R162 WeakPolarHBondContact OG-CB 3.12Å; S160-R162 PolarHBondContact OG-N 3.39Å; R162-T166 VanDerWaalsContact CA-OG1 3.3Å; R162-T166 WeakPolarHBondContact CA-OG1 3.33Å; R162-H167 HydrophobicContact CB-CB 4.31Å | ||
| 163 | S | 79.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -137.2 | 177.4 | 174.6 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | Q165 T166 H167 Y183 | S163-Q165 PolarHBondContact O-N 3.21Å; S163-Q165 PolarHBondContact OG-N 1.99Å; S163-Q165 PolarHBondContact OG-OE1 3.02Å; S163-T166 PolarHBondContact N-OG1 3.41Å; S163-T166 PolarHBondContact O-N 3.12Å; S163-T166 VanDerWaalsContact O-N 3.14Å; S163-T166 PolarHBondContact O-OG1 2.93Å; S163-H167 PolarHBondContact O-N 2.88Å; S163-Y183 WeakPolarHBondContact CA-OH 3.12Å | ||
| 164 | R | 77.5 | Confident | 83 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31 | 170.8 | -69.4 | 162.8 | 19.2 | 138.8 | 3.4 | 112.1 | Y111 P168 V171 Y183 E185 | Y111-R164 PolarHBondContact OH-NH2 2.98Å; R164-P168 WeakPolarHBondContact O-CA 3.4Å; R164-P168 VanDerWaalsContact O-CB 3.25Å; R164-P168 WeakPolarHBondContact O-CB 3.2Å; R164-P168 VanDerWaalsContact O-CD 3.26Å; R164-P168 WeakPolarHBondContact O-CD 3.31Å; R164-V171 HydrophobicContact CG-CB 4.03Å; R164-V171 HydrophobicContact CG-CG1 3.9Å; R164-V171 HydrophobicContact CG-CG2 3.97Å; R164-Y183 HydrophobicContact CG-CE1 4.03Å; R164-E185 WeakPolarHBondContact CA-OE1 3.34Å; R164-E185 WeakPolarHBondContact CB-OE1 3.37Å; R164-E185 VanDerWaalsContact CD-OE1 3.27Å; R164-E185 WeakPolarHBondContact CD-OE1 3.41Å; R164-E185 WeakPolarHBondContact CG-OE1 3.25Å; R164-E185 PolarHBondContact N-OE1 3.34Å; R164-E185 IonicContact NE-OE1 3.66Å |
| 165 | Q | 65 | Low | 82.3 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -57.2 | 173.4 | -64.1 | 78.3 | 36.6 | 0 | 0 | 110.1 | S163 E185 L269 | S163-Q165 PolarHBondContact O-N 3.21Å; S163-Q165 PolarHBondContact OG-N 1.99Å; S163-Q165 PolarHBondContact OG-OE1 3.02Å; Q165-E185 PolarHBondContact NE2-OE2 2.67Å; Q165-E185 PolarHBondContact OE1-OE2 3.02Å; Q165-L269 WeakPolarHBondContact CG-O 3.42Å; Q165-L269 PolarHBondContact NE2-O 3.04Å; Q165-L269 VanDerWaalsContact NE2-O 3.09Å |
| 166 | T | 67.4 | Low | 81.3 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -38.3 | -171.6 | 61 | 0 | 0 | 0 | 0 | 112.9 | R162 S163 T215 | R162-T166 VanDerWaalsContact CA-OG1 3.3Å; R162-T166 WeakPolarHBondContact CA-OG1 3.33Å; S163-T166 PolarHBondContact N-OG1 3.41Å; S163-T166 PolarHBondContact O-N 3.12Å; S163-T166 VanDerWaalsContact O-N 3.14Å; S163-T166 PolarHBondContact O-OG1 2.93Å; T166-T215 WeakPolarHBondContact O-CB 3.49Å |
| 167 | H | 73.9 | Confident | 80.1 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 22% | 0.218 | 22% | 0.223 | C | C | . | . | trans | -144.8 | 64.5 | -169.9 | -74 | 61.8 | 0 | 0 | 0 | 111.2 | L120 R162 S163 K169 M170 V171 | L120-H167 HydrophobicContact CD1-CB 3.9Å; R162-H167 HydrophobicContact CB-CB 4.31Å; S163-H167 PolarHBondContact O-N 2.88Å; H167-K169 VanDerWaalsContact C-N 3.28Å; H167-K169 PolarHBondContact O-N 3.42Å; H167-M170 HydrophobicContact CB-CB 4.36Å; H167-M170 PolarHBondContact O-N 3.38Å; H167-V171 PolarHBondContact O-N 3.12Å | ||
| 168 | P | 69 | Low | 78.5 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -58.3 | -36.8 | -172.3 | 19.2 | -30.3 | 0 | 0 | 0 | 113.6 | R164 M170 V171 | R164-P168 WeakPolarHBondContact O-CA 3.4Å; R164-P168 VanDerWaalsContact O-CB 3.25Å; R164-P168 WeakPolarHBondContact O-CB 3.2Å; R164-P168 VanDerWaalsContact O-CD 3.26Å; R164-P168 WeakPolarHBondContact O-CD 3.31Å; P168-M170 PolarHBondContact O-N 2.9Å; P168-V171 PolarHBondContact O-N 3.46Å |
| 169 | K | 71.5 | Confident | 77.1 | Confident | 192 Ų | 192 | 54.9 Ų | 54.9 | 84% | 0.835 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -65.9 | -21.3 | -179 | -66.7 | -177.1 | 179.4 | 177.6 | 0 | 113.7 | H167 | H167-K169 VanDerWaalsContact C-N 3.28Å; H167-K169 PolarHBondContact O-N 3.42Å |
| 170 | M | 80.3 | Confident | 76.1 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -101.5 | -4.6 | -176.2 | -60.1 | -63.8 | -77 | 0 | 0 | 112.3 | D117 S119 L120 H167 P168 K172 | D117-M170 HydrophobicContact CB-CB 4.42Å; D117-M170 HydrophobicContact CB-CE 3.9Å; D117-M170 WeakPolarHBondContact CB-O 3.4Å; D117-M170 PolarHBondContact N-O 2.83Å; S119-M170 WeakPolarHBondContact OG-CE 3.24Å; L120-M170 HydrophobicContact CD1-CB 3.19Å; L120-M170 HydrophobicContact CD1-CE 4.39Å; L120-M170 HydrophobicContact CD1-CG 3.65Å; L120-M170 HydrophobicContact CG-CB 4.11Å; L120-M170 HydrophobicContact CG-CE 4.13Å; L120-M170 HydrophobicContact CG-CG 4.38Å; H167-M170 HydrophobicContact CB-CB 4.36Å; H167-M170 PolarHBondContact O-N 3.38Å; P168-M170 PolarHBondContact O-N 2.9Å; M170-K172 PolarHBondContact O-N 3.38Å |
| 171 | V | 82.2 | Confident | 75.6 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 93.4 | 163.7 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | R114 Y115 V116 R164 H167 P168 Y183 | R114-V171 HydrophobicContact CB-CG1 4.1Å; Y115-V171 CarbonylContact O-C 3.58Å; Y115-V171 VanDerWaalsContact O-CA 3.31Å; Y115-V171 WeakPolarHBondContact O-CA 3.5Å; V116-V171 HydrophobicContact CG2-CG2 4.03Å; R164-V171 HydrophobicContact CG-CB 4.03Å; R164-V171 HydrophobicContact CG-CG1 3.9Å; R164-V171 HydrophobicContact CG-CG2 3.97Å; H167-V171 PolarHBondContact O-N 3.12Å; P168-V171 PolarHBondContact O-N 3.46Å; V171-Y183 HydrophobicContact CG1-CD1 4Å; V171-Y183 HydrophobicContact CG1-CE1 3.73Å; V171-Y183 HydrophobicContact CG1-CG 4.49Å; V171-Y183 HydrophobicContact CG2-CE1 4.38Å |
| 172 | K | 81 | Confident | 75.5 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 152.6 | -173.7 | -68.2 | -177.6 | 173.6 | 178.4 | 0 | 111.1 | R114 Y115 D117 M170 | R114-K172 CarbonylContact C-O 3.54Å; R114-K172 WeakPolarHBondContact CA-O 3.44Å; Y115-K172 HydrophobicContact CD1-CB 4.14Å; Y115-K172 WeakPolarHBondContact CD1-O 3.38Å; Y115-K172 HydrophobicContact CE1-CB 3.6Å; Y115-K172 HydrophobicContact CE2-CB 4.05Å; Y115-K172 HydrophobicContact CE2-CD 4.22Å; Y115-K172 PolarHBondContact N-O 3.49Å; Y115-K172 PolarHBondContact O-N 3.37Å; D117-K172 HydrophobicContact CB-CD 4.22Å; D117-K172 WeakPolarHBondContact OD2-CE 3.35Å; D117-K172 IonicContact OD2-NZ 3Å; D117-K172 PolarHBondContact OD2-NZ 3.46Å; M170-K172 PolarHBondContact O-N 3.38Å |
| 173 | V | 79.6 | Confident | 75.7 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.5 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | D113 R114 N175 | D113-V173 CarbonylContact O-C 3.51Å; D113-V173 VanDerWaalsContact O-CA 3.27Å; D113-V173 WeakPolarHBondContact O-CA 3.27Å; R114-V173 HydrophobicContact CG-CG2 4.45Å; V173-N175 PolarHBondContact O-N 2.92Å; V173-N175 PolarHBondContact O-ND2 2.96Å |
| 174 | N | 76.2 | Confident | 76.4 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | trans | -72.2 | 115.1 | 170.5 | 179.1 | 38.3 | 0 | 0 | 0 | 109 | D113 Y115 N176 Y179 | D113-N174 PolarHBondContact O-N 2.95Å; Y115-N174 HydrophobicContact CD1-CB 4.07Å; Y115-N174 HydrophobicContact CE1-CB 4.23Å; N174-N176 PolarHBondContact ND2-O 2.8Å; N174-N176 PolarHBondContact OD1-N 2.91Å; N174-N176 PolarHBondContact OD1-O 3.22Å; N174-Y179 PolarHBondContact ND2-O 2.97Å | ||
| 175 | N | 74.8 | Confident | 77 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | trans | -106.9 | 9.5 | 176.4 | -60.8 | -84.7 | 0 | 0 | 0 | 111.6 | V173 K532 | V173-N175 PolarHBondContact O-N 2.92Å; V173-N175 PolarHBondContact O-ND2 2.96Å; N175-K532 WeakPolarHBondContact ND2-CE 3.35Å; N175-K532 PolarHBondContact ND2-NZ 3.17Å | ||
| 176 | N | 71.2 | Confident | 78.3 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | trans | -108.5 | 108.3 | -177.1 | -172.3 | -21.6 | 0 | 0 | 0 | 109.7 | N174 N178 Y179 | N174-N176 PolarHBondContact ND2-O 2.8Å; N174-N176 PolarHBondContact OD1-N 2.91Å; N174-N176 PolarHBondContact OD1-O 3.22Å; N176-N178 PolarHBondContact O-N 2.84Å; N176-N178 VanDerWaalsContact O-N 3.1Å; N176-N178 VanDerWaalsContact OD1-CB 3.27Å; N176-N178 WeakPolarHBondContact OD1-CB 3.26Å; N176-N178 PolarHBondContact OD1-N 3Å; N176-N178 PolarHBondContact OD1-ND2 3.22Å; N176-Y179 HydrophobicContact CB-CD2 3.98Å; N176-Y179 WeakPolarHBondContact ND2-CD2 3.37Å; N176-Y179 VanDerWaalsContact ND2-CE2 3.34Å; N176-Y179 WeakPolarHBondContact ND2-CE2 3.06Å; N176-Y179 PolarHBondContact O-N 3.28Å; N176-Y179 VanDerWaalsContact O-N 3.15Å | ||
| 177 | P | 70 | Confident | 79.1 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.3 | -176.7 | 26 | -35.4 | 0 | 0 | 0 | 113.5 | Y179 D529 | P177-Y179 VanDerWaalsContact C-N 3.28Å; P177-Y179 PolarHBondContact O-N 3.07Å; P177-D529 WeakPolarHBondContact CB-OD2 3.45Å; P177-D529 VanDerWaalsContact CG-OD2 3.32Å; P177-D529 WeakPolarHBondContact CG-OD2 3.35Å |
| 178 | N | 64.6 | Low | 79.6 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24 | 178.4 | -60.7 | -63 | 0 | 0 | 0 | 113 | T153 N176 | T153-N178 PolarHBondContact OG1-O 3.04Å; N176-N178 PolarHBondContact O-N 2.84Å; N176-N178 VanDerWaalsContact O-N 3.1Å; N176-N178 VanDerWaalsContact OD1-CB 3.27Å; N176-N178 WeakPolarHBondContact OD1-CB 3.26Å; N176-N178 PolarHBondContact OD1-N 3Å; N176-N178 PolarHBondContact OD1-ND2 3.22Å |
| 179 | Y | 67.4 | Low | 79.7 | Confident | 114 Ų | 114 | 56.3 Ų | 56.3 | 45% | 0.447 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -106.1 | 107.8 | 178.9 | -60.2 | -70.7 | 0 | 0 | 0 | 108.8 | N174 N176 P177 I181 | N174-Y179 PolarHBondContact ND2-O 2.97Å; N176-Y179 HydrophobicContact CB-CD2 3.98Å; N176-Y179 WeakPolarHBondContact ND2-CD2 3.37Å; N176-Y179 VanDerWaalsContact ND2-CE2 3.34Å; N176-Y179 WeakPolarHBondContact ND2-CE2 3.06Å; N176-Y179 PolarHBondContact O-N 3.28Å; N176-Y179 VanDerWaalsContact O-N 3.15Å; P177-Y179 VanDerWaalsContact C-N 3.28Å; P177-Y179 PolarHBondContact O-N 3.07Å; Y179-I181 PolarHBondContact O-N 3.23Å; Y179-I181 VanDerWaalsContact O-N 3.13Å |
| 180 | R | 76.4 | Confident | 78.9 | Confident | 159 Ų | 159 | 50.3 Ų | 50.3 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | trans | -81.5 | 93.3 | 171.1 | -68.9 | -174.3 | -176.8 | -119.7 | 2.5 | 108.2 | R152 T153 | R152-R180 HydrophobicContact CB-CB 4.06Å; R152-R180 HydrophobicContact CG-CB 4.48Å; R152-R180 PolarHBondContact N-O 3.08Å; T153-R180 PolarHBondContact OG1-N 2.8Å | ||
| 181 | I | 83.9 | Confident | 77.6 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.8 | -176.8 | -48.7 | 176.6 | 0 | 0 | 0 | 109.5 | T149 N151 Y179 | T149-I181 HydrophobicContact CG2-CG2 3.25Å; N151-I181 HydrophobicContact CB-CG1 4.4Å; Y179-I181 PolarHBondContact O-N 3.23Å; Y179-I181 VanDerWaalsContact O-N 3.13Å |
| 182 | D | 86.6 | Confident | 76.5 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.6 | 178.7 | -67.1 | -19.7 | 0 | 0 | 0 | 110.2 | F110 T149 F150 R152 Y184 | F110-D182 HydrophobicContact CE2-CB 3.77Å; T149-D182 CarbonylContact C-O 3.53Å; T149-D182 WeakPolarHBondContact CA-O 3.08Å; F150-D182 PolarHBondContact N-O 2.68Å; F150-D182 PolarHBondContact O-N 2.72Å; R152-D182 IonicContact CZ-OD1 3.84Å; R152-D182 IonicContact CZ-OD2 3.94Å; R152-D182 IonicContact NE-OD1 2.78Å; R152-D182 IonicContact NE-OD2 3.86Å; R152-D182 PolarHBondContact NE-OD2 2.45Å; R152-D182 IonicContact NH2-OD1 2.67Å; R152-D182 PolarHBondContact NH2-OD1 3.32Å; R152-D182 IonicContact NH2-OD2 2.72Å; R152-D182 PolarHBondContact NH2-OD2 3.11Å; D182-Y184 HydrophobicContact CB-CD2 4.3Å; D182-Y184 HydrophobicContact CB-CE2 3.29Å; D182-Y184 WeakPolarHBondContact CB-OH 3.08Å; D182-Y184 PolarHBondContact OD2-OH 2.83Å |
| 183 | Y | 92.2 | Very high | 75.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.5 | 176.1 | -176.6 | -115.3 | 0 | 0 | 0 | 112.3 | Y111 R114 V116 S147 T149 S163 R164 V171 E185 | Y111-Y183 AromaticContact CD2-CD1 3.88Å; Y111-Y183 HydrophobicContact CD2-CD1 3.88Å; Y111-Y183 HydrophobicContact CD2-CE1 4.19Å; Y111-Y183 HydrophobicContact CG-CD1 4.41Å; Y111-Y183 PolarHBondContact N-O 3.37Å; R114-Y183 HydrophobicContact CB-CD1 4.23Å; R114-Y183 HydrophobicContact CB-CG 4.21Å; R114-Y183 WeakPolarHBondContact O-CB 3.49Å; V116-Y183 HydrophobicContact CB-CE2 4.43Å; V116-Y183 HydrophobicContact CG2-CD2 4.36Å; V116-Y183 HydrophobicContact CG2-CE2 3.43Å; V116-Y183 VanDerWaalsContact CG2-CE2 3.43Å; S147-Y183 VanDerWaalsContact CB-CE2 3.43Å; S147-Y183 WeakPolarHBondContact CB-OH 3.23Å; S147-Y183 WeakPolarHBondContact OG-CE2 3.27Å; S147-Y183 PolarHBondContact OG-OH 3.37Å; T149-Y183 WeakPolarHBondContact OG1-CD2 3.26Å; S163-Y183 WeakPolarHBondContact CA-OH 3.12Å; R164-Y183 HydrophobicContact CG-CE1 4.03Å; V171-Y183 HydrophobicContact CG1-CD1 4Å; V171-Y183 HydrophobicContact CG1-CE1 3.73Å; V171-Y183 HydrophobicContact CG1-CG 4.49Å; V171-Y183 HydrophobicContact CG2-CE1 4.38Å; Y183-E185 HydrophobicContact CD1-CG 4.41Å; Y183-E185 HydrophobicContact CE1-CG 3.56Å; Y183-E185 WeakPolarHBondContact CE1-OE1 3.41Å; Y183-E185 PolarHBondContact OH-OE1 2.9Å |
| 184 | Y | 94.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.7 | -177.3 | -55.7 | -90.5 | 0 | 0 | 0 | 111 | V10 D109 F110 L130 L134 S147 A148 F150 D182 | V10-Y184 HydrophobicContact CG1-CD1 3.85Å; V10-Y184 HydrophobicContact CG1-CE1 3.91Å; V10-Y184 HydrophobicContact CG2-CD1 4.48Å; V10-Y184 HydrophobicContact CG2-CE1 4.49Å; D109-Y184 CarbonylContact O-C 3.59Å; D109-Y184 VanDerWaalsContact O-CA 3.23Å; D109-Y184 WeakPolarHBondContact O-CA 3.23Å; F110-Y184 HydrophobicContact CB-CD1 4.28Å; F110-Y184 HydrophobicContact CB-CE1 4.22Å; F110-Y184 AromaticContact CD2-CD1 4Å; F110-Y184 HydrophobicContact CD2-CD1 4Å; F110-Y184 AromaticContact CD2-CE1 3.47Å; F110-Y184 HydrophobicContact CD2-CE1 3.47Å; F110-Y184 VanDerWaalsContact CD2-CE1 3.47Å; F110-Y184 HydrophobicContact CD2-CE2 4.45Å; F110-Y184 AromaticContact CD2-CZ 3.71Å; F110-Y184 HydrophobicContact CE2-CE1 4.27Å; F110-Y184 HydrophobicContact CG-CE1 4.24Å; L130-Y184 HydrophobicContact CD1-CD2 4.04Å; L130-Y184 HydrophobicContact CD1-CE1 4.37Å; L130-Y184 HydrophobicContact CD1-CE2 3.24Å; L130-Y184 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y184 HydrophobicContact CD2-CE1 4.36Å; L130-Y184 HydrophobicContact CD2-CE2 4.35Å; L130-Y184 WeakPolarHBondContact CD2-OH 2.81Å; L130-Y184 HydrophobicContact CG-CE2 4.41Å; L134-Y184 HydrophobicContact CD2-CD1 4.05Å; L134-Y184 HydrophobicContact CD2-CD2 4.05Å; L134-Y184 HydrophobicContact CD2-CG 3.77Å; S147-Y184 CarbonylContact C-O 3.54Å; S147-Y184 WeakPolarHBondContact CA-O 2.99Å; S147-Y184 WeakPolarHBondContact CB-O 3.45Å; A148-Y184 PolarHBondContact N-O 2.8Å; A148-Y184 PolarHBondContact O-N 2.91Å; F150-Y184 HydrophobicContact CB-CE2 4.46Å; D182-Y184 HydrophobicContact CB-CD2 4.3Å; D182-Y184 HydrophobicContact CB-CE2 3.29Å; D182-Y184 WeakPolarHBondContact CB-OH 3.08Å; D182-Y184 PolarHBondContact OD2-OH 2.83Å |
| 185 | E | 90.2 | Very high | 75.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.7 | 172.4 | -66.4 | -168.6 | 163.4 | 0 | 0 | 110.5 | F108 D109 Y111 R164 Q165 Y183 N187 | F108-E185 CarbonylContact C-O 3.47Å; F108-E185 WeakPolarHBondContact CA-O 3.44Å; F108-E185 WeakPolarHBondContact CD1-O 3.39Å; D109-E185 HydrophobicContact CB-CB 4.49Å; D109-E185 PolarHBondContact N-O 2.88Å; D109-E185 PolarHBondContact O-N 3.12Å; Y111-E185 HydrophobicContact CD2-CG 4.15Å; Y111-E185 HydrophobicContact CE2-CB 4.24Å; Y111-E185 HydrophobicContact CE2-CG 3.74Å; R164-E185 WeakPolarHBondContact CA-OE1 3.34Å; R164-E185 WeakPolarHBondContact CB-OE1 3.37Å; R164-E185 VanDerWaalsContact CD-OE1 3.27Å; R164-E185 WeakPolarHBondContact CD-OE1 3.41Å; R164-E185 WeakPolarHBondContact CG-OE1 3.25Å; R164-E185 PolarHBondContact N-OE1 3.34Å; R164-E185 IonicContact NE-OE1 3.66Å; Q165-E185 PolarHBondContact NE2-OE2 2.67Å; Q165-E185 PolarHBondContact OE1-OE2 3.02Å; Y183-E185 HydrophobicContact CD1-CG 4.41Å; Y183-E185 HydrophobicContact CE1-CG 3.56Å; Y183-E185 WeakPolarHBondContact CE1-OE1 3.41Å; Y183-E185 PolarHBondContact OH-OE1 2.9Å; E185-N187 PolarHBondContact O-N 2.89Å |
| 186 | N | 91.2 | Very high | 76.5 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 106 | -174.3 | -174.4 | -3.8 | 0 | 0 | 0 | 111.2 | F108 C145 R146 C188 | F108-N186 HydrophobicContact CD1-CB 4.12Å; F108-N186 HydrophobicContact CE1-CB 3.68Å; F108-N186 HydrophobicContact CZ-CB 4.42Å; C145-N186 WeakPolarHBondContact O-CB 3.43Å; C145-N186 PolarHBondContact O-ND2 2.05Å; R146-N186 PolarHBondContact O-N 2.78Å; N186-C188 VanDerWaalsContact C-N 3.3Å; N186-C188 PolarHBondContact O-N 2.86Å; N186-C188 VanDerWaalsContact OD1-CB 3.24Å; N186-C188 WeakPolarHBondContact OD1-CB 3.47Å; N186-C188 PolarHBondContact OD1-N 3.04Å |
| 187 | N | 85.1 | Confident | 77.5 | Confident | 46 Ų | 46 | 44 Ų | 44 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.5 | -179.9 | -66.7 | -20.9 | 0 | 0 | 0 | 113.2 | H106 Q107 D109 E185 Q189 | H106-N187 PolarHBondContact CD2-ND2 2.91Å; H106-N187 PolarHBondContact NE2-ND2 2.83Å; Q107-N187 PolarHBondContact O-N 3.38Å; D109-N187 PolarHBondContact OD2-ND2 2.82Å; E185-N187 PolarHBondContact O-N 2.89Å; N187-Q189 PolarHBondContact O-N 3.41Å |
| 188 | C | 84.6 | Confident | 78.5 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.9 | 172 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | C102 Q107 L138 N186 N190 | C102-C188 HydrophobicContact CB-CB 3.5Å; C102-C188 WeakPolarHBondContact CB-SG 3.41Å; C102-C188 PolarHBondContact N-SG 3Å; C102-C188 WeakPolarHBondContact SG-CA 3.43Å; C102-C188 WeakPolarHBondContact SG-CB 3.23Å; C102-C188 CovalentContact SG-SG 2.04Å; C102-C188 PolarHBondContact SG-SG 3.39Å; Q107-C188 VanDerWaalsContact CG-SG 3.59Å; L138-C188 HydrophobicContact CD2-CB 4.09Å; N186-C188 VanDerWaalsContact C-N 3.3Å; N186-C188 PolarHBondContact O-N 2.86Å; N186-C188 VanDerWaalsContact OD1-CB 3.24Å; N186-C188 WeakPolarHBondContact OD1-CB 3.47Å; N186-C188 PolarHBondContact OD1-N 3.04Å; C188-N190 PolarHBondContact O-N 3.27Å; C188-N190 VanDerWaalsContact O-N 3.16Å |
| 189 | Q | 69.9 | Low | 79.9 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -86.9 | 83.7 | 172.3 | -53.9 | -55 | -25.3 | 0 | 0 | 108.3 | T144 C145 N187 S191 | T144-Q189 HydrophobicContact CG2-CB 3.96Å; T144-Q189 HydrophobicContact CG2-CG 3.59Å; C145-Q189 WeakPolarHBondContact O-CG 3.32Å; N187-Q189 PolarHBondContact O-N 3.41Å; Q189-S191 PolarHBondContact O-N 2.89Å |
| 190 | N | 54.8 | Low | 81 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | trans | -46.6 | 95.4 | -175.1 | -172 | 14.2 | 0 | 0 | 0 | 112.2 | C188 S192 F212 | C188-N190 PolarHBondContact O-N 3.27Å; C188-N190 VanDerWaalsContact O-N 3.16Å; N190-S192 PolarHBondContact O-N 3.47Å; N190-S192 WeakPolarHBondContact OD1-CB 3.38Å; N190-S192 PolarHBondContact OD1-N 3.22Å; N190-F212 VanDerWaalsContact O-CE2 3.31Å; N190-F212 WeakPolarHBondContact O-CE2 3.41Å | ||
| 191 | S | 53.5 | Low | 81.5 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | trans | -74.4 | 55.4 | 169.5 | 51.9 | 0 | 0 | 0 | 0 | 110 | Q189 V193 | Q189-S191 PolarHBondContact O-N 2.89Å; S191-V193 PolarHBondContact O-N 2.83Å | ||
| 192 | S | 58.3 | Low | 81.7 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | trans | -74.8 | 95.6 | 175.3 | 63.9 | 0 | 0 | 0 | 0 | 108.3 | N190 K211 | N190-S192 PolarHBondContact O-N 3.47Å; N190-S192 WeakPolarHBondContact OD1-CB 3.38Å; N190-S192 PolarHBondContact OD1-N 3.22Å; S192-K211 WeakPolarHBondContact OG-CD 3.44Å; S192-K211 WeakPolarHBondContact OG-CE 3.47Å | ||
| 193 | V | 68.2 | Low | 81.9 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.4 | 154.7 | -173.6 | 0 | 0 | 0 | 0 | 106.4 | S191 V195 A208 E209 Y214 F237 V267 | S191-V193 PolarHBondContact O-N 2.83Å; V193-V195 HydrophobicContact CG1-CG2 4.23Å; V193-A208 HydrophobicContact CG1-CB 3.72Å; V193-E209 CarbonylContact C-O 3.47Å; V193-Y214 HydrophobicContact CG2-CD2 3.82Å; V193-Y214 HydrophobicContact CG2-CE2 4.12Å; V193-F237 HydrophobicContact CG1-CE1 4.49Å; V193-F237 HydrophobicContact CG1-CZ 4.02Å; V193-V267 HydrophobicContact CB-CG1 4.48Å; V193-V267 HydrophobicContact CG1-CG1 4.17Å |
| 194 | Q | 76.6 | Confident | 81.9 | Confident | 74 Ų | 74 | 38.6 Ų | 38.6 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.3 | 172.2 | -66.3 | -170.5 | -21.8 | 0 | 0 | 108.3 | A208 E209 | Q194-A208 CarbonylContact O-C 3.58Å; Q194-A208 WeakPolarHBondContact O-CA 3.48Å; Q194-E209 PolarHBondContact N-O 3.3Å; Q194-E209 PolarHBondContact O-N 2.82Å |
| 195 | V | 80.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.6 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | V193 V206 V207 A208 V267 L304 Y306 | V193-V195 HydrophobicContact CG1-CG2 4.23Å; V195-V206 HydrophobicContact CG1-CG1 3.53Å; V195-V207 CarbonylContact C-O 3.51Å; V195-V207 WeakPolarHBondContact CA-O 3.39Å; V195-A208 HydrophobicContact CG2-CB 4.19Å; V195-V267 HydrophobicContact CG2-CG2 3.77Å; V195-L304 HydrophobicContact CB-CD2 4.5Å; V195-L304 HydrophobicContact CG2-CD2 3.51Å; V195-Y306 HydrophobicContact CB-CD1 4.33Å; V195-Y306 HydrophobicContact CB-CD2 3.87Å; V195-Y306 HydrophobicContact CB-CE2 4.3Å; V195-Y306 HydrophobicContact CB-CG 3.86Å; V195-Y306 HydrophobicContact CG1-CD1 3.5Å; V195-Y306 VanDerWaalsContact CG1-CD1 3.5Å; V195-Y306 HydrophobicContact CG1-CD2 3.96Å; V195-Y306 HydrophobicContact CG1-CE1 3.91Å; V195-Y306 HydrophobicContact CG1-CE2 4.36Å; V195-Y306 HydrophobicContact CG1-CG 3.49Å; V195-Y306 VanDerWaalsContact CG1-CG 3.49Å; V195-Y306 WeakPolarHBondContact O-CE2 3.26Å |
| 196 | S | 86.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 166.3 | 177.8 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | V206 V207 Y306 S322 | S196-V206 WeakPolarHBondContact O-CA 3.4Å; S196-V207 PolarHBondContact N-O 2.62Å; S196-V207 PolarHBondContact O-N 2.97Å; S196-V207 PolarHBondContact OG-O 2.83Å; S196-Y306 WeakPolarHBondContact CA-OH 3.39Å; S196-S322 WeakPolarHBondContact CB-OG 3.24Å |
| 197 | H | 91.6 | Very high | 82 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157.5 | 175.8 | 68.9 | -92.2 | 0 | 0 | 0 | 113 | I204 F205 V206 Y306 A308 R309 | H197-I204 HydrophobicContact CB-CG2 4.01Å; H197-F205 CarbonylContact C-O 3.57Å; H197-F205 WeakPolarHBondContact CA-O 3.23Å; H197-V206 HydrophobicContact CB-CG2 4.17Å; H197-Y306 HydrophobicContact CB-CE1 4.05Å; H197-Y306 PolarHBondContact N-OH 3.07Å; H197-Y306 AromaticContact ND1-CE1 3.6Å; H197-Y306 AromaticContact ND1-CZ 3.53Å; H197-Y306 PolarHBondContact ND1-OH 3.07Å; H197-A308 HydrophobicContact CB-CB 3.78Å; H197-A308 VanDerWaalsContact CG-CB 3.45Å; H197-A308 WeakPolarHBondContact ND1-CB 3.02Å; H197-R309 PolarHBondContact NE2-O 3.24Å |
| 198 | N | 92.5 | Very high | 82 | Confident | 90 Ų | 90 | 39 Ų | 39 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.3 | 172.5 | -175.8 | 15.5 | 0 | 0 | 0 | 110.2 | F205 | N198-F205 HydrophobicContact CB-CB 4.44Å; N198-F205 PolarHBondContact N-O 3.24Å; N198-F205 PolarHBondContact O-N 2.85Å |
| 199 | C | 92.8 | Very high | 82 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.1 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | C310 L317 | C199-C310 WeakPolarHBondContact CA-SG 3.47Å; C199-C310 HydrophobicContact CB-CB 3.71Å; C199-C310 WeakPolarHBondContact CB-SG 3.26Å; C199-C310 WeakPolarHBondContact SG-CA 3.04Å; C199-C310 WeakPolarHBondContact SG-CB 3.34Å; C199-C310 CovalentContact SG-SG 2.03Å; C199-C310 PolarHBondContact SG-SG 2.82Å; C199-L317 WeakPolarHBondContact O-CD2 3.19Å |
| 200 | Q | 90.1 | Very high | 82.2 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | trans | -105.6 | 174.8 | 177.7 | -61.9 | -174.7 | -9 | 0 | 0 | 111.1 | G203 F240 F243 | Q200-G203 CarbonylContact C-O 3.57Å; Q200-G203 WeakPolarHBondContact CA-O 3.04Å; Q200-G203 WeakPolarHBondContact CB-O 3.45Å; Q200-G203 PolarHBondContact N-O 3.09Å; Q200-F240 HydrophobicContact CB-CE2 4.37Å; Q200-F243 WeakPolarHBondContact O-CE2 3.49Å | ||
| 201 | E | 86.8 | Confident | 82.8 | Confident | 158 Ų | 158 | 43 Ų | 43 | 74% | 0.738 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -66.2 | -37.6 | 179.1 | -76.2 | 178.9 | -174 | 0 | 0 | 113 | R313 | E201-R313 IonicContact OE1-CZ 3.81Å; E201-R313 IonicContact OE1-NH1 2.81Å; E201-R313 PolarHBondContact OE1-NH1 3.26Å |
| 202 | A | 89.2 | Confident | 83.4 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -96.5 | -7.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F240 P242 F243 A246 | A202-F240 HydrophobicContact CB-CZ 3.97Å; A202-P242 CarbonylContact O-C 3.57Å; A202-P242 WeakPolarHBondContact O-CA 3.49Å; A202-F243 VanDerWaalsContact C-CD2 3.45Å; A202-F243 PolarHBondContact O-N 3.19Å; A202-A246 HydrophobicContact CB-CB 4.44Å |
| 203 | G | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -165.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q200 F241 F243 | Q200-G203 CarbonylContact C-O 3.57Å; Q200-G203 WeakPolarHBondContact CA-O 3.04Å; Q200-G203 WeakPolarHBondContact CB-O 3.45Å; Q200-G203 PolarHBondContact N-O 3.09Å; G203-F241 CarbonylContact C-O 3.47Å; G203-F241 WeakPolarHBondContact CA-O 3.14Å; G203-F243 VanDerWaalsContact N-CD2 3.28Å; G203-F243 VanDerWaalsContact N-CE2 3.32Å |
| 204 | I | 92.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127 | -177.5 | -50.5 | -175.8 | 0 | 0 | 0 | 109.1 | H197 V206 F241 F243 L263 A308 C310 | H197-I204 HydrophobicContact CB-CG2 4.01Å; I204-V206 HydrophobicContact CG2-CG2 4.19Å; I204-F241 PolarHBondContact N-O 3Å; I204-F241 PolarHBondContact O-N 2.79Å; I204-F243 HydrophobicContact CD1-CE1 3.99Å; I204-F243 HydrophobicContact CG1-CD1 4.39Å; I204-F243 HydrophobicContact CG1-CE1 3.52Å; I204-F243 HydrophobicContact CG1-CZ 4.04Å; I204-L263 HydrophobicContact CB-CD2 3.96Å; I204-L263 HydrophobicContact CD1-CB 3.79Å; I204-L263 HydrophobicContact CD1-CD2 4.35Å; I204-L263 HydrophobicContact CG2-CD2 3.98Å; I204-A308 HydrophobicContact CG2-CB 3.85Å; I204-C310 HydrophobicContact CD1-CB 3.98Å; I204-C310 HydrophobicContact CG1-CB 4.17Å |
| 205 | F | 93.4 | Very high | 83.8 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.4 | 177.5 | -155.2 | -86.9 | 0 | 0 | 0 | 109.5 | H197 N198 V207 Q238 F240 | H197-F205 CarbonylContact C-O 3.57Å; H197-F205 WeakPolarHBondContact CA-O 3.23Å; N198-F205 HydrophobicContact CB-CB 4.44Å; N198-F205 PolarHBondContact N-O 3.24Å; N198-F205 PolarHBondContact O-N 2.85Å; F205-V207 HydrophobicContact CD1-CG2 3.89Å; F205-V207 HydrophobicContact CE1-CG2 4.11Å; F205-Q238 HydrophobicContact CD1-CB 4.33Å; F205-Q238 HydrophobicContact CE1-CB 3.45Å; F205-Q238 VanDerWaalsContact CE1-CB 3.45Å; F205-Q238 HydrophobicContact CE1-CG 3.5Å; F205-Q238 HydrophobicContact CZ-CB 3.97Å; F205-Q238 VanDerWaalsContact CZ-CD 3.44Å; F205-Q238 HydrophobicContact CZ-CG 3.58Å; F205-Q238 VanDerWaalsContact CZ-NE2 3.27Å; F205-F240 HydrophobicContact CB-CD2 4.23Å; F205-F240 HydrophobicContact CD2-CB 3.66Å; F205-F240 AromaticContact CD2-CD2 3.7Å; F205-F240 HydrophobicContact CD2-CD2 3.7Å; F205-F240 HydrophobicContact CD2-CG 4.09Å; F205-F240 HydrophobicContact CE2-CB 3.86Å; F205-F240 HydrophobicContact CG-CD2 4.44Å |
| 206 | V | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.9 | -177.8 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | V195 S196 H197 I204 M218 Q238 M239 F241 L263 V265 Y306 | V195-V206 HydrophobicContact CG1-CG1 3.53Å; S196-V206 WeakPolarHBondContact O-CA 3.4Å; H197-V206 HydrophobicContact CB-CG2 4.17Å; I204-V206 HydrophobicContact CG2-CG2 4.19Å; V206-M218 HydrophobicContact CG1-SD 4.22Å; V206-Q238 CarbonylContact O-C 3.52Å; V206-Q238 WeakPolarHBondContact O-CA 3.34Å; V206-Q238 WeakPolarHBondContact O-CB 3.31Å; V206-M239 PolarHBondContact N-O 3.47Å; V206-M239 PolarHBondContact O-N 3.24Å; V206-F241 HydrophobicContact CB-CE2 4.17Å; V206-F241 HydrophobicContact CG2-CD2 4.07Å; V206-F241 HydrophobicContact CG2-CE2 3.99Å; V206-L263 HydrophobicContact CG2-CD2 3.77Å; V206-V265 HydrophobicContact CB-CG2 4.42Å; V206-V265 HydrophobicContact CG1-CG1 4.29Å; V206-V265 HydrophobicContact CG1-CG2 4.32Å; V206-V265 HydrophobicContact CG2-CG2 3.86Å; V206-Y306 HydrophobicContact CG1-CD1 4.32Å |
| 207 | V | 91.5 | Very high | 83 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.7 | -176 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V195 S196 F205 E209 K236 Q238 | V195-V207 CarbonylContact C-O 3.51Å; V195-V207 WeakPolarHBondContact CA-O 3.39Å; S196-V207 PolarHBondContact N-O 2.62Å; S196-V207 PolarHBondContact O-N 2.97Å; S196-V207 PolarHBondContact OG-O 2.83Å; F205-V207 HydrophobicContact CD1-CG2 3.89Å; F205-V207 HydrophobicContact CE1-CG2 4.11Å; V207-E209 HydrophobicContact CG1-CG 4.11Å; V207-K236 HydrophobicContact CG1-CD 4.49Å; V207-K236 HydrophobicContact CG1-CG 4.31Å; V207-Q238 HydrophobicContact CG2-CB 4.09Å |
| 208 | A | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V193 Q194 V195 M218 K236 F237 | V193-A208 HydrophobicContact CG1-CB 3.72Å; Q194-A208 CarbonylContact O-C 3.58Å; Q194-A208 WeakPolarHBondContact O-CA 3.48Å; V195-A208 HydrophobicContact CG2-CB 4.19Å; A208-M218 HydrophobicContact CB-SD 4.02Å; A208-K236 WeakPolarHBondContact O-CA 3.46Å; A208-F237 HydrophobicContact CB-CD1 4.42Å; A208-F237 HydrophobicContact CB-CD2 3.65Å; A208-F237 HydrophobicContact CB-CE1 4Å; A208-F237 HydrophobicContact CB-CE2 3.19Å; A208-F237 HydrophobicContact CB-CG 4.26Å; A208-F237 HydrophobicContact CB-CZ 3.39Å; A208-F237 PolarHBondContact N-O 2.87Å; A208-F237 PolarHBondContact O-N 3.44Å |
| 209 | E | 83.9 | Confident | 82.3 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 38% | 0.379 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.6 | 179.8 | -63.7 | -171.5 | 169.2 | 0 | 0 | 109.1 | V193 Q194 V207 K236 | V193-E209 CarbonylContact C-O 3.47Å; Q194-E209 PolarHBondContact N-O 3.3Å; Q194-E209 PolarHBondContact O-N 2.82Å; V207-E209 HydrophobicContact CG1-CG 4.11Å; E209-K236 HydrophobicContact CG-CB 4.5Å; E209-K236 HydrophobicContact CG-CD 4.08Å; E209-K236 HydrophobicContact CG-CG 4.07Å; E209-K236 WeakPolarHBondContact OE1-CE 3.45Å; E209-K236 IonicContact OE1-NZ 3.94Å; E209-K236 PolarHBondContact OE1-NZ 3.37Å |
| 210 | S | 75.5 | Confident | 81.9 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | F212 L235 | S210-F212 WeakPolarHBondContact CB-O 3.19Å; S210-F212 PolarHBondContact O-N 3.41Å; S210-F212 PolarHBondContact OG-N 3.34Å; S210-F212 PolarHBondContact OG-O 3.13Å; S210-L235 PolarHBondContact N-O 2.76Å |
| 211 | K | 66.6 | Low | 81.3 | Confident | 131 Ų | 131 | 31.9 Ų | 31.9 | 57% | 0.57 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -15.9 | 170.5 | -67.3 | -174.2 | 179.1 | 178.8 | 0 | 113.3 | S192 | S192-K211 WeakPolarHBondContact OG-CD 3.44Å; S192-K211 WeakPolarHBondContact OG-CE 3.47Å |
| 212 | F | 65.8 | Low | 80.8 | Confident | 53 Ų | 53 | 27.6 Ų | 27.6 | 23% | 0.232 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.5 | -175 | -56.1 | -70.2 | 0 | 0 | 0 | 110.8 | R146 N190 S210 Y214 | R146-F212 VanDerWaalsContact NH1-CG 3.29Å; N190-F212 VanDerWaalsContact O-CE2 3.31Å; N190-F212 WeakPolarHBondContact O-CE2 3.41Å; S210-F212 WeakPolarHBondContact CB-O 3.19Å; S210-F212 PolarHBondContact O-N 3.41Å; S210-F212 PolarHBondContact OG-N 3.34Å; S210-F212 PolarHBondContact OG-O 3.13Å; F212-Y214 PolarHBondContact O-N 3.4Å |
| 213 | P | 72.6 | Confident | 79.9 | Confident | 60 Ų | 60 | 25.4 Ų | 25.4 | 39% | 0.39 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 114.4 | 174.9 | -28.6 | 36.8 | 0 | 0 | 0 | 110.3 | D233 L235 | P213-D233 HydrophobicContact CB-CB 3.89Å; P213-L235 HydrophobicContact CG-CD2 4.23Å |
| 214 | Y | 70.8 | Confident | 78.8 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.6 | -176.2 | 173.5 | -91.1 | 0 | 0 | 0 | 109.2 | V193 F212 A217 P231 D233 E234 F237 V267 S268 L269 | V193-Y214 HydrophobicContact CG2-CD2 3.82Å; V193-Y214 HydrophobicContact CG2-CE2 4.12Å; F212-Y214 PolarHBondContact O-N 3.4Å; Y214-A217 PolarHBondContact OH-N 3Å; Y214-A217 PolarHBondContact OH-O 3.49Å; Y214-P231 HydrophobicContact CD1-CB 4.13Å; Y214-P231 HydrophobicContact CD1-CG 3.33Å; Y214-P231 HydrophobicContact CE1-CG 3.35Å; Y214-D233 PolarHBondContact O-N 3.18Å; Y214-D233 VanDerWaalsContact O-N 3.07Å; Y214-E234 WeakPolarHBondContact CB-O 3.44Å; Y214-E234 PolarHBondContact N-O 3.33Å; Y214-E234 PolarHBondContact O-N 3.34Å; Y214-F237 AromaticContact CD1-CD1 3.92Å; Y214-F237 HydrophobicContact CD1-CD1 3.92Å; Y214-F237 AromaticContact CD1-CE1 3.15Å; Y214-F237 HydrophobicContact CD1-CE1 3.15Å; Y214-F237 HydrophobicContact CD1-CE2 4.26Å; Y214-F237 AromaticContact CD1-CZ 3.34Å; Y214-F237 HydrophobicContact CD1-CZ 3.34Å; Y214-F237 HydrophobicContact CD2-CE1 4.49Å; Y214-F237 HydrophobicContact CD2-CZ 4.48Å; Y214-F237 AromaticContact CE1-CE1 3.7Å; Y214-F237 HydrophobicContact CE1-CE1 3.7Å; Y214-F237 AromaticContact CE1-CE2 3.97Å; Y214-F237 HydrophobicContact CE1-CE2 3.97Å; Y214-F237 AromaticContact CE1-CZ 3.34Å; Y214-F237 HydrophobicContact CE1-CZ 3.34Å; Y214-F237 HydrophobicContact CE2-CZ 4.49Å; Y214-F237 AromaticContact CG-CE1 3.6Å; Y214-F237 HydrophobicContact CG-CE1 3.6Å; Y214-F237 AromaticContact CG-CZ 3.93Å; Y214-F237 HydrophobicContact CG-CZ 3.93Å; Y214-F237 AromaticContact CZ-CZ 3.95Å; Y214-V267 HydrophobicContact CE1-CG1 4.45Å; Y214-V267 HydrophobicContact CE2-CG1 4.01Å; Y214-V267 WeakPolarHBondContact OH-CG1 3.28Å; Y214-S268 PolarHBondContact OH-N 2.9Å; Y214-S268 PolarHBondContact OH-O 3.46Å; Y214-L269 HydrophobicContact CE2-CD2 4.34Å |
| 215 | T | 68.8 | Low | 77.6 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 17% | 0.172 | 15% | 0.149 | C | C | . | . | trans | -124.6 | 129.7 | 171.3 | -62.7 | 0 | 0 | 0 | 0 | 106.9 | T166 P231 D233 | T166-T215 WeakPolarHBondContact O-CB 3.49Å; T215-P231 WeakPolarHBondContact CA-O 3.32Å; T215-D233 PolarHBondContact OG1-N 3.27Å; T215-D233 PolarHBondContact OG1-OD1 2.84Å | ||
| 216 | G | 72.9 | Confident | 76.4 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 163.2 | -147.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E230 P231 | G216-E230 VanDerWaalsContact O-CA 3.28Å; G216-E230 WeakPolarHBondContact O-CA 3.04Å; G216-P231 PolarHBondContact N-O 3.39Å |
| 217 | A | 77.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -133 | 153.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y214 Y219 I229 S268 G271 V272 | Y214-A217 PolarHBondContact OH-N 3Å; Y214-A217 PolarHBondContact OH-O 3.49Å; A217-Y219 HydrophobicContact CB-CD1 3.96Å; A217-Y219 HydrophobicContact CB-CE1 4.43Å; A217-I229 CarbonylContact C-O 3.56Å; A217-I229 VanDerWaalsContact CA-O 3.23Å; A217-I229 WeakPolarHBondContact CA-O 3.26Å; A217-S268 PolarHBondContact O-N 2.83Å; A217-G271 PolarHBondContact N-O 2.81Å; A217-V272 HydrophobicContact CB-CB 4.31Å; A217-V272 HydrophobicContact CB-CG1 4.1Å; A217-V272 HydrophobicContact CB-CG2 4.05Å | ||
| 218 | M | 84.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.6 | 159.7 | -177.5 | 174.7 | 83.3 | 0 | 0 | 108.6 | V206 A208 R228 I229 F237 M239 V265 V266 V267 | V206-M218 HydrophobicContact CG1-SD 4.22Å; A208-M218 HydrophobicContact CB-SD 4.02Å; M218-R228 CarbonylContact O-C 3.59Å; M218-R228 VanDerWaalsContact O-CA 3.23Å; M218-R228 WeakPolarHBondContact O-CA 2.91Å; M218-I229 HydrophobicContact CB-CD1 4.35Å; M218-I229 HydrophobicContact CB-CG1 3.83Å; M218-I229 HydrophobicContact CE-CD1 3.67Å; M218-I229 HydrophobicContact CE-CG1 4.18Å; M218-I229 PolarHBondContact N-O 2.68Å; M218-I229 PolarHBondContact O-N 2.89Å; M218-F237 HydrophobicContact CB-CD2 4.04Å; M218-F237 HydrophobicContact CB-CE2 3.78Å; M218-F237 HydrophobicContact CE-CD2 4.3Å; M218-F237 HydrophobicContact CG-CE2 4.36Å; M218-F237 HydrophobicContact SD-CD2 3.91Å; M218-F237 HydrophobicContact SD-CE2 3.83Å; M218-M239 HydrophobicContact CE-CB 3.38Å; M218-V265 HydrophobicContact CG-CG1 3.58Å; M218-V265 HydrophobicContact SD-CG1 4.19Å; M218-V266 CarbonylContact C-O 3.55Å; M218-V266 VanDerWaalsContact CA-O 3.23Å; M218-V266 WeakPolarHBondContact CA-O 3.16Å; M218-V267 HydrophobicContact CB-CG2 4.4Å; M218-V267 HydrophobicContact CG-CG2 3.92Å; M218-V267 HydrophobicContact SD-CG2 4.11Å |
| 219 | Y | 85.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.1 | -172.1 | 60 | -94.2 | 0 | 0 | 0 | 112.7 | A217 F224 C227 V265 V266 K273 L275 D303 | A217-Y219 HydrophobicContact CB-CD1 3.96Å; A217-Y219 HydrophobicContact CB-CE1 4.43Å; Y219-F224 AromaticContact CD1-CD2 3.62Å; Y219-F224 HydrophobicContact CD1-CD2 3.62Å; Y219-F224 AromaticContact CD1-CE2 3.84Å; Y219-F224 HydrophobicContact CD1-CE2 3.84Å; Y219-F224 HydrophobicContact CD2-CB 4.05Å; Y219-F224 AromaticContact CD2-CD2 3.55Å; Y219-F224 HydrophobicContact CD2-CD2 3.55Å; Y219-F224 HydrophobicContact CD2-CG 4.29Å; Y219-F224 AromaticContact CE1-CD2 3.79Å; Y219-F224 HydrophobicContact CE1-CD2 3.79Å; Y219-F224 AromaticContact CE1-CE2 3.87Å; Y219-F224 HydrophobicContact CE1-CE2 3.87Å; Y219-F224 HydrophobicContact CE2-CB 4.45Å; Y219-F224 AromaticContact CE2-CD2 3.72Å; Y219-F224 HydrophobicContact CE2-CD2 3.72Å; Y219-F224 AromaticContact CG-CD2 3.49Å; Y219-F224 HydrophobicContact CG-CD2 3.49Å; Y219-F224 VanDerWaalsContact CG-CD2 3.49Å; Y219-F224 HydrophobicContact CG-CE2 4.17Å; Y219-F224 HydrophobicContact CG-CG 4.42Å; Y219-F224 AromaticContact CZ-CD2 3.83Å; Y219-C227 VanDerWaalsContact CA-O 3.24Å; Y219-C227 WeakPolarHBondContact CA-O 3.37Å; Y219-C227 WeakPolarHBondContact CB-O 3.34Å; Y219-V265 CarbonylContact O-C 3.37Å; Y219-V265 WeakPolarHBondContact O-CA 3.25Å; Y219-V265 WeakPolarHBondContact O-CG1 3.3Å; Y219-V266 HydrophobicContact CD1-CB 4.22Å; Y219-V266 HydrophobicContact CD2-CB 3.87Å; Y219-V266 HydrophobicContact CD2-CG2 4.1Å; Y219-V266 HydrophobicContact CE1-CB 3.89Å; Y219-V266 HydrophobicContact CE1-CG1 3.79Å; Y219-V266 HydrophobicContact CE2-CB 3.51Å; Y219-V266 HydrophobicContact CE2-CG1 3.97Å; Y219-V266 HydrophobicContact CE2-CG2 3.61Å; Y219-V266 HydrophobicContact CG-CB 4.23Å; Y219-V266 VanDerWaalsContact CZ-CG1 3.46Å; Y219-V266 PolarHBondContact N-O 3.45Å; Y219-V266 PolarHBondContact O-N 3.17Å; Y219-V266 WeakPolarHBondContact OH-CG1 3.22Å; Y219-K273 PolarHBondContact OH-O 2.83Å; Y219-L275 PolarHBondContact OH-N 3.39Å; Y219-L275 VanDerWaalsContact OH-N 3.09Å; Y219-D303 PolarHBondContact OH-OD2 2.89Å |
| 220 | G | 83.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y222 D223 F224 C227 F241 S253 | G220-Y222 PolarHBondContact O-N 2.91Å; G220-D223 CarbonylContact O-C 3.57Å; G220-D223 PolarHBondContact O-N 2.8Å; G220-F224 PolarHBondContact O-N 2.85Å; G220-C227 PolarHBondContact N-O 3.09Å; G220-F241 VanDerWaalsContact CA-CE1 3.5Å; G220-S253 VanDerWaalsContact CA-OG 3.31Å; G220-S253 WeakPolarHBondContact CA-OG 3.46Å |
| 221 | L | 79.2 | Confident | 75.9 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -33.8 | -173.5 | -176.6 | 62.7 | 0 | 0 | 0 | 113.4 | S253 D264 V266 L275 V278 | L221-S253 PolarHBondContact N-OG 3.33Å; L221-D264 HydrophobicContact CB-CB 3.88Å; L221-D264 HydrophobicContact CD2-CB 3.89Å; L221-D264 PolarHBondContact N-O 3.07Å; L221-V266 HydrophobicContact CB-CG2 4.09Å; L221-V266 HydrophobicContact CD1-CG2 3.49Å; L221-V266 VanDerWaalsContact CD1-CG2 3.49Å; L221-V266 HydrophobicContact CG-CG2 4.41Å; L221-L275 HydrophobicContact CD1-CB 4.29Å; L221-L275 HydrophobicContact CD1-CD1 3.91Å; L221-V278 HydrophobicContact CD1-CG2 3.95Å; L221-V278 HydrophobicContact CD2-CG2 4.35Å; L221-V278 HydrophobicContact CG-CG2 4.39Å |
| 222 | Y | 74.4 | Confident | 76.5 | Confident | 68 Ų | 68 | 38.8 Ų | 38.8 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -8.2 | 178.9 | -58.2 | -65.4 | 0 | 0 | 0 | 113.6 | G220 S253 R283 | G220-Y222 PolarHBondContact O-N 2.91Å; Y222-S253 PolarHBondContact N-OG 3.06Å; Y222-R283 PolarHBondContact OH-NE 3.41Å; Y222-R283 PolarHBondContact OH-NH2 2.87Å |
| 223 | D | 70.4 | Confident | 77 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | trans | -110.8 | 34.9 | -178.3 | -70.5 | -77.4 | 0 | 0 | 0 | 112.9 | G220 F225 T226 C227 E252 S253 | G220-D223 CarbonylContact O-C 3.57Å; G220-D223 PolarHBondContact O-N 2.8Å; D223-F225 VanDerWaalsContact C-N 3.32Å; D223-F225 PolarHBondContact O-N 3.02Å; D223-T226 PolarHBondContact O-N 3.04Å; D223-T226 PolarHBondContact O-OG1 2.95Å; D223-T226 PolarHBondContact OD1-OG1 2.83Å; D223-C227 HydrophobicContact CB-CB 3.49Å; D223-C227 VanDerWaalsContact CB-CB 3.49Å; D223-C227 CarbonylContact O-C 3.49Å; D223-C227 VanDerWaalsContact O-CA 3.3Å; D223-C227 WeakPolarHBondContact O-CA 3.17Å; D223-C227 WeakPolarHBondContact O-CB 3.49Å; D223-C227 PolarHBondContact O-N 2.84Å; D223-E252 WeakPolarHBondContact OD1-CB 3.39Å; D223-E252 PolarHBondContact OD1-N 3.21Å; D223-E252 WeakPolarHBondContact OD2-CA 3.24Å; D223-E252 PolarHBondContact OD2-N 3.23Å; D223-S253 PolarHBondContact N-OG 3.25Å; D223-S253 WeakPolarHBondContact OD2-CB 3.37Å; D223-S253 PolarHBondContact OD2-N 3.41Å; D223-S253 PolarHBondContact OD2-OG 2.78Å | ||
| 224 | F | 69.1 | Low | 77.5 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -44.5 | -173.8 | 176.8 | -88 | 0 | 0 | 0 | 113.8 | Y219 G220 R228 V272 P274 | Y219-F224 AromaticContact CD1-CD2 3.62Å; Y219-F224 HydrophobicContact CD1-CD2 3.62Å; Y219-F224 AromaticContact CD1-CE2 3.84Å; Y219-F224 HydrophobicContact CD1-CE2 3.84Å; Y219-F224 HydrophobicContact CD2-CB 4.05Å; Y219-F224 AromaticContact CD2-CD2 3.55Å; Y219-F224 HydrophobicContact CD2-CD2 3.55Å; Y219-F224 HydrophobicContact CD2-CG 4.29Å; Y219-F224 AromaticContact CE1-CD2 3.79Å; Y219-F224 HydrophobicContact CE1-CD2 3.79Å; Y219-F224 AromaticContact CE1-CE2 3.87Å; Y219-F224 HydrophobicContact CE1-CE2 3.87Å; Y219-F224 HydrophobicContact CE2-CB 4.45Å; Y219-F224 AromaticContact CE2-CD2 3.72Å; Y219-F224 HydrophobicContact CE2-CD2 3.72Å; Y219-F224 AromaticContact CG-CD2 3.49Å; Y219-F224 HydrophobicContact CG-CD2 3.49Å; Y219-F224 VanDerWaalsContact CG-CD2 3.49Å; Y219-F224 HydrophobicContact CG-CE2 4.17Å; Y219-F224 HydrophobicContact CG-CG 4.42Å; Y219-F224 AromaticContact CZ-CD2 3.83Å; G220-F224 PolarHBondContact O-N 2.85Å; F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 WeakPolarHBondContact O-CD 3.49Å; F224-R228 VanDerWaalsContact O-CG 3.28Å; F224-R228 WeakPolarHBondContact O-CG 3.49Å; F224-V272 HydrophobicContact CE2-CG1 4.21Å; F224-V272 HydrophobicContact CZ-CG1 3.71Å; F224-P274 HydrophobicContact CB-CB 4.26Å; F224-P274 HydrophobicContact CB-CG 4.28Å; F224-P274 HydrophobicContact CD1-CB 4.22Å; F224-P274 HydrophobicContact CD1-CG 3.35Å; F224-P274 HydrophobicContact CD2-CB 3.98Å; F224-P274 HydrophobicContact CD2-CG 3.7Å; F224-P274 HydrophobicContact CE1-CG 3.33Å; F224-P274 HydrophobicContact CE2-CB 4.32Å; F224-P274 HydrophobicContact CE2-CG 3.71Å; F224-P274 HydrophobicContact CG-CB 3.9Å; F224-P274 HydrophobicContact CG-CG 3.51Å; F224-P274 HydrophobicContact CZ-CG 3.49Å; F224-P274 VanDerWaalsContact CZ-CG 3.49Å |
| 225 | F | 67.3 | Low | 78.2 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -32.6 | -173.9 | -65 | -72.5 | 0 | 0 | 0 | 113.3 | D223 P274 T475 | D223-F225 VanDerWaalsContact C-N 3.32Å; D223-F225 PolarHBondContact O-N 3.02Å; F225-P274 HydrophobicContact CZ-CG 4.18Å; F225-T475 HydrophobicContact CE1-CG2 4.49Å; F225-T475 HydrophobicContact CE2-CG2 4.31Å; F225-T475 HydrophobicContact CZ-CG2 3.63Å |
| 226 | T | 68.2 | Low | 79.3 | Confident | 86 Ų | 86 | 49 Ų | 49 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -24.5 | -173.9 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | D223 | D223-T226 PolarHBondContact O-N 3.04Å; D223-T226 PolarHBondContact O-OG1 2.95Å; D223-T226 PolarHBondContact OD1-OG1 2.83Å |
| 227 | C | 75.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -139 | 80.8 | -172.2 | -149.5 | 0 | 0 | 0 | 0 | 112.4 | Y219 G220 D223 M239 F241 C250 | Y219-C227 VanDerWaalsContact CA-O 3.24Å; Y219-C227 WeakPolarHBondContact CA-O 3.37Å; Y219-C227 WeakPolarHBondContact CB-O 3.34Å; G220-C227 PolarHBondContact N-O 3.09Å; D223-C227 HydrophobicContact CB-CB 3.49Å; D223-C227 VanDerWaalsContact CB-CB 3.49Å; D223-C227 CarbonylContact O-C 3.49Å; D223-C227 VanDerWaalsContact O-CA 3.3Å; D223-C227 WeakPolarHBondContact O-CA 3.17Å; D223-C227 WeakPolarHBondContact O-CB 3.49Å; D223-C227 PolarHBondContact O-N 2.84Å; C227-M239 HydrophobicContact CB-CE 4.37Å; C227-M239 WeakPolarHBondContact O-CE 3.21Å; C227-M239 VanDerWaalsContact SG-CE 3.6Å; C227-F241 HydrophobicContact CB-CE1 4.39Å; C227-C250 WeakPolarHBondContact CA-SG 3.35Å; C227-C250 HydrophobicContact CB-CB 3.6Å; C227-C250 WeakPolarHBondContact CB-SG 3.32Å; C227-C250 WeakPolarHBondContact SG-CB 3.45Å; C227-C250 CovalentContact SG-SG 2.01Å; C227-C250 PolarHBondContact SG-SG 2.87Å |
| 228 | R | 86.3 | Confident | 80.9 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.6 | 173.6 | 65.2 | 176.3 | 178.4 | 170.5 | 11.3 | 111.6 | M218 F224 E230 | M218-R228 CarbonylContact O-C 3.59Å; M218-R228 VanDerWaalsContact O-CA 3.23Å; M218-R228 WeakPolarHBondContact O-CA 2.91Å; F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 WeakPolarHBondContact O-CD 3.49Å; F224-R228 VanDerWaalsContact O-CG 3.28Å; F224-R228 WeakPolarHBondContact O-CG 3.49Å; R228-E230 IonicContact CZ-OE1 2.68Å; R228-E230 IonicContact NE-OE1 3.76Å; R228-E230 IonicContact NH1-OE1 2.87Å; R228-E230 PolarHBondContact NH1-OE1 3.35Å; R228-E230 IonicContact NH2-OE1 3.73Å; R228-E230 PolarHBondContact NH2-OE1 3.23Å |
| 229 | I | 88.3 | Confident | 81.2 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.4 | 162.7 | 58.2 | 174 | 0 | 0 | 0 | 109.4 | A217 M218 P231 F237 Q238 M239 | A217-I229 CarbonylContact C-O 3.56Å; A217-I229 VanDerWaalsContact CA-O 3.23Å; A217-I229 WeakPolarHBondContact CA-O 3.26Å; M218-I229 HydrophobicContact CB-CD1 4.35Å; M218-I229 HydrophobicContact CB-CG1 3.83Å; M218-I229 HydrophobicContact CE-CD1 3.67Å; M218-I229 HydrophobicContact CE-CG1 4.18Å; M218-I229 PolarHBondContact N-O 2.68Å; M218-I229 PolarHBondContact O-N 2.89Å; I229-P231 VanDerWaalsContact C-CD 3.5Å; I229-P231 WeakPolarHBondContact O-CD 3.49Å; I229-F237 HydrophobicContact CD1-CB 3.91Å; I229-F237 HydrophobicContact CD1-CD2 3.93Å; I229-F237 HydrophobicContact CD1-CG 4.38Å; I229-Q238 WeakPolarHBondContact CD1-O 3.34Å; I229-M239 HydrophobicContact CD1-CB 4.25Å; I229-M239 HydrophobicContact CG1-SD 4.39Å; I229-M239 HydrophobicContact CG2-CB 4.49Å; I229-M239 HydrophobicContact CG2-CG 4.27Å; I229-M239 HydrophobicContact CG2-SD 3.84Å |
| 230 | E | 85.2 | Confident | 81.6 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | trans | -120.1 | 76.6 | 178.8 | -64.8 | 177.3 | -159.1 | 0 | 0 | 108.6 | G216 R228 V272 | G216-E230 VanDerWaalsContact O-CA 3.28Å; G216-E230 WeakPolarHBondContact O-CA 3.04Å; R228-E230 IonicContact CZ-OE1 2.68Å; R228-E230 IonicContact NE-OE1 3.76Å; R228-E230 IonicContact NH1-OE1 2.87Å; R228-E230 PolarHBondContact NH1-OE1 3.35Å; R228-E230 IonicContact NH2-OE1 3.73Å; R228-E230 PolarHBondContact NH2-OE1 3.23Å; E230-V272 HydrophobicContact CB-CG2 4.49Å; E230-V272 HydrophobicContact CG-CG1 4.07Å; E230-V272 HydrophobicContact CG-CG2 3.8Å; E230-V272 WeakPolarHBondContact OE1-CG1 3.28Å | ||
| 231 | P | 82.3 | Confident | 82 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | trans | -57.1 | 144.5 | 177.8 | 25 | -35.9 | 0 | 0 | 0 | 110.5 | Y214 T215 G216 I229 E234 F237 | Y214-P231 HydrophobicContact CD1-CB 4.13Å; Y214-P231 HydrophobicContact CD1-CG 3.33Å; Y214-P231 HydrophobicContact CE1-CG 3.35Å; T215-P231 WeakPolarHBondContact CA-O 3.32Å; G216-P231 PolarHBondContact N-O 3.39Å; I229-P231 VanDerWaalsContact C-CD 3.5Å; I229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-E234 HydrophobicContact CB-CB 3.96Å; P231-E234 HydrophobicContact CB-CG 4.2Å; P231-F237 HydrophobicContact CB-CB 3.98Å; P231-F237 HydrophobicContact CB-CD1 3.92Å; P231-F237 HydrophobicContact CB-CG 3.92Å; P231-F237 HydrophobicContact CG-CB 4.31Å; P231-F237 HydrophobicContact CG-CD1 3.88Å; P231-F237 HydrophobicContact CG-CD2 4.03Å; P231-F237 HydrophobicContact CG-CE1 4.19Å; P231-F237 HydrophobicContact CG-CE2 4.28Å; P231-F237 HydrophobicContact CG-CG 3.81Å; P231-F237 HydrophobicContact CG-CZ 4.36Å | ||
| 232 | K | 79.3 | Confident | 82.6 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 68% | 0.683 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -125.3 | 105.9 | 179.6 | -67.4 | 178 | -174.8 | 170 | 0 | 109.4 | E234 | K232-E234 PolarHBondContact O-N 3.22Š|
| 233 | D | 76.4 | Confident | 83.2 | Confident | 79 Ų | 79 | 55 Ų | 55 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 53.2 | 34.6 | -176.2 | -65.5 | -45.8 | 0 | 0 | 0 | 112.9 | P213 Y214 T215 | P213-D233 HydrophobicContact CB-CB 3.89Å; Y214-D233 PolarHBondContact O-N 3.18Å; Y214-D233 VanDerWaalsContact O-N 3.07Å; T215-D233 PolarHBondContact OG1-N 3.27Å; T215-D233 PolarHBondContact OG1-OD1 2.84Å |
| 234 | E | 83.4 | Confident | 83.8 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.6 | -179.3 | -67.6 | 179.4 | -146.8 | 0 | 0 | 111.6 | Y214 P231 K232 | Y214-E234 WeakPolarHBondContact CB-O 3.44Å; Y214-E234 PolarHBondContact N-O 3.33Å; Y214-E234 PolarHBondContact O-N 3.34Å; P231-E234 HydrophobicContact CB-CB 3.96Å; P231-E234 HydrophobicContact CB-CG 4.2Å; K232-E234 PolarHBondContact O-N 3.22Å |
| 235 | L | 86 | Confident | 84.3 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -24.1 | 174.2 | -66.4 | 175.6 | 0 | 0 | 0 | 112.7 | S210 P213 | S210-L235 PolarHBondContact N-O 2.76Å; P213-L235 HydrophobicContact CG-CD2 4.23Å |
| 236 | K | 91 | Very high | 84.8 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 125.5 | -177 | 177 | 169.6 | -179.3 | 155 | 0 | 108.9 | V207 A208 E209 | V207-K236 HydrophobicContact CG1-CD 4.49Å; V207-K236 HydrophobicContact CG1-CG 4.31Å; A208-K236 WeakPolarHBondContact O-CA 3.46Å; E209-K236 HydrophobicContact CG-CB 4.5Å; E209-K236 HydrophobicContact CG-CD 4.08Å; E209-K236 HydrophobicContact CG-CG 4.07Å; E209-K236 WeakPolarHBondContact OE1-CE 3.45Å; E209-K236 IonicContact OE1-NZ 3.94Å; E209-K236 PolarHBondContact OE1-NZ 3.37Å |
| 237 | F | 91.3 | Very high | 84.8 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152 | 179 | 51.9 | -86.6 | 0 | 0 | 0 | 109.5 | V193 A208 Y214 M218 I229 P231 V267 | V193-F237 HydrophobicContact CG1-CE1 4.49Å; V193-F237 HydrophobicContact CG1-CZ 4.02Å; A208-F237 HydrophobicContact CB-CD1 4.42Å; A208-F237 HydrophobicContact CB-CD2 3.65Å; A208-F237 HydrophobicContact CB-CE1 4Å; A208-F237 HydrophobicContact CB-CE2 3.19Å; A208-F237 HydrophobicContact CB-CG 4.26Å; A208-F237 HydrophobicContact CB-CZ 3.39Å; A208-F237 PolarHBondContact N-O 2.87Å; A208-F237 PolarHBondContact O-N 3.44Å; Y214-F237 AromaticContact CD1-CD1 3.92Å; Y214-F237 HydrophobicContact CD1-CD1 3.92Å; Y214-F237 AromaticContact CD1-CE1 3.15Å; Y214-F237 HydrophobicContact CD1-CE1 3.15Å; Y214-F237 HydrophobicContact CD1-CE2 4.26Å; Y214-F237 AromaticContact CD1-CZ 3.34Å; Y214-F237 HydrophobicContact CD1-CZ 3.34Å; Y214-F237 HydrophobicContact CD2-CE1 4.49Å; Y214-F237 HydrophobicContact CD2-CZ 4.48Å; Y214-F237 AromaticContact CE1-CE1 3.7Å; Y214-F237 HydrophobicContact CE1-CE1 3.7Å; Y214-F237 AromaticContact CE1-CE2 3.97Å; Y214-F237 HydrophobicContact CE1-CE2 3.97Å; Y214-F237 AromaticContact CE1-CZ 3.34Å; Y214-F237 HydrophobicContact CE1-CZ 3.34Å; Y214-F237 HydrophobicContact CE2-CZ 4.49Å; Y214-F237 AromaticContact CG-CE1 3.6Å; Y214-F237 HydrophobicContact CG-CE1 3.6Å; Y214-F237 AromaticContact CG-CZ 3.93Å; Y214-F237 HydrophobicContact CG-CZ 3.93Å; Y214-F237 AromaticContact CZ-CZ 3.95Å; M218-F237 HydrophobicContact CB-CD2 4.04Å; M218-F237 HydrophobicContact CB-CE2 3.78Å; M218-F237 HydrophobicContact CE-CD2 4.3Å; M218-F237 HydrophobicContact CG-CE2 4.36Å; M218-F237 HydrophobicContact SD-CD2 3.91Å; M218-F237 HydrophobicContact SD-CE2 3.83Å; I229-F237 HydrophobicContact CD1-CB 3.91Å; I229-F237 HydrophobicContact CD1-CD2 3.93Å; I229-F237 HydrophobicContact CD1-CG 4.38Å; P231-F237 HydrophobicContact CB-CB 3.98Å; P231-F237 HydrophobicContact CB-CD1 3.92Å; P231-F237 HydrophobicContact CB-CG 3.92Å; P231-F237 HydrophobicContact CG-CB 4.31Å; P231-F237 HydrophobicContact CG-CD1 3.88Å; P231-F237 HydrophobicContact CG-CD2 4.03Å; P231-F237 HydrophobicContact CG-CE1 4.19Å; P231-F237 HydrophobicContact CG-CE2 4.28Å; P231-F237 HydrophobicContact CG-CG 3.81Å; P231-F237 HydrophobicContact CG-CZ 4.36Å; F237-V267 HydrophobicContact CE2-CG1 4.31Å; F237-V267 HydrophobicContact CZ-CG1 4.06Å |
| 238 | Q | 93.2 | Very high | 84.5 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.5 | -170.1 | 63.8 | -173.2 | 29.7 | 0 | 0 | 111.9 | F205 V206 V207 I229 | F205-Q238 HydrophobicContact CD1-CB 4.33Å; F205-Q238 HydrophobicContact CE1-CB 3.45Å; F205-Q238 VanDerWaalsContact CE1-CB 3.45Å; F205-Q238 HydrophobicContact CE1-CG 3.5Å; F205-Q238 HydrophobicContact CZ-CB 3.97Å; F205-Q238 VanDerWaalsContact CZ-CD 3.44Å; F205-Q238 HydrophobicContact CZ-CG 3.58Å; F205-Q238 VanDerWaalsContact CZ-NE2 3.27Å; V206-Q238 CarbonylContact O-C 3.52Å; V206-Q238 WeakPolarHBondContact O-CA 3.34Å; V206-Q238 WeakPolarHBondContact O-CB 3.31Å; V207-Q238 HydrophobicContact CG2-CB 4.09Å; I229-Q238 WeakPolarHBondContact CD1-O 3.34Å |
| 239 | M | 91.4 | Very high | 83.7 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.2 | 179.9 | -165.3 | 165.7 | 69.3 | 0 | 0 | 110.9 | V206 M218 C227 I229 F241 | V206-M239 PolarHBondContact N-O 3.47Å; V206-M239 PolarHBondContact O-N 3.24Å; M218-M239 HydrophobicContact CE-CB 3.38Å; C227-M239 HydrophobicContact CB-CE 4.37Å; C227-M239 WeakPolarHBondContact O-CE 3.21Å; C227-M239 VanDerWaalsContact SG-CE 3.6Å; I229-M239 HydrophobicContact CD1-CB 4.25Å; I229-M239 HydrophobicContact CG1-SD 4.39Å; I229-M239 HydrophobicContact CG2-CB 4.49Å; I229-M239 HydrophobicContact CG2-CG 4.27Å; I229-M239 HydrophobicContact CG2-SD 3.84Å; M239-F241 HydrophobicContact CB-CE2 4.22Å; M239-F241 HydrophobicContact CE-CD1 4.4Å; M239-F241 HydrophobicContact CE-CD2 4.42Å; M239-F241 HydrophobicContact CE-CE1 3.47Å; M239-F241 VanDerWaalsContact CE-CE1 3.47Å; M239-F241 HydrophobicContact CE-CE2 3.51Å; M239-F241 HydrophobicContact CE-CZ 2.98Å; M239-F241 HydrophobicContact CG-CE2 4.43Å |
| 240 | F | 92.9 | Very high | 83.1 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.9 | 176.8 | -178.3 | -112.9 | 0 | 0 | 0 | 110.9 | Q200 A202 F205 P242 | Q200-F240 HydrophobicContact CB-CE2 4.37Å; A202-F240 HydrophobicContact CB-CZ 3.97Å; F205-F240 HydrophobicContact CB-CD2 4.23Å; F205-F240 HydrophobicContact CD2-CB 3.66Å; F205-F240 AromaticContact CD2-CD2 3.7Å; F205-F240 HydrophobicContact CD2-CD2 3.7Å; F205-F240 HydrophobicContact CD2-CG 4.09Å; F205-F240 HydrophobicContact CE2-CB 3.86Å; F205-F240 HydrophobicContact CG-CD2 4.44Å; F240-P242 HydrophobicContact CE1-CB 3.9Å |
| 241 | F | 91.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 103.1 | 176.2 | -65.1 | -96.7 | 0 | 0 | 0 | 108.6 | G203 I204 V206 G220 C227 M239 I254 L263 V265 | G203-F241 CarbonylContact C-O 3.47Å; G203-F241 WeakPolarHBondContact CA-O 3.14Å; I204-F241 PolarHBondContact N-O 3Å; I204-F241 PolarHBondContact O-N 2.79Å; V206-F241 HydrophobicContact CB-CE2 4.17Å; V206-F241 HydrophobicContact CG2-CD2 4.07Å; V206-F241 HydrophobicContact CG2-CE2 3.99Å; G220-F241 VanDerWaalsContact CA-CE1 3.5Å; C227-F241 HydrophobicContact CB-CE1 4.39Å; M239-F241 HydrophobicContact CB-CE2 4.22Å; M239-F241 HydrophobicContact CE-CD1 4.4Å; M239-F241 HydrophobicContact CE-CD2 4.42Å; M239-F241 HydrophobicContact CE-CE1 3.47Å; M239-F241 VanDerWaalsContact CE-CE1 3.47Å; M239-F241 HydrophobicContact CE-CE2 3.51Å; M239-F241 HydrophobicContact CE-CZ 2.98Å; M239-F241 HydrophobicContact CG-CE2 4.43Å; F241-I254 HydrophobicContact CB-CD1 4.04Å; F241-L263 HydrophobicContact CB-CD1 4.2Å; F241-L263 HydrophobicContact CB-CD2 3.72Å; F241-L263 HydrophobicContact CD1-CD1 3.63Å; F241-L263 HydrophobicContact CD1-CD2 4.16Å; F241-L263 HydrophobicContact CD2-CD1 4.42Å; F241-L263 HydrophobicContact CD2-CD2 3.44Å; F241-L263 VanDerWaalsContact CD2-CD2 3.44Å; F241-L263 HydrophobicContact CE1-CD1 3.94Å; F241-L263 HydrophobicContact CE2-CD2 3.94Å; F241-L263 HydrophobicContact CG-CD1 3.85Å; F241-L263 HydrophobicContact CG-CD2 3.52Å; F241-L263 HydrophobicContact CG-CG 4.34Å; F241-L263 HydrophobicContact CZ-CD1 4.39Å; F241-L263 HydrophobicContact CZ-CD2 4.44Å; F241-V265 HydrophobicContact CD2-CG2 4.37Å; F241-V265 HydrophobicContact CE1-CG2 4.34Å; F241-V265 HydrophobicContact CE2-CG1 4.38Å; F241-V265 HydrophobicContact CE2-CG2 3.55Å; F241-V265 HydrophobicContact CZ-CB 4.37Å; F241-V265 HydrophobicContact CZ-CG1 4.09Å; F241-V265 HydrophobicContact CZ-CG2 3.48Å; F241-V265 VanDerWaalsContact CZ-CG2 3.48Å |
| 242 | P | 90.6 | Very high | 83 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.3 | -179.8 | 28.7 | -31.5 | 0 | 0 | 0 | 110.3 | A202 F240 A246 N249 C250 S251 I254 | A202-P242 CarbonylContact O-C 3.57Å; A202-P242 WeakPolarHBondContact O-CA 3.49Å; F240-P242 HydrophobicContact CE1-CB 3.9Å; P242-A246 HydrophobicContact CB-CB 4.42Å; P242-N249 WeakPolarHBondContact CG-O 3.44Å; P242-C250 VanDerWaalsContact CD-CB 3.45Å; P242-C250 HydrophobicContact CG-CB 4.12Å; P242-S251 WeakPolarHBondContact O-CB 3.42Å; P242-S251 PolarHBondContact O-OG 2.96Å; P242-I254 WeakPolarHBondContact O-CD1 3.44Å |
| 243 | F | 88.9 | Confident | 83.2 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | trans | -59.5 | 149.1 | 172.2 | -64.8 | -48.7 | 0 | 0 | 0 | 110.3 | Q200 A202 G203 I204 S245 A246 G247 I254 Y261 C310 | Q200-F243 WeakPolarHBondContact O-CE2 3.49Å; A202-F243 VanDerWaalsContact C-CD2 3.45Å; A202-F243 PolarHBondContact O-N 3.19Å; G203-F243 VanDerWaalsContact N-CD2 3.28Å; G203-F243 VanDerWaalsContact N-CE2 3.32Å; I204-F243 HydrophobicContact CD1-CE1 3.99Å; I204-F243 HydrophobicContact CG1-CD1 4.39Å; I204-F243 HydrophobicContact CG1-CE1 3.52Å; I204-F243 HydrophobicContact CG1-CZ 4.04Å; F243-S245 PolarHBondContact O-N 2.89Å; F243-A246 PolarHBondContact O-N 3.23Å; F243-G247 PolarHBondContact O-N 2.94Å; F243-I254 HydrophobicContact CD1-CD1 4.21Å; F243-Y261 HydrophobicContact CB-CE1 4.42Å; F243-Y261 AromaticContact CD1-CD1 3.75Å; F243-Y261 HydrophobicContact CD1-CD1 3.75Å; F243-Y261 AromaticContact CD1-CD2 3.8Å; F243-Y261 HydrophobicContact CD1-CD2 3.8Å; F243-Y261 HydrophobicContact CD1-CE1 4.05Å; F243-Y261 HydrophobicContact CD1-CE2 4.09Å; F243-Y261 AromaticContact CD1-CG 3.62Å; F243-Y261 HydrophobicContact CD1-CG 3.62Å; F243-Y261 HydrophobicContact CD2-CE2 4.43Å; F243-Y261 HydrophobicContact CE1-CD1 4.14Å; F243-Y261 AromaticContact CE1-CD2 3.51Å; F243-Y261 HydrophobicContact CE1-CD2 3.51Å; F243-Y261 HydrophobicContact CE1-CE2 4.13Å; F243-Y261 AromaticContact CE1-CG 3.51Å; F243-Y261 HydrophobicContact CE1-CG 3.51Å; F243-Y261 HydrophobicContact CE2-CD2 4.46Å; F243-Y261 HydrophobicContact CE2-CE2 4.46Å; F243-Y261 HydrophobicContact CG-CD1 4.49Å; F243-Y261 HydrophobicContact CG-CD2 4.42Å; F243-Y261 HydrophobicContact CG-CE1 4.35Å; F243-Y261 HydrophobicContact CG-CE2 4.27Å; F243-Y261 AromaticContact CZ-CD2 3.89Å; F243-Y261 HydrophobicContact CZ-CD2 3.89Å; F243-Y261 HydrophobicContact CZ-CE2 4.33Å; F243-Y261 HydrophobicContact CZ-CG 4.35Å; F243-C310 HydrophobicContact CZ-CB 4.35Å | ||
| 244 | P | 82.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.2 | 177.7 | -26.4 | 33.2 | 0 | 0 | 0 | 114.6 | G247 I254 | P244-G247 CarbonylContact C-O 3.52Å; P244-G247 WeakPolarHBondContact CA-O 3.36Å; P244-I254 HydrophobicContact CG-CB 4.39Å |
| 245 | S | 79.1 | Confident | 83.8 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.2 | 175.1 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | F243 | F243-S245 PolarHBondContact O-N 2.89Š|
| 246 | A | 77.5 | Confident | 83.7 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A202 P242 F243 | A202-A246 HydrophobicContact CB-CB 4.44Å; P242-A246 HydrophobicContact CB-CB 4.42Å; F243-A246 PolarHBondContact O-N 3.23Å |
| 247 | G | 68.2 | Low | 83.3 | Confident | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | -171.5 | 169.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F243 P244 S251 | F243-G247 PolarHBondContact O-N 2.94Å; P244-G247 CarbonylContact C-O 3.52Å; P244-G247 WeakPolarHBondContact CA-O 3.36Å; G247-S251 PolarHBondContact O-OG 2.87Å | ||
| 248 | K | 68.3 | Low | 82.9 | Confident | 185 Ų | 185 | 59.7 Ų | 59.7 | 80% | 0.804 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -97.5 | -27.8 | 173.1 | -69 | -169.9 | 177.5 | -173.7 | 0 | 113.4 | ||
| 249 | N | 70.6 | Confident | 82.5 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 132.2 | 179.6 | -65.6 | -7 | 0 | 0 | 0 | 109.1 | P242 S251 | P242-N249 WeakPolarHBondContact CG-O 3.44Å; N249-S251 VanDerWaalsContact C-N 3.34Å; N249-S251 PolarHBondContact O-OG 3.4Å |
| 250 | C | 76.3 | Confident | 82.3 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 14% | 0.142 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 20.1 | -178.5 | -73.8 | 0 | 0 | 0 | 0 | 115.8 | C227 P242 | C227-C250 WeakPolarHBondContact CA-SG 3.35Å; C227-C250 HydrophobicContact CB-CB 3.6Å; C227-C250 WeakPolarHBondContact CB-SG 3.32Å; C227-C250 WeakPolarHBondContact SG-CB 3.45Å; C227-C250 CovalentContact SG-SG 2.01Å; C227-C250 PolarHBondContact SG-SG 2.87Å; P242-C250 VanDerWaalsContact CD-CB 3.45Å; P242-C250 HydrophobicContact CG-CB 4.12Å |
| 251 | S | 83.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 35% | 0.353 | C | S | . | . | trans | -116.9 | -10.9 | -171.7 | -50.8 | 0 | 0 | 0 | 0 | 114.2 | P242 G247 N249 S253 I254 | P242-S251 WeakPolarHBondContact O-CB 3.42Å; P242-S251 PolarHBondContact O-OG 2.96Å; G247-S251 PolarHBondContact O-OG 2.87Å; N249-S251 VanDerWaalsContact C-N 3.34Å; N249-S251 PolarHBondContact O-OG 3.4Å; S251-S253 PolarHBondContact O-N 3.4Å; S251-I254 PolarHBondContact O-N 2.92Å; S251-I254 VanDerWaalsContact O-N 3.11Å | ||
| 252 | E | 81.3 | Confident | 82 | Confident | 136 Ų | 136 | 62 Ų | 62 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.1 | -176.9 | -58.5 | -173 | 166.1 | 0 | 0 | 112.6 | D223 I254 | D223-E252 WeakPolarHBondContact OD1-CB 3.39Å; D223-E252 PolarHBondContact OD1-N 3.21Å; D223-E252 WeakPolarHBondContact OD2-CA 3.24Å; D223-E252 PolarHBondContact OD2-N 3.23Å; E252-I254 VanDerWaalsContact C-N 3.26Å |
| 253 | S | 82.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.2 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | G220 L221 Y222 D223 S251 L263 D264 | G220-S253 VanDerWaalsContact CA-OG 3.31Å; G220-S253 WeakPolarHBondContact CA-OG 3.46Å; L221-S253 PolarHBondContact N-OG 3.33Å; Y222-S253 PolarHBondContact N-OG 3.06Å; D223-S253 PolarHBondContact N-OG 3.25Å; D223-S253 WeakPolarHBondContact OD2-CB 3.37Å; D223-S253 PolarHBondContact OD2-N 3.41Å; D223-S253 PolarHBondContact OD2-OG 2.78Å; S251-S253 PolarHBondContact O-N 3.4Å; S253-L263 WeakPolarHBondContact O-CA 3.42Å; S253-D264 PolarHBondContact O-N 2.79Å |
| 254 | I | 86.6 | Confident | 81.6 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116 | 175.8 | -52.3 | -175.4 | 0 | 0 | 0 | 109.1 | F241 P242 F243 P244 S251 E252 Y261 I262 L263 | F241-I254 HydrophobicContact CB-CD1 4.04Å; P242-I254 WeakPolarHBondContact O-CD1 3.44Å; F243-I254 HydrophobicContact CD1-CD1 4.21Å; P244-I254 HydrophobicContact CG-CB 4.39Å; S251-I254 PolarHBondContact O-N 2.92Å; S251-I254 VanDerWaalsContact O-N 3.11Å; E252-I254 VanDerWaalsContact C-N 3.26Å; I254-Y261 HydrophobicContact CG2-CD1 3.82Å; I254-Y261 HydrophobicContact CG2-CG 4.36Å; I254-I262 CarbonylContact C-O 3.58Å; I254-I262 VanDerWaalsContact CA-O 3.28Å; I254-I262 WeakPolarHBondContact CA-O 3.46Å; I254-L263 HydrophobicContact CG1-CB 4.12Å; I254-L263 HydrophobicContact CG1-CD1 3.81Å; I254-L263 HydrophobicContact CG1-CG 4.45Å |
| 255 | I | 85.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 58 Ų | 58 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156.8 | 170.4 | 66.2 | 175.4 | 0 | 0 | 0 | 110.4 | E257 I262 | I255-E257 HydrophobicContact CD1-CG 4.08Å; I255-E257 HydrophobicContact CG1-CG 4.45Å; I255-I262 HydrophobicContact CD1-CB 4.39Å; I255-I262 HydrophobicContact CG1-CB 3.78Å; I255-I262 HydrophobicContact CG1-CG2 4.34Å; I255-I262 PolarHBondContact N-O 2.84Å; I255-I262 PolarHBondContact O-N 2.81Å |
| 256 | L | 83.4 | Confident | 81.7 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.9 | 172.7 | -164.2 | 105.1 | 0 | 0 | 0 | 108.6 | Y261 | L256-Y261 HydrophobicContact CD1-CD1 3.79Å; L256-Y261 HydrophobicContact CD1-CE1 3.49Å; L256-Y261 VanDerWaalsContact CD1-CE1 3.49Å; L256-Y261 HydrophobicContact CD1-CG 4.43Å |
| 257 | E | 82.6 | Confident | 81.8 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 105.3 | 171.5 | -71.1 | -168.1 | 171 | 0 | 0 | 108.8 | I255 D259 E260 I262 | I255-E257 HydrophobicContact CD1-CG 4.08Å; I255-E257 HydrophobicContact CG1-CG 4.45Å; E257-D259 PolarHBondContact O-N 3.26Å; E257-E260 PolarHBondContact N-O 2.91Å; E257-E260 PolarHBondContact O-N 3.49Å; E257-E260 VanDerWaalsContact O-N 3.08Å; E257-I262 HydrophobicContact CB-CD1 3.72Å; E257-I262 HydrophobicContact CB-CG1 4.41Å; E257-I262 HydrophobicContact CG-CD1 3.79Å; E257-I262 WeakPolarHBondContact OE2-CD1 3.26Å |
| 258 | G | 84.4 | Confident | 81.8 | Confident | 60 Ų | 60 | 49 Ų | 49 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -120.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 259 | D | 84.8 | Confident | 81.3 | Confident | 123 Ų | 123 | 41.9 Ų | 41.9 | 66% | 0.658 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 15.7 | 177.3 | -74.5 | -31.5 | 0 | 0 | 0 | 113 | E257 R312 | E257-D259 PolarHBondContact O-N 3.26Å; D259-R312 WeakPolarHBondContact O-CB 3.21Å; D259-R312 PolarHBondContact O-N 2.64Å |
| 260 | E | 86.7 | Confident | 80.2 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 36% | 0.36 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.2 | 176.8 | -59.2 | -164.4 | 132 | 0 | 0 | 111.7 | E257 I262 R309 | E257-E260 PolarHBondContact N-O 2.91Å; E257-E260 PolarHBondContact O-N 3.49Å; E257-E260 VanDerWaalsContact O-N 3.08Å; E260-I262 HydrophobicContact CB-CG1 4.45Å; E260-R309 IonicContact OE2-NH1 3.14Å; E260-R309 PolarHBondContact OE2-NH1 3.46Å |
| 261 | Y | 88.2 | Confident | 79 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.9 | 159.4 | -68.8 | -75.8 | 0 | 0 | 0 | 108.6 | F243 I254 L256 R309 C310 R312 | F243-Y261 HydrophobicContact CB-CE1 4.42Å; F243-Y261 AromaticContact CD1-CD1 3.75Å; F243-Y261 HydrophobicContact CD1-CD1 3.75Å; F243-Y261 AromaticContact CD1-CD2 3.8Å; F243-Y261 HydrophobicContact CD1-CD2 3.8Å; F243-Y261 HydrophobicContact CD1-CE1 4.05Å; F243-Y261 HydrophobicContact CD1-CE2 4.09Å; F243-Y261 AromaticContact CD1-CG 3.62Å; F243-Y261 HydrophobicContact CD1-CG 3.62Å; F243-Y261 HydrophobicContact CD2-CE2 4.43Å; F243-Y261 HydrophobicContact CE1-CD1 4.14Å; F243-Y261 AromaticContact CE1-CD2 3.51Å; F243-Y261 HydrophobicContact CE1-CD2 3.51Å; F243-Y261 HydrophobicContact CE1-CE2 4.13Å; F243-Y261 AromaticContact CE1-CG 3.51Å; F243-Y261 HydrophobicContact CE1-CG 3.51Å; F243-Y261 HydrophobicContact CE2-CD2 4.46Å; F243-Y261 HydrophobicContact CE2-CE2 4.46Å; F243-Y261 HydrophobicContact CG-CD1 4.49Å; F243-Y261 HydrophobicContact CG-CD2 4.42Å; F243-Y261 HydrophobicContact CG-CE1 4.35Å; F243-Y261 HydrophobicContact CG-CE2 4.27Å; F243-Y261 AromaticContact CZ-CD2 3.89Å; F243-Y261 HydrophobicContact CZ-CD2 3.89Å; F243-Y261 HydrophobicContact CZ-CE2 4.33Å; F243-Y261 HydrophobicContact CZ-CG 4.35Å; I254-Y261 HydrophobicContact CG2-CD1 3.82Å; I254-Y261 HydrophobicContact CG2-CG 4.36Å; L256-Y261 HydrophobicContact CD1-CD1 3.79Å; L256-Y261 HydrophobicContact CD1-CE1 3.49Å; L256-Y261 VanDerWaalsContact CD1-CE1 3.49Å; L256-Y261 HydrophobicContact CD1-CG 4.43Å; Y261-R309 WeakPolarHBondContact O-CA 2.99Å; Y261-C310 PolarHBondContact N-O 2.82Å; Y261-C310 PolarHBondContact O-N 3.45Å; Y261-R312 HydrophobicContact CD2-CB 4.35Å; Y261-R312 HydrophobicContact CE2-CB 3.98Å; Y261-R312 HydrophobicContact CE2-CG 3.79Å |
| 262 | I | 89.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.5 | 178.4 | -55.5 | -173.3 | 0 | 0 | 0 | 108.5 | I254 I255 E257 E260 Q307 A308 R309 | I254-I262 CarbonylContact C-O 3.58Å; I254-I262 VanDerWaalsContact CA-O 3.28Å; I254-I262 WeakPolarHBondContact CA-O 3.46Å; I255-I262 HydrophobicContact CD1-CB 4.39Å; I255-I262 HydrophobicContact CG1-CB 3.78Å; I255-I262 HydrophobicContact CG1-CG2 4.34Å; I255-I262 PolarHBondContact N-O 2.84Å; I255-I262 PolarHBondContact O-N 2.81Å; E257-I262 HydrophobicContact CB-CD1 3.72Å; E257-I262 HydrophobicContact CB-CG1 4.41Å; E257-I262 HydrophobicContact CG-CD1 3.79Å; E257-I262 WeakPolarHBondContact OE2-CD1 3.26Å; E260-I262 HydrophobicContact CB-CG1 4.45Å; I262-Q307 HydrophobicContact CG2-CG 3.44Å; I262-Q307 VanDerWaalsContact CG2-CG 3.44Å; I262-A308 WeakPolarHBondContact CA-O 3.48Å; I262-R309 HydrophobicContact CG1-CG 4.32Å |
| 263 | L | 87.6 | Confident | 76 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.9 | 178.4 | 165.4 | 68.7 | 0 | 0 | 0 | 109.7 | I204 V206 F241 S253 I254 V265 Q307 A308 | I204-L263 HydrophobicContact CB-CD2 3.96Å; I204-L263 HydrophobicContact CD1-CB 3.79Å; I204-L263 HydrophobicContact CD1-CD2 4.35Å; I204-L263 HydrophobicContact CG2-CD2 3.98Å; V206-L263 HydrophobicContact CG2-CD2 3.77Å; F241-L263 HydrophobicContact CB-CD1 4.2Å; F241-L263 HydrophobicContact CB-CD2 3.72Å; F241-L263 HydrophobicContact CD1-CD1 3.63Å; F241-L263 HydrophobicContact CD1-CD2 4.16Å; F241-L263 HydrophobicContact CD2-CD1 4.42Å; F241-L263 HydrophobicContact CD2-CD2 3.44Å; F241-L263 VanDerWaalsContact CD2-CD2 3.44Å; F241-L263 HydrophobicContact CE1-CD1 3.94Å; F241-L263 HydrophobicContact CE2-CD2 3.94Å; F241-L263 HydrophobicContact CG-CD1 3.85Å; F241-L263 HydrophobicContact CG-CD2 3.52Å; F241-L263 HydrophobicContact CG-CG 4.34Å; F241-L263 HydrophobicContact CZ-CD1 4.39Å; F241-L263 HydrophobicContact CZ-CD2 4.44Å; S253-L263 WeakPolarHBondContact O-CA 3.42Å; I254-L263 HydrophobicContact CG1-CB 4.12Å; I254-L263 HydrophobicContact CG1-CD1 3.81Å; I254-L263 HydrophobicContact CG1-CG 4.45Å; L263-V265 HydrophobicContact CD1-CG2 4.05Å; L263-V265 HydrophobicContact CD2-CG2 3.63Å; L263-V265 HydrophobicContact CG-CG2 3.63Å; L263-Q307 CarbonylContact O-C 3.29Å; L263-Q307 VanDerWaalsContact O-CA 3.31Å; L263-Q307 WeakPolarHBondContact O-CA 3.45Å; L263-A308 HydrophobicContact CB-CB 4.23Å; L263-A308 HydrophobicContact CD2-CB 4.41Å; L263-A308 PolarHBondContact N-O 3.47Å; L263-A308 PolarHBondContact O-N 2.97Å |
| 264 | D | 84.7 | Confident | 74.4 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.1 | 170.6 | -65.6 | -35 | 0 | 0 | 0 | 110.4 | L221 S253 Q307 | L221-D264 HydrophobicContact CB-CB 3.88Å; L221-D264 HydrophobicContact CD2-CB 3.89Å; L221-D264 PolarHBondContact N-O 3.07Å; S253-D264 PolarHBondContact O-N 2.79Å; D264-Q307 WeakPolarHBondContact OD1-CB 3.15Å; D264-Q307 WeakPolarHBondContact OD1-CG 3.31Å; D264-Q307 PolarHBondContact OD1-NE2 3.41Å |
| 265 | V | 83.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.3 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | V206 M218 Y219 F241 L263 I305 Y306 | V206-V265 HydrophobicContact CB-CG2 4.42Å; V206-V265 HydrophobicContact CG1-CG1 4.29Å; V206-V265 HydrophobicContact CG1-CG2 4.32Å; V206-V265 HydrophobicContact CG2-CG2 3.86Å; M218-V265 HydrophobicContact CG-CG1 3.58Å; M218-V265 HydrophobicContact SD-CG1 4.19Å; Y219-V265 CarbonylContact O-C 3.37Å; Y219-V265 WeakPolarHBondContact O-CA 3.25Å; Y219-V265 WeakPolarHBondContact O-CG1 3.3Å; F241-V265 HydrophobicContact CD2-CG2 4.37Å; F241-V265 HydrophobicContact CE1-CG2 4.34Å; F241-V265 HydrophobicContact CE2-CG1 4.38Å; F241-V265 HydrophobicContact CE2-CG2 3.55Å; F241-V265 HydrophobicContact CZ-CB 4.37Å; F241-V265 HydrophobicContact CZ-CG1 4.09Å; F241-V265 HydrophobicContact CZ-CG2 3.48Å; F241-V265 VanDerWaalsContact CZ-CG2 3.48Å; L263-V265 HydrophobicContact CD1-CG2 4.05Å; L263-V265 HydrophobicContact CD2-CG2 3.63Å; L263-V265 HydrophobicContact CG-CG2 3.63Å; V265-I305 CarbonylContact O-C 3.41Å; V265-I305 WeakPolarHBondContact O-CA 3.47Å; V265-Y306 PolarHBondContact N-O 3.16Å; V265-Y306 PolarHBondContact O-N 3.21Å |
| 266 | V | 80.5 | Confident | 70.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.2 | 176 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | M218 Y219 L221 L275 D303 L304 I305 | M218-V266 CarbonylContact C-O 3.55Å; M218-V266 VanDerWaalsContact CA-O 3.23Å; M218-V266 WeakPolarHBondContact CA-O 3.16Å; Y219-V266 HydrophobicContact CD1-CB 4.22Å; Y219-V266 HydrophobicContact CD2-CB 3.87Å; Y219-V266 HydrophobicContact CD2-CG2 4.1Å; Y219-V266 HydrophobicContact CE1-CB 3.89Å; Y219-V266 HydrophobicContact CE1-CG1 3.79Å; Y219-V266 HydrophobicContact CE2-CB 3.51Å; Y219-V266 HydrophobicContact CE2-CG1 3.97Å; Y219-V266 HydrophobicContact CE2-CG2 3.61Å; Y219-V266 HydrophobicContact CG-CB 4.23Å; Y219-V266 VanDerWaalsContact CZ-CG1 3.46Å; Y219-V266 PolarHBondContact N-O 3.45Å; Y219-V266 PolarHBondContact O-N 3.17Å; Y219-V266 WeakPolarHBondContact OH-CG1 3.22Å; L221-V266 HydrophobicContact CB-CG2 4.09Å; L221-V266 HydrophobicContact CD1-CG2 3.49Å; L221-V266 VanDerWaalsContact CD1-CG2 3.49Å; L221-V266 HydrophobicContact CG-CG2 4.41Å; V266-L275 HydrophobicContact CB-CD1 4.45Å; V266-L275 HydrophobicContact CG1-CD1 3.77Å; V266-L275 HydrophobicContact CG2-CD1 3.81Å; V266-D303 HydrophobicContact CG1-CB 3.46Å; V266-D303 VanDerWaalsContact CG1-CB 3.46Å; V266-L304 CarbonylContact C-O 3.41Å; V266-L304 WeakPolarHBondContact CA-O 3.41Å; V266-I305 HydrophobicContact CG2-CG1 4.42Å |
| 267 | V | 78.2 | Confident | 68.4 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 108.2 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | V193 V195 Y214 M218 F237 D303 L304 | V193-V267 HydrophobicContact CB-CG1 4.48Å; V193-V267 HydrophobicContact CG1-CG1 4.17Å; V195-V267 HydrophobicContact CG2-CG2 3.77Å; Y214-V267 HydrophobicContact CE1-CG1 4.45Å; Y214-V267 HydrophobicContact CE2-CG1 4.01Å; Y214-V267 WeakPolarHBondContact OH-CG1 3.28Å; M218-V267 HydrophobicContact CB-CG2 4.4Å; M218-V267 HydrophobicContact CG-CG2 3.92Å; M218-V267 HydrophobicContact SD-CG2 4.11Å; F237-V267 HydrophobicContact CE2-CG1 4.31Å; F237-V267 HydrophobicContact CZ-CG1 4.06Å; V267-D303 WeakPolarHBondContact O-CA 3.35Å; V267-L304 HydrophobicContact CB-CB 4.24Å; V267-L304 PolarHBondContact N-O 2.04Å; V267-L304 PolarHBondContact O-N 2.89Å |
| 268 | S | 69.1 | Low | 66.3 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | trans | -78.2 | 126.5 | -170.6 | 177.9 | 0 | 0 | 0 | 0 | 113.5 | Y214 A217 D270 G271 D303 | Y214-S268 PolarHBondContact OH-N 2.9Å; Y214-S268 PolarHBondContact OH-O 3.46Å; A217-S268 PolarHBondContact O-N 2.83Å; S268-D270 PolarHBondContact OG-N 2.86Å; S268-D270 PolarHBondContact OG-OD1 2.89Å; S268-D270 VanDerWaalsContact OG-OD1 3.12Å; S268-G271 WeakPolarHBondContact CB-O 3.25Å; S268-G271 PolarHBondContact OG-N 2.95Å; S268-G271 PolarHBondContact OG-O 2.89Å; S268-D303 VanDerWaalsContact CA-CG 3.48Å; S268-D303 WeakPolarHBondContact CA-OD1 3.25Å; S268-D303 WeakPolarHBondContact CB-OD1 3.34Å; S268-D303 PolarHBondContact OG-OD1 2.85Å | ||
| 269 | L | 58.1 | Low | 63.8 | Low | 36 Ų | 36 | 41.7 Ų | 41.7 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -98.1 | 10.6 | 177.6 | -53.7 | -169.4 | 0 | 0 | 0 | 112.5 | Q165 Y214 Q302 D303 | Q165-L269 WeakPolarHBondContact CG-O 3.42Å; Q165-L269 PolarHBondContact NE2-O 3.04Å; Q165-L269 VanDerWaalsContact NE2-O 3.09Å; Y214-L269 HydrophobicContact CE2-CD2 4.34Å; L269-Q302 HydrophobicContact CB-CB 4.15Å; L269-Q302 VanDerWaalsContact CB-O 3.27Å; L269-Q302 WeakPolarHBondContact CB-O 3.45Å; L269-Q302 WeakPolarHBondContact CD1-O 3.14Å; L269-Q302 WeakPolarHBondContact CG-O 3.42Å; L269-D303 PolarHBondContact N-OD1 2.86Å |
| 270 | D | 47.9 | Very low | 61.4 | Low | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -133.2 | 8 | 178.8 | 73 | -0.1 | 0 | 0 | 0 | 115 | S268 | S268-D270 PolarHBondContact OG-N 2.86Å; S268-D270 PolarHBondContact OG-OD1 2.89Å; S268-D270 VanDerWaalsContact OG-OD1 3.12Å |
| 271 | G | 49.3 | Very low | 58.9 | Low | 7 Ų | 7 | 45.5 Ų | 45.5 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 129.6 | -140.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | A217 S268 | A217-G271 PolarHBondContact N-O 2.81Å; S268-G271 WeakPolarHBondContact CB-O 3.25Å; S268-G271 PolarHBondContact OG-N 2.95Å; S268-G271 PolarHBondContact OG-O 2.89Å |
| 272 | V | 52.3 | Low | 56.3 | Low | 39 Ų | 39 | 45.5 Ų | 45.5 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -112.3 | 79.8 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | A217 F224 E230 | A217-V272 HydrophobicContact CB-CB 4.31Å; A217-V272 HydrophobicContact CB-CG1 4.1Å; A217-V272 HydrophobicContact CB-CG2 4.05Å; F224-V272 HydrophobicContact CE2-CG1 4.21Å; F224-V272 HydrophobicContact CZ-CG1 3.71Å; E230-V272 HydrophobicContact CB-CG2 4.49Å; E230-V272 HydrophobicContact CG-CG1 4.07Å; E230-V272 HydrophobicContact CG-CG2 3.8Å; E230-V272 WeakPolarHBondContact OE1-CG1 3.28Å |
| 273 | K | 50.2 | Low | 53.6 | Low | 119 Ų | 119 | 51.2 Ų | 51.2 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | trans | -129.7 | 133.8 | 176.1 | -69.5 | -174.1 | 179.3 | -175 | 0 | 109.7 | Y219 | Y219-K273 PolarHBondContact OH-O 2.83Š| ||
| 274 | P | 48.8 | Very low | 50.9 | Low | 15 Ų | 15 | 55.4 Ų | 55.4 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | trans | -68 | 141.9 | 171.5 | -22 | 35.8 | 0 | 0 | 0 | 111 | F224 F225 Y276 | F224-P274 HydrophobicContact CB-CB 4.26Å; F224-P274 HydrophobicContact CB-CG 4.28Å; F224-P274 HydrophobicContact CD1-CB 4.22Å; F224-P274 HydrophobicContact CD1-CG 3.35Å; F224-P274 HydrophobicContact CD2-CB 3.98Å; F224-P274 HydrophobicContact CD2-CG 3.7Å; F224-P274 HydrophobicContact CE1-CG 3.33Å; F224-P274 HydrophobicContact CE2-CB 4.32Å; F224-P274 HydrophobicContact CE2-CG 3.71Å; F224-P274 HydrophobicContact CG-CB 3.9Å; F224-P274 HydrophobicContact CG-CG 3.51Å; F224-P274 HydrophobicContact CZ-CG 3.49Å; F224-P274 VanDerWaalsContact CZ-CG 3.49Å; F225-P274 HydrophobicContact CZ-CG 4.18Å; P274-Y276 VanDerWaalsContact C-N 3.31Å; P274-Y276 HydrophobicContact CB-CD1 4.11Å; P274-Y276 HydrophobicContact CB-CD2 4.06Å; P274-Y276 HydrophobicContact CB-CE1 3.68Å; P274-Y276 HydrophobicContact CB-CE2 3.71Å; P274-Y276 HydrophobicContact CB-CG 4.26Å; P274-Y276 VanDerWaalsContact CB-CZ 3.49Å; P274-Y276 VanDerWaalsContact CD-CE2 3.5Å; P274-Y276 WeakPolarHBondContact CD-OH 3.41Å; P274-Y276 HydrophobicContact CG-CE1 3.86Å; P274-Y276 HydrophobicContact CG-CE2 3.69Å; P274-Y276 WeakPolarHBondContact CG-OH 3.11Å; P274-Y276 WeakPolarHBondContact O-CD2 3.02Å; P274-Y276 PolarHBondContact O-N 3.13Å | ||
| 275 | L | 49.4 | Very low | 48.3 | Very low | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -64.8 | 90.6 | 157.8 | -89.9 | 158.7 | 0 | 0 | 0 | 109.3 | Y219 L221 V266 F277 F300 A301 D303 I305 | Y219-L275 PolarHBondContact OH-N 3.39Å; Y219-L275 VanDerWaalsContact OH-N 3.09Å; L221-L275 HydrophobicContact CD1-CB 4.29Å; L221-L275 HydrophobicContact CD1-CD1 3.91Å; V266-L275 HydrophobicContact CB-CD1 4.45Å; V266-L275 HydrophobicContact CG1-CD1 3.77Å; V266-L275 HydrophobicContact CG2-CD1 3.81Å; L275-F277 PolarHBondContact O-N 2.04Å; L275-F300 HydrophobicContact CD2-CB 4.28Å; L275-A301 HydrophobicContact CD1-CB 4.48Å; L275-A301 HydrophobicContact CD2-CB 3.48Å; L275-A301 VanDerWaalsContact CD2-CB 3.48Å; L275-A301 HydrophobicContact CG-CB 4.03Å; L275-D303 HydrophobicContact CD1-CB 4.42Å; L275-I305 HydrophobicContact CD1-CD1 4.1Å; L275-I305 HydrophobicContact CD1-CG1 4.32Å | ||
| 276 | Y | 44.8 | Very low | 46.2 | Very low | 104 Ų | 104 | 64.5 Ų | 64.5 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | trans | -77 | -2.2 | -179.8 | -71.8 | -67 | 0 | 0 | 0 | 115.3 | P274 T475 | P274-Y276 VanDerWaalsContact C-N 3.31Å; P274-Y276 HydrophobicContact CB-CD1 4.11Å; P274-Y276 HydrophobicContact CB-CD2 4.06Å; P274-Y276 HydrophobicContact CB-CE1 3.68Å; P274-Y276 HydrophobicContact CB-CE2 3.71Å; P274-Y276 HydrophobicContact CB-CG 4.26Å; P274-Y276 VanDerWaalsContact CB-CZ 3.49Å; P274-Y276 VanDerWaalsContact CD-CE2 3.5Å; P274-Y276 WeakPolarHBondContact CD-OH 3.41Å; P274-Y276 HydrophobicContact CG-CE1 3.86Å; P274-Y276 HydrophobicContact CG-CE2 3.69Å; P274-Y276 WeakPolarHBondContact CG-OH 3.11Å; P274-Y276 WeakPolarHBondContact O-CD2 3.02Å; P274-Y276 PolarHBondContact O-N 3.13Å; Y276-T475 HydrophobicContact CD1-CG2 4.49Å; Y276-T475 HydrophobicContact CE1-CG2 3.31Å; Y276-T475 WeakPolarHBondContact OH-CB 3.43Å; Y276-T475 WeakPolarHBondContact OH-CG2 3.33Å; Y276-T475 PolarHBondContact OH-OG1 2.82Å | ||
| 277 | F | 35.8 | Very low | 43.8 | Very low | 119 Ų | 119 | 66.3 Ų | 66.3 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | trans | -141.8 | 78.1 | -171.8 | -54.9 | -79.6 | 0 | 0 | 0 | 110.9 | L275 | L275-F277 PolarHBondContact O-N 2.04Š| ||
| 278 | V | 38.3 | Very low | 41.5 | Very low | 48 Ų | 48 | 76.4 Ų | 76.4 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | trans | -101.2 | 96.6 | 160.7 | -173.6 | 0 | 0 | 0 | 0 | 106.2 | L221 A282 | L221-V278 HydrophobicContact CD1-CG2 3.95Å; L221-V278 HydrophobicContact CD2-CG2 4.35Å; L221-V278 HydrophobicContact CG-CG2 4.39Å; V278-A282 HydrophobicContact CG1-CB 3.72Å | ||
| 279 | T | 32.2 | Very low | 39.9 | Very low | 74 Ų | 74 | 83.9 Ų | 83.9 | 45% | 0.454 | 41% | 0.412 | S | S | . | . | trans | -65.6 | 150.8 | 171.5 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | Q281 A282 | T279-Q281 PolarHBondContact O-N 2.81Å; T279-A282 VanDerWaalsContact O-CB 3.3Å; T279-A282 WeakPolarHBondContact O-CB 3.27Å; T279-A282 PolarHBondContact O-N 2.92Å | ||
| 280 | D | 34.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 88 Ų | 88 | 65% | 0.652 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -55.6 | -22 | 177.7 | -86.4 | -32.3 | 0 | 0 | 0 | 113.4 | A282 R283 T284 | D280-A282 VanDerWaalsContact C-N 3.28Å; D280-A282 PolarHBondContact O-N 2.91Å; D280-R283 PolarHBondContact O-N 2.93Å; D280-T284 PolarHBondContact O-N 2.83Å; D280-T284 PolarHBondContact O-OG1 2.78Å |
| 281 | Q | 34.1 | Very low | 37.8 | Very low | 158 Ų | 158 | 88.9 Ų | 88.9 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66 | -26.4 | 172.3 | -72.2 | -174.7 | -3.3 | 0 | 0 | 113.6 | T279 | T279-Q281 PolarHBondContact O-N 2.81Å |
| 282 | A | 34.2 | Very low | 36.8 | Very low | 29 Ų | 29 | 96.6 Ų | 96.6 | 24% | 0.24 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -71.1 | -40 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V278 T279 D280 T284 K285 V286 | V278-A282 HydrophobicContact CG1-CB 3.72Å; T279-A282 VanDerWaalsContact O-CB 3.3Å; T279-A282 WeakPolarHBondContact O-CB 3.27Å; T279-A282 PolarHBondContact O-N 2.92Å; D280-A282 VanDerWaalsContact C-N 3.28Å; D280-A282 PolarHBondContact O-N 2.91Å; A282-T284 PolarHBondContact O-N 2.94Å; A282-K285 PolarHBondContact O-N 2.8Å; A282-V286 WeakPolarHBondContact O-CG2 3.05Å; A282-V286 PolarHBondContact O-N 3.1Å |
| 283 | R | 32.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 99.7 Ų | 99.7 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 175.8 | -81.4 | -177.1 | 172.3 | -179.2 | -2.7 | 112.9 | Y222 D280 K285 V286 | Y222-R283 PolarHBondContact OH-NE 3.41Å; Y222-R283 PolarHBondContact OH-NH2 2.87Å; D280-R283 PolarHBondContact O-N 2.93Å; R283-K285 VanDerWaalsContact C-N 3.28Å; R283-K285 PolarHBondContact O-N 2.92Å; R283-V286 PolarHBondContact O-N 3.14Å |
| 284 | T | 31.1 | Very low | 34.8 | Very low | 88 Ų | 88 | 100 Ų | 100 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74 | -15.5 | -175.6 | -7.1 | 0 | 0 | 0 | 0 | 114.5 | D280 A282 | D280-T284 PolarHBondContact O-N 2.83Å; D280-T284 PolarHBondContact O-OG1 2.78Å; A282-T284 PolarHBondContact O-N 2.94Å |
| 285 | K | 30 | Very low | 33.9 | Very low | 145 Ų | 145 | 106.1 Ų | 106.1 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -100.8 | -13.6 | 177 | -71.9 | -172.9 | 179.8 | 179.3 | 0 | 113.8 | A282 R283 | A282-K285 PolarHBondContact O-N 2.8Å; R283-K285 VanDerWaalsContact C-N 3.28Å; R283-K285 PolarHBondContact O-N 2.92Å |
| 286 | V | 39.2 | Very low | 32.9 | Very low | 62 Ų | 62 | 109.6 Ų | 109.6 | 38% | 0.376 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -80.4 | -20.8 | -175.6 | 167.6 | 0 | 0 | 0 | 0 | 113.2 | A282 R283 | A282-V286 WeakPolarHBondContact O-CG2 3.05Å; A282-V286 PolarHBondContact O-N 3.1Å; R283-V286 PolarHBondContact O-N 3.14Å |
| 287 | C | 30.6 | Very low | 32 | Very low | 37 Ų | 37 | 107.3 Ų | 107.3 | 25% | 0.25 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -137.8 | 76.5 | -178.7 | -87.4 | 0 | 0 | 0 | 0 | 112.9 | Q307 R309 | C287-Q307 PolarHBondContact SG-NE2 2.85Å; C287-Q307 VanDerWaalsContact SG-NE2 3.43Å; C287-Q307 PolarHBondContact SG-OE1 3.32Å; C287-R309 PolarHBondContact SG-NH2 2.92Å |
| 288 | R | 29.3 | Very low | 31.8 | Very low | 212 Ų | 212 | 104.6 Ų | 104.6 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | trans | -142.4 | 10.3 | 171.4 | -133.2 | 179.3 | -137.3 | 179.5 | 6.9 | 119 | ||||
| 289 | I | 35.7 | Very low | 31.4 | Very low | 159 Ų | 159 | 106 Ų | 106 | 82% | 0.815 | 59% | 0.585 | S | S | * | * | trans | -139.6 | 97.2 | 175.2 | -51.4 | 179.2 | 0 | 0 | 0 | 110.3 | ||||
| 290 | C | 31.6 | Very low | 31.5 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 83% | 0.831 | 58% | 0.58 | S | S | * | * | trans | -71.2 | 125.2 | 160.4 | -62.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 291 | G | 29.2 | Very low | 31.8 | Very low | 59 Ų | 59 | 102 Ų | 102 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 107 | 105.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 292 | N | 28.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 96.9 Ų | 96.9 | 90% | 0.898 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 60.3 | 116 | 162.9 | -61.7 | -13.8 | 0 | 0 | 0 | 119.1 | ||
| 293 | A | 31.6 | Very low | 33.8 | Very low | 105 Ų | 105 | 96.1 Ų | 96.1 | 87% | 0.868 | 53% | 0.53 | S | S | * | . | trans | 79.8 | 105.2 | 168 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 294 | L | 30.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 93 Ų | 93 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | trans | -75.2 | 124.4 | 174.4 | -85.4 | 145.8 | 0 | 0 | 0 | 111.9 | L296 | L294-L296 HydrophobicContact CD2-CD1 4.31Š| ||
| 295 | T | 28.4 | Very low | 37.3 | Very low | 143 Ų | 143 | 91 Ų | 91 | 88% | 0.877 | 51% | 0.508 | S | S | * | . | trans | -128.2 | 99.8 | 148.9 | 20.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 296 | L | 28.8 | Very low | 39.6 | Very low | 100 Ų | 100 | 84.8 Ų | 84.8 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | trans | -91.5 | 103.7 | 176.3 | -145.2 | 79.8 | 0 | 0 | 0 | 107.9 | L294 V298 | L294-L296 HydrophobicContact CD2-CD1 4.31Å; L296-V298 VanDerWaalsContact C-N 3.32Å; L296-V298 HydrophobicContact CB-CG2 4.3Å; L296-V298 HydrophobicContact CD2-CG2 3.24Å; L296-V298 HydrophobicContact CG-CG2 3.63Å; L296-V298 PolarHBondContact O-N 3.2Å | ||
| 297 | S | 27.1 | Very low | 41.8 | Very low | 57 Ų | 57 | 84.1 Ų | 84.1 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | trans | -83.2 | 82.2 | 163.3 | 56.4 | 0 | 0 | 0 | 0 | 107.9 | Y299 | S297-Y299 PolarHBondContact O-N 3.36Š| ||
| 298 | V | 30.9 | Very low | 44.5 | Very low | 62 Ų | 62 | 82.3 Ų | 82.3 | 38% | 0.376 | 46% | 0.461 | S | S | . | . | trans | -78.3 | 104.7 | 169.2 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | L296 I305 | L296-V298 VanDerWaalsContact C-N 3.32Å; L296-V298 HydrophobicContact CB-CG2 4.3Å; L296-V298 HydrophobicContact CD2-CG2 3.24Å; L296-V298 HydrophobicContact CG-CG2 3.63Å; L296-V298 PolarHBondContact O-N 3.2Å; V298-I305 HydrophobicContact CG1-CD1 3.96Å | ||
| 299 | Y | 30.2 | Very low | 47.5 | Very low | 77 Ų | 77 | 76.3 Ų | 76.3 | 30% | 0.302 | 44% | 0.439 | S | S | . | . | trans | -72.1 | 141.8 | 155.4 | -66.7 | -103.5 | 0 | 0 | 0 | 106.7 | Y58 G59 S297 | Y58-Y299 PolarHBondContact O-OH 2.76Å; G59-Y299 VanDerWaalsContact CA-OH 3.27Å; G59-Y299 WeakPolarHBondContact CA-OH 3.37Å; G59-Y299 PolarHBondContact N-OH 3.34Å; S297-Y299 PolarHBondContact O-N 3.36Å | ||
| 300 | F | 34.6 | Very low | 50.1 | Low | 77 Ų | 77 | 68.7 Ų | 68.7 | 34% | 0.338 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 88.6 | 116.7 | 171.3 | -49.3 | -76.3 | 0 | 0 | 0 | 116.5 | L275 | L275-F300 HydrophobicContact CD2-CB 4.28Š|
| 301 | A | 39.5 | Very low | 52.7 | Low | 35 Ų | 35 | 65.4 Ų | 65.4 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | trans | 67.4 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L275 D303 | L275-A301 HydrophobicContact CD1-CB 4.48Å; L275-A301 HydrophobicContact CD2-CB 3.48Å; L275-A301 VanDerWaalsContact CD2-CB 3.48Å; L275-A301 HydrophobicContact CG-CB 4.03Å; A301-D303 HydrophobicContact CB-CB 3.9Å; A301-D303 PolarHBondContact O-N 3.47Å; A301-D303 VanDerWaalsContact O-N 3.12Å | ||
| 302 | Q | 51.3 | Low | 54.9 | Low | 51 Ų | 51 | 68.5 Ų | 68.5 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -66.3 | -1.9 | 166.9 | -77.5 | 166.5 | -52.1 | 0 | 0 | 111.2 | D109 Y111 L269 | D109-Q302 PolarHBondContact OD2-NE2 2.75Å; Y111-Q302 VanDerWaalsContact OH-CD 3.31Å; Y111-Q302 PolarHBondContact OH-NE2 3.18Å; Y111-Q302 PolarHBondContact OH-OE1 2.86Å; L269-Q302 HydrophobicContact CB-CB 4.15Å; L269-Q302 VanDerWaalsContact CB-O 3.27Å; L269-Q302 WeakPolarHBondContact CB-O 3.45Å; L269-Q302 WeakPolarHBondContact CD1-O 3.14Å; L269-Q302 WeakPolarHBondContact CG-O 3.42Å |
| 303 | D | 59.7 | Low | 56.7 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | trans | -69.3 | 143.1 | -177.4 | -58.7 | -14.9 | 0 | 0 | 0 | 112.1 | Y219 V266 V267 S268 L269 L275 A301 I305 | Y219-D303 PolarHBondContact OH-OD2 2.89Å; V266-D303 HydrophobicContact CG1-CB 3.46Å; V266-D303 VanDerWaalsContact CG1-CB 3.46Å; V267-D303 WeakPolarHBondContact O-CA 3.35Å; S268-D303 VanDerWaalsContact CA-CG 3.48Å; S268-D303 WeakPolarHBondContact CA-OD1 3.25Å; S268-D303 WeakPolarHBondContact CB-OD1 3.34Å; S268-D303 PolarHBondContact OG-OD1 2.85Å; L269-D303 PolarHBondContact N-OD1 2.86Å; L275-D303 HydrophobicContact CD1-CB 4.42Å; A301-D303 HydrophobicContact CB-CB 3.9Å; A301-D303 PolarHBondContact O-N 3.47Å; A301-D303 VanDerWaalsContact O-N 3.12Å; D303-I305 PolarHBondContact O-N 3.24Å | ||
| 304 | L | 64.5 | Low | 57.6 | Low | 56 Ų | 56 | 66.7 Ų | 66.7 | 29% | 0.293 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 111.9 | 174.2 | 179.3 | 76.4 | 0 | 0 | 0 | 108.6 | V195 V266 V267 | V195-L304 HydrophobicContact CB-CD2 4.5Å; V195-L304 HydrophobicContact CG2-CD2 3.51Å; V266-L304 CarbonylContact C-O 3.41Å; V266-L304 WeakPolarHBondContact CA-O 3.41Å; V267-L304 HydrophobicContact CB-CB 4.24Å; V267-L304 PolarHBondContact N-O 2.04Å; V267-L304 PolarHBondContact O-N 2.89Å |
| 305 | I | 72.4 | Confident | 58.1 | Low | 44 Ų | 44 | 67.7 Ų | 67.7 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.8 | 171 | -52.2 | 179.9 | 0 | 0 | 0 | 108.6 | V265 V266 L275 V298 D303 | V265-I305 CarbonylContact O-C 3.41Å; V265-I305 WeakPolarHBondContact O-CA 3.47Å; V266-I305 HydrophobicContact CG2-CG1 4.42Å; L275-I305 HydrophobicContact CD1-CD1 4.1Å; L275-I305 HydrophobicContact CD1-CG1 4.32Å; V298-I305 HydrophobicContact CG1-CD1 3.96Å; D303-I305 PolarHBondContact O-N 3.24Å |
| 306 | Y | 79.2 | Confident | 58.4 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.2 | 178.7 | 178.5 | -100.4 | 0 | 0 | 0 | 110.3 | V195 S196 H197 V206 V265 A308 | V195-Y306 HydrophobicContact CB-CD1 4.33Å; V195-Y306 HydrophobicContact CB-CD2 3.87Å; V195-Y306 HydrophobicContact CB-CE2 4.3Å; V195-Y306 HydrophobicContact CB-CG 3.86Å; V195-Y306 HydrophobicContact CG1-CD1 3.5Å; V195-Y306 VanDerWaalsContact CG1-CD1 3.5Å; V195-Y306 HydrophobicContact CG1-CD2 3.96Å; V195-Y306 HydrophobicContact CG1-CE1 3.91Å; V195-Y306 HydrophobicContact CG1-CE2 4.36Å; V195-Y306 HydrophobicContact CG1-CG 3.49Å; V195-Y306 VanDerWaalsContact CG1-CG 3.49Å; V195-Y306 WeakPolarHBondContact O-CE2 3.26Å; S196-Y306 WeakPolarHBondContact CA-OH 3.39Å; H197-Y306 HydrophobicContact CB-CE1 4.05Å; H197-Y306 PolarHBondContact N-OH 3.07Å; H197-Y306 AromaticContact ND1-CE1 3.6Å; H197-Y306 AromaticContact ND1-CZ 3.53Å; H197-Y306 PolarHBondContact ND1-OH 3.07Å; V206-Y306 HydrophobicContact CG1-CD1 4.32Å; V265-Y306 PolarHBondContact N-O 3.16Å; V265-Y306 PolarHBondContact O-N 3.21Å; Y306-A308 HydrophobicContact CE1-CB 4.02Å |
| 307 | Q | 85.1 | Confident | 58.8 | Low | 47 Ų | 47 | 68.5 Ų | 68.5 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.2 | 177 | -175.4 | 172.7 | 96.8 | 0 | 0 | 110.3 | I262 L263 D264 C287 R309 | I262-Q307 HydrophobicContact CG2-CG 3.44Å; I262-Q307 VanDerWaalsContact CG2-CG 3.44Å; L263-Q307 CarbonylContact O-C 3.29Å; L263-Q307 VanDerWaalsContact O-CA 3.31Å; L263-Q307 WeakPolarHBondContact O-CA 3.45Å; D264-Q307 WeakPolarHBondContact OD1-CB 3.15Å; D264-Q307 WeakPolarHBondContact OD1-CG 3.31Å; D264-Q307 PolarHBondContact OD1-NE2 3.41Å; C287-Q307 PolarHBondContact SG-NE2 2.85Å; C287-Q307 VanDerWaalsContact SG-NE2 3.43Å; C287-Q307 PolarHBondContact SG-OE1 3.32Å; Q307-R309 HydrophobicContact CG-CG 4.47Å |
| 308 | A | 87 | Confident | 59.3 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 143.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H197 I204 I262 L263 Y306 | H197-A308 HydrophobicContact CB-CB 3.78Å; H197-A308 VanDerWaalsContact CG-CB 3.45Å; H197-A308 WeakPolarHBondContact ND1-CB 3.02Å; I204-A308 HydrophobicContact CG2-CB 3.85Å; I262-A308 WeakPolarHBondContact CA-O 3.48Å; L263-A308 HydrophobicContact CB-CB 4.23Å; L263-A308 HydrophobicContact CD2-CB 4.41Å; L263-A308 PolarHBondContact N-O 3.47Å; L263-A308 PolarHBondContact O-N 2.97Å; Y306-A308 HydrophobicContact CE1-CB 4.02Å |
| 309 | R | 91.4 | Very high | 59.7 | Low | 85 Ų | 85 | 75 Ų | 75 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.4 | 179.3 | -64.5 | -173.7 | 175.7 | -145.1 | -1.8 | 109.7 | H197 E260 Y261 I262 C287 Q307 | H197-R309 PolarHBondContact NE2-O 3.24Å; E260-R309 IonicContact OE2-NH1 3.14Å; E260-R309 PolarHBondContact OE2-NH1 3.46Å; Y261-R309 WeakPolarHBondContact O-CA 2.99Å; I262-R309 HydrophobicContact CG1-CG 4.32Å; C287-R309 PolarHBondContact SG-NH2 2.92Å; Q307-R309 HydrophobicContact CG-CG 4.47Å |
| 310 | C | 90 | Very high | 59.9 | Low | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.9 | -179 | -71 | 0 | 0 | 0 | 0 | 110.9 | C199 I204 F243 Y261 | C199-C310 WeakPolarHBondContact CA-SG 3.47Å; C199-C310 HydrophobicContact CB-CB 3.71Å; C199-C310 WeakPolarHBondContact CB-SG 3.26Å; C199-C310 WeakPolarHBondContact SG-CA 3.04Å; C199-C310 WeakPolarHBondContact SG-CB 3.34Å; C199-C310 CovalentContact SG-SG 2.03Å; C199-C310 PolarHBondContact SG-SG 2.82Å; I204-C310 HydrophobicContact CD1-CB 3.98Å; I204-C310 HydrophobicContact CG1-CB 4.17Å; F243-C310 HydrophobicContact CZ-CB 4.35Å; Y261-C310 PolarHBondContact N-O 2.82Å; Y261-C310 PolarHBondContact O-N 3.45Å |
| 311 | P | 87 | Confident | 60 | Low | 53 Ų | 53 | 82.4 Ų | 82.4 | 34% | 0.344 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.7 | 179 | 27.6 | -33.8 | 0 | 0 | 0 | 111.4 | R313 | P311-R313 PolarHBondContact O-N 3.38Å |
| 312 | R | 76.5 | Confident | 59.7 | Low | 125 Ų | 125 | 84.1 Ų | 84.1 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | trans | -72.4 | 97.2 | 172.9 | -168.7 | -177 | -171.2 | 178.7 | -2.5 | 108.5 | D259 Y261 T314 | D259-R312 WeakPolarHBondContact O-CB 3.21Å; D259-R312 PolarHBondContact O-N 2.64Å; Y261-R312 HydrophobicContact CD2-CB 4.35Å; Y261-R312 HydrophobicContact CE2-CB 3.98Å; Y261-R312 HydrophobicContact CE2-CG 3.79Å; R312-T314 PolarHBondContact O-N 3.41Å | ||
| 313 | R | 64.9 | Low | 58.7 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | trans | -53.9 | 115.4 | -173.4 | -70.1 | -172.4 | -174.9 | -165.9 | 7.7 | 112.3 | E201 P311 | E201-R313 IonicContact OE1-CZ 3.81Å; E201-R313 IonicContact OE1-NH1 2.81Å; E201-R313 PolarHBondContact OE1-NH1 3.26Å; P311-R313 PolarHBondContact O-N 3.38Å | ||
| 314 | T | 50.1 | Low | 57.2 | Low | 138 Ų | 138 | 88.9 Ų | 88.9 | 85% | 0.847 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -114.2 | -3.7 | 146.1 | 36 | 0 | 0 | 0 | 0 | 112.5 | R312 | R312-T314 PolarHBondContact O-N 3.41Š|
| 315 | I | 41.5 | Very low | 55.5 | Low | 146 Ų | 146 | 89.2 Ų | 89.2 | 75% | 0.749 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -145.1 | 141.3 | -174.5 | -53.3 | -179.8 | 0 | 0 | 0 | 110.6 | ||
| 316 | K | 35.5 | Very low | 53.4 | Low | 202 Ų | 202 | 88.5 Ų | 88.5 | 88% | 0.878 | 47% | 0.473 | S | S | * | . | trans | -40.5 | 132.6 | -174.2 | -76 | 175.1 | 173.6 | 177.8 | 0 | 114.2 | D318 | K316-D318 PolarHBondContact O-N 2.8Š| ||
| 317 | L | 37 | Very low | 50.9 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | trans | -84.4 | 106 | -175.3 | -161.3 | 91.5 | 0 | 0 | 0 | 110.8 | C199 | C199-L317 WeakPolarHBondContact O-CD2 3.19Š| ||
| 318 | D | 37.5 | Very low | 48 | Very low | 139 Ų | 139 | 94.1 Ų | 94.1 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | trans | -103 | 136.7 | 154 | -76.7 | -33.6 | 0 | 0 | 0 | 108.5 | K316 | K316-D318 PolarHBondContact O-N 2.8Š| ||
| 319 | S | 38 | Very low | 45.1 | Very low | 116 Ų | 116 | 100.5 Ų | 100.5 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | trans | -35.9 | 125.5 | -173.3 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 320 | Y | 34.3 | Very low | 42 | Very low | 190 Ų | 190 | 103.4 Ų | 103.4 | 75% | 0.745 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.9 | 164.3 | -81.4 | -89.2 | 0 | 0 | 0 | 111.1 | ||
| 321 | P | 37.6 | Very low | 38.9 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 136.7 | -173 | 27.3 | -32.9 | 0 | 0 | 0 | 112.8 | A323 | P321-A323 PolarHBondContact O-N 3Š|
| 322 | S | 33.5 | Very low | 35.9 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 49% | 0.49 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -60 | 124.4 | 169.9 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | S196 T324 | S196-S322 WeakPolarHBondContact CB-OG 3.24Å; S322-T324 PolarHBondContact O-N 2.9Å |
| 323 | A | 30.6 | Very low | 33.6 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 66% | 0.66 | S | S | . | * | trans | -83 | 110.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | P321 V325 | P321-A323 PolarHBondContact O-N 3Å; A323-V325 PolarHBondContact O-N 3.05Å; A323-V325 VanDerWaalsContact O-N 3.14Å | ||
| 324 | T | 28.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 64% | 0.638 | 68% | 0.681 | S | S | * | * | trans | -74.1 | 98.9 | 170.9 | -43.5 | 0 | 0 | 0 | 0 | 109.3 | S322 G326 | S322-T324 PolarHBondContact O-N 2.9Å; T324-G326 PolarHBondContact O-N 3.14Å; T324-G326 VanDerWaalsContact O-N 3.12Å | ||
| 325 | V | 28.5 | Very low | 30.5 | Very low | 63 Ų | 63 | 124.6 Ų | 124.6 | 38% | 0.382 | 68% | 0.684 | S | S | . | * | trans | -83.4 | 81.4 | 161.1 | -172.8 | 0 | 0 | 0 | 0 | 107.4 | A323 | A323-V325 PolarHBondContact O-N 3.05Å; A323-V325 VanDerWaalsContact O-N 3.14Å | ||
| 326 | G | 27 | Very low | 29.7 | Very low | 28 Ų | 28 | 123.6 Ų | 123.6 | 29% | 0.289 | 69% | 0.685 | S | S | . | * | trans | -64.1 | 148.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108 | T324 A328 | T324-G326 PolarHBondContact O-N 3.14Å; T324-G326 VanDerWaalsContact O-N 3.12Å; G326-A328 PolarHBondContact O-N 3.42Å | ||
| 327 | T | 26.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 119.7 Ų | 119.7 | 52% | 0.521 | 68% | 0.678 | S | S | . | * | trans | -37.4 | 116.3 | 164.4 | 29.1 | 0 | 0 | 0 | 0 | 109 | L329 | T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 3.34Å | ||
| 328 | A | 25.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 79% | 0.793 | 70% | 0.698 | S | S | * | * | trans | -60.3 | 99.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | G326 | G326-A328 PolarHBondContact O-N 3.42Š| ||
| 329 | L | 26.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | trans | -73.2 | 147 | 168.6 | -81.1 | 147.4 | 0 | 0 | 0 | 109.7 | T327 | T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 3.34Å | ||
| 330 | H | 25.8 | Very low | 28 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | trans | 56.9 | 119.2 | 140.6 | -78.6 | -56.5 | 0 | 0 | 0 | 121.1 | ||||
| 331 | M | 24.3 | Very low | 27.7 | Very low | 194 Ų | 194 | 124.5 Ų | 124.5 | 96% | 0.956 | 71% | 0.709 | S | S | * | * | trans | -117.4 | 111.3 | 136.5 | -66 | -176.2 | 76.1 | 0 | 0 | 109.2 | ||||
| 332 | R | 25.1 | Very low | 27.3 | Very low | 232 Ų | 232 | 126.6 Ų | 126.6 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -133.3 | 129.9 | 145.3 | -148.6 | 178.1 | -165 | 180 | 5.1 | 107 | ||||
| 333 | P | 26.7 | Very low | 27 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -73.4 | 148.8 | -177.7 | -0.6 | 15.7 | 0 | 0 | 0 | 111.2 | ||||
| 334 | A | 23.1 | Very low | 27 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | -59.5 | 147.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 335 | K | 27.8 | Very low | 27 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 90% | 0.9 | 73% | 0.732 | S | S | * | * | trans | -143.9 | 136.9 | 140.8 | -115.7 | -180 | -176.7 | -178.6 | 0 | 110.7 | ||||
| 336 | T | 24.7 | Very low | 27 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | -64.6 | 153.7 | -165.2 | -36.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 337 | T | 28.7 | Very low | 27.1 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 147.2 | 99.1 | 132.7 | -51.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 338 | T | 25.6 | Very low | 27.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | 56.6 | 109.2 | 104.7 | -22.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 339 | E | 29.4 | Very low | 27.1 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | -165.6 | 163.1 | 80.5 | -86.7 | 176 | 167.8 | 0 | 0 | 113.4 | |||||
| 340 | M | 27.5 | Very low | 27.4 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 167.9 | -163.6 | -97 | 170 | 59.3 | 0 | 0 | 117.1 | ||||
| 341 | P | 29.2 | Very low | 27.4 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -105.9 | 174.7 | -165.5 | 41.1 | -32.5 | 0 | 0 | 0 | 114.2 | ||||
| 342 | L | 28.8 | Very low | 27.6 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -138.6 | 136.6 | 159.4 | -162.6 | 66.4 | 0 | 0 | 0 | 112.4 | ||||
| 343 | S | 26.3 | Very low | 27.6 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -47.7 | 169.4 | 175.6 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 344 | T | 30.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | -178.7 | 127.4 | 72.4 | -43.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 345 | E | 29.8 | Very low | 28.2 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | 44.1 | 154.9 | 134 | -56.8 | 172.6 | 176 | 0 | 0 | 121.6 | ||||
| 346 | M | 28.6 | Very low | 28.5 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | cis | -169 | 170.7 | -14.4 | -109.6 | -167.6 | 71.9 | 0 | 0 | 106.6 | ||||
| 347 | P | 28.6 | Very low | 28.7 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | trans | -100.3 | 172.1 | -161.3 | 39.6 | -33.9 | 0 | 0 | 0 | 114.6 | ||||
| 348 | V | 28.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -131.7 | 128.6 | 163 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 349 | T | 24.5 | Very low | 29 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | trans | -97.3 | 142.7 | 179.2 | -51.2 | 0 | 0 | 0 | 0 | 110 | M351 | T349-M351 HydrophobicContact CG2-CG 4.33Š| ||
| 350 | H | 31.5 | Very low | 28.8 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | trans | -164.5 | 108 | 147.8 | -91.5 | -73.3 | 0 | 0 | 0 | 106.9 | ||||
| 351 | M | 26.1 | Very low | 29 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | 72.1 | 120.3 | 62.8 | -81.5 | -66.2 | -168.9 | 0 | 0 | 116.6 | T349 | T349-M351 HydrophobicContact CG2-CG 4.33Š| |||
| 352 | L | 28.5 | Very low | 28.7 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 83.1 | 115 | 149.2 | -58.7 | 157 | 0 | 0 | 0 | 117.3 | ||||
| 353 | S | 26 | Very low | 28.7 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | 89.7 | 130.4 | 58.5 | -168.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 354 | I | 30.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 156.5 | 96.4 | 139.3 | -77.2 | 154.7 | 0 | 0 | 0 | 109 | ||||
| 355 | V | 31.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | 64.4 | 157.7 | 97.3 | -114.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 356 | P | 33.2 | Very low | 28.2 | Very low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | -126 | -176.9 | -119.5 | 40.9 | -19.4 | 0 | 0 | 0 | 113.9 | |||||
| 357 | D | 29.7 | Very low | 27.9 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -174.9 | 116.2 | 147.5 | -107.3 | -20.4 | 0 | 0 | 0 | 109.8 | ||||
| 358 | M | 27.5 | Very low | 27.8 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | 50.8 | 112.2 | 96.9 | -76.5 | -148.1 | 159.2 | 0 | 0 | 115.8 | |||||
| 359 | T | 32.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | -166.9 | 128.4 | 123.9 | 17.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 360 | A | 26.7 | Very low | 27.7 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -74.1 | 148.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 361 | S | 29.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -137.9 | 120.2 | 150.4 | -169.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 362 | V | 24.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -78.9 | 124.7 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 363 | V | 28.4 | Very low | 27.4 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -137.1 | 91.8 | 157.5 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 364 | R | 26.6 | Very low | 27.3 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 36.7 | 109.1 | 131.3 | -149.3 | 168.3 | -168.9 | 159.1 | 0.6 | 118.1 | ||||
| 365 | A | 22.4 | Very low | 27.2 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 128.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | E | 26.8 | Very low | 26.9 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -99.2 | 102.8 | 162.4 | -78.7 | -175.8 | 167.2 | 0 | 0 | 109.2 | T368 | E366-T368 PolarHBondContact O-N 2.58Š| ||
| 367 | T | 22.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 107 | 164.6 | -14.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 368 | T | 26.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -105.1 | 93 | 164.6 | -14.9 | 0 | 0 | 0 | 0 | 108.9 | E366 M370 | E366-T368 PolarHBondContact O-N 2.58Å; T368-M370 PolarHBondContact O-N 3.14Å | ||
| 369 | T | 23 | Very low | 26.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -54.3 | 110.3 | 159.4 | 39 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 370 | M | 27.9 | Very low | 26.2 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | trans | -105.9 | 101.1 | 159.9 | -76.8 | -118.6 | 73.5 | 0 | 0 | 108.2 | T368 T372 | T368-M370 PolarHBondContact O-N 3.14Å; M370-T372 PolarHBondContact O-N 3.39Å | ||
| 371 | S | 26.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 125.3 | 167.3 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 372 | T | 24.7 | Very low | 28.5 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57 | 127.8 | 161 | 34.2 | 0 | 0 | 0 | 0 | 111.1 | M370 | M370-T372 PolarHBondContact O-N 3.39Š|
| 373 | P | 28 | Very low | 30.9 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 144.5 | 158.8 | 30.6 | -23.5 | 0 | 0 | 0 | 109.6 | I375 | P373-I375 PolarHBondContact O-N 2.82Š|
| 374 | P | 25.1 | Very low | 33.5 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.5 | 179.9 | 31.7 | -29.9 | 0 | 0 | 0 | 108.5 | ||
| 375 | I | 27.5 | Very low | 36.5 | Very low | 158 Ų | 158 | 115.4 Ų | 115.4 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -110.1 | 108.1 | 172.7 | -60.7 | -178.3 | 0 | 0 | 0 | 109.1 | P373 | P373-I375 PolarHBondContact O-N 2.82Š| ||
| 376 | A | 24.3 | Very low | 39.8 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 69% | 0.694 | 65% | 0.651 | S | S | * | * | trans | -21.1 | 134 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S378 | A376-S378 PolarHBondContact O-N 2.94Š| ||
| 377 | N | 23.5 | Very low | 43 | Very low | 176 Ų | 176 | 105.3 Ų | 105.3 | 94% | 0.941 | 62% | 0.624 | S | S | * | * | trans | -50.3 | 105.2 | 154.7 | -81.6 | -21.8 | 0 | 0 | 0 | 110.3 | ||||
| 378 | S | 24.9 | Very low | 46.4 | Very low | 87 Ų | 87 | 99.2 Ų | 99.2 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | trans | -124.6 | 108.6 | 155.5 | 100 | 0 | 0 | 0 | 0 | 107.2 | A376 K380 | A376-S378 PolarHBondContact O-N 2.94Å; S378-K380 PolarHBondContact O-N 3.3Å | ||
| 379 | T | 27.4 | Very low | 49.7 | Very low | 149 Ų | 149 | 94.9 Ų | 94.9 | 91% | 0.914 | 56% | 0.558 | S | S | * | * | trans | -68.5 | 78 | 173.7 | 41.7 | 0 | 0 | 0 | 0 | 109.6 | S381 | T379-S381 PolarHBondContact O-N 2.79Š| ||
| 380 | K | 33.6 | Very low | 53 | Low | 184 Ų | 184 | 90.9 Ų | 90.9 | 80% | 0.8 | 53% | 0.531 | S | S | * | . | trans | -77.8 | 105.2 | 159.3 | -81.9 | -174.3 | 176.7 | -179.5 | 0 | 106.9 | S378 E382 | S378-K380 PolarHBondContact O-N 3.3Å; K380-E382 PolarHBondContact O-N 3.47Å | ||
| 381 | S | 46.5 | Very low | 56 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | trans | -52 | 118.6 | 170.2 | 169.3 | 0 | 0 | 0 | 0 | 109.3 | T379 S411 | T379-S381 PolarHBondContact O-N 2.79Å; S381-S411 PolarHBondContact OG-OG 3.31Å | ||
| 382 | E | 58.7 | Low | 59 | Low | 120 Ų | 120 | 88.2 Ų | 88.2 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | trans | -59.6 | 141.2 | 170.2 | -75.7 | 180 | 159.5 | 0 | 0 | 109.6 | K380 I384 S411 | K380-E382 PolarHBondContact O-N 3.47Å; E382-I384 PolarHBondContact O-N 3.08Å; E382-S411 WeakPolarHBondContact O-CB 3.23Å; E382-S411 PolarHBondContact O-OG 3.39Å | ||
| 383 | P | 74.8 | Confident | 62.2 | Low | 61 Ų | 61 | 88.9 Ų | 88.9 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -69 | -20.2 | -177.8 | 26.6 | -33.7 | 0 | 0 | 0 | 113 | S411 H542 | P383-S411 WeakPolarHBondContact O-CB 3.49Å; P383-S411 PolarHBondContact O-N 2.72Å; P383-H542 VanDerWaalsContact CG-CE1 3.47Å; P383-H542 WeakPolarHBondContact CG-CE1 3.39Å; P383-H542 WeakPolarHBondContact CG-ND1 3.08Å |
| 384 | I | 83 | Confident | 65.2 | Low | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.01 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.2 | 177.9 | -59.5 | -175.6 | 0 | 0 | 0 | 107.7 | E382 F408 T409 L419 I486 H542 V544 | E382-I384 PolarHBondContact O-N 3.08Å; I384-F408 HydrophobicContact CG2-CB 4.35Å; I384-T409 CarbonylContact C-O 3.4Å; I384-T409 WeakPolarHBondContact CA-O 3.22Å; I384-L419 HydrophobicContact CD1-CD2 3.86Å; I384-L419 HydrophobicContact CG1-CD2 4.46Å; I384-L419 HydrophobicContact CG2-CD1 4.44Å; I384-I486 HydrophobicContact CD1-CB 3.82Å; I384-I486 HydrophobicContact CD1-CG2 3.63Å; I384-H542 HydrophobicContact CD1-CB 3.84Å; I384-H542 HydrophobicContact CG1-CB 4.46Å; I384-V544 HydrophobicContact CB-CG1 4.16Å; I384-V544 HydrophobicContact CG2-CG1 4.23Å |
| 385 | A | 88.3 | Confident | 68.5 | Low | 32 Ų | 32 | 82.6 Ų | 82.6 | 26% | 0.264 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F408 T409 | A385-F408 VanDerWaalsContact O-CA 3.31Å; A385-F408 WeakPolarHBondContact O-CA 3.33Å; A385-T409 PolarHBondContact N-O 2.75Å; A385-T409 PolarHBondContact O-N 2.88Å |
| 386 | F | 91.9 | Very high | 71.5 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 5% | 0.048 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.4 | 176.5 | 175.6 | -158.3 | 0 | 0 | 0 | 110.3 | I388 L406 F408 F482 V544 R546 | F386-I388 HydrophobicContact CE2-CG1 3.84Å; F386-I388 HydrophobicContact CZ-CD1 4.24Å; F386-I388 HydrophobicContact CZ-CG1 4Å; F386-L406 HydrophobicContact CE2-CB 4Å; F386-L406 HydrophobicContact CE2-CD2 4.05Å; F386-L406 HydrophobicContact CZ-CD2 4.15Å; F386-F408 HydrophobicContact CB-CD1 4.05Å; F386-F408 HydrophobicContact CB-CE1 4.14Å; F386-F408 HydrophobicContact CD1-CE1 4.05Å; F386-F408 AromaticContact CD2-CD1 3.75Å; F386-F408 HydrophobicContact CD2-CD1 3.75Å; F386-F408 AromaticContact CD2-CE1 3.28Å; F386-F408 HydrophobicContact CD2-CE1 3.28Å; F386-F408 AromaticContact CD2-CZ 3.89Å; F386-F408 HydrophobicContact CD2-CZ 3.89Å; F386-F408 HydrophobicContact CE1-CE1 4.3Å; F386-F408 HydrophobicContact CE2-CD1 4.46Å; F386-F408 AromaticContact CE2-CE1 3.62Å; F386-F408 HydrophobicContact CE2-CE1 3.62Å; F386-F408 AromaticContact CE2-CZ 3.77Å; F386-F408 HydrophobicContact CE2-CZ 3.77Å; F386-F408 AromaticContact CG-CD1 3.95Å; F386-F408 HydrophobicContact CG-CD1 3.95Å; F386-F408 AromaticContact CG-CE1 3.56Å; F386-F408 HydrophobicContact CG-CE1 3.56Å; F386-F408 HydrophobicContact CZ-CE1 4.12Å; F386-F408 HydrophobicContact CZ-CZ 4.25Å; F386-F482 HydrophobicContact CE1-CB 3.73Å; F386-F482 HydrophobicContact CZ-CB 3.7Å; F386-F482 HydrophobicContact CZ-CG 4.29Å; F386-V544 HydrophobicContact CB-CB 3.92Å; F386-V544 HydrophobicContact CB-CG2 3.65Å; F386-V544 HydrophobicContact CD1-CB 4.22Å; F386-V544 HydrophobicContact CD1-CG2 3.69Å; F386-V544 HydrophobicContact CG-CB 4.48Å; F386-V544 HydrophobicContact CG-CG2 3.86Å; F386-R546 HydrophobicContact CD1-CB 3.44Å; F386-R546 VanDerWaalsContact CD1-CB 3.44Å; F386-R546 HydrophobicContact CE1-CB 3.28Å; F386-R546 HydrophobicContact CE2-CB 4.45Å; F386-R546 HydrophobicContact CG-CB 4.12Å; F386-R546 HydrophobicContact CZ-CB 3.83Å |
| 387 | D | 93.8 | Very high | 74.7 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 144.8 | 175.3 | -75.7 | -59.9 | 0 | 0 | 0 | 111.5 | L389 S394 H407 | D387-L389 HydrophobicContact CB-CD2 3.95Å; D387-L389 HydrophobicContact CB-CG 4.49Å; D387-S394 PolarHBondContact OD1-OG 3.47Å; D387-H407 PolarHBondContact N-O 2.04Å; D387-H407 PolarHBondContact O-N 2.89Å |
| 388 | I | 95.1 | Very high | 78 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.6 | 169.8 | -59.5 | 176.2 | 0 | 0 | 0 | 106.7 | F386 S394 V395 I404 L406 F482 R546 L548 | F386-I388 HydrophobicContact CE2-CG1 3.84Å; F386-I388 HydrophobicContact CZ-CD1 4.24Å; F386-I388 HydrophobicContact CZ-CG1 4Å; I388-S394 WeakPolarHBondContact O-CA 3.35Å; I388-V395 HydrophobicContact CG2-CG2 4.31Å; I388-V395 PolarHBondContact O-N 2.75Å; I388-I404 HydrophobicContact CG2-CB 4.27Å; I388-I404 HydrophobicContact CG2-CD1 4.27Å; I388-L406 HydrophobicContact CD1-CD2 4.36Å; I388-L406 HydrophobicContact CG1-CD2 3.93Å; I388-L406 HydrophobicContact CG2-CD2 4.38Å; I388-F482 HydrophobicContact CD1-CD2 3.79Å; I388-F482 HydrophobicContact CD1-CE2 4.12Å; I388-F482 HydrophobicContact CD1-CG 4.32Å; I388-R546 HydrophobicContact CD1-CB 3.95Å; I388-R546 HydrophobicContact CD1-CG 3.82Å; I388-R546 HydrophobicContact CG1-CB 4.32Å; I388-R546 HydrophobicContact CG1-CG 4.04Å; I388-L548 HydrophobicContact CD1-CB 3.96Å; I388-L548 HydrophobicContact CG2-CD1 4.15Å; I388-L548 HydrophobicContact CG2-CD2 4.22Å |
| 389 | L | 95.2 | Very high | 81 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.4 | -174.8 | -48.8 | 176.5 | 0 | 0 | 0 | 110.8 | D387 Q393 I404 T405 H407 | D387-L389 HydrophobicContact CB-CD2 3.95Å; D387-L389 HydrophobicContact CB-CG 4.49Å; L389-Q393 CarbonylContact C-O 3.48Å; L389-Q393 VanDerWaalsContact CA-O 3.23Å; L389-Q393 WeakPolarHBondContact CA-O 3.45Å; L389-I404 CarbonylContact O-C 3.49Å; L389-I404 VanDerWaalsContact O-CA 3.3Å; L389-I404 WeakPolarHBondContact O-CA 3.08Å; L389-T405 PolarHBondContact N-O 2.86Å; L389-T405 PolarHBondContact O-N 2.97Å; L389-H407 HydrophobicContact CD1-CB 3.85Å; L389-H407 HydrophobicContact CG-CB 4.21Å |
| 390 | H | 92.9 | Very high | 83.8 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.9 | 164 | 179.2 | 59.8 | 0 | 0 | 0 | 107.6 | G392 Q393 V395 N402 K403 | H390-G392 PolarHBondContact O-N 2.84Å; H390-Q393 PolarHBondContact N-O 2.89Å; H390-Q393 PolarHBondContact O-N 2.86Å; H390-V395 HydrophobicContact CB-CB 4.49Å; H390-V395 HydrophobicContact CB-CG1 3.81Å; H390-V395 HydrophobicContact CB-CG2 3.86Å; H390-N402 PolarHBondContact CE1-ND2 3.26Å; H390-N402 PolarHBondContact NE2-ND2 2.8Å; H390-K403 PolarHBondContact ND1-O 3.02Å |
| 391 | N | 90.5 | Very high | 86.3 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38.4 | -173 | -58.3 | -27.6 | 0 | 0 | 0 | 113.3 | Q393 | N391-Q393 VanDerWaalsContact C-N 3.29Å; N391-Q393 PolarHBondContact O-N 2.92Å |
| 392 | G | 89.1 | Confident | 88.3 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H390 | H390-G392 PolarHBondContact O-N 2.84Š|
| 393 | Q | 91.2 | Very high | 89.9 | Confident | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.3 | 179.2 | -63.5 | -174 | -8.4 | 0 | 0 | 111.5 | L389 H390 N391 V395 | L389-Q393 CarbonylContact C-O 3.48Å; L389-Q393 VanDerWaalsContact CA-O 3.23Å; L389-Q393 WeakPolarHBondContact CA-O 3.45Å; H390-Q393 PolarHBondContact N-O 2.89Å; H390-Q393 PolarHBondContact O-N 2.86Å; N391-Q393 VanDerWaalsContact C-N 3.29Å; N391-Q393 PolarHBondContact O-N 2.92Å; Q393-V395 PolarHBondContact O-N 2.94Å |
| 394 | S | 92.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.3 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | D387 I388 | D387-S394 PolarHBondContact OD1-OG 3.47Å; I388-S394 WeakPolarHBondContact O-CA 3.35Å |
| 395 | V | 93.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | trans | -119.7 | 146.2 | -175 | -68.7 | 0 | 0 | 0 | 0 | 112 | I388 H390 Q393 L548 | I388-V395 HydrophobicContact CG2-CG2 4.31Å; I388-V395 PolarHBondContact O-N 2.75Å; H390-V395 HydrophobicContact CB-CB 4.49Å; H390-V395 HydrophobicContact CB-CG1 3.81Å; H390-V395 HydrophobicContact CB-CG2 3.86Å; Q393-V395 PolarHBondContact O-N 2.94Å; V395-L548 HydrophobicContact CG2-CD1 4.32Å | ||
| 396 | K | 91.2 | Very high | 91.7 | Very high | 158 Ų | 158 | 52.1 Ų | 52.1 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -97.3 | -21 | 169.5 | -65.4 | -176.8 | -179.6 | 179.1 | 0 | 112.6 | I549 F560 | K396-I549 PolarHBondContact O-N 3.39Å; K396-F560 HydrophobicContact CB-CE1 4.44Å |
| 397 | A | 91.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I549 L557 F560 | A397-I549 CarbonylContact C-O 3.52Å; A397-I549 WeakPolarHBondContact CA-O 3.33Å; A397-I549 HydrophobicContact CB-CB 3.88Å; A397-I549 HydrophobicContact CB-CG2 4.16Å; A397-I549 WeakPolarHBondContact CB-O 3.18Å; A397-L557 HydrophobicContact CB-CD1 3.52Å; A397-F560 HydrophobicContact CB-CD1 3.34Å; A397-F560 HydrophobicContact CB-CE1 3.46Å; A397-F560 VanDerWaalsContact CB-CE1 3.46Å; A397-F560 HydrophobicContact CB-CG 4.26Å; A397-F560 HydrophobicContact CB-CZ 4.46Å |
| 398 | V | 92.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.4 | -179.1 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | N402 I404 A471 L548 I549 V550 V551 | V398-N402 HydrophobicContact CG2-CB 3.57Å; V398-I404 HydrophobicContact CB-CG2 4.33Å; V398-I404 HydrophobicContact CG1-CG2 4.11Å; V398-I404 HydrophobicContact CG2-CG2 3.93Å; V398-A471 HydrophobicContact CG1-CB 3.57Å; V398-L548 HydrophobicContact CG1-CD1 4.19Å; V398-L548 HydrophobicContact CG1-CD2 3.86Å; V398-L548 HydrophobicContact CG1-CG 4.19Å; V398-I549 PolarHBondContact N-O 3.03Å; V398-V550 HydrophobicContact CG1-CG2 3.94Å; V398-V550 CarbonylContact O-C 3.56Å; V398-V550 VanDerWaalsContact O-CA 3.32Å; V398-V550 WeakPolarHBondContact O-CA 3.28Å; V398-V551 WeakPolarHBondContact O-CG2 3.21Å; V398-V551 PolarHBondContact O-N 2.04Å |
| 399 | V | 87.8 | Confident | 91.6 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141 | 171.1 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | N402 V551 V554 L557 | V399-N402 VanDerWaalsContact O-CB 3.31Å; V399-N402 WeakPolarHBondContact O-CB 3.22Å; V399-N402 PolarHBondContact O-N 3.22Å; V399-V551 CarbonylContact C-O 3.51Å; V399-V551 WeakPolarHBondContact CA-O 3.05Å; V399-V551 HydrophobicContact CG2-CG2 4.24Å; V399-V554 HydrophobicContact CG2-CG2 4.13Å; V399-L557 HydrophobicContact CG2-CB 4.21Å; V399-L557 HydrophobicContact CG2-CD2 3.95Å |
| 400 | I | 87.1 | Confident | 90.9 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 140.3 | 170.9 | -166.7 | 173.4 | 0 | 0 | 0 | 110.9 | N402 R473 V550 V551 | I400-N402 VanDerWaalsContact C-N 3.26Å; I400-N402 PolarHBondContact O-N 3.4Å; I400-R473 HydrophobicContact CD1-CG 4.22Å; I400-V550 HydrophobicContact CB-CG1 3.98Å; I400-V550 HydrophobicContact CG1-CG1 4.4Å; I400-V551 PolarHBondContact N-O 3.16Å |
| 401 | G | 85.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E470 A471 | G401-E470 VanDerWaalsContact CA-OE1 3.23Å; G401-E470 WeakPolarHBondContact CA-OE1 3.27Å; G401-E470 WeakPolarHBondContact O-CG 3.3Å; G401-A471 PolarHBondContact N-O 3.21Å |
| 402 | N | 88.8 | Confident | 88.4 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | trans | -74 | 143.5 | 175 | -74.2 | 10.2 | 0 | 0 | 0 | 111.1 | H390 V398 V399 I400 I404 A471 | H390-N402 PolarHBondContact CE1-ND2 3.26Å; H390-N402 PolarHBondContact NE2-ND2 2.8Å; V398-N402 HydrophobicContact CG2-CB 3.57Å; V399-N402 VanDerWaalsContact O-CB 3.31Å; V399-N402 WeakPolarHBondContact O-CB 3.22Å; V399-N402 PolarHBondContact O-N 3.22Å; I400-N402 VanDerWaalsContact C-N 3.26Å; I400-N402 PolarHBondContact O-N 3.4Å; N402-I404 PolarHBondContact O-N 2.87Å; N402-A471 WeakPolarHBondContact O-CB 3.35Å; N402-A471 PolarHBondContact O-N 3.18Å | ||
| 403 | K | 91.1 | Very high | 86.6 | Confident | 136 Ų | 136 | 55 Ų | 55 | 59% | 0.591 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 129.6 | 170.1 | -66.7 | -169.6 | 177.8 | -169.9 | 0 | 111.1 | H390 M469 | H390-K403 PolarHBondContact ND1-O 3.02Å; K403-M469 CarbonylContact C-O 3.45Å; K403-M469 WeakPolarHBondContact CA-O 3.38Å |
| 404 | I | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.7 | 172.3 | 59.8 | 172.8 | 0 | 0 | 0 | 109.9 | I388 L389 V398 N402 V468 M469 A471 F482 L548 | I388-I404 HydrophobicContact CG2-CB 4.27Å; I388-I404 HydrophobicContact CG2-CD1 4.27Å; L389-I404 CarbonylContact O-C 3.49Å; L389-I404 VanDerWaalsContact O-CA 3.3Å; L389-I404 WeakPolarHBondContact O-CA 3.08Å; V398-I404 HydrophobicContact CB-CG2 4.33Å; V398-I404 HydrophobicContact CG1-CG2 4.11Å; V398-I404 HydrophobicContact CG2-CG2 3.93Å; N402-I404 PolarHBondContact O-N 2.87Å; I404-V468 WeakPolarHBondContact O-CA 3.05Å; I404-M469 HydrophobicContact CD1-CG 3.91Å; I404-M469 HydrophobicContact CD1-SD 4.11Å; I404-M469 HydrophobicContact CG1-CG 3.54Å; I404-M469 HydrophobicContact CG1-SD 4.4Å; I404-M469 PolarHBondContact N-O 2.96Å; I404-M469 PolarHBondContact O-N 3.45Å; I404-A471 HydrophobicContact CD1-CB 4.22Å; I404-A471 HydrophobicContact CG1-CB 4.44Å; I404-A471 HydrophobicContact CG2-CB 4.12Å; I404-F482 HydrophobicContact CD1-CZ 4.09Å; I404-L548 HydrophobicContact CD1-CD2 3.73Å |
| 405 | T | 95.5 | Very high | 82.4 | Confident | 35 Ų | 35 | 56 Ų | 56 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 116 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 109.2 | L389 H407 K466 V467 V468 | L389-T405 PolarHBondContact N-O 2.86Å; L389-T405 PolarHBondContact O-N 2.97Å; T405-H407 PolarHBondContact O-N 2.76Å; T405-K466 HydrophobicContact CG2-CB 3.84Å; T405-K466 HydrophobicContact CG2-CD 4.33Å; T405-K466 HydrophobicContact CG2-CG 4.46Å; T405-V467 CarbonylContact C-O 3.56Å; T405-V467 VanDerWaalsContact CA-O 3.3Å; T405-V467 WeakPolarHBondContact CA-O 3.39Å; T405-V468 HydrophobicContact CG2-CG2 4.4Å |
| 406 | L | 95.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 119.5 | 168 | -49.2 | -177.2 | 0 | 0 | 0 | 107 | F386 I388 F408 I442 K466 V467 M469 F482 | F386-L406 HydrophobicContact CE2-CB 4Å; F386-L406 HydrophobicContact CE2-CD2 4.05Å; F386-L406 HydrophobicContact CZ-CD2 4.15Å; I388-L406 HydrophobicContact CD1-CD2 4.36Å; I388-L406 HydrophobicContact CG1-CD2 3.93Å; I388-L406 HydrophobicContact CG2-CD2 4.38Å; L406-F408 HydrophobicContact CB-CE2 3.86Å; L406-F408 HydrophobicContact CB-CZ 3.98Å; L406-I442 HydrophobicContact CD1-CD1 3.86Å; L406-K466 CarbonylContact O-C 3.46Å; L406-K466 WeakPolarHBondContact O-CA 3.32Å; L406-V467 HydrophobicContact CB-CB 4.29Å; L406-V467 PolarHBondContact N-O 3.19Å; L406-V467 PolarHBondContact O-N 3.3Å; L406-M469 HydrophobicContact CD1-SD 4.19Å; L406-M469 HydrophobicContact CG-SD 4.42Å; L406-F482 HydrophobicContact CD1-CD1 3.92Å; L406-F482 HydrophobicContact CD1-CE1 4.04Å; L406-F482 HydrophobicContact CD2-CD1 3.91Å; L406-F482 HydrophobicContact CD2-CE1 3.82Å; L406-F482 HydrophobicContact CD2-CZ 4.38Å |
| 407 | H | 94.5 | Very high | 79 | Confident | 35 Ų | 35 | 52 Ų | 52 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.9 | -175.5 | -171.9 | -139.3 | 0 | 0 | 0 | 110.2 | D387 L389 T405 T409 | D387-H407 PolarHBondContact N-O 2.04Å; D387-H407 PolarHBondContact O-N 2.89Å; L389-H407 HydrophobicContact CD1-CB 3.85Å; L389-H407 HydrophobicContact CG-CB 4.21Å; T405-H407 PolarHBondContact O-N 2.76Å; H407-T409 WeakPolarHBondContact CE1-CG2 3.35Å |
| 408 | F | 92.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.2 | -178 | -52.1 | -82 | 0 | 0 | 0 | 109.1 | I384 A385 F386 L406 L421 G464 V465 C484 I486 V544 | I384-F408 HydrophobicContact CG2-CB 4.35Å; A385-F408 VanDerWaalsContact O-CA 3.31Å; A385-F408 WeakPolarHBondContact O-CA 3.33Å; F386-F408 HydrophobicContact CB-CD1 4.05Å; F386-F408 HydrophobicContact CB-CE1 4.14Å; F386-F408 HydrophobicContact CD1-CE1 4.05Å; F386-F408 AromaticContact CD2-CD1 3.75Å; F386-F408 HydrophobicContact CD2-CD1 3.75Å; F386-F408 AromaticContact CD2-CE1 3.28Å; F386-F408 HydrophobicContact CD2-CE1 3.28Å; F386-F408 AromaticContact CD2-CZ 3.89Å; F386-F408 HydrophobicContact CD2-CZ 3.89Å; F386-F408 HydrophobicContact CE1-CE1 4.3Å; F386-F408 HydrophobicContact CE2-CD1 4.46Å; F386-F408 AromaticContact CE2-CE1 3.62Å; F386-F408 HydrophobicContact CE2-CE1 3.62Å; F386-F408 AromaticContact CE2-CZ 3.77Å; F386-F408 HydrophobicContact CE2-CZ 3.77Å; F386-F408 AromaticContact CG-CD1 3.95Å; F386-F408 HydrophobicContact CG-CD1 3.95Å; F386-F408 AromaticContact CG-CE1 3.56Å; F386-F408 HydrophobicContact CG-CE1 3.56Å; F386-F408 HydrophobicContact CZ-CE1 4.12Å; F386-F408 HydrophobicContact CZ-CZ 4.25Å; L406-F408 HydrophobicContact CB-CE2 3.86Å; L406-F408 HydrophobicContact CB-CZ 3.98Å; F408-L421 HydrophobicContact CE2-CD1 4.09Å; F408-L421 HydrophobicContact CE2-CD2 4.05Å; F408-L421 HydrophobicContact CZ-CD1 4.19Å; F408-G464 WeakPolarHBondContact O-CA 3.15Å; F408-V465 WeakPolarHBondContact CD2-O 3.45Å; F408-V465 PolarHBondContact N-O 3.17Å; F408-V465 PolarHBondContact O-N 2.75Å; F408-C484 HydrophobicContact CE1-CB 3.83Å; F408-C484 HydrophobicContact CZ-CB 3.87Å; F408-I486 HydrophobicContact CB-CG1 4.33Å; F408-I486 HydrophobicContact CD1-CD1 3.58Å; F408-I486 HydrophobicContact CD1-CG1 3.88Å; F408-I486 HydrophobicContact CE1-CD1 3.78Å; F408-I486 HydrophobicContact CE1-CG1 4.35Å; F408-I486 HydrophobicContact CG-CD1 4.25Å; F408-I486 HydrophobicContact CG-CG1 4.03Å; F408-V544 HydrophobicContact CD1-CG2 3.9Å; F408-V544 HydrophobicContact CE1-CG2 3.75Å |
| 409 | T | 89.9 | Confident | 78 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.2 | -179.1 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | I384 A385 H407 S463 | I384-T409 CarbonylContact C-O 3.4Å; I384-T409 WeakPolarHBondContact CA-O 3.22Å; A385-T409 PolarHBondContact N-O 2.75Å; A385-T409 PolarHBondContact O-N 2.88Å; H407-T409 WeakPolarHBondContact CE1-CG2 3.35Å; T409-S463 WeakPolarHBondContact CA-O 3.49Å |
| 410 | A | 81.5 | Confident | 78.1 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | T412 A417 L419 | A410-T412 VanDerWaalsContact C-N 3.26Å; A410-T412 PolarHBondContact O-N 3.23Å; A410-A417 HydrophobicContact CB-CB 3.29Å; A410-L419 HydrophobicContact CB-CD1 4.38Å |
| 411 | S | 68.4 | Low | 78.2 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -79.7 | -7.2 | -177.2 | -146.6 | 0 | 0 | 0 | 0 | 113.1 | S381 E382 P383 | S381-S411 PolarHBondContact OG-OG 3.31Å; E382-S411 WeakPolarHBondContact O-CB 3.23Å; E382-S411 PolarHBondContact O-OG 3.39Å; P383-S411 WeakPolarHBondContact O-CB 3.49Å; P383-S411 PolarHBondContact O-N 2.72Å |
| 412 | T | 61.5 | Low | 78.3 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | trans | -111.7 | 117.5 | -176.1 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | A410 A414 | A410-T412 VanDerWaalsContact C-N 3.26Å; A410-T412 PolarHBondContact O-N 3.23Å; T412-A414 PolarHBondContact O-N 3.18Å | ||
| 413 | N | 51.4 | Low | 78.3 | Confident | 178 Ų | 178 | 51.6 Ų | 51.6 | 95% | 0.952 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 23.4 | -176.6 | -73 | -23 | 0 | 0 | 0 | 116.7 | ||
| 414 | A | 44.3 | Very low | 78.2 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -24.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T412 | T412-A414 PolarHBondContact O-N 3.18Š|
| 415 | M | 52 | Low | 78 | Confident | 152 Ų | 152 | 47.6 Ų | 47.6 | 75% | 0.749 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -162.6 | 158.1 | 174.8 | -80.8 | -160.1 | 170.9 | 0 | 0 | 109 | A417 | M415-A417 PolarHBondContact O-N 2.82Š|
| 416 | P | 54.4 | Low | 77.7 | Confident | 92 Ų | 92 | 46 Ų | 46 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | trans | -57.1 | 106 | 167.9 | 23.3 | -30.7 | 0 | 0 | 0 | 107.7 | H418 | P416-H418 PolarHBondContact O-N 2.91Å; P416-H418 VanDerWaalsContact O-N 3.14Å | ||
| 417 | A | 59.1 | Low | 77.2 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | trans | -63.6 | 122.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A410 M415 L419 | A410-A417 HydrophobicContact CB-CB 3.29Å; M415-A417 PolarHBondContact O-N 2.82Å; A417-L419 HydrophobicContact CB-CD1 4.34Å; A417-L419 HydrophobicContact CB-CD2 3.94Å; A417-L419 HydrophobicContact CB-CG 3.75Å; A417-L419 PolarHBondContact O-N 2.01Å | ||
| 418 | H | 77.5 | Confident | 76.9 | Confident | 106 Ų | 106 | 48 Ų | 48 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | trans | -76.3 | 68.7 | 174.7 | -68.2 | -68.8 | 0 | 0 | 0 | 108.9 | P416 C489 N490 | P416-H418 PolarHBondContact O-N 2.91Å; P416-H418 VanDerWaalsContact O-N 3.14Å; H418-C489 HydrophobicContact CB-CB 4Å; H418-C489 VanDerWaalsContact O-CB 3.26Å; H418-C489 WeakPolarHBondContact O-CB 3.47Å; H418-C489 PolarHBondContact O-N 3.25Å; H418-N490 PolarHBondContact N-OD1 3.1Å; H418-N490 VanDerWaalsContact N-OD1 3.1Å | ||
| 419 | L | 86 | Confident | 76.4 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.1 | 177.6 | -59.6 | -173.5 | 0 | 0 | 0 | 109.5 | I384 A410 A417 V465 I486 R487 N488 | I384-L419 HydrophobicContact CD1-CD2 3.86Å; I384-L419 HydrophobicContact CG1-CD2 4.46Å; I384-L419 HydrophobicContact CG2-CD1 4.44Å; A410-L419 HydrophobicContact CB-CD1 4.38Å; A417-L419 HydrophobicContact CB-CD1 4.34Å; A417-L419 HydrophobicContact CB-CD2 3.94Å; A417-L419 HydrophobicContact CB-CG 3.75Å; A417-L419 PolarHBondContact O-N 2.01Å; L419-V465 HydrophobicContact CB-CG2 3.97Å; L419-V465 WeakPolarHBondContact O-CG2 3.14Å; L419-I486 HydrophobicContact CB-CG2 3.9Å; L419-I486 HydrophobicContact CD1-CG2 4.32Å; L419-I486 HydrophobicContact CD2-CG2 4.08Å; L419-I486 HydrophobicContact CG-CG2 4.31Å; L419-R487 WeakPolarHBondContact CA-O 3.27Å; L419-N488 HydrophobicContact CD2-CB 4.03Å |
| 420 | V | 88.3 | Confident | 75.8 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.085 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.2 | 168.6 | 168.8 | 0 | 0 | 0 | 0 | 108.5 | V422 I486 R487 C494 Q496 | V420-V422 PolarHBondContact O-N 2.83Å; V420-I486 WeakPolarHBondContact O-CA 3.05Å; V420-R487 PolarHBondContact N-O 3.42Å; V420-R487 PolarHBondContact O-N 2.81Å; V420-C494 WeakPolarHBondContact CG2-SG 3.01Å; V420-Q496 VanDerWaalsContact CG2-NE2 3.28Å |
| 421 | L | 89.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 117.3 | 171.3 | -176.6 | 63.8 | 0 | 0 | 0 | 108.7 | F408 C424 I443 G446 P458 V465 V467 C484 I486 | F408-L421 HydrophobicContact CE2-CD1 4.09Å; F408-L421 HydrophobicContact CE2-CD2 4.05Å; F408-L421 HydrophobicContact CZ-CD1 4.19Å; L421-C424 VanDerWaalsContact CD1-SG 3.52Å; L421-I443 HydrophobicContact CD2-CB 4.43Å; L421-I443 HydrophobicContact CD2-CD1 4.46Å; L421-I443 HydrophobicContact CD2-CG1 3.83Å; L421-I443 HydrophobicContact CD2-CG2 4.27Å; L421-I443 HydrophobicContact CG-CG2 4.24Å; L421-G446 WeakPolarHBondContact O-CA 3.38Å; L421-P458 HydrophobicContact CB-CB 4.48Å; L421-P458 HydrophobicContact CB-CG 4.49Å; L421-P458 HydrophobicContact CD2-CG 4.16Å; L421-V465 HydrophobicContact CB-CG1 4.1Å; L421-V467 HydrophobicContact CD2-CG2 3.38Å; L421-C484 HydrophobicContact CD1-CB 4Å; L421-I486 HydrophobicContact CD1-CD1 4.32Å; L421-I486 HydrophobicContact CD1-CG1 3.92Å |
| 422 | V | 87.2 | Confident | 75.4 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -45.1 | -175.5 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | V420 S445 G446 M485 R487 | V420-V422 PolarHBondContact O-N 2.83Å; V422-S445 PolarHBondContact O-N 3.16Å; V422-G446 PolarHBondContact O-N 3.49Å; V422-M485 HydrophobicContact CB-CB 4.38Å; V422-M485 HydrophobicContact CB-CG 4.05Å; V422-M485 HydrophobicContact CB-SD 3.88Å; V422-M485 HydrophobicContact CG1-SD 3.8Å; V422-M485 HydrophobicContact CG2-CG 4.42Å; V422-M485 HydrophobicContact CG2-SD 4.37Å; V422-M485 PolarHBondContact N-O 3.25Å; V422-R487 HydrophobicContact CG2-CB 3.79Å |
| 423 | A | 89 | Confident | 75.8 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 152.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I443 C484 M485 | A423-I443 VanDerWaalsContact CA-O 3.3Å; A423-I443 WeakPolarHBondContact CA-O 3.42Å; A423-C484 CarbonylContact O-C 3.47Å; A423-C484 WeakPolarHBondContact O-CA 3.45Å; A423-M485 PolarHBondContact O-N 3.04Å |
| 424 | C | 89.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.8 | 170.2 | -82 | 0 | 0 | 0 | 0 | 108.7 | L421 I442 I443 S483 C484 | L421-C424 VanDerWaalsContact CD1-SG 3.52Å; C424-I442 HydrophobicContact CB-CD1 3.76Å; C424-I442 HydrophobicContact CB-CG1 3.53Å; C424-I442 WeakPolarHBondContact O-CG1 3.47Å; C424-I442 PolarHBondContact O-N 2.96Å; C424-I443 HydrophobicContact CB-CB 3.96Å; C424-I443 HydrophobicContact CB-CG1 3.95Å; C424-I443 PolarHBondContact N-O 2.85Å; C424-I443 PolarHBondContact O-N 2.81Å; C424-S483 WeakPolarHBondContact CA-O 3.25Å; C424-C484 HydrophobicContact CB-CB 4.19Å; C424-C484 WeakPolarHBondContact CB-SG 3.26Å; C424-C484 WeakPolarHBondContact SG-CB 3.37Å; C424-C484 CovalentContact SG-SG 2.04Å; C424-C484 PolarHBondContact SG-SG 2.94Å |
| 425 | Q | 89.1 | Confident | 77.2 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157 | 172.4 | 67.4 | -175.3 | 28.9 | 0 | 0 | 110.6 | P439 L440 S483 | Q425-P439 HydrophobicContact CB-CB 4.1Å; Q425-P439 HydrophobicContact CG-CB 4.18Å; Q425-L440 CarbonylContact C-O 3.52Å; Q425-L440 WeakPolarHBondContact CA-O 3.01Å; Q425-S483 PolarHBondContact N-O 3.41Å; Q425-S483 PolarHBondContact O-N 3.12Å |
| 426 | I | 90.1 | Very high | 77.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.9 | 177.3 | -56.5 | 168.8 | 0 | 0 | 0 | 107.2 | P439 L440 I442 M469 F472 Y474 V480 L481 F482 | I426-P439 CarbonylContact O-C 3.59Å; I426-P439 VanDerWaalsContact O-CA 3.26Å; I426-P439 WeakPolarHBondContact O-CA 3.29Å; I426-L440 PolarHBondContact N-O 2.6Å; I426-L440 PolarHBondContact O-N 2.89Å; I426-I442 HydrophobicContact CD1-CD1 3.94Å; I426-I442 HydrophobicContact CD1-CG1 4.29Å; I426-I442 HydrophobicContact CD1-CG2 3.61Å; I426-I442 HydrophobicContact CG1-CD1 4.17Å; I426-I442 HydrophobicContact CG1-CG1 4.33Å; I426-I442 HydrophobicContact CG1-CG2 4.27Å; I426-M469 HydrophobicContact CD1-CE 4.08Å; I426-F472 HydrophobicContact CB-CZ 4.39Å; I426-F472 HydrophobicContact CD1-CE1 3.57Å; I426-F472 HydrophobicContact CD1-CE2 4.27Å; I426-F472 HydrophobicContact CD1-CZ 3.28Å; I426-F472 HydrophobicContact CG1-CZ 4.4Å; I426-F472 HydrophobicContact CG2-CZ 4.47Å; I426-Y474 HydrophobicContact CG2-CE2 4.06Å; I426-Y474 PolarHBondContact O-OH 2.9Å; I426-V480 HydrophobicContact CG2-CB 3.81Å; I426-V480 HydrophobicContact CG2-CG1 4.46Å; I426-V480 HydrophobicContact CG2-CG2 4.18Å; I426-L481 WeakPolarHBondContact CA-O 3.49Å; I426-F482 HydrophobicContact CD1-CD1 3.98Å; I426-F482 HydrophobicContact CD1-CE1 3.37Å; I426-F482 HydrophobicContact CD1-CZ 3.78Å; I426-F482 HydrophobicContact CG1-CD1 3.65Å; I426-F482 HydrophobicContact CG1-CE1 3.6Å; I426-F482 HydrophobicContact CG1-CG 4.27Å; I426-F482 HydrophobicContact CG1-CZ 4.15Å |
| 427 | E | 85.5 | Confident | 78.7 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.5 | 176.3 | 64 | -175.1 | 177.5 | 0 | 0 | 111.1 | P439 V480 L481 | E427-P439 HydrophobicContact CB-CB 4.42Å; E427-P439 HydrophobicContact CB-CG 4.42Å; E427-V480 WeakPolarHBondContact O-CA 3Å; E427-L481 HydrophobicContact CG-CB 3.8Å; E427-L481 HydrophobicContact CG-CG 4.4Å; E427-L481 PolarHBondContact N-O 3.35Å; E427-L481 PolarHBondContact O-N 2.98Å; E427-L481 VanDerWaalsContact OE1-CD2 3.28Å; E427-L481 WeakPolarHBondContact OE1-CD2 3.41Å |
| 428 | P | 86.3 | Confident | 79.4 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 10% | 0.104 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 138.6 | 176.3 | 30.6 | -34.2 | 0 | 0 | 0 | 110.7 | E436 Y474 T477 | P428-E436 WeakPolarHBondContact CD-O 3.43Å; P428-E436 HydrophobicContact CG-CG 4.49Å; P428-E436 WeakPolarHBondContact CG-O 3.5Å; P428-Y474 HydrophobicContact CB-CD1 4.33Å; P428-Y474 HydrophobicContact CB-CD2 3.64Å; P428-Y474 HydrophobicContact CB-CE2 4.09Å; P428-Y474 HydrophobicContact CB-CG 3.76Å; P428-Y474 HydrophobicContact CG-CD1 4.47Å; P428-Y474 HydrophobicContact CG-CD2 4.31Å; P428-Y474 HydrophobicContact CG-CE1 4.47Å; P428-Y474 HydrophobicContact CG-CE2 4.36Å; P428-Y474 HydrophobicContact CG-CG 4.35Å; P428-T477 HydrophobicContact CB-CG2 3.45Å; P428-T477 VanDerWaalsContact CB-CG2 3.45Å |
| 429 | I | 83.9 | Confident | 79.3 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -89.7 | 127.9 | 168.7 | -58.4 | 175.9 | 0 | 0 | 0 | 108.3 | S431 T477 E479 L481 K547 | I429-S431 VanDerWaalsContact C-N 3.29Å; I429-S431 PolarHBondContact O-N 3.29Å; I429-T477 WeakPolarHBondContact O-CB 3.2Å; I429-T477 WeakPolarHBondContact O-CG2 3.27Å; I429-T477 PolarHBondContact O-OG1 3Å; I429-E479 HydrophobicContact CB-CB 3.79Å; I429-E479 HydrophobicContact CD1-CB 4.29Å; I429-E479 HydrophobicContact CG1-CB 4.44Å; I429-E479 HydrophobicContact CG2-CB 4.42Å; I429-E479 WeakPolarHBondContact CG2-OE2 3.35Å; I429-E479 PolarHBondContact N-O 3.37Å; I429-L481 HydrophobicContact CD1-CB 3.97Å; I429-L481 HydrophobicContact CG1-CB 3.86Å; I429-K547 HydrophobicContact CD1-CB 4.17Å; I429-K547 HydrophobicContact CD1-CD 3.62Å; I429-K547 HydrophobicContact CD1-CG 3.61Å |
| 430 | N | 77.7 | Confident | 79.2 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 73% | 0.727 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 59.1 | 28 | 175.8 | -60.3 | -34.9 | 0 | 0 | 0 | 115.6 | P432 | N430-P432 WeakPolarHBondContact O-CD 3.44Š|
| 431 | S | 71.8 | Confident | 79 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | trans | -60.9 | 127.7 | 171.5 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | I429 Y433 E436 R437 T476 | I429-S431 VanDerWaalsContact C-N 3.29Å; I429-S431 PolarHBondContact O-N 3.29Å; S431-Y433 PolarHBondContact O-N 3.03Å; S431-Y433 PolarHBondContact OG-N 2.69Å; S431-Y433 PolarHBondContact OG-O 2.91Å; S431-E436 WeakPolarHBondContact OG-CB 3.31Å; S431-E436 PolarHBondContact OG-OE2 2.83Å; S431-R437 PolarHBondContact O-NH1 3.33Å; S431-R437 PolarHBondContact O-NH2 3.37Å; S431-T476 PolarHBondContact OG-OG1 3.37Å; S431-T476 VanDerWaalsContact OG-OG1 3.11Å | ||
| 432 | P | 68.4 | Low | 78.9 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -69.8 | -18 | 176.8 | 23.9 | -26.5 | 0 | 0 | 0 | 112.1 | N430 R437 T476 | N430-P432 WeakPolarHBondContact O-CD 3.44Å; P432-R437 PolarHBondContact O-NH2 2.85Å; P432-T476 WeakPolarHBondContact CD-OG1 3.45Å |
| 433 | Y | 69.6 | Low | 79 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -105.5 | 127.3 | -172.9 | -56.1 | -85.7 | 0 | 0 | 0 | 112.4 | S431 W435 E436 T476 | S431-Y433 PolarHBondContact O-N 3.03Å; S431-Y433 PolarHBondContact OG-N 2.69Å; S431-Y433 PolarHBondContact OG-O 2.91Å; Y433-W435 VanDerWaalsContact C-N 3.26Å; Y433-W435 VanDerWaalsContact CB-NE1 3.32Å; Y433-W435 AromaticContact CD1-NE1 3.8Å; Y433-W435 HydrophobicContact CD2-CZ2 4.36Å; Y433-W435 HydrophobicContact CG-CZ2 4.15Å; Y433-W435 AromaticContact CG-NE1 3.7Å; Y433-W435 PolarHBondContact O-N 3.11Å; Y433-E436 PolarHBondContact O-N 2.98Å; Y433-T476 HydrophobicContact CD2-CG2 3.37Å; Y433-T476 HydrophobicContact CE2-CG2 3.42Å; Y433-T476 VanDerWaalsContact CE2-CG2 3.42Å |
| 434 | A | 65.4 | Low | 78.9 | Confident | 77 Ų | 77 | 60 Ų | 60 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -59.4 | -32.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E436 R437 | A434-E436 VanDerWaalsContact C-N 3.28Å; A434-E436 PolarHBondContact O-N 3.27Å; A434-R437 PolarHBondContact O-N 2.82Å |
| 435 | W | 60.6 | Low | 78.6 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -72 | -20.3 | -178.1 | 57.9 | -102.1 | 0 | 0 | 0 | 113.9 | Y433 | Y433-W435 VanDerWaalsContact C-N 3.26Å; Y433-W435 VanDerWaalsContact CB-NE1 3.32Å; Y433-W435 AromaticContact CD1-NE1 3.8Å; Y433-W435 HydrophobicContact CD2-CZ2 4.36Å; Y433-W435 HydrophobicContact CG-CZ2 4.15Å; Y433-W435 AromaticContact CG-NE1 3.7Å; Y433-W435 PolarHBondContact O-N 3.11Å |
| 436 | E | 64.9 | Low | 78.4 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -88.6 | -17.3 | -179.6 | -160.5 | 171.7 | -154 | 0 | 0 | 111.5 | P428 S431 Y433 A434 D438 Y474 T475 T476 | P428-E436 WeakPolarHBondContact CD-O 3.43Å; P428-E436 HydrophobicContact CG-CG 4.49Å; P428-E436 WeakPolarHBondContact CG-O 3.5Å; S431-E436 WeakPolarHBondContact OG-CB 3.31Å; S431-E436 PolarHBondContact OG-OE2 2.83Å; Y433-E436 PolarHBondContact O-N 2.98Å; A434-E436 VanDerWaalsContact C-N 3.28Å; A434-E436 PolarHBondContact O-N 3.27Å; E436-D438 PolarHBondContact O-N 2.89Å; E436-Y474 HydrophobicContact CG-CD1 3.39Å; E436-Y474 HydrophobicContact CG-CE1 4.12Å; E436-Y474 HydrophobicContact CG-CG 4.1Å; E436-Y474 WeakPolarHBondContact OE1-CB 3.31Å; E436-T475 PolarHBondContact OE1-N 2.89Å; E436-T475 PolarHBondContact OE1-OG1 3.47Å; E436-T476 PolarHBondContact OE1-N 2.7Å; E436-T476 VanDerWaalsContact OE2-CB 3.25Å; E436-T476 WeakPolarHBondContact OE2-CB 3.3Å; E436-T476 WeakPolarHBondContact OE2-CG2 3.3Å; E436-T476 PolarHBondContact OE2-OG1 3.05Å |
| 437 | R | 73.3 | Confident | 78.4 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | trans | -71.1 | -7 | -178.3 | -57 | -177.9 | -153.3 | -111.1 | -0.1 | 113.9 | S431 P432 A434 P439 | S431-R437 PolarHBondContact O-NH1 3.33Å; S431-R437 PolarHBondContact O-NH2 3.37Å; P432-R437 PolarHBondContact O-NH2 2.85Å; A434-R437 PolarHBondContact O-N 2.82Å; R437-P439 VanDerWaalsContact O-CD 3.31Å; R437-P439 WeakPolarHBondContact O-CD 2.85Å | ||
| 438 | D | 72.4 | Confident | 78.5 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -68.2 | 120.3 | 176.1 | -75.1 | -17.2 | 0 | 0 | 0 | 109.7 | E436 L440 | E436-D438 PolarHBondContact O-N 2.89Å; D438-L440 PolarHBondContact O-N 3.17Å |
| 439 | P | 76.8 | Confident | 78.2 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | trans | -65.5 | 133.7 | -177.8 | -22 | 33.4 | 0 | 0 | 0 | 112.1 | Q425 I426 E427 R437 | Q425-P439 HydrophobicContact CB-CB 4.1Å; Q425-P439 HydrophobicContact CG-CB 4.18Å; I426-P439 CarbonylContact O-C 3.59Å; I426-P439 VanDerWaalsContact O-CA 3.26Å; I426-P439 WeakPolarHBondContact O-CA 3.29Å; E427-P439 HydrophobicContact CB-CB 4.42Å; E427-P439 HydrophobicContact CB-CG 4.42Å; R437-P439 VanDerWaalsContact O-CD 3.31Å; R437-P439 WeakPolarHBondContact O-CD 2.85Å | ||
| 440 | L | 82.5 | Confident | 77.3 | Confident | 86 Ų | 86 | 59.9 Ų | 59.9 | 45% | 0.45 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.5 | 174.1 | -179.8 | 57.6 | 0 | 0 | 0 | 109.8 | Q425 I426 D438 I442 F472 Y474 | Q425-L440 CarbonylContact C-O 3.52Å; Q425-L440 WeakPolarHBondContact CA-O 3.01Å; I426-L440 PolarHBondContact N-O 2.6Å; I426-L440 PolarHBondContact O-N 2.89Å; D438-L440 PolarHBondContact O-N 3.17Å; L440-I442 PolarHBondContact O-N 3.38Å; L440-F472 HydrophobicContact CD2-CE1 4.42Å; L440-F472 HydrophobicContact CD2-CE2 3.8Å; L440-F472 HydrophobicContact CD2-CZ 3.53Å; L440-Y474 PolarHBondContact N-OH 3.25Å |
| 441 | Q | 84.4 | Confident | 76.3 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.6 | 174.3 | -66.4 | -178.2 | 8.5 | 0 | 0 | 110.2 | R444 A449 | Q441-R444 VanDerWaalsContact OE1-CZ 3.26Å; Q441-A449 HydrophobicContact CB-CB 4.47Å |
| 442 | I | 88.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -25.2 | 176 | 53 | 159 | 0 | 0 | 0 | 112.6 | L406 C424 I426 L440 Q448 A449 V455 M469 F472 F482 | L406-I442 HydrophobicContact CD1-CD1 3.86Å; C424-I442 HydrophobicContact CB-CD1 3.76Å; C424-I442 HydrophobicContact CB-CG1 3.53Å; C424-I442 WeakPolarHBondContact O-CG1 3.47Å; C424-I442 PolarHBondContact O-N 2.96Å; I426-I442 HydrophobicContact CD1-CD1 3.94Å; I426-I442 HydrophobicContact CD1-CG1 4.29Å; I426-I442 HydrophobicContact CD1-CG2 3.61Å; I426-I442 HydrophobicContact CG1-CD1 4.17Å; I426-I442 HydrophobicContact CG1-CG1 4.33Å; I426-I442 HydrophobicContact CG1-CG2 4.27Å; L440-I442 PolarHBondContact O-N 3.38Å; I442-Q448 WeakPolarHBondContact O-CA 3.35Å; I442-A449 PolarHBondContact O-N 3.34Å; I442-V455 HydrophobicContact CB-CG2 4.06Å; I442-V455 HydrophobicContact CG2-CG2 4.12Å; I442-M469 HydrophobicContact CD1-SD 4.06Å; I442-F472 HydrophobicContact CG2-CE1 4.43Å; I442-F482 HydrophobicContact CD1-CD1 4.3Å; I442-F482 HydrophobicContact CD1-CE1 4.21Å |
| 443 | I | 89.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.7 | 171.6 | -56.7 | -67.7 | 0 | 0 | 0 | 107.8 | L421 A423 C424 C447 Q448 V455 P458 V467 | L421-I443 HydrophobicContact CD2-CB 4.43Å; L421-I443 HydrophobicContact CD2-CD1 4.46Å; L421-I443 HydrophobicContact CD2-CG1 3.83Å; L421-I443 HydrophobicContact CD2-CG2 4.27Å; L421-I443 HydrophobicContact CG-CG2 4.24Å; A423-I443 VanDerWaalsContact CA-O 3.3Å; A423-I443 WeakPolarHBondContact CA-O 3.42Å; C424-I443 HydrophobicContact CB-CB 3.96Å; C424-I443 HydrophobicContact CB-CG1 3.95Å; C424-I443 PolarHBondContact N-O 2.85Å; C424-I443 PolarHBondContact O-N 2.81Å; I443-C447 CarbonylContact C-O 3.53Å; I443-C447 VanDerWaalsContact CA-O 3.25Å; I443-C447 WeakPolarHBondContact CA-O 3.38Å; I443-C447 WeakPolarHBondContact CG2-O 3.26Å; I443-Q448 HydrophobicContact CD1-CB 4.38Å; I443-V455 HydrophobicContact CD1-CG1 3.97Å; I443-P458 HydrophobicContact CD1-CG 4Å; I443-V467 HydrophobicContact CD1-CG1 4.19Å; I443-V467 HydrophobicContact CD1-CG2 4.45Å |
| 444 | R | 86 | Confident | 76 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128 | 176.5 | -178.9 | -176.5 | -69.1 | -179.5 | -1.1 | 109 | Q441 G446 C447 A449 F530 | Q441-R444 VanDerWaalsContact OE1-CZ 3.26Å; R444-G446 PolarHBondContact O-N 2.85Å; R444-G446 VanDerWaalsContact O-N 3.13Å; R444-C447 PolarHBondContact N-O 3.27Å; R444-C447 PolarHBondContact O-N 3.06Å; R444-C447 VanDerWaalsContact O-O 3.12Å; R444-A449 HydrophobicContact CB-CB 3.72Å; R444-F530 HydrophobicContact CG-CE2 4.2Å; R444-F530 HydrophobicContact CG-CZ 4.46Å |
| 445 | S | 83.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 35.8 | -179.6 | -54 | 0 | 0 | 0 | 0 | 112.9 | V422 C447 P497 | V422-S445 PolarHBondContact O-N 3.16Å; S445-C447 VanDerWaalsContact C-N 3.3Å; S445-C447 PolarHBondContact O-N 3.18Å; S445-P497 WeakPolarHBondContact O-CB 3.34Å |
| 446 | G | 86.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 6.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | L421 V422 R444 P458 P497 | L421-G446 WeakPolarHBondContact O-CA 3.38Å; V422-G446 PolarHBondContact O-N 3.49Å; R444-G446 PolarHBondContact O-N 2.85Å; R444-G446 VanDerWaalsContact O-N 3.13Å; G446-P458 WeakPolarHBondContact O-CD 3.34Å; G446-P458 WeakPolarHBondContact O-CG 3.38Å; G446-P497 VanDerWaalsContact O-CG 3.25Å; G446-P497 WeakPolarHBondContact O-CG 3.45Å |
| 447 | C | 89.8 | Confident | 79.8 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 158.3 | 169.7 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | I443 R444 S445 A449 C499 | I443-C447 CarbonylContact C-O 3.53Å; I443-C447 VanDerWaalsContact CA-O 3.25Å; I443-C447 WeakPolarHBondContact CA-O 3.38Å; I443-C447 WeakPolarHBondContact CG2-O 3.26Å; R444-C447 PolarHBondContact N-O 3.27Å; R444-C447 PolarHBondContact O-N 3.06Å; R444-C447 VanDerWaalsContact O-O 3.12Å; S445-C447 VanDerWaalsContact C-N 3.3Å; S445-C447 PolarHBondContact O-N 3.18Å; C447-A449 PolarHBondContact O-N 2.9Å; C447-C499 WeakPolarHBondContact CA-SG 3.12Å; C447-C499 HydrophobicContact CB-CB 3.81Å; C447-C499 WeakPolarHBondContact CB-SG 3.39Å; C447-C499 WeakPolarHBondContact SG-CA 3.4Å; C447-C499 WeakPolarHBondContact SG-CB 3.02Å; C447-C499 CovalentContact SG-SG 2.05Å; C447-C499 PolarHBondContact SG-SG 3.48Å |
| 448 | Q | 87.7 | Confident | 80.7 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 128.8 | 172 | 74.2 | -75.2 | -2.3 | 0 | 0 | 110.7 | I442 I443 D450 V455 P500 V502 | I442-Q448 WeakPolarHBondContact O-CA 3.35Å; I443-Q448 HydrophobicContact CD1-CB 4.38Å; Q448-D450 WeakPolarHBondContact CB-OD1 3.48Å; Q448-V455 HydrophobicContact CB-CB 4.37Å; Q448-V455 HydrophobicContact CB-CG1 4.36Å; Q448-P500 PolarHBondContact NE2-O 3.49Å; Q448-V502 HydrophobicContact CG-CG2 3.73Å |
| 449 | A | 79.3 | Confident | 81.4 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | trans | -101 | -5.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q441 I442 R444 C447 G451 | Q441-A449 HydrophobicContact CB-CB 4.47Å; I442-A449 PolarHBondContact O-N 3.34Å; R444-A449 HydrophobicContact CB-CB 3.72Å; C447-A449 PolarHBondContact O-N 2.9Å; A449-G451 PolarHBondContact O-N 3.05Å | ||
| 450 | D | 64.4 | Low | 81.9 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | trans | -82.7 | 108.4 | -178.9 | 70 | -46.4 | 0 | 0 | 0 | 109.6 | Q448 V452 G453 L454 V455 | Q448-D450 WeakPolarHBondContact CB-OD1 3.48Å; D450-V452 HydrophobicContact CB-CG2 4.04Å; D450-V452 PolarHBondContact O-N 2.98Å; D450-G453 PolarHBondContact OD2-N 2.79Å; D450-L454 VanDerWaalsContact OD2-CA 3.32Å; D450-L454 WeakPolarHBondContact OD2-CA 2.88Å; D450-L454 PolarHBondContact OD2-N 3.34Å; D450-V455 HydrophobicContact CB-CG2 4.17Å; D450-V455 WeakPolarHBondContact OD1-CB 3.13Å; D450-V455 PolarHBondContact OD2-N 3.33Å | ||
| 451 | G | 56.6 | Low | 81.9 | Confident | 80 Ų | 80 | 40.5 Ų | 40.5 | 83% | 0.825 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 9.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A449 | A449-G451 PolarHBondContact O-N 3.05Š|
| 452 | V | 59 | Low | 81.7 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -7.9 | -169.4 | -69.1 | 0 | 0 | 0 | 0 | 114.2 | D450 L454 | D450-V452 HydrophobicContact CB-CG2 4.04Å; D450-V452 PolarHBondContact O-N 2.98Å; V452-L454 HydrophobicContact CG2-CB 4.35Å; V452-L454 HydrophobicContact CG2-CD1 3.72Å; V452-L454 HydrophobicContact CG2-CG 3.75Å |
| 453 | G | 66.8 | Low | 81.3 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 75.8 | 26.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D450 | D450-G453 PolarHBondContact OD2-N 2.79Š|
| 454 | L | 78.7 | Confident | 81.2 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -82.8 | -18.5 | 171.6 | -63.2 | 175.5 | 0 | 0 | 0 | 112.8 | D450 V452 M469 E470 | D450-L454 VanDerWaalsContact OD2-CA 3.32Å; D450-L454 WeakPolarHBondContact OD2-CA 2.88Å; D450-L454 PolarHBondContact OD2-N 3.34Å; V452-L454 HydrophobicContact CG2-CB 4.35Å; V452-L454 HydrophobicContact CG2-CD1 3.72Å; V452-L454 HydrophobicContact CG2-CG 3.75Å; L454-M469 CarbonylContact O-C 3.57Å; L454-M469 WeakPolarHBondContact O-CA 3.45Å; L454-M469 VanDerWaalsContact O-CB 3.29Å; L454-M469 WeakPolarHBondContact O-CB 3.38Å; L454-E470 HydrophobicContact CD2-CB 4.17Å; L454-E470 PolarHBondContact O-N 3.49Å |
| 455 | V | 88.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -126.3 | 128.8 | -175.2 | -172 | 0 | 0 | 0 | 0 | 109.2 | I442 I443 Q448 D450 V467 M469 | I442-V455 HydrophobicContact CB-CG2 4.06Å; I442-V455 HydrophobicContact CG2-CG2 4.12Å; I443-V455 HydrophobicContact CD1-CG1 3.97Å; Q448-V455 HydrophobicContact CB-CB 4.37Å; Q448-V455 HydrophobicContact CB-CG1 4.36Å; D450-V455 HydrophobicContact CB-CG2 4.17Å; D450-V455 WeakPolarHBondContact OD1-CB 3.13Å; D450-V455 PolarHBondContact OD2-N 3.33Å; V455-V467 HydrophobicContact CG1-CG1 3.55Å; V455-M469 HydrophobicContact CB-CB 4.24Å; V455-M469 HydrophobicContact CG1-CB 4.24Å; V455-M469 HydrophobicContact CG2-CB 3.92Å; V455-M469 HydrophobicContact CG2-CE 4.44Å |
| 456 | C | 91.2 | Very high | 82 | Confident | 15 Ų | 15 | 41 Ų | 41 | 10% | 0.101 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 155.6 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | V467 V468 C505 | C456-V467 WeakPolarHBondContact O-CG1 3.3Å; C456-V468 HydrophobicContact CB-CB 4.36Å; C456-V468 WeakPolarHBondContact CB-O 3.47Å; C456-V468 PolarHBondContact N-O 3.08Å; C456-C505 WeakPolarHBondContact CA-SG 3.47Å; C456-C505 HydrophobicContact CB-CB 3.9Å; C456-C505 WeakPolarHBondContact CB-SG 3.41Å; C456-C505 WeakPolarHBondContact SG-CB 3.09Å; C456-C505 CovalentContact SG-SG 2.04Å; C456-C505 PolarHBondContact SG-SG 2.05Å |
| 457 | P | 90.5 | Very high | 82.3 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 145.9 | 169.4 | -22.3 | 29.9 | 0 | 0 | 0 | 111.8 | E459 C499 V502 | P457-E459 PolarHBondContact O-N 3.29Å; P457-C499 HydrophobicContact CB-CB 4.01Å; P457-C499 HydrophobicContact CG-CB 4.27Å; P457-V502 HydrophobicContact CG-CG2 4.46Å |
| 458 | P | 91.7 | Very high | 82.5 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60 | 130.5 | 175.6 | -24.1 | 34.8 | 0 | 0 | 0 | 112.8 | L421 I443 G446 V465 V467 | L421-P458 HydrophobicContact CB-CB 4.48Å; L421-P458 HydrophobicContact CB-CG 4.49Å; L421-P458 HydrophobicContact CD2-CG 4.16Å; I443-P458 HydrophobicContact CD1-CG 4Å; G446-P458 WeakPolarHBondContact O-CD 3.34Å; G446-P458 WeakPolarHBondContact O-CG 3.38Å; P458-V465 HydrophobicContact CB-CG1 3.88Å; P458-V467 HydrophobicContact CB-CG2 3.99Å; P458-V467 HydrophobicContact CG-CG2 4.03Å |
| 459 | E | 88.6 | Confident | 82.7 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.8 | 178.5 | -66.6 | -178.1 | -174.8 | 0 | 0 | 110.2 | P457 V465 K466 Q509 | P457-E459 PolarHBondContact O-N 3.29Å; E459-V465 CarbonylContact O-C 3.55Å; E459-V465 WeakPolarHBondContact O-CA 3.22Å; E459-K466 HydrophobicContact CB-CG 3.89Å; E459-K466 PolarHBondContact N-O 3.06Å; E459-K466 PolarHBondContact O-N 2.87Å; E459-K466 WeakPolarHBondContact OE2-CE 3.38Å; E459-K466 IonicContact OE2-NZ 2.83Å; E459-K466 PolarHBondContact OE2-NZ 3.24Å; E459-Q509 PolarHBondContact OE1-NE2 2.9Å |
| 460 | K | 85.7 | Confident | 83.2 | Confident | 123 Ų | 123 | 42.8 Ų | 42.8 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137 | 170.1 | -72.4 | -174.5 | 174.4 | 177.5 | 0 | 110.4 | ||
| 461 | T | 84 | Confident | 84.4 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 166.9 | 170.3 | 69 | 0 | 0 | 0 | 0 | 109.3 | S463 G464 K466 | T461-S463 PolarHBondContact O-N 3.15Å; T461-S463 VanDerWaalsContact O-N 3.14Å; T461-S463 PolarHBondContact OG1-N 3.08Å; T461-S463 PolarHBondContact OG1-OG 3.3Å; T461-G464 PolarHBondContact N-O 3.02Å; T461-G464 PolarHBondContact O-N 3.48Å; T461-G464 VanDerWaalsContact OG1-C 3.28Å; T461-G464 PolarHBondContact OG1-N 3.38Å; T461-G464 PolarHBondContact OG1-O 3.28Å; T461-K466 HydrophobicContact CG2-CB 3.97Å; T461-K466 HydrophobicContact CG2-CD 3.58Å; T461-K466 HydrophobicContact CG2-CG 3.57Å |
| 462 | S | 80.5 | Confident | 85.8 | Confident | 117 Ų | 117 | 40 Ų | 40 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22 | 174.9 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||
| 463 | S | 79.9 | Confident | 87 | Confident | 53 Ų | 53 | 39 Ų | 39 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -2 | -175.2 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | T409 T461 | T409-S463 WeakPolarHBondContact CA-O 3.49Å; T461-S463 PolarHBondContact O-N 3.15Å; T461-S463 VanDerWaalsContact O-N 3.14Å; T461-S463 PolarHBondContact OG1-N 3.08Å; T461-S463 PolarHBondContact OG1-OG 3.3Å |
| 464 | G | 87.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.5 | -128.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F408 T461 | F408-G464 WeakPolarHBondContact O-CA 3.15Å; T461-G464 PolarHBondContact N-O 3.02Å; T461-G464 PolarHBondContact O-N 3.48Å; T461-G464 VanDerWaalsContact OG1-C 3.28Å; T461-G464 PolarHBondContact OG1-N 3.38Å; T461-G464 PolarHBondContact OG1-O 3.28Å |
| 465 | V | 91.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.5 | -175.8 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | F408 L419 L421 P458 E459 | F408-V465 WeakPolarHBondContact CD2-O 3.45Å; F408-V465 PolarHBondContact N-O 3.17Å; F408-V465 PolarHBondContact O-N 2.75Å; L419-V465 HydrophobicContact CB-CG2 3.97Å; L419-V465 WeakPolarHBondContact O-CG2 3.14Å; L421-V465 HydrophobicContact CB-CG1 4.1Å; P458-V465 HydrophobicContact CB-CG1 3.88Å; E459-V465 CarbonylContact O-C 3.55Å; E459-V465 WeakPolarHBondContact O-CA 3.22Å |
| 466 | K | 93.3 | Very high | 86.3 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152 | 171.6 | 69.8 | 179.3 | 172.8 | 149.9 | 0 | 111.6 | T405 L406 E459 T461 | T405-K466 HydrophobicContact CG2-CB 3.84Å; T405-K466 HydrophobicContact CG2-CD 4.33Å; T405-K466 HydrophobicContact CG2-CG 4.46Å; L406-K466 CarbonylContact O-C 3.46Å; L406-K466 WeakPolarHBondContact O-CA 3.32Å; E459-K466 HydrophobicContact CB-CG 3.89Å; E459-K466 PolarHBondContact N-O 3.06Å; E459-K466 PolarHBondContact O-N 2.87Å; E459-K466 WeakPolarHBondContact OE2-CE 3.38Å; E459-K466 IonicContact OE2-NZ 2.83Å; E459-K466 PolarHBondContact OE2-NZ 3.24Å; T461-K466 HydrophobicContact CG2-CB 3.97Å; T461-K466 HydrophobicContact CG2-CD 3.58Å; T461-K466 HydrophobicContact CG2-CG 3.57Å |
| 467 | V | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.1 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 108 | T405 L406 L421 I443 V455 C456 P458 | T405-V467 CarbonylContact C-O 3.56Å; T405-V467 VanDerWaalsContact CA-O 3.3Å; T405-V467 WeakPolarHBondContact CA-O 3.39Å; L406-V467 HydrophobicContact CB-CB 4.29Å; L406-V467 PolarHBondContact N-O 3.19Å; L406-V467 PolarHBondContact O-N 3.3Å; L421-V467 HydrophobicContact CD2-CG2 3.38Å; I443-V467 HydrophobicContact CD1-CG1 4.19Å; I443-V467 HydrophobicContact CD1-CG2 4.45Å; V455-V467 HydrophobicContact CG1-CG1 3.55Å; C456-V467 WeakPolarHBondContact O-CG1 3.3Å; P458-V467 HydrophobicContact CB-CG2 3.99Å; P458-V467 HydrophobicContact CG-CG2 4.03Å |
| 468 | V | 93 | Very high | 85.5 | Confident | 32 Ų | 32 | 40 Ų | 40 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.4 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | I404 T405 C456 | I404-V468 WeakPolarHBondContact O-CA 3.05Å; T405-V468 HydrophobicContact CG2-CG2 4.4Å; C456-V468 HydrophobicContact CB-CB 4.36Å; C456-V468 WeakPolarHBondContact CB-O 3.47Å; C456-V468 PolarHBondContact N-O 3.08Å |
| 469 | M | 91.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 166.2 | 175.4 | 66.3 | 173.4 | -71.9 | 0 | 0 | 112.7 | K403 I404 L406 I426 I442 L454 V455 F472 F482 | K403-M469 CarbonylContact C-O 3.45Å; K403-M469 WeakPolarHBondContact CA-O 3.38Å; I404-M469 HydrophobicContact CD1-CG 3.91Å; I404-M469 HydrophobicContact CD1-SD 4.11Å; I404-M469 HydrophobicContact CG1-CG 3.54Å; I404-M469 HydrophobicContact CG1-SD 4.4Å; I404-M469 PolarHBondContact N-O 2.96Å; I404-M469 PolarHBondContact O-N 3.45Å; L406-M469 HydrophobicContact CD1-SD 4.19Å; L406-M469 HydrophobicContact CG-SD 4.42Å; I426-M469 HydrophobicContact CD1-CE 4.08Å; I442-M469 HydrophobicContact CD1-SD 4.06Å; L454-M469 CarbonylContact O-C 3.57Å; L454-M469 WeakPolarHBondContact O-CA 3.45Å; L454-M469 VanDerWaalsContact O-CB 3.29Å; L454-M469 WeakPolarHBondContact O-CB 3.38Å; V455-M469 HydrophobicContact CB-CB 4.24Å; V455-M469 HydrophobicContact CG1-CB 4.24Å; V455-M469 HydrophobicContact CG2-CB 3.92Å; V455-M469 HydrophobicContact CG2-CE 4.44Å; M469-F472 HydrophobicContact CE-CD1 3.77Å; M469-F472 HydrophobicContact CE-CE1 3.51Å; M469-F482 HydrophobicContact CE-CE1 4.35Å; M469-F482 HydrophobicContact CE-CZ 4.47Å; M469-F482 HydrophobicContact SD-CE1 3.72Å; M469-F482 HydrophobicContact SD-CZ 4.21Å |
| 470 | E | 89.6 | Confident | 85.4 | Confident | 82 Ų | 82 | 38.2 Ų | 38.2 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.1 | 170.8 | -167.1 | 169.4 | 155 | 0 | 0 | 111.1 | G401 L454 F472 | G401-E470 VanDerWaalsContact CA-OE1 3.23Å; G401-E470 WeakPolarHBondContact CA-OE1 3.27Å; G401-E470 WeakPolarHBondContact O-CG 3.3Å; L454-E470 HydrophobicContact CD2-CB 4.17Å; L454-E470 PolarHBondContact O-N 3.49Å; E470-F472 PolarHBondContact O-N 3.02Å |
| 471 | A | 90 | Very high | 85.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 126.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | V398 G401 N402 I404 V550 | V398-A471 HydrophobicContact CG1-CB 3.57Å; G401-A471 PolarHBondContact N-O 3.21Å; N402-A471 WeakPolarHBondContact O-CB 3.35Å; N402-A471 PolarHBondContact O-N 3.18Å; I404-A471 HydrophobicContact CD1-CB 4.22Å; I404-A471 HydrophobicContact CG1-CB 4.44Å; I404-A471 HydrophobicContact CG2-CB 4.12Å; A471-V550 HydrophobicContact CB-CG1 4.37Å; A471-V550 HydrophobicContact CB-CG2 4.47Å | ||
| 472 | F | 87.7 | Confident | 86 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 20% | 0.197 | 18% | 0.179 | C | C | . | . | trans | -128.5 | 161.9 | 173.4 | 68.5 | -94.1 | 0 | 0 | 0 | 110.2 | I426 L440 I442 M469 E470 | I426-F472 HydrophobicContact CB-CZ 4.39Å; I426-F472 HydrophobicContact CD1-CE1 3.57Å; I426-F472 HydrophobicContact CD1-CE2 4.27Å; I426-F472 HydrophobicContact CD1-CZ 3.28Å; I426-F472 HydrophobicContact CG1-CZ 4.4Å; I426-F472 HydrophobicContact CG2-CZ 4.47Å; L440-F472 HydrophobicContact CD2-CE1 4.42Å; L440-F472 HydrophobicContact CD2-CE2 3.8Å; L440-F472 HydrophobicContact CD2-CZ 3.53Å; I442-F472 HydrophobicContact CG2-CE1 4.43Å; M469-F472 HydrophobicContact CE-CD1 3.77Å; M469-F472 HydrophobicContact CE-CE1 3.51Å; E470-F472 PolarHBondContact O-N 3.02Å | ||
| 473 | R | 82.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 23% | 0.226 | 14% | 0.144 | C | C | . | . | trans | -126.3 | 156.2 | 176.2 | 68.7 | 178.3 | -170.1 | 88 | -4.3 | 111.4 | I400 T475 V550 N552 | I400-R473 HydrophobicContact CD1-CG 4.22Å; R473-T475 PolarHBondContact NH1-O 2.66Å; R473-V550 HydrophobicContact CB-CB 3.8Å; R473-V550 HydrophobicContact CB-CG1 3.87Å; R473-V550 WeakPolarHBondContact CD-O 3.47Å; R473-V550 HydrophobicContact CG-CG1 4.48Å; R473-N552 PolarHBondContact NE-OD1 3.29Å; R473-N552 PolarHBondContact NH2-ND2 3.16Å; R473-N552 PolarHBondContact NH2-OD1 3.28Å | ||
| 474 | Y | 78.2 | Confident | 87 | Confident | 28 Ų | 28 | 25.2 Ų | 25.2 | 11% | 0.11 | 13% | 0.127 | C | C | . | . | trans | -70.1 | 159.8 | 159.3 | -71.6 | -81.8 | 0 | 0 | 0 | 109.5 | I426 P428 E436 L440 T477 V480 | I426-Y474 HydrophobicContact CG2-CE2 4.06Å; I426-Y474 PolarHBondContact O-OH 2.9Å; P428-Y474 HydrophobicContact CB-CD1 4.33Å; P428-Y474 HydrophobicContact CB-CD2 3.64Å; P428-Y474 HydrophobicContact CB-CE2 4.09Å; P428-Y474 HydrophobicContact CB-CG 3.76Å; P428-Y474 HydrophobicContact CG-CD1 4.47Å; P428-Y474 HydrophobicContact CG-CD2 4.31Å; P428-Y474 HydrophobicContact CG-CE1 4.47Å; P428-Y474 HydrophobicContact CG-CE2 4.36Å; P428-Y474 HydrophobicContact CG-CG 4.35Å; E436-Y474 HydrophobicContact CG-CD1 3.39Å; E436-Y474 HydrophobicContact CG-CE1 4.12Å; E436-Y474 HydrophobicContact CG-CG 4.1Å; E436-Y474 WeakPolarHBondContact OE1-CB 3.31Å; L440-Y474 PolarHBondContact N-OH 3.25Å; Y474-T477 CarbonylContact C-O 3.54Å; Y474-V480 HydrophobicContact CD2-CG1 3.74Å; Y474-V480 HydrophobicContact CE2-CG1 4.32Å | ||
| 475 | T | 69.4 | Low | 86.9 | Confident | 25 Ų | 25 | 25.5 Ų | 25.5 | 15% | 0.153 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.6 | -32.3 | -167.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | F225 Y276 E436 R473 | F225-T475 HydrophobicContact CE1-CG2 4.49Å; F225-T475 HydrophobicContact CE2-CG2 4.31Å; F225-T475 HydrophobicContact CZ-CG2 3.63Å; Y276-T475 HydrophobicContact CD1-CG2 4.49Å; Y276-T475 HydrophobicContact CE1-CG2 3.31Å; Y276-T475 WeakPolarHBondContact OH-CB 3.43Å; Y276-T475 WeakPolarHBondContact OH-CG2 3.33Å; Y276-T475 PolarHBondContact OH-OG1 2.82Å; E436-T475 PolarHBondContact OE1-N 2.89Å; E436-T475 PolarHBondContact OE1-OG1 3.47Å; R473-T475 PolarHBondContact NH1-O 2.66Å |
| 476 | T | 72.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 25.2 Ų | 25.2 | 29% | 0.288 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -96.1 | -9 | -176.2 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | S431 P432 Y433 E436 | S431-T476 PolarHBondContact OG-OG1 3.37Å; S431-T476 VanDerWaalsContact OG-OG1 3.11Å; P432-T476 WeakPolarHBondContact CD-OG1 3.45Å; Y433-T476 HydrophobicContact CD2-CG2 3.37Å; Y433-T476 HydrophobicContact CE2-CG2 3.42Å; Y433-T476 VanDerWaalsContact CE2-CG2 3.42Å; E436-T476 PolarHBondContact OE1-N 2.7Å; E436-T476 VanDerWaalsContact OE2-CB 3.25Å; E436-T476 WeakPolarHBondContact OE2-CB 3.3Å; E436-T476 WeakPolarHBondContact OE2-CG2 3.3Å; E436-T476 PolarHBondContact OE2-OG1 3.05Å |
| 477 | T | 79.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 25 Ų | 25 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | trans | -143.3 | 130.5 | 177.9 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | P428 I429 Y474 E479 | P428-T477 HydrophobicContact CB-CG2 3.45Å; P428-T477 VanDerWaalsContact CB-CG2 3.45Å; I429-T477 WeakPolarHBondContact O-CB 3.2Å; I429-T477 WeakPolarHBondContact O-CG2 3.27Å; I429-T477 PolarHBondContact O-OG1 3Å; Y474-T477 CarbonylContact C-O 3.54Å; T477-E479 WeakPolarHBondContact CG2-O 3.11Å; T477-E479 PolarHBondContact O-N 3.31Å; T477-E479 WeakPolarHBondContact OG1-CB 3.49Å; T477-E479 PolarHBondContact OG1-N 2.72Å; T477-E479 PolarHBondContact OG1-O 3.14Å | ||
| 478 | S | 84.9 | Confident | 85.6 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -76.1 | -7.1 | 167.9 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | I549 V550 | S478-I549 CarbonylContact O-C 3.59Å; S478-I549 VanDerWaalsContact O-CA 3.31Å; S478-I549 WeakPolarHBondContact O-CA 3.36Å; S478-V550 VanDerWaalsContact CB-O 3.25Å; S478-V550 WeakPolarHBondContact CB-O 3.35Å; S478-V550 PolarHBondContact O-N 3.01Å |
| 479 | E | 88.5 | Confident | 84.9 | Confident | 41 Ų | 41 | 25.2 Ų | 25.2 | 19% | 0.192 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.6 | -176.5 | -53.7 | -161.7 | 152.3 | 0 | 0 | 110.8 | I429 T477 K547 I549 | I429-E479 HydrophobicContact CB-CB 3.79Å; I429-E479 HydrophobicContact CD1-CB 4.29Å; I429-E479 HydrophobicContact CG1-CB 4.44Å; I429-E479 HydrophobicContact CG2-CB 4.42Å; I429-E479 WeakPolarHBondContact CG2-OE2 3.35Å; I429-E479 PolarHBondContact N-O 3.37Å; T477-E479 WeakPolarHBondContact CG2-O 3.11Å; T477-E479 PolarHBondContact O-N 3.31Å; T477-E479 WeakPolarHBondContact OG1-CB 3.49Å; T477-E479 PolarHBondContact OG1-N 2.72Å; T477-E479 PolarHBondContact OG1-O 3.14Å; E479-K547 IonicContact OE1-NZ 2.73Å; E479-K547 PolarHBondContact OE1-NZ 3.06Å; E479-K547 VanDerWaalsContact OE2-CE 3.23Å; E479-K547 WeakPolarHBondContact OE2-CE 3.48Å; E479-K547 IonicContact OE2-NZ 2.72Å; E479-K547 PolarHBondContact OE2-NZ 2.72Å; E479-I549 HydrophobicContact CG-CG1 4.24Å |
| 480 | V | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.5 | 178.2 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | I426 E427 Y474 F482 K547 L548 V550 | I426-V480 HydrophobicContact CG2-CB 3.81Å; I426-V480 HydrophobicContact CG2-CG1 4.46Å; I426-V480 HydrophobicContact CG2-CG2 4.18Å; E427-V480 WeakPolarHBondContact O-CA 3Å; Y474-V480 HydrophobicContact CD2-CG1 3.74Å; Y474-V480 HydrophobicContact CE2-CG1 4.32Å; V480-F482 HydrophobicContact CG2-CD2 4.2Å; V480-F482 HydrophobicContact CG2-CE2 3.64Å; V480-F482 HydrophobicContact CG2-CZ 4.49Å; V480-K547 WeakPolarHBondContact O-CA 3.27Å; V480-L548 HydrophobicContact CG2-CB 4.02Å; V480-L548 PolarHBondContact N-O 2.93Å; V480-L548 PolarHBondContact O-N 2.87Å; V480-V550 HydrophobicContact CG2-CG2 4.39Å |
| 481 | L | 90.1 | Very high | 82.6 | Confident | 44 Ų | 44 | 33.9 Ų | 33.9 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.9 | 174.5 | -176.6 | 55.4 | 0 | 0 | 0 | 109 | I426 E427 I429 | I426-L481 WeakPolarHBondContact CA-O 3.49Å; E427-L481 HydrophobicContact CG-CB 3.8Å; E427-L481 HydrophobicContact CG-CG 4.4Å; E427-L481 PolarHBondContact N-O 3.35Å; E427-L481 PolarHBondContact O-N 2.98Å; E427-L481 VanDerWaalsContact OE1-CD2 3.28Å; E427-L481 WeakPolarHBondContact OE1-CD2 3.41Å; I429-L481 HydrophobicContact CD1-CB 3.97Å; I429-L481 HydrophobicContact CG1-CB 3.86Å |
| 482 | F | 92.9 | Very high | 81.3 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.4 | 168.6 | -71.6 | -102 | 0 | 0 | 0 | 108.6 | F386 I388 I404 L406 I426 I442 M469 V480 S545 R546 L548 | F386-F482 HydrophobicContact CE1-CB 3.73Å; F386-F482 HydrophobicContact CZ-CB 3.7Å; F386-F482 HydrophobicContact CZ-CG 4.29Å; I388-F482 HydrophobicContact CD1-CD2 3.79Å; I388-F482 HydrophobicContact CD1-CE2 4.12Å; I388-F482 HydrophobicContact CD1-CG 4.32Å; I404-F482 HydrophobicContact CD1-CZ 4.09Å; L406-F482 HydrophobicContact CD1-CD1 3.92Å; L406-F482 HydrophobicContact CD1-CE1 4.04Å; L406-F482 HydrophobicContact CD2-CD1 3.91Å; L406-F482 HydrophobicContact CD2-CE1 3.82Å; L406-F482 HydrophobicContact CD2-CZ 4.38Å; I426-F482 HydrophobicContact CD1-CD1 3.98Å; I426-F482 HydrophobicContact CD1-CE1 3.37Å; I426-F482 HydrophobicContact CD1-CZ 3.78Å; I426-F482 HydrophobicContact CG1-CD1 3.65Å; I426-F482 HydrophobicContact CG1-CE1 3.6Å; I426-F482 HydrophobicContact CG1-CG 4.27Å; I426-F482 HydrophobicContact CG1-CZ 4.15Å; I442-F482 HydrophobicContact CD1-CD1 4.3Å; I442-F482 HydrophobicContact CD1-CE1 4.21Å; M469-F482 HydrophobicContact CE-CE1 4.35Å; M469-F482 HydrophobicContact CE-CZ 4.47Å; M469-F482 HydrophobicContact SD-CE1 3.72Å; M469-F482 HydrophobicContact SD-CZ 4.21Å; V480-F482 HydrophobicContact CG2-CD2 4.2Å; V480-F482 HydrophobicContact CG2-CE2 3.64Å; V480-F482 HydrophobicContact CG2-CZ 4.49Å; F482-S545 CarbonylContact O-C 3.48Å; F482-S545 WeakPolarHBondContact O-CA 3.36Å; F482-S545 VanDerWaalsContact O-CB 3.27Å; F482-S545 WeakPolarHBondContact O-CB 3.16Å; F482-R546 WeakPolarHBondContact CB-O 3.37Å; F482-R546 PolarHBondContact N-O 2.87Å; F482-R546 PolarHBondContact O-N 3.19Å; F482-L548 HydrophobicContact CD2-CB 4.23Å; F482-L548 HydrophobicContact CE2-CB 3.82Å; F482-L548 HydrophobicContact CE2-CD2 3.84Å; F482-L548 HydrophobicContact CZ-CD2 4.29Å |
| 483 | S | 89.7 | Confident | 80.3 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.1 | 172.6 | -66 | 0 | 0 | 0 | 0 | 109.6 | C424 Q425 S545 | C424-S483 WeakPolarHBondContact CA-O 3.25Å; Q425-S483 PolarHBondContact N-O 3.41Å; Q425-S483 PolarHBondContact O-N 3.12Å; S483-S545 PolarHBondContact OG-OG 3.34Å |
| 484 | C | 91.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.5 | -171.8 | -67.6 | 0 | 0 | 0 | 0 | 111 | F408 L421 A423 C424 I486 V543 V544 | F408-C484 HydrophobicContact CE1-CB 3.83Å; F408-C484 HydrophobicContact CZ-CB 3.87Å; L421-C484 HydrophobicContact CD1-CB 4Å; A423-C484 CarbonylContact O-C 3.47Å; A423-C484 WeakPolarHBondContact O-CA 3.45Å; C424-C484 HydrophobicContact CB-CB 4.19Å; C424-C484 WeakPolarHBondContact CB-SG 3.26Å; C424-C484 WeakPolarHBondContact SG-CB 3.37Å; C424-C484 CovalentContact SG-SG 2.04Å; C424-C484 PolarHBondContact SG-SG 2.94Å; C484-I486 HydrophobicContact CB-CD1 3.98Å; C484-V543 CarbonylContact O-C 3.49Å; C484-V543 VanDerWaalsContact O-CA 3.3Å; C484-V543 WeakPolarHBondContact O-CA 3.32Å; C484-V544 HydrophobicContact CB-CG2 4.22Å; C484-V544 PolarHBondContact N-O 2.89Å; C484-V544 PolarHBondContact O-N 3.23Å |
| 485 | M | 84.8 | Confident | 79.2 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.3 | 172.4 | 177.5 | -172.7 | -83.5 | 0 | 0 | 109.3 | V422 A423 F535 D541 H542 V543 | V422-M485 HydrophobicContact CB-CB 4.38Å; V422-M485 HydrophobicContact CB-CG 4.05Å; V422-M485 HydrophobicContact CB-SD 3.88Å; V422-M485 HydrophobicContact CG1-SD 3.8Å; V422-M485 HydrophobicContact CG2-CG 4.42Å; V422-M485 HydrophobicContact CG2-SD 4.37Å; V422-M485 PolarHBondContact N-O 3.25Å; A423-M485 PolarHBondContact O-N 3.04Å; M485-F535 HydrophobicContact CB-CE1 4.31Å; M485-F535 HydrophobicContact CE-CB 3.4Å; M485-F535 VanDerWaalsContact CE-CB 3.4Å; M485-F535 HydrophobicContact CE-CD1 3.16Å; M485-F535 HydrophobicContact CE-CE1 4.03Å; M485-F535 HydrophobicContact CE-CG 3.47Å; M485-F535 VanDerWaalsContact CE-CG 3.47Å; M485-F535 HydrophobicContact SD-CD1 4.4Å; M485-D541 HydrophobicContact CG-CB 4.37Å; M485-H542 WeakPolarHBondContact CA-O 3.36Å; M485-V543 HydrophobicContact CB-CG2 4.5Å |
| 486 | I | 87.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.1 | 177 | -58.6 | 86.3 | 0 | 0 | 0 | 107.9 | I384 F408 L419 V420 L421 C484 H542 V544 | I384-I486 HydrophobicContact CD1-CB 3.82Å; I384-I486 HydrophobicContact CD1-CG2 3.63Å; F408-I486 HydrophobicContact CB-CG1 4.33Å; F408-I486 HydrophobicContact CD1-CD1 3.58Å; F408-I486 HydrophobicContact CD1-CG1 3.88Å; F408-I486 HydrophobicContact CE1-CD1 3.78Å; F408-I486 HydrophobicContact CE1-CG1 4.35Å; F408-I486 HydrophobicContact CG-CD1 4.25Å; F408-I486 HydrophobicContact CG-CG1 4.03Å; L419-I486 HydrophobicContact CB-CG2 3.9Å; L419-I486 HydrophobicContact CD1-CG2 4.32Å; L419-I486 HydrophobicContact CD2-CG2 4.08Å; L419-I486 HydrophobicContact CG-CG2 4.31Å; V420-I486 WeakPolarHBondContact O-CA 3.05Å; L421-I486 HydrophobicContact CD1-CD1 4.32Å; L421-I486 HydrophobicContact CD1-CG1 3.92Å; C484-I486 HydrophobicContact CB-CD1 3.98Å; I486-H542 PolarHBondContact N-O 3.38Å; I486-H542 PolarHBondContact O-N 3.32Å; I486-V544 HydrophobicContact CD1-CB 4.34Å; I486-V544 HydrophobicContact CD1-CG1 4.32Å; I486-V544 HydrophobicContact CD1-CG2 3.21Å |
| 487 | R | 83.7 | Confident | 79.5 | Confident | 60 Ų | 60 | 45 Ų | 45 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.7 | 172.9 | -174.6 | 165.7 | -68.6 | 163.1 | 2.4 | 109.7 | L419 V420 V422 T538 D541 | L419-R487 WeakPolarHBondContact CA-O 3.27Å; V420-R487 PolarHBondContact N-O 3.42Å; V420-R487 PolarHBondContact O-N 2.81Å; V422-R487 HydrophobicContact CG2-CB 3.79Å; R487-T538 PolarHBondContact NE-OG1 2.96Å; R487-T538 PolarHBondContact NH2-OG1 2.65Å; R487-T538 VanDerWaalsContact NH2-OG1 3.16Å; R487-D541 VanDerWaalsContact CB-OD1 3.27Å; R487-D541 WeakPolarHBondContact CB-OD1 3.07Å; R487-D541 WeakPolarHBondContact CG-OD1 3.34Å; R487-D541 IonicContact CZ-OD1 3.63Å; R487-D541 IonicContact CZ-OD2 3.38Å; R487-D541 IonicContact NE-OD1 3.58Å; R487-D541 PolarHBondContact NE-OD1 3.29Å; R487-D541 IonicContact NE-OD2 3.31Å; R487-D541 IonicContact NH2-OD1 2.84Å; R487-D541 PolarHBondContact NH2-OD1 2.88Å; R487-D541 IonicContact NH2-OD2 3.57Å; R487-D541 PolarHBondContact NH2-OD2 3.33Å |
| 488 | N | 80.3 | Confident | 79.6 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 105.8 | 167.6 | -177.1 | -4.6 | 0 | 0 | 0 | 109.4 | L419 N490 G540 | L419-N488 HydrophobicContact CD2-CB 4.03Å; N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 3.31Å; N488-N490 WeakPolarHBondContact OD1-CB 3.41Å; N488-N490 PolarHBondContact OD1-N 2.02Å; N488-N490 VanDerWaalsContact OD1-N 3.12Å; N488-N490 PolarHBondContact OD1-ND2 3.13Å; N488-N490 PolarHBondContact OD1-OD1 3.02Å; N488-G540 PolarHBondContact N-O 2.61Å |
| 489 | C | 78.3 | Confident | 79.6 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | trans | -90.7 | 18.8 | -177.3 | -58 | 0 | 0 | 0 | 0 | 114.5 | H418 Y491 G492 C494 | H418-C489 HydrophobicContact CB-CB 4Å; H418-C489 VanDerWaalsContact O-CB 3.26Å; H418-C489 WeakPolarHBondContact O-CB 3.47Å; H418-C489 PolarHBondContact O-N 3.25Å; C489-Y491 PolarHBondContact O-N 3.08Å; C489-G492 PolarHBondContact O-N 2.8Å; C489-C494 HydrophobicContact CB-CB 3.27Å; C489-C494 WeakPolarHBondContact CB-SG 3.1Å; C489-C494 VanDerWaalsContact SG-CA 3.56Å; C489-C494 WeakPolarHBondContact SG-CB 3.26Å; C489-C494 CovalentContact SG-SG 2.01Å; C489-C494 PolarHBondContact SG-SG 3.29Å | ||
| 490 | N | 70.9 | Confident | 79.3 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13 | 177.3 | -70.1 | -5.5 | 0 | 0 | 0 | 113.4 | H418 N488 | H418-N490 PolarHBondContact N-OD1 3.1Å; H418-N490 VanDerWaalsContact N-OD1 3.1Å; N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 3.31Å; N488-N490 WeakPolarHBondContact OD1-CB 3.41Å; N488-N490 PolarHBondContact OD1-N 2.02Å; N488-N490 VanDerWaalsContact OD1-N 3.12Å; N488-N490 PolarHBondContact OD1-ND2 3.13Å; N488-N490 PolarHBondContact OD1-OD1 3.02Å |
| 491 | Y | 62.3 | Low | 78.6 | Confident | 214 Ų | 214 | 60 Ų | 60 | 84% | 0.839 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 11.9 | -176.2 | -53.6 | -75 | 0 | 0 | 0 | 114.2 | C489 | C489-Y491 PolarHBondContact O-N 3.08Š|
| 492 | G | 62.4 | Low | 78 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -166.1 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C489 C494 | C489-G492 PolarHBondContact O-N 2.8Å; G492-C494 PolarHBondContact O-N 2.99Å |
| 493 | L | 65.7 | Low | 76.9 | Confident | 162 Ų | 162 | 67.8 Ų | 67.8 | 85% | 0.848 | 38% | 0.377 | S | S | * | . | trans | -61.4 | 130.8 | 175 | -78.6 | 161.2 | 0 | 0 | 0 | 110.4 | P495 | L493-P495 VanDerWaalsContact O-CD 3.29Å; L493-P495 WeakPolarHBondContact O-CD 3.43Å | ||
| 494 | C | 69.5 | Low | 76 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | trans | -115.8 | 87.2 | -174.7 | -150 | 0 | 0 | 0 | 0 | 110.2 | V420 C489 G492 Q496 | V420-C494 WeakPolarHBondContact CG2-SG 3.01Å; C489-C494 HydrophobicContact CB-CB 3.27Å; C489-C494 WeakPolarHBondContact CB-SG 3.1Å; C489-C494 VanDerWaalsContact SG-CA 3.56Å; C489-C494 WeakPolarHBondContact SG-CB 3.26Å; C489-C494 CovalentContact SG-SG 2.01Å; C489-C494 PolarHBondContact SG-SG 3.29Å; G492-C494 PolarHBondContact O-N 2.99Å; C494-Q496 PolarHBondContact O-N 3.28Å | ||
| 495 | P | 68.3 | Low | 75.4 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.7 | 178.8 | 25.6 | -31.8 | 0 | 0 | 0 | 109.3 | L493 I525 | L493-P495 VanDerWaalsContact O-CD 3.29Å; L493-P495 WeakPolarHBondContact O-CD 3.43Å; P495-I525 HydrophobicContact CB-CD1 4.05Å; P495-I525 HydrophobicContact CG-CD1 4.09Å |
| 496 | Q | 72.7 | Confident | 74.7 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 120.1 | 177.4 | -66.2 | -61.6 | -49.5 | 0 | 0 | 108.5 | V420 C494 | V420-Q496 VanDerWaalsContact CG2-NE2 3.28Å; C494-Q496 PolarHBondContact O-N 3.28Å |
| 497 | P | 75.3 | Confident | 72.9 | Confident | 42 Ų | 42 | 82 Ų | 82 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 136.9 | 178.7 | 32.4 | -36.8 | 0 | 0 | 0 | 109.5 | S445 G446 | S445-P497 WeakPolarHBondContact O-CB 3.34Å; G446-P497 VanDerWaalsContact O-CG 3.25Å; G446-P497 WeakPolarHBondContact O-CG 3.45Å |
| 498 | V | 83.1 | Confident | 71.2 | Confident | 145 Ų | 145 | 83.4 Ų | 83.4 | 88% | 0.879 | 50% | 0.499 | S | S | * | . | trans | -96 | 108.5 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 499 | C | 84.5 | Confident | 69.3 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 24% | 0.236 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 147.9 | -173.7 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | C447 P457 | C447-C499 WeakPolarHBondContact CA-SG 3.12Å; C447-C499 HydrophobicContact CB-CB 3.81Å; C447-C499 WeakPolarHBondContact CB-SG 3.39Å; C447-C499 WeakPolarHBondContact SG-CA 3.4Å; C447-C499 WeakPolarHBondContact SG-CB 3.02Å; C447-C499 CovalentContact SG-SG 2.05Å; C447-C499 PolarHBondContact SG-SG 3.48Å; P457-C499 HydrophobicContact CB-CB 4.01Å; P457-C499 HydrophobicContact CG-CB 4.27Å |
| 500 | P | 81.4 | Confident | 67.3 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -66 | 151.6 | 171.2 | 26.7 | -29.5 | 0 | 0 | 0 | 110.1 | Q448 | Q448-P500 PolarHBondContact NE2-O 3.49Š|
| 501 | S | 76.6 | Confident | 65.5 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141.8 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 502 | V | 76.8 | Confident | 64.1 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 12% | 0.115 | 56% | 0.558 | C | S | . | * | trans | -116.9 | 128.6 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | Q448 P457 C505 | Q448-V502 HydrophobicContact CG-CG2 3.73Å; P457-V502 HydrophobicContact CG-CG2 4.46Å; V502-C505 HydrophobicContact CB-CB 4.38Å; V502-C505 WeakPolarHBondContact O-CB 3.5Å; V502-C505 PolarHBondContact O-N 2.91Å | ||
| 503 | E | 71.1 | Confident | 62.3 | Low | 192 Ų | 192 | 94.9 Ų | 94.9 | 90% | 0.897 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 132.9 | 176.8 | -168 | 172.9 | -176.2 | 0 | 0 | 110.3 | ||
| 504 | G | 70.2 | Confident | 60.6 | Low | 66 Ų | 66 | 98 Ų | 98 | 68% | 0.68 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.6 | -4.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 505 | C | 78.9 | Confident | 58.6 | Low | 17 Ų | 17 | 101.4 Ų | 101.4 | 12% | 0.115 | 60% | 0.602 | C | S | . | * | S | Bend | trans | -90.5 | 148.2 | 166.2 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | C456 V502 P507 | C456-C505 WeakPolarHBondContact CA-SG 3.47Å; C456-C505 HydrophobicContact CB-CB 3.9Å; C456-C505 WeakPolarHBondContact CB-SG 3.41Å; C456-C505 WeakPolarHBondContact SG-CB 3.09Å; C456-C505 CovalentContact SG-SG 2.04Å; C456-C505 PolarHBondContact SG-SG 2.05Å; V502-C505 HydrophobicContact CB-CB 4.38Å; V502-C505 WeakPolarHBondContact O-CB 3.5Å; V502-C505 PolarHBondContact O-N 2.91Å; C505-P507 WeakPolarHBondContact O-CD 3.43Å |
| 506 | D | 68.5 | Low | 56.7 | Low | 115 Ų | 115 | 103 Ų | 103 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | trans | -65.7 | 122.1 | -171.6 | -154.5 | -21.4 | 0 | 0 | 0 | 110.9 | A508 Q509 | D506-A508 PolarHBondContact O-N 3.15Å; D506-Q509 WeakPolarHBondContact O-CG 3.35Å | ||
| 507 | P | 51.4 | Low | 54.6 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -71.1 | 16.6 | -173.5 | 25.6 | -34.3 | 0 | 0 | 0 | 115.7 | C505 Q509 | C505-P507 WeakPolarHBondContact O-CD 3.43Å; P507-Q509 PolarHBondContact O-N 3.38Å |
| 508 | A | 46.5 | Very low | 52.6 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | trans | -66.4 | 9.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D506 | D506-A508 PolarHBondContact O-N 3.15Š| ||
| 509 | Q | 42.1 | Very low | 50.1 | Low | 74 Ų | 74 | 111.9 Ų | 111.9 | 35% | 0.346 | 66% | 0.656 | S | S | . | * | trans | -110.5 | 40.9 | -161.3 | -61.4 | -179.9 | 4.5 | 0 | 0 | 113.8 | E459 D506 P507 | E459-Q509 PolarHBondContact OE1-NE2 2.9Å; D506-Q509 WeakPolarHBondContact O-CG 3.35Å; P507-Q509 PolarHBondContact O-N 3.38Å | ||
| 510 | K | 34.9 | Very low | 47.5 | Very low | 194 Ų | 194 | 115 Ų | 115 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -78.8 | 127.3 | 152.1 | -90 | -176.4 | 178.6 | 177.4 | 0 | 106.8 | S512 | K510-S512 PolarHBondContact O-N 3.32Å; K510-S512 VanDerWaalsContact O-N 3.08Å |
| 511 | A | 34.3 | Very low | 45.2 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | trans | -29.6 | 118.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T513 | A511-T513 PolarHBondContact O-N 2.69Š| ||
| 512 | S | 31.7 | Very low | 43 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -53.9 | 106.7 | 174 | 62.1 | 0 | 0 | 0 | 0 | 107.2 | K510 W514 | K510-S512 PolarHBondContact O-N 3.32Å; K510-S512 VanDerWaalsContact O-N 3.08Å; S512-W514 PolarHBondContact O-N 2.69Å | ||
| 513 | T | 25.1 | Very low | 41.1 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | trans | -61.6 | 92.8 | 171.1 | -24.2 | 0 | 0 | 0 | 0 | 106 | A511 | A511-T513 PolarHBondContact O-N 2.69Š| ||
| 514 | W | 29.4 | Very low | 39.2 | Very low | 227 Ų | 227 | 121.8 Ų | 121.8 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -99.7 | 127.7 | 170.9 | -86 | 65.5 | 0 | 0 | 0 | 108.5 | S512 | S512-W514 PolarHBondContact O-N 2.69Š| ||
| 515 | S | 28.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | -50.6 | 141.9 | 179.1 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | D517 | S515-D517 PolarHBondContact O-N 3.4Š| ||
| 516 | S | 28.4 | Very low | 35.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -24.8 | 124.3 | 162 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 517 | D | 27.8 | Very low | 33.8 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | 163.1 | 46.1 | 131.5 | -73.9 | -17.3 | 0 | 0 | 0 | 112.7 | S515 | S515-D517 PolarHBondContact O-N 3.4Š| ||
| 518 | V | 34.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -151.8 | 122.7 | 152.2 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | T520 | V518-T520 PolarHBondContact O-N 3.36Š|
| 519 | E | 28.6 | Very low | 32.1 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -61.8 | 93.4 | 179.3 | -163.7 | 165.7 | -171.1 | 0 | 0 | 111.3 | ||||
| 520 | T | 30.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | -93.1 | 104.7 | 173.1 | 35.9 | 0 | 0 | 0 | 0 | 108.9 | V518 N522 | V518-T520 PolarHBondContact O-N 3.36Å; T520-N522 PolarHBondContact O-N 2.78Å; T520-N522 VanDerWaalsContact O-N 3.1Å | ||
| 521 | K | 33.1 | Very low | 31.6 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | -63.1 | 111.2 | 169.2 | -87.6 | -178 | 174.8 | 175.8 | 0 | 109.1 | V523 | K521-V523 HydrophobicContact CB-CG2 4.34Å; K521-V523 PolarHBondContact O-N 3.19Å | ||
| 522 | N | 31.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | -64.7 | 97.6 | 166.1 | -66.8 | -39.6 | 0 | 0 | 0 | 108.7 | T520 | T520-N522 PolarHBondContact O-N 2.78Å; T520-N522 VanDerWaalsContact O-N 3.1Å | ||
| 523 | V | 36.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | trans | -99.6 | 124 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | K521 I525 | K521-V523 HydrophobicContact CB-CG2 4.34Å; K521-V523 PolarHBondContact O-N 3.19Å; V523-I525 PolarHBondContact O-N 2.9Å | ||
| 524 | P | 31.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -57.7 | 121.4 | 168.3 | -17.5 | 29.6 | 0 | 0 | 0 | 108.9 | E526 | P524-E526 PolarHBondContact O-N 2.98Š| ||
| 525 | I | 37 | Very low | 32 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 55% | 0.554 | 68% | 0.684 | S | S | * | * | trans | -73.2 | 108.8 | 170.3 | -58.8 | 175.9 | 0 | 0 | 0 | 106.2 | P495 V523 | P495-I525 HydrophobicContact CB-CD1 4.05Å; P495-I525 HydrophobicContact CG-CD1 4.09Å; V523-I525 PolarHBondContact O-N 2.9Å | ||
| 526 | E | 31.7 | Very low | 32.2 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | trans | -57.7 | 140.5 | 172.8 | -74.3 | -173.5 | 156.4 | 0 | 0 | 110.2 | P524 T528 | P524-E526 PolarHBondContact O-N 2.98Å; E526-T528 PolarHBondContact O-N 2.93Å | ||
| 527 | P | 34.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -67.1 | 103.1 | 176 | 27.1 | -30.2 | 0 | 0 | 0 | 108.6 | ||||
| 528 | T | 33.1 | Very low | 34.1 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 53% | 0.528 | 65% | 0.654 | S | S | . | * | trans | -68.8 | 132.8 | 170.1 | 37.1 | 0 | 0 | 0 | 0 | 109.9 | E526 F530 | E526-T528 PolarHBondContact O-N 2.93Å; T528-F530 WeakPolarHBondContact O-CD2 3.39Å; T528-F530 PolarHBondContact O-N 2.75Å | ||
| 529 | D | 31 | Very low | 34.8 | Very low | 115 Ų | 115 | 124 Ų | 124 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | trans | -58.2 | 108.4 | -176.8 | -170 | 9.1 | 0 | 0 | 0 | 111.7 | P177 G531 | P177-D529 WeakPolarHBondContact CB-OD2 3.45Å; P177-D529 VanDerWaalsContact CG-OD2 3.32Å; P177-D529 WeakPolarHBondContact CG-OD2 3.35Å; D529-G531 PolarHBondContact O-N 2.73Å; D529-G531 VanDerWaalsContact O-N 3.08Å | ||
| 530 | F | 36 | Very low | 36.4 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | trans | -84.8 | 61.2 | 179.1 | -81.3 | -88.6 | 0 | 0 | 0 | 111.1 | R444 T528 | R444-F530 HydrophobicContact CG-CE2 4.2Å; R444-F530 HydrophobicContact CG-CZ 4.46Å; T528-F530 WeakPolarHBondContact O-CD2 3.39Å; T528-F530 PolarHBondContact O-N 2.75Å | ||
| 531 | G | 30.3 | Very low | 38.5 | Very low | 34 Ų | 34 | 112 Ų | 112 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | trans | -89.6 | 117.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D529 | D529-G531 PolarHBondContact O-N 2.73Å; D529-G531 VanDerWaalsContact O-N 3.08Å | ||
| 532 | K | 33.1 | Very low | 40.5 | Very low | 169 Ų | 169 | 106 Ų | 106 | 74% | 0.735 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 28.1 | 95.1 | 164.3 | -71.7 | 178.8 | 175.4 | 172.6 | 0 | 117.2 | N175 | N175-K532 WeakPolarHBondContact ND2-CE 3.35Å; N175-K532 PolarHBondContact ND2-NZ 3.17Å |
| 533 | G | 28.6 | Very low | 42.8 | Very low | 86 Ų | 86 | 100.9 Ų | 100.9 | 89% | 0.887 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 76.7 | 31.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 534 | R | 30.6 | Very low | 45.2 | Very low | 238 Ų | 238 | 96 Ų | 96 | 90% | 0.898 | 53% | 0.526 | S | S | * | . | trans | -148.6 | 105.2 | 163.6 | -136 | 172.2 | -176.2 | 175 | -0.1 | 111.8 | S536 | R534-S536 PolarHBondContact O-N 2.87Š| ||
| 535 | F | 36.5 | Very low | 48 | Very low | 69 Ų | 69 | 93.2 Ų | 93.2 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | trans | -50.8 | 127 | 167.6 | -68.4 | -64.4 | 0 | 0 | 0 | 110 | M485 F537 V543 | M485-F535 HydrophobicContact CB-CE1 4.31Å; M485-F535 HydrophobicContact CE-CB 3.4Å; M485-F535 VanDerWaalsContact CE-CB 3.4Å; M485-F535 HydrophobicContact CE-CD1 3.16Å; M485-F535 HydrophobicContact CE-CE1 4.03Å; M485-F535 HydrophobicContact CE-CG 3.47Å; M485-F535 VanDerWaalsContact CE-CG 3.47Å; M485-F535 HydrophobicContact SD-CD1 4.4Å; F535-F537 HydrophobicContact CB-CD2 3.94Å; F535-F537 HydrophobicContact CB-CE1 4.45Å; F535-F537 HydrophobicContact CB-CE2 3.52Å; F535-F537 HydrophobicContact CB-CZ 3.8Å; F535-F537 HydrophobicContact CD2-CE2 4.45Å; F535-F537 HydrophobicContact CD2-CZ 4.14Å; F535-F537 HydrophobicContact CG-CE2 4.46Å; F535-F537 HydrophobicContact CG-CZ 4.35Å; F535-F537 WeakPolarHBondContact O-CD2 3.11Å; F535-F537 PolarHBondContact O-N 2.88Å; F535-V543 HydrophobicContact CD2-CG2 3.81Å; F535-V543 HydrophobicContact CE2-CG1 4.06Å; F535-V543 HydrophobicContact CE2-CG2 3.82Å; F535-V543 HydrophobicContact CG-CG2 4.28Å; F535-V543 HydrophobicContact CZ-CG1 4.42Å; F535-V543 HydrophobicContact CZ-CG2 4.28Å | ||
| 536 | S | 32.4 | Very low | 50.6 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | trans | -76.8 | 99 | 164.9 | 60.4 | 0 | 0 | 0 | 0 | 107.5 | R534 | R534-S536 PolarHBondContact O-N 2.87Š| ||
| 537 | F | 40.7 | Very low | 53.5 | Low | 127 Ų | 127 | 89.4 Ų | 89.4 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | trans | -75.3 | 129.3 | -179.7 | -71 | -91.4 | 0 | 0 | 0 | 110.4 | F535 D541 V543 | F535-F537 HydrophobicContact CB-CD2 3.94Å; F535-F537 HydrophobicContact CB-CE1 4.45Å; F535-F537 HydrophobicContact CB-CE2 3.52Å; F535-F537 HydrophobicContact CB-CZ 3.8Å; F535-F537 HydrophobicContact CD2-CE2 4.45Å; F535-F537 HydrophobicContact CD2-CZ 4.14Å; F535-F537 HydrophobicContact CG-CE2 4.46Å; F535-F537 HydrophobicContact CG-CZ 4.35Å; F535-F537 WeakPolarHBondContact O-CD2 3.11Å; F535-F537 PolarHBondContact O-N 2.88Å; F537-D541 HydrophobicContact CD1-CB 4.2Å; F537-V543 HydrophobicContact CE1-CG2 3.79Å; F537-V543 HydrophobicContact CZ-CG2 3.96Å | ||
| 538 | T | 54.6 | Low | 56.3 | Low | 68 Ų | 68 | 83.7 Ų | 83.7 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | trans | -99.7 | 156.9 | 159.6 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | R487 G540 D541 | R487-T538 PolarHBondContact NE-OG1 2.96Å; R487-T538 PolarHBondContact NH2-OG1 2.65Å; R487-T538 VanDerWaalsContact NH2-OG1 3.16Å; T538-G540 PolarHBondContact O-N 2.86Å; T538-D541 PolarHBondContact N-OD2 3.35Å; T538-D541 PolarHBondContact O-N 2.75Å; T538-D541 VanDerWaalsContact OG1-CG 3.22Å; T538-D541 PolarHBondContact OG1-OD1 2.98Å; T538-D541 PolarHBondContact OG1-OD2 3.21Å | ||
| 539 | D | 49.3 | Very low | 59.1 | Low | 180 Ų | 180 | 80 Ų | 80 | 96% | 0.963 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 110.1 | 173.5 | -86 | -24.6 | 0 | 0 | 0 | 109.4 | ||
| 540 | G | 63.5 | Low | 61.8 | Low | 23 Ų | 23 | 74.6 Ų | 74.6 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118 | -7.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N488 T538 H542 | N488-G540 PolarHBondContact N-O 2.61Å; T538-G540 PolarHBondContact O-N 2.86Å; G540-H542 PolarHBondContact O-CD2 3.31Å; G540-H542 VanDerWaalsContact O-CD2 3.25Å |
| 541 | D | 74.2 | Confident | 64.2 | Low | 14 Ų | 14 | 69.6 Ų | 69.6 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.3 | 174.5 | -69.3 | -29.3 | 0 | 0 | 0 | 111.8 | M485 R487 F537 T538 | M485-D541 HydrophobicContact CG-CB 4.37Å; R487-D541 VanDerWaalsContact CB-OD1 3.27Å; R487-D541 WeakPolarHBondContact CB-OD1 3.07Å; R487-D541 WeakPolarHBondContact CG-OD1 3.34Å; R487-D541 IonicContact CZ-OD1 3.63Å; R487-D541 IonicContact CZ-OD2 3.38Å; R487-D541 IonicContact NE-OD1 3.58Å; R487-D541 PolarHBondContact NE-OD1 3.29Å; R487-D541 IonicContact NE-OD2 3.31Å; R487-D541 IonicContact NH2-OD1 2.84Å; R487-D541 PolarHBondContact NH2-OD1 2.88Å; R487-D541 IonicContact NH2-OD2 3.57Å; R487-D541 PolarHBondContact NH2-OD2 3.33Å; F537-D541 HydrophobicContact CD1-CB 4.2Å; T538-D541 PolarHBondContact N-OD2 3.35Å; T538-D541 PolarHBondContact O-N 2.75Å; T538-D541 VanDerWaalsContact OG1-CG 3.22Å; T538-D541 PolarHBondContact OG1-OD1 2.98Å; T538-D541 PolarHBondContact OG1-OD2 3.21Å |
| 542 | H | 75.4 | Confident | 66.7 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.5 | 176.4 | -61 | -79.7 | 0 | 0 | 0 | 109.8 | P383 I384 M485 I486 G540 | P383-H542 VanDerWaalsContact CG-CE1 3.47Å; P383-H542 WeakPolarHBondContact CG-CE1 3.39Å; P383-H542 WeakPolarHBondContact CG-ND1 3.08Å; I384-H542 HydrophobicContact CD1-CB 3.84Å; I384-H542 HydrophobicContact CG1-CB 4.46Å; M485-H542 WeakPolarHBondContact CA-O 3.36Å; I486-H542 PolarHBondContact N-O 3.38Å; I486-H542 PolarHBondContact O-N 3.32Å; G540-H542 PolarHBondContact O-CD2 3.31Å; G540-H542 VanDerWaalsContact O-CD2 3.25Å |
| 543 | V | 80.1 | Confident | 69.1 | Low | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.1 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | C484 M485 F535 F537 | C484-V543 CarbonylContact O-C 3.49Å; C484-V543 VanDerWaalsContact O-CA 3.3Å; C484-V543 WeakPolarHBondContact O-CA 3.32Å; M485-V543 HydrophobicContact CB-CG2 4.5Å; F535-V543 HydrophobicContact CD2-CG2 3.81Å; F535-V543 HydrophobicContact CE2-CG1 4.06Å; F535-V543 HydrophobicContact CE2-CG2 3.82Å; F535-V543 HydrophobicContact CG-CG2 4.28Å; F535-V543 HydrophobicContact CZ-CG1 4.42Å; F535-V543 HydrophobicContact CZ-CG2 4.28Å; F537-V543 HydrophobicContact CE1-CG2 3.79Å; F537-V543 HydrophobicContact CZ-CG2 3.96Å |
| 544 | V | 85.9 | Confident | 71.7 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148 | 176 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | I384 F386 F408 C484 I486 | I384-V544 HydrophobicContact CB-CG1 4.16Å; I384-V544 HydrophobicContact CG2-CG1 4.23Å; F386-V544 HydrophobicContact CB-CB 3.92Å; F386-V544 HydrophobicContact CB-CG2 3.65Å; F386-V544 HydrophobicContact CD1-CB 4.22Å; F386-V544 HydrophobicContact CD1-CG2 3.69Å; F386-V544 HydrophobicContact CG-CB 4.48Å; F386-V544 HydrophobicContact CG-CG2 3.86Å; F408-V544 HydrophobicContact CD1-CG2 3.9Å; F408-V544 HydrophobicContact CE1-CG2 3.75Å; C484-V544 HydrophobicContact CB-CG2 4.22Å; C484-V544 PolarHBondContact N-O 2.89Å; C484-V544 PolarHBondContact O-N 3.23Å; I486-V544 HydrophobicContact CD1-CB 4.34Å; I486-V544 HydrophobicContact CD1-CG1 4.32Å; I486-V544 HydrophobicContact CD1-CG2 3.21Å |
| 545 | S | 89.4 | Confident | 74 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.4 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | F482 S483 | F482-S545 CarbonylContact O-C 3.48Å; F482-S545 WeakPolarHBondContact O-CA 3.36Å; F482-S545 VanDerWaalsContact O-CB 3.27Å; F482-S545 WeakPolarHBondContact O-CB 3.16Å; S483-S545 PolarHBondContact OG-OG 3.34Å |
| 546 | R | 91.9 | Very high | 76.4 | Confident | 102 Ų | 102 | 59 Ų | 59 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 131.4 | -179.7 | -162.2 | 71.6 | 171.9 | -173.4 | -8.9 | 111.1 | F386 I388 F482 | F386-R546 HydrophobicContact CD1-CB 3.44Å; F386-R546 VanDerWaalsContact CD1-CB 3.44Å; F386-R546 HydrophobicContact CE1-CB 3.28Å; F386-R546 HydrophobicContact CE2-CB 4.45Å; F386-R546 HydrophobicContact CG-CB 4.12Å; F386-R546 HydrophobicContact CZ-CB 3.83Å; I388-R546 HydrophobicContact CD1-CB 3.95Å; I388-R546 HydrophobicContact CD1-CG 3.82Å; I388-R546 HydrophobicContact CG1-CB 4.32Å; I388-R546 HydrophobicContact CG1-CG 4.04Å; F482-R546 WeakPolarHBondContact CB-O 3.37Å; F482-R546 PolarHBondContact N-O 2.87Å; F482-R546 PolarHBondContact O-N 3.19Å |
| 547 | K | 92.3 | Very high | 78.8 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.6 | 173.9 | 177 | 175.1 | 176.1 | 177.1 | 0 | 110.3 | I429 E479 V480 | I429-K547 HydrophobicContact CD1-CB 4.17Å; I429-K547 HydrophobicContact CD1-CD 3.62Å; I429-K547 HydrophobicContact CD1-CG 3.61Å; E479-K547 IonicContact OE1-NZ 2.73Å; E479-K547 PolarHBondContact OE1-NZ 3.06Å; E479-K547 VanDerWaalsContact OE2-CE 3.23Å; E479-K547 WeakPolarHBondContact OE2-CE 3.48Å; E479-K547 IonicContact OE2-NZ 2.72Å; E479-K547 PolarHBondContact OE2-NZ 2.72Å; V480-K547 WeakPolarHBondContact O-CA 3.27Å |
| 548 | L | 93.6 | Very high | 80.8 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.7 | 169.2 | -175.4 | 64.9 | 0 | 0 | 0 | 109.6 | I388 V395 V398 I404 V480 F482 V550 | I388-L548 HydrophobicContact CD1-CB 3.96Å; I388-L548 HydrophobicContact CG2-CD1 4.15Å; I388-L548 HydrophobicContact CG2-CD2 4.22Å; V395-L548 HydrophobicContact CG2-CD1 4.32Å; V398-L548 HydrophobicContact CG1-CD1 4.19Å; V398-L548 HydrophobicContact CG1-CD2 3.86Å; V398-L548 HydrophobicContact CG1-CG 4.19Å; I404-L548 HydrophobicContact CD1-CD2 3.73Å; V480-L548 HydrophobicContact CG2-CB 4.02Å; V480-L548 PolarHBondContact N-O 2.93Å; V480-L548 PolarHBondContact O-N 2.87Å; F482-L548 HydrophobicContact CD2-CB 4.23Å; F482-L548 HydrophobicContact CE2-CB 3.82Å; F482-L548 HydrophobicContact CE2-CD2 3.84Å; F482-L548 HydrophobicContact CZ-CD2 4.29Å; L548-V550 HydrophobicContact CD2-CG2 3.77Å; L548-V550 HydrophobicContact CG-CG2 3.93Å |
| 549 | I | 91.7 | Very high | 82 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.7 | 172.3 | -66.5 | 172.5 | 0 | 0 | 0 | 108.6 | K396 A397 V398 S478 E479 V551 F560 V566 | K396-I549 PolarHBondContact O-N 3.39Å; A397-I549 CarbonylContact C-O 3.52Å; A397-I549 WeakPolarHBondContact CA-O 3.33Å; A397-I549 HydrophobicContact CB-CB 3.88Å; A397-I549 HydrophobicContact CB-CG2 4.16Å; A397-I549 WeakPolarHBondContact CB-O 3.18Å; V398-I549 PolarHBondContact N-O 3.03Å; S478-I549 CarbonylContact O-C 3.59Å; S478-I549 VanDerWaalsContact O-CA 3.31Å; S478-I549 WeakPolarHBondContact O-CA 3.36Å; E479-I549 HydrophobicContact CG-CG1 4.24Å; I549-V551 HydrophobicContact CG2-CG1 3.95Å; I549-F560 HydrophobicContact CD1-CD2 4.03Å; I549-F560 HydrophobicContact CD1-CE1 4.22Å; I549-F560 HydrophobicContact CD1-CE2 3.2Å; I549-F560 HydrophobicContact CD1-CZ 3.33Å; I549-F560 HydrophobicContact CG1-CZ 4.49Å; I549-F560 HydrophobicContact CG2-CD2 4.46Å; I549-V566 HydrophobicContact CD1-CG2 4.02Å; I549-V566 HydrophobicContact CG1-CG2 4.5Å; I549-V566 HydrophobicContact CG2-CG2 3.72Å |
| 550 | V | 88.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 109.4 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V398 I400 A471 R473 S478 V480 L548 | V398-V550 HydrophobicContact CG1-CG2 3.94Å; V398-V550 CarbonylContact O-C 3.56Å; V398-V550 VanDerWaalsContact O-CA 3.32Å; V398-V550 WeakPolarHBondContact O-CA 3.28Å; I400-V550 HydrophobicContact CB-CG1 3.98Å; I400-V550 HydrophobicContact CG1-CG1 4.4Å; A471-V550 HydrophobicContact CB-CG1 4.37Å; A471-V550 HydrophobicContact CB-CG2 4.47Å; R473-V550 HydrophobicContact CB-CB 3.8Å; R473-V550 HydrophobicContact CB-CG1 3.87Å; R473-V550 WeakPolarHBondContact CD-O 3.47Å; R473-V550 HydrophobicContact CG-CG1 4.48Å; S478-V550 VanDerWaalsContact CB-O 3.25Å; S478-V550 WeakPolarHBondContact CB-O 3.35Å; S478-V550 PolarHBondContact O-N 3.01Å; V480-V550 HydrophobicContact CG2-CG2 4.39Å; L548-V550 HydrophobicContact CD2-CG2 3.77Å; L548-V550 HydrophobicContact CG-CG2 3.93Å |
| 551 | V | 86.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 161.9 | -175.5 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | V398 V399 I400 I549 S553 E556 L557 | V398-V551 WeakPolarHBondContact O-CG2 3.21Å; V398-V551 PolarHBondContact O-N 2.04Å; V399-V551 CarbonylContact C-O 3.51Å; V399-V551 WeakPolarHBondContact CA-O 3.05Å; V399-V551 HydrophobicContact CG2-CG2 4.24Å; I400-V551 PolarHBondContact N-O 3.16Å; I549-V551 HydrophobicContact CG2-CG1 3.95Å; V551-S553 WeakPolarHBondContact CG2-O 3.38Å; V551-E556 HydrophobicContact CB-CB 3.76Å; V551-E556 WeakPolarHBondContact CB-OE2 3.29Å; V551-E556 HydrophobicContact CG1-CB 4.17Å; V551-E556 HydrophobicContact CG2-CB 4.19Å; V551-L557 HydrophobicContact CG2-CB 3.74Å; V551-L557 HydrophobicContact CG2-CD1 4.4Å |
| 552 | N | 83 | Confident | 85 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.6 | -24.2 | -176.4 | -57.6 | -56.7 | 0 | 0 | 0 | 113.5 | R473 E556 | R473-N552 PolarHBondContact NE-OD1 3.29Å; R473-N552 PolarHBondContact NH2-ND2 3.16Å; R473-N552 PolarHBondContact NH2-OD1 3.28Å; N552-E556 PolarHBondContact N-OE2 2.98Å; N552-E556 PolarHBondContact ND2-OE1 3.13Å; N552-E556 PolarHBondContact ND2-OE2 2.79Å |
| 553 | S | 83 | Confident | 85.5 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -148.7 | 162.3 | -174.2 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | V551 H555 E556 L557 | V551-S553 WeakPolarHBondContact CG2-O 3.38Å; S553-H555 PolarHBondContact O-N 2.77Å; S553-H555 PolarHBondContact OG-N 2.89Å; S553-E556 PolarHBondContact O-N 3.05Å; S553-E556 PolarHBondContact OG-N 2.82Å; S553-L557 PolarHBondContact O-N 3.01Å |
| 554 | V | 82.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -33 | 172.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | V399 L557 Q558 | V399-V554 HydrophobicContact CG2-CG2 4.13Å; V554-L557 WeakPolarHBondContact O-CB 3.34Å; V554-L557 PolarHBondContact O-N 3.23Å; V554-Q558 WeakPolarHBondContact O-CG 3.4Å; V554-Q558 PolarHBondContact O-N 3.48Å |
| 555 | H | 79.7 | Confident | 85.2 | Confident | 147 Ų | 147 | 68 Ų | 68 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 176.9 | -62.6 | 94.5 | 0 | 0 | 0 | 111.7 | S553 L557 Q558 Y559 | S553-H555 PolarHBondContact O-N 2.77Å; S553-H555 PolarHBondContact OG-N 2.89Å; H555-L557 VanDerWaalsContact C-N 3.29Å; H555-L557 PolarHBondContact O-N 2.83Å; H555-Q558 PolarHBondContact O-N 3.3Å; H555-Y559 PolarHBondContact O-N 2.57Å |
| 556 | E | 86 | Confident | 84.2 | Confident | 37 Ų | 37 | 67 Ų | 67 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 174.7 | -67.1 | -175.8 | -175.1 | 0 | 0 | 111.3 | V551 N552 S553 Y559 F560 P567 | V551-E556 HydrophobicContact CB-CB 3.76Å; V551-E556 WeakPolarHBondContact CB-OE2 3.29Å; V551-E556 HydrophobicContact CG1-CB 4.17Å; V551-E556 HydrophobicContact CG2-CB 4.19Å; N552-E556 PolarHBondContact N-OE2 2.98Å; N552-E556 PolarHBondContact ND2-OE1 3.13Å; N552-E556 PolarHBondContact ND2-OE2 2.79Å; S553-E556 PolarHBondContact O-N 3.05Å; S553-E556 PolarHBondContact OG-N 2.82Å; E556-Y559 PolarHBondContact O-N 3.04Å; E556-F560 WeakPolarHBondContact O-CB 3.48Å; E556-F560 PolarHBondContact O-N 2.96Å; E556-P567 HydrophobicContact CB-CG 3.85Å; E556-P567 HydrophobicContact CG-CB 4.36Å; E556-P567 HydrophobicContact CG-CG 3.87Å |
| 557 | L | 83.6 | Confident | 82.6 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 176 | -178.3 | 59.7 | 0 | 0 | 0 | 111 | A397 V399 V551 S553 V554 H555 Y559 F560 L561 | A397-L557 HydrophobicContact CB-CD1 3.52Å; V399-L557 HydrophobicContact CG2-CB 4.21Å; V399-L557 HydrophobicContact CG2-CD2 3.95Å; V551-L557 HydrophobicContact CG2-CB 3.74Å; V551-L557 HydrophobicContact CG2-CD1 4.4Å; S553-L557 PolarHBondContact O-N 3.01Å; V554-L557 WeakPolarHBondContact O-CB 3.34Å; V554-L557 PolarHBondContact O-N 3.23Å; H555-L557 VanDerWaalsContact C-N 3.29Å; H555-L557 PolarHBondContact O-N 2.83Å; L557-Y559 VanDerWaalsContact C-N 3.3Å; L557-Y559 PolarHBondContact O-N 3.29Å; L557-F560 PolarHBondContact O-N 3.43Å; L557-L561 HydrophobicContact CD1-CD1 4.27Å; L557-L561 HydrophobicContact CD1-CG 4.23Å; L557-L561 HydrophobicContact CG-CD1 4.03Å; L557-L561 HydrophobicContact CG-CG 4.42Å; L557-L561 WeakPolarHBondContact O-CB 3.04Å; L557-L561 VanDerWaalsContact O-CG 3.27Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.2Å |
| 558 | Q | 81.5 | Confident | 80.8 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 176.4 | -73.6 | 174.2 | -6.2 | 0 | 0 | 111.8 | V554 H555 L561 K562 | V554-Q558 WeakPolarHBondContact O-CG 3.4Å; V554-Q558 PolarHBondContact O-N 3.48Å; H555-Q558 PolarHBondContact O-N 3.3Å; Q558-L561 PolarHBondContact O-N 3.43Å; Q558-K562 VanDerWaalsContact O-CB 3.3Å; Q558-K562 WeakPolarHBondContact O-CB 3.27Å; Q558-K562 PolarHBondContact O-N 3.15Å |
| 559 | Y | 80.3 | Confident | 78.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.6 | 178.9 | -88.4 | 0 | 0 | 0 | 111.7 | H555 E556 L557 K562 T563 N565 P567 | H555-Y559 PolarHBondContact O-N 2.57Å; E556-Y559 PolarHBondContact O-N 3.04Å; L557-Y559 VanDerWaalsContact C-N 3.3Å; L557-Y559 PolarHBondContact O-N 3.29Å; Y559-K562 PolarHBondContact O-N 3.1Å; Y559-T563 HydrophobicContact CD1-CG2 4.49Å; Y559-T563 WeakPolarHBondContact CD1-OG1 3.4Å; Y559-T563 HydrophobicContact CD2-CG2 4.1Å; Y559-T563 HydrophobicContact CE1-CG2 4.27Å; Y559-T563 VanDerWaalsContact CE1-OG1 3.29Å; Y559-T563 WeakPolarHBondContact CE1-OG1 3.05Å; Y559-T563 HydrophobicContact CE2-CG2 3.82Å; Y559-T563 HydrophobicContact CG-CG2 4.44Å; Y559-T563 WeakPolarHBondContact O-CB 3.27Å; Y559-T563 WeakPolarHBondContact O-CG2 3.34Å; Y559-T563 PolarHBondContact O-N 2.9Å; Y559-T563 PolarHBondContact O-OG1 2.85Å; Y559-N565 VanDerWaalsContact CD1-O 3.27Å; Y559-N565 WeakPolarHBondContact CD1-O 3.4Å; Y559-N565 HydrophobicContact CE1-CB 4Å; Y559-N565 VanDerWaalsContact CE1-O 3.32Å; Y559-N565 WeakPolarHBondContact CE1-O 3.31Å; Y559-P567 HydrophobicContact CD1-CB 4.39Å; Y559-P567 HydrophobicContact CD1-CG 3.49Å; Y559-P567 VanDerWaalsContact CD1-CG 3.49Å; Y559-P567 HydrophobicContact CE1-CG 4.09Å; Y559-P567 HydrophobicContact CG-CG 4.04Å |
| 560 | F | 83.7 | Confident | 75.5 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 10% | 0.101 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 177.4 | 172.5 | -97.6 | 0 | 0 | 0 | 111.9 | K396 A397 I549 E556 L557 K562 T563 G564 N565 V566 | K396-F560 HydrophobicContact CB-CE1 4.44Å; A397-F560 HydrophobicContact CB-CD1 3.34Å; A397-F560 HydrophobicContact CB-CE1 3.46Å; A397-F560 VanDerWaalsContact CB-CE1 3.46Å; A397-F560 HydrophobicContact CB-CG 4.26Å; A397-F560 HydrophobicContact CB-CZ 4.46Å; I549-F560 HydrophobicContact CD1-CD2 4.03Å; I549-F560 HydrophobicContact CD1-CE1 4.22Å; I549-F560 HydrophobicContact CD1-CE2 3.2Å; I549-F560 HydrophobicContact CD1-CZ 3.33Å; I549-F560 HydrophobicContact CG1-CZ 4.49Å; I549-F560 HydrophobicContact CG2-CD2 4.46Å; E556-F560 WeakPolarHBondContact O-CB 3.48Å; E556-F560 PolarHBondContact O-N 2.96Å; L557-F560 PolarHBondContact O-N 3.43Å; F560-K562 PolarHBondContact O-N 2.83Å; F560-T563 PolarHBondContact O-N 3.36Å; F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 VanDerWaalsContact O-CA 3.29Å; F560-G564 WeakPolarHBondContact O-CA 3.18Å; F560-G564 PolarHBondContact O-N 2.99Å; F560-N565 WeakPolarHBondContact CA-O 3.46Å; F560-V566 HydrophobicContact CD2-CG2 4.08Å; F560-V566 HydrophobicContact CE2-CG2 4.41Å |
| 561 | L | 84.6 | Confident | 72.7 | Confident | 123 Ų | 123 | 80.4 Ų | 80.4 | 64% | 0.644 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.5 | -31.6 | 177.9 | -68.6 | 174.1 | 0 | 0 | 0 | 112.4 | L557 Q558 | L557-L561 HydrophobicContact CD1-CD1 4.27Å; L557-L561 HydrophobicContact CD1-CG 4.23Å; L557-L561 HydrophobicContact CG-CD1 4.03Å; L557-L561 HydrophobicContact CG-CG 4.42Å; L557-L561 WeakPolarHBondContact O-CB 3.04Å; L557-L561 VanDerWaalsContact O-CG 3.27Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.2Å; Q558-L561 PolarHBondContact O-N 3.43Å |
| 562 | K | 81.5 | Confident | 69.8 | Low | 188 Ų | 188 | 85.8 Ų | 85.8 | 82% | 0.817 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -81.5 | -37.1 | 179 | -174.4 | 176.5 | 179.4 | -179.4 | 0 | 113.5 | Q558 Y559 F560 | Q558-K562 VanDerWaalsContact O-CB 3.3Å; Q558-K562 WeakPolarHBondContact O-CB 3.27Å; Q558-K562 PolarHBondContact O-N 3.15Å; Y559-K562 PolarHBondContact O-N 3.1Å; F560-K562 PolarHBondContact O-N 2.83Å |
| 563 | T | 85.5 | Confident | 67.1 | Low | 57 Ų | 57 | 87.3 Ų | 87.3 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -110.5 | -18.4 | -168.6 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | Y559 F560 N565 | Y559-T563 HydrophobicContact CD1-CG2 4.49Å; Y559-T563 WeakPolarHBondContact CD1-OG1 3.4Å; Y559-T563 HydrophobicContact CD2-CG2 4.1Å; Y559-T563 HydrophobicContact CE1-CG2 4.27Å; Y559-T563 VanDerWaalsContact CE1-OG1 3.29Å; Y559-T563 WeakPolarHBondContact CE1-OG1 3.05Å; Y559-T563 HydrophobicContact CE2-CG2 3.82Å; Y559-T563 HydrophobicContact CG-CG2 4.44Å; Y559-T563 WeakPolarHBondContact O-CB 3.27Å; Y559-T563 WeakPolarHBondContact O-CG2 3.34Å; Y559-T563 PolarHBondContact O-N 2.9Å; Y559-T563 PolarHBondContact O-OG1 2.85Å; F560-T563 PolarHBondContact O-N 3.36Å; T563-N565 PolarHBondContact O-N 2.78Å; T563-N565 PolarHBondContact OG1-N 2.89Å; T563-N565 VanDerWaalsContact OG1-N 3.08Å; T563-N565 PolarHBondContact OG1-O 3.36Å |
| 564 | G | 82.2 | Confident | 64.4 | Low | 51 Ų | 51 | 88.5 Ų | 88.5 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 72.1 | -1.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F560 | F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 VanDerWaalsContact O-CA 3.29Å; F560-G564 WeakPolarHBondContact O-CA 3.18Å; F560-G564 PolarHBondContact O-N 2.99Å |
| 565 | N | 77.4 | Confident | 62 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 138.3 | -176.9 | -64.4 | -39.8 | 0 | 0 | 0 | 110.6 | Y559 F560 T563 | Y559-N565 VanDerWaalsContact CD1-O 3.27Å; Y559-N565 WeakPolarHBondContact CD1-O 3.4Å; Y559-N565 HydrophobicContact CE1-CB 4Å; Y559-N565 VanDerWaalsContact CE1-O 3.32Å; Y559-N565 WeakPolarHBondContact CE1-O 3.31Å; F560-N565 WeakPolarHBondContact CA-O 3.46Å; T563-N565 PolarHBondContact O-N 2.78Å; T563-N565 PolarHBondContact OG1-N 2.89Å; T563-N565 VanDerWaalsContact OG1-N 3.08Å; T563-N565 PolarHBondContact OG1-O 3.36Å |
| 566 | V | 69 | Low | 59.5 | Low | 34 Ų | 34 | 97.1 Ų | 97.1 | 21% | 0.206 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -77 | 130.4 | 168.3 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | I549 F560 S568 | I549-V566 HydrophobicContact CD1-CG2 4.02Å; I549-V566 HydrophobicContact CG1-CG2 4.5Å; I549-V566 HydrophobicContact CG2-CG2 3.72Å; F560-V566 HydrophobicContact CD2-CG2 4.08Å; F560-V566 HydrophobicContact CE2-CG2 4.41Å; V566-S568 PolarHBondContact O-N 2.87Å; V566-S568 VanDerWaalsContact O-N 3.08Å |
| 567 | P | 59.3 | Low | 56.9 | Low | 34 Ų | 34 | 104.3 Ų | 104.3 | 22% | 0.221 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -55.8 | 119 | 172 | -21 | 31.6 | 0 | 0 | 0 | 109 | E556 Y559 G569 | E556-P567 HydrophobicContact CB-CG 3.85Å; E556-P567 HydrophobicContact CG-CB 4.36Å; E556-P567 HydrophobicContact CG-CG 3.87Å; Y559-P567 HydrophobicContact CD1-CB 4.39Å; Y559-P567 HydrophobicContact CD1-CG 3.49Å; Y559-P567 VanDerWaalsContact CD1-CG 3.49Å; Y559-P567 HydrophobicContact CE1-CG 4.09Å; Y559-P567 HydrophobicContact CG-CG 4.04Å; P567-G569 VanDerWaalsContact C-N 3.27Å; P567-G569 PolarHBondContact O-N 3.43Å |
| 568 | S | 54.8 | Low | 54.5 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | trans | -64.2 | 94.8 | 168 | -55.3 | 0 | 0 | 0 | 0 | 107 | V566 V570 | V566-S568 PolarHBondContact O-N 2.87Å; V566-S568 VanDerWaalsContact O-N 3.08Å; S568-V570 PolarHBondContact O-N 2.98Å | ||
| 569 | G | 44.6 | Very low | 53.2 | Low | 58 Ų | 58 | 109.8 Ų | 109.8 | 60% | 0.598 | 66% | 0.66 | S | S | * | * | trans | -51.7 | 119.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | P567 Q571 | P567-G569 VanDerWaalsContact C-N 3.27Å; P567-G569 PolarHBondContact O-N 3.43Å; G569-Q571 VanDerWaalsContact C-N 3.34Å; G569-Q571 PolarHBondContact O-N 3.31Å | ||
| 570 | V | 28.4 | Very low | 51.7 | Low | 133 Ų | 133 | 109.8 Ų | 109.8 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | trans | -14 | 89.8 | -174 | -177 | 0 | 0 | 0 | 0 | 111.1 | S568 S572 | S568-V570 PolarHBondContact O-N 2.98Å; V570-S572 PolarHBondContact O-N 3.16Å | ||
| 571 | Q | 29.1 | Very low | 50 | Low | 160 Ų | 160 | 114.7 Ų | 114.7 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -58.1 | 117 | 154.2 | -73.6 | -176.5 | 0.4 | 0 | 0 | 102.7 | G569 A573 | G569-Q571 VanDerWaalsContact C-N 3.34Å; G569-Q571 PolarHBondContact O-N 3.31Å; Q571-A573 PolarHBondContact O-N 3.05Å | ||
| 572 | S | 27 | Very low | 47.9 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | -50.1 | 99.9 | 168.8 | -54.9 | 0 | 0 | 0 | 0 | 107.2 | V570 G574 | V570-S572 PolarHBondContact O-N 3.16Å; S572-G574 PolarHBondContact O-N 3.18Å | ||
| 573 | A | 25.1 | Very low | 45.8 | Very low | 102 Ų | 102 | 109.6 Ų | 109.6 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -66.1 | 117.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q571 | Q571-A573 PolarHBondContact O-N 3.05Š| ||
| 574 | G | 27.8 | Very low | 43.2 | Very low | 61 Ų | 61 | 113.1 Ų | 113.1 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | 123.7 | 87.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S572 | S572-G574 PolarHBondContact O-N 3.18Š| ||
| 575 | F | 30.8 | Very low | 40.4 | Very low | 204 Ų | 204 | 117.5 Ų | 117.5 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | -171 | 83.7 | 106.6 | -113.9 | -90 | 0 | 0 | 0 | 108.8 | |||||
| 576 | F | 27.3 | Very low | 37.5 | Very low | 207 Ų | 207 | 119.1 Ų | 119.1 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | -98.5 | 142.7 | 152.9 | -98.5 | -86.8 | 0 | 0 | 0 | 106.8 | ||||
| 577 | Q | 30.9 | Very low | 34.9 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 95.7 | 108 | 178.1 | -60.4 | -175.8 | -22.8 | 0 | 0 | 115.9 | ||||
| 578 | G | 33.9 | Very low | 32.7 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 100% | 1.608 | 85% | 0.853 | S | S | * | * | trans | 151.4 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 578 of 578 residues in 149.2 ms
(Link to these results)