| 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 | 38.1 | Very low | 78.6 | Confident | 230 Ų | 230 | 75.1 Ų | 75.1 | 100% | 1.133 | 42% | 0.418 | S | S | * | . | 0 | 123 | 0 | -68.8 | 179.5 | -163.4 | 0 | 0 | 107.2 | S3 | M1-S3 PolarHBondContact O-N 3.11Š| |||
| 2 | S | 51.9 | Low | 79.4 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 20% | 0.203 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 127.3 | 170.1 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | T4 | S2-T4 PolarHBondContact O-N 2.86Š|
| 3 | S | 60.9 | Low | 78.8 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 123.3 | 170.3 | -65.5 | 0 | 0 | 0 | 0 | 108.4 | M1 | M1-S3 PolarHBondContact O-N 3.11Š|
| 4 | T | 75.3 | Confident | 78.1 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 133.6 | 177.3 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | S2 Y6 R23 | S2-T4 PolarHBondContact O-N 2.86Å; T4-Y6 PolarHBondContact O-N 2.7Å; T4-Y6 PolarHBondContact OG1-O 3.28Å; T4-R23 PolarHBondContact O-NH1 3.34Å |
| 5 | L | 88.1 | Confident | 77.6 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 5% | 0.047 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -78.3 | -10.9 | -179.4 | -65.7 | 177.5 | 0 | 0 | 0 | 113.2 | R23 W27 Y60 P61 V63 W168 | L5-R23 PolarHBondContact O-N 3.44Å; L5-W27 HydrophobicContact CD1-CH2 3.69Å; L5-W27 HydrophobicContact CD1-CZ2 4.26Å; L5-W27 HydrophobicContact CD2-CH2 3.64Å; L5-W27 HydrophobicContact CD2-CZ2 3.87Å; L5-W27 HydrophobicContact CG-CH2 4.31Å; L5-Y60 HydrophobicContact CD2-CD1 3.94Å; L5-P61 HydrophobicContact CD1-CG 3.61Å; L5-P61 HydrophobicContact CG-CG 4.15Å; L5-V63 HydrophobicContact CD1-CG2 4.04Å; L5-W168 HydrophobicContact CB-CH2 3.61Å; L5-W168 HydrophobicContact CB-CZ2 4.24Å; L5-W168 HydrophobicContact CD1-CH2 3.63Å; L5-W168 HydrophobicContact CD1-CZ2 4.21Å; L5-W168 HydrophobicContact CG-CH2 4.29Å |
| 6 | Y | 92.8 | Very high | 77.7 | Confident | 17 Ų | 17 | 79.5 Ų | 79.5 | 7% | 0.067 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160.9 | -174.4 | 62.3 | -91.3 | 0 | 0 | 0 | 111.5 | T4 V8 S21 I112 E166 W168 | T4-Y6 PolarHBondContact O-N 2.7Å; T4-Y6 PolarHBondContact OG1-O 3.28Å; Y6-V8 HydrophobicContact CD2-CG2 4.27Å; Y6-V8 HydrophobicContact CE2-CG2 3.76Å; Y6-S21 CarbonylContact C-O 3.48Å; Y6-S21 WeakPolarHBondContact CA-O 3.49Å; Y6-S21 VanDerWaalsContact CB-O 3.3Å; Y6-S21 WeakPolarHBondContact CB-O 3.13Å; Y6-I112 HydrophobicContact CD1-CD1 3.89Å; Y6-I112 HydrophobicContact CD2-CD1 3.54Å; Y6-I112 HydrophobicContact CE1-CD1 3.77Å; Y6-I112 HydrophobicContact CE2-CD1 3.39Å; Y6-I112 HydrophobicContact CG-CD1 3.79Å; Y6-E166 WeakPolarHBondContact CE1-OE2 3.45Å; Y6-E166 PolarHBondContact OH-OE1 3.38Å; Y6-E166 VanDerWaalsContact OH-OE1 3.1Å; Y6-W168 HydrophobicContact CD1-CH2 4.03Å; Y6-W168 AromaticContact CD1-CZ2 3.45Å; Y6-W168 HydrophobicContact CD1-CZ2 3.45Å; Y6-W168 VanDerWaalsContact CD1-CZ2 3.45Å; Y6-W168 AromaticContact CE1-CZ2 3.79Å; Y6-W168 HydrophobicContact CE1-CZ2 3.79Å |
| 7 | D | 93.1 | Very high | 78.4 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.6 | 167.1 | -66.4 | -63.8 | 0 | 0 | 0 | 109.5 | L9 G20 S21 R23 | D7-L9 PolarHBondContact O-N 3.47Å; D7-G20 CarbonylContact O-C 3.55Å; D7-G20 WeakPolarHBondContact O-CA 3.42Å; D7-S21 PolarHBondContact N-O 3.25Å; D7-S21 PolarHBondContact O-N 3.29Å; D7-R23 IonicContact OD1-CZ 2.67Å; D7-R23 IonicContact OD1-NE 3.5Å; D7-R23 IonicContact OD1-NH2 3.75Å; D7-R23 PolarHBondContact OD1-NH2 3.06Å; D7-R23 IonicContact OD2-CZ 3.92Å; D7-R23 IonicContact OD2-NE 3.9Å; D7-R23 PolarHBondContact OD2-NE 3.41Å; D7-R23 IonicContact OD2-NH2 2.77Å |
| 8 | V | 91.5 | Very high | 79.2 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | Y6 | Y6-V8 HydrophobicContact CD2-CG2 4.27Å; Y6-V8 HydrophobicContact CE2-CG2 3.76Å |
| 9 | L | 92.3 | Very high | 80.1 | Confident | 91 Ų | 91 | 72.8 Ų | 72.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -50.2 | 176.9 | -59.3 | 179.6 | 0 | 0 | 0 | 111 | D7 K19 | D7-L9 PolarHBondContact O-N 3.47Å; L9-K19 HydrophobicContact CB-CG 4.46Å; L9-K19 HydrophobicContact CD1-CG 4.35Å; L9-K19 PolarHBondContact N-O 2.62Å |
| 10 | E | 91.8 | Very high | 80.8 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159 | -176.6 | -67.5 | 174 | -131.8 | 0 | 0 | 110.4 | Y12 K18 K19 | E10-Y12 HydrophobicContact CB-CE1 4.26Å; E10-Y12 HydrophobicContact CB-CE2 4.16Å; E10-Y12 VanDerWaalsContact CD-OH 3.23Å; E10-Y12 WeakPolarHBondContact OE2-CE1 3.25Å; E10-Y12 VanDerWaalsContact OE2-CZ 3.27Å; E10-Y12 PolarHBondContact OE2-OH 2.89Å; E10-K18 WeakPolarHBondContact O-CA 3.35Å; E10-K19 HydrophobicContact CB-CB 4.15Å; E10-K19 PolarHBondContact N-O 3.2Å; E10-K19 PolarHBondContact O-N 3.02Å |
| 11 | S | 89.3 | Confident | 81.6 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.5 | 174.9 | -64 | 0 | 0 | 0 | 0 | 109.1 | ||
| 12 | Y | 87.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 56 Ų | 56 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 162.4 | -176 | -47.7 | -80.6 | 0 | 0 | 0 | 110.6 | E10 S14 G15 K16 V17 K19 Y111 F141 | E10-Y12 HydrophobicContact CB-CE1 4.26Å; E10-Y12 HydrophobicContact CB-CE2 4.16Å; E10-Y12 VanDerWaalsContact CD-OH 3.23Å; E10-Y12 WeakPolarHBondContact OE2-CE1 3.25Å; E10-Y12 VanDerWaalsContact OE2-CZ 3.27Å; E10-Y12 PolarHBondContact OE2-OH 2.89Å; Y12-S14 PolarHBondContact O-N 3.1Å; Y12-G15 WeakPolarHBondContact O-CA 3.49Å; Y12-G15 PolarHBondContact O-N 3.24Å; Y12-K16 PolarHBondContact O-N 3.42Å; Y12-V17 HydrophobicContact CD2-CB 4.43Å; Y12-V17 HydrophobicContact CD2-CG1 4.19Å; Y12-V17 PolarHBondContact N-O 3.34Å; Y12-K19 HydrophobicContact CE2-CB 3.94Å; Y12-Y111 HydrophobicContact CE2-CD1 4.44Å; Y12-Y111 HydrophobicContact CE2-CE1 4.1Å; Y12-F141 AromaticContact CD1-CE1 3.98Å; Y12-F141 HydrophobicContact CD1-CE1 3.98Å; Y12-F141 AromaticContact CD1-CZ 3.94Å; Y12-F141 HydrophobicContact CD1-CZ 3.94Å; Y12-F141 AromaticContact CD2-CE1 3.8Å; Y12-F141 HydrophobicContact CD2-CE1 3.8Å; Y12-F141 AromaticContact CD2-CZ 3.85Å; Y12-F141 HydrophobicContact CD2-CZ 3.85Å; Y12-F141 AromaticContact CE1-CE1 3.96Å; Y12-F141 HydrophobicContact CE1-CE1 3.96Å; Y12-F141 HydrophobicContact CE1-CZ 4.4Å; Y12-F141 AromaticContact CE2-CE1 3.75Å; Y12-F141 HydrophobicContact CE2-CE1 3.75Å; Y12-F141 HydrophobicContact CE2-CZ 4.28Å; Y12-F141 AromaticContact CG-CE1 3.9Å; Y12-F141 HydrophobicContact CG-CE1 3.9Å; Y12-F141 AromaticContact CG-CZ 3.65Å; Y12-F141 HydrophobicContact CG-CZ 3.65Å; Y12-F141 AromaticContact CZ-CE1 3.84Å |
| 13 | E | 72.5 | Confident | 86.3 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 46.7 | 56.7 | 172.2 | -58.9 | -163.4 | 165.6 | 0 | 0 | 114.3 | G15 K16 | E13-G15 PolarHBondContact O-N 3.4Å; E13-G15 VanDerWaalsContact O-N 3.08Å; E13-K16 HydrophobicContact CB-CB 4.46Å; E13-K16 WeakPolarHBondContact O-CG 3.45Å; E13-K16 PolarHBondContact O-N 3.35Å |
| 14 | S | 69.3 | Low | 87.8 | Confident | 139 Ų | 139 | 61.1 Ų | 61.1 | 97% | 0.972 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | 57.9 | 23 | -178 | -58.4 | 0 | 0 | 0 | 0 | 114.5 | Y12 | Y12-S14 PolarHBondContact O-N 3.1Š|
| 15 | G | 69.9 | Low | 88.5 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | 96.4 | 5.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y12 E13 | Y12-G15 WeakPolarHBondContact O-CA 3.49Å; Y12-G15 PolarHBondContact O-N 3.24Å; E13-G15 PolarHBondContact O-N 3.4Å; E13-G15 VanDerWaalsContact O-N 3.08Å |
| 16 | K | 79.1 | Confident | 88.6 | Confident | 131 Ų | 131 | 60.5 Ų | 60.5 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -38.9 | 176.9 | -70.2 | -175.4 | 179.2 | -176 | 0 | 112.8 | Y12 E13 | Y12-K16 PolarHBondContact O-N 3.42Å; E13-K16 HydrophobicContact CB-CB 4.46Å; E13-K16 WeakPolarHBondContact O-CG 3.45Å; E13-K16 PolarHBondContact O-N 3.35Å |
| 17 | V | 89.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.5 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | Y12 Y111 F132 L136 | Y12-V17 HydrophobicContact CD2-CB 4.43Å; Y12-V17 HydrophobicContact CD2-CG1 4.19Å; Y12-V17 PolarHBondContact N-O 3.34Å; V17-Y111 HydrophobicContact CG1-CD1 4.21Å; V17-F132 HydrophobicContact CB-CE2 4.4Å; V17-F132 HydrophobicContact CG1-CE2 3.89Å; V17-F132 HydrophobicContact CG1-CZ 4.27Å; V17-F132 HydrophobicContact CG2-CD2 4.41Å; V17-F132 HydrophobicContact CG2-CE2 3.81Å; V17-L136 HydrophobicContact CG1-CD2 3.89Å |
| 18 | K | 93.3 | Very high | 88.4 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.4 | 174 | -62.1 | 176.4 | -177.1 | 168.3 | 0 | 109.7 | E10 Y111 I112 | E10-K18 WeakPolarHBondContact O-CA 3.35Å; K18-Y111 CarbonylContact O-C 3.48Å; K18-Y111 VanDerWaalsContact O-CA 3.32Å; K18-Y111 WeakPolarHBondContact O-CA 3.48Å; K18-I112 HydrophobicContact CB-CB 4.32Å; K18-I112 PolarHBondContact N-O 2.78Å; K18-I112 PolarHBondContact O-N 2.96Å |
| 19 | K | 95.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.2 | 164.8 | -175.3 | 175.5 | 178.1 | 178.7 | 0 | 108 | L9 E10 Y12 V110 Y111 V171 | L9-K19 HydrophobicContact CB-CG 4.46Å; L9-K19 HydrophobicContact CD1-CG 4.35Å; L9-K19 PolarHBondContact N-O 2.62Å; E10-K19 HydrophobicContact CB-CB 4.15Å; E10-K19 PolarHBondContact N-O 3.2Å; E10-K19 PolarHBondContact O-N 3.02Å; Y12-K19 HydrophobicContact CE2-CB 3.94Å; K19-V110 CarbonylContact C-O 3.45Å; K19-V110 WeakPolarHBondContact CA-O 3.12Å; K19-Y111 HydrophobicContact CB-CD1 4.31Å; K19-Y111 HydrophobicContact CB-CE1 4.33Å; K19-Y111 HydrophobicContact CD-CE1 4.38Å; K19-Y111 HydrophobicContact CG-CE1 4.41Å; K19-V171 HydrophobicContact CG-CG2 4.43Å |
| 20 | G | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D7 S109 V110 | D7-G20 CarbonylContact O-C 3.55Å; D7-G20 WeakPolarHBondContact O-CA 3.42Å; G20-S109 CarbonylContact O-C 3.55Å; G20-S109 VanDerWaalsContact O-CA 3.27Å; G20-S109 WeakPolarHBondContact O-CA 3.41Å; G20-V110 PolarHBondContact N-O 3.27Å; G20-V110 PolarHBondContact O-N 3.08Å |
| 21 | S | 96.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 108.5 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | Y6 D7 R23 F108 | Y6-S21 CarbonylContact C-O 3.48Å; Y6-S21 WeakPolarHBondContact CA-O 3.49Å; Y6-S21 VanDerWaalsContact CB-O 3.3Å; Y6-S21 WeakPolarHBondContact CB-O 3.13Å; D7-S21 PolarHBondContact N-O 3.25Å; D7-S21 PolarHBondContact O-N 3.29Å; S21-R23 PolarHBondContact O-N 3Å; S21-F108 CarbonylContact C-O 3.55Å |
| 22 | V | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 132.5 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | W105 N107 F108 V110 W168 | V22-W105 HydrophobicContact CG1-CE3 4.02Å; V22-W105 HydrophobicContact CG1-CZ3 4.28Å; V22-N107 VanDerWaalsContact O-CA 3.26Å; V22-N107 WeakPolarHBondContact O-CA 3.42Å; V22-N107 WeakPolarHBondContact O-CB 3.48Å; V22-F108 HydrophobicContact CB-CD1 4.17Å; V22-F108 HydrophobicContact CB-CD2 4.29Å; V22-F108 HydrophobicContact CB-CE1 3.91Å; V22-F108 HydrophobicContact CB-CE2 4.06Å; V22-F108 HydrophobicContact CB-CG 4.34Å; V22-F108 HydrophobicContact CB-CZ 3.85Å; V22-F108 HydrophobicContact CG1-CD1 4.44Å; V22-F108 HydrophobicContact CG1-CE1 3.78Å; V22-F108 HydrophobicContact CG1-CE2 4.49Å; V22-F108 HydrophobicContact CG1-CZ 3.81Å; V22-F108 HydrophobicContact CG2-CD2 4.1Å; V22-F108 HydrophobicContact CG2-CE1 4.39Å; V22-F108 HydrophobicContact CG2-CE2 3.67Å; V22-F108 HydrophobicContact CG2-CZ 3.82Å; V22-F108 PolarHBondContact N-O 3.38Å; V22-F108 PolarHBondContact O-N 2.94Å; V22-V110 HydrophobicContact CG2-CG1 4Å; V22-V110 HydrophobicContact CG2-CG2 3.77Å; V22-W168 HydrophobicContact CB-CZ3 4.38Å; V22-W168 HydrophobicContact CG1-CZ3 4Å; V22-W168 HydrophobicContact CG2-CE3 3.73Å; V22-W168 HydrophobicContact CG2-CH2 4.11Å; V22-W168 HydrophobicContact CG2-CZ3 3.42Å; V22-W168 VanDerWaalsContact CG2-CZ3 3.42Å |
| 23 | R | 93.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 151.6 | -176.8 | -63.4 | 179.1 | -177.4 | 156.3 | -0.4 | 111.2 | T4 L5 D7 S21 S25 | T4-R23 PolarHBondContact O-NH1 3.34Å; L5-R23 PolarHBondContact O-N 3.44Å; D7-R23 IonicContact OD1-CZ 2.67Å; D7-R23 IonicContact OD1-NE 3.5Å; D7-R23 IonicContact OD1-NH2 3.75Å; D7-R23 PolarHBondContact OD1-NH2 3.06Å; D7-R23 IonicContact OD2-CZ 3.92Å; D7-R23 IonicContact OD2-NE 3.9Å; D7-R23 PolarHBondContact OD2-NE 3.41Å; D7-R23 IonicContact OD2-NH2 2.77Å; S21-R23 PolarHBondContact O-N 3Å; R23-S25 PolarHBondContact O-N 3.31Å; R23-S25 PolarHBondContact O-OG 3.14Å |
| 24 | T | 92.4 | Very high | 89.1 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -55 | 128.9 | 169.1 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | W105 | T24-W105 WeakPolarHBondContact CA-O 3.27Å; T24-W105 WeakPolarHBondContact CG2-O 3.27Å |
| 25 | S | 91.3 | Very high | 90 | Very high | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 153.7 | -171.3 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | R23 W27 W105 | R23-S25 PolarHBondContact O-N 3.31Å; R23-S25 PolarHBondContact O-OG 3.14Å; S25-W27 PolarHBondContact OG-NE1 3.42Å; S25-W105 PolarHBondContact N-O 3.21Å; S25-W105 VanDerWaalsContact N-O 3.1Å; S25-W105 PolarHBondContact O-N 3.25Å |
| 26 | E | 90.4 | Very high | 91 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.2 | 172.9 | -68.4 | -168.2 | 168.7 | 0 | 0 | 111 | I84 I89 Q102 | E26-I84 HydrophobicContact CB-CB 4.29Å; E26-I84 PolarHBondContact O-N 3.02Å; E26-I89 WeakPolarHBondContact OE2-CG1 3.24Å; E26-Q102 PolarHBondContact OE2-NE2 2.96Å |
| 27 | W | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.6 | -172.3 | -62 | 84.7 | 0 | 0 | 0 | 111 | L5 S25 V63 L81 R82 H83 I84 Q102 S103 W105 | L5-W27 HydrophobicContact CD1-CH2 3.69Å; L5-W27 HydrophobicContact CD1-CZ2 4.26Å; L5-W27 HydrophobicContact CD2-CH2 3.64Å; L5-W27 HydrophobicContact CD2-CZ2 3.87Å; L5-W27 HydrophobicContact CG-CH2 4.31Å; S25-W27 PolarHBondContact OG-NE1 3.42Å; W27-V63 HydrophobicContact CH2-CG2 3.61Å; W27-V63 HydrophobicContact CZ3-CB 4.14Å; W27-V63 HydrophobicContact CZ3-CG2 3.56Å; W27-L81 HydrophobicContact CB-CD2 3.83Å; W27-L81 HydrophobicContact CD2-CB 4.47Å; W27-L81 HydrophobicContact CE3-CB 3.85Å; W27-R82 CarbonylContact C-O 3.6Å; W27-R82 WeakPolarHBondContact CA-O 3.32Å; W27-H83 HydrophobicContact CE3-CB 4.12Å; W27-H83 HydrophobicContact CH2-CB 4.03Å; W27-H83 HydrophobicContact CZ3-CB 3.82Å; W27-I84 VanDerWaalsContact C-CD1 3.48Å; W27-Q102 CarbonylContact O-C 3.59Å; W27-Q102 VanDerWaalsContact O-CA 3.31Å; W27-Q102 WeakPolarHBondContact O-CA 3.36Å; W27-S103 PolarHBondContact N-O 3.15Å; W27-S103 PolarHBondContact O-N 2.96Å; W27-W105 AromaticContact CD1-CD1 3.97Å; W27-W105 AromaticContact CD1-CD2 3.71Å; W27-W105 AromaticContact CD1-CG 3.65Å; W27-W105 AromaticContact CE2-CE3 3.84Å; W27-W105 HydrophobicContact CG-CD2 4.48Å; W27-W105 HydrophobicContact CZ2-CE3 4.12Å; W27-W105 HydrophobicContact CZ2-CZ3 4.17Å; W27-W105 AromaticContact NE1-CD2 3.47Å; W27-W105 AromaticContact NE1-CE3 3.46Å; W27-W105 AromaticContact NE1-CG 3.7Å |
| 28 | M | 89.7 | Confident | 91.8 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.6 | 163.8 | -166.5 | 68 | 66.9 | 0 | 0 | 107.8 | F48 F52 L81 R82 I84 V93 I100 | M28-F48 HydrophobicContact CB-CE1 4.11Å; M28-F48 HydrophobicContact CG-CD1 4.34Å; M28-F48 HydrophobicContact CG-CE1 3.82Å; M28-F52 HydrophobicContact CB-CZ 4Å; M28-L81 CarbonylContact O-C 3.57Å; M28-L81 VanDerWaalsContact O-CA 3.32Å; M28-L81 WeakPolarHBondContact O-CA 3.49Å; M28-R82 PolarHBondContact N-O 3.41Å; M28-R82 PolarHBondContact O-N 3.44Å; M28-I84 HydrophobicContact CB-CD1 3.96Å; M28-I84 HydrophobicContact CB-CG1 4Å; M28-I84 HydrophobicContact CE-CD1 3.83Å; M28-V93 HydrophobicContact CE-CG2 3.81Å; M28-V93 HydrophobicContact SD-CG2 3.85Å; M28-I100 HydrophobicContact CG-CG2 4.18Å; M28-I100 HydrophobicContact SD-CG2 3.67Å |
| 29 | G | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 I100 F101 | G29-V80 CarbonylContact C-O 3.51Å; G29-V80 VanDerWaalsContact CA-O 3.28Å; G29-V80 WeakPolarHBondContact CA-O 3.37Å; G29-I100 WeakPolarHBondContact O-CA 3.45Å; G29-F101 PolarHBondContact N-O 2.93Å; G29-F101 PolarHBondContact O-N 2.92Å |
| 30 | Y | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.4 | 163.5 | 179.7 | -108.4 | 0 | 0 | 0 | 109 | M35 I40 Q43 A44 I47 T79 V80 H99 I100 | Y30-M35 HydrophobicContact CE1-SD 4.26Å; Y30-I40 HydrophobicContact CD1-CD1 4.41Å; Y30-I40 HydrophobicContact CD1-CG1 3.79Å; Y30-I40 HydrophobicContact CE1-CG1 3.74Å; Y30-Q43 HydrophobicContact CE1-CB 4.02Å; Y30-Q43 HydrophobicContact CE1-CG 3.95Å; Y30-Q43 VanDerWaalsContact OH-CG 3.26Å; Y30-Q43 WeakPolarHBondContact OH-CG 3.19Å; Y30-A44 HydrophobicContact CD1-CB 3.87Å; Y30-A44 HydrophobicContact CG-CB 4.39Å; Y30-I47 HydrophobicContact CD2-CD1 3.41Å; Y30-I47 VanDerWaalsContact CD2-CD1 3.41Å; Y30-I47 HydrophobicContact CE1-CD1 4.39Å; Y30-I47 HydrophobicContact CE2-CD1 3.12Å; Y30-I47 HydrophobicContact CG-CD1 4.17Å; Y30-T79 WeakPolarHBondContact O-CA 3.42Å; Y30-V80 PolarHBondContact N-O 2.87Å; Y30-V80 PolarHBondContact O-N 3.05Å; Y30-H99 WeakPolarHBondContact CA-O 3.38Å; Y30-H99 HydrophobicContact CD2-CB 3.86Å; Y30-H99 HydrophobicContact CE2-CB 3.42Å; Y30-H99 VanDerWaalsContact CE2-CB 3.42Å; Y30-I100 HydrophobicContact CD2-CG1 4.12Å |
| 31 | K | 92.7 | Very high | 91.7 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 39% | 0.391 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.6 | 176.5 | 69.5 | 178 | -176.2 | 169.7 | 0 | 112.3 | T79 H99 F101 | K31-T79 HydrophobicContact CB-CG2 4.37Å; K31-H99 PolarHBondContact N-O 2.77Å; K31-H99 VanDerWaalsContact O-CB 3.28Å; K31-H99 WeakPolarHBondContact O-CB 3.28Å; K31-H99 PolarHBondContact O-ND1 2.97Å; K31-F101 HydrophobicContact CB-CE1 4.04Å; K31-F101 HydrophobicContact CD-CD1 4.32Å; K31-F101 HydrophobicContact CD-CE1 3.74Å; K31-F101 HydrophobicContact CD-CZ 4.38Å; K31-F101 HydrophobicContact CG-CD1 4.23Å; K31-F101 HydrophobicContact CG-CE1 3.71Å |
| 32 | N | 89.9 | Confident | 91.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | trans | -148.7 | 117.6 | 169.6 | -169.3 | -18.3 | 0 | 0 | 0 | 109.1 | S34 M35 | N32-S34 PolarHBondContact O-N 3.23Å; N32-S34 PolarHBondContact OD1-N 3Å; N32-M35 HydrophobicContact CB-CB 4.47Å; N32-M35 HydrophobicContact CB-CG 4.03Å; N32-M35 HydrophobicContact CB-SD 3.65Å; N32-M35 WeakPolarHBondContact ND2-CE 3.47Å | ||
| 33 | E | 85.4 | Confident | 91.3 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.2 | -172.7 | -54.4 | -173.7 | 165.6 | 0 | 0 | 113.1 | L77 | E33-L77 HydrophobicContact CB-CD2 3.66Å; E33-L77 HydrophobicContact CG-CD2 3.78Å |
| 34 | S | 85.6 | Confident | 91.2 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 74% | 0.741 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 9.5 | -178.4 | -50.9 | 0 | 0 | 0 | 0 | 113.7 | N32 | N32-S34 PolarHBondContact O-N 3.23Å; N32-S34 PolarHBondContact OD1-N 3Å |
| 35 | M | 88.3 | Confident | 91 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | trans | -110.2 | 139.9 | -175.6 | -73.4 | 177.9 | 167.5 | 0 | 0 | 111.7 | Y30 N32 E39 I40 Q43 | Y30-M35 HydrophobicContact CE1-SD 4.26Å; N32-M35 HydrophobicContact CB-CB 4.47Å; N32-M35 HydrophobicContact CB-CG 4.03Å; N32-M35 HydrophobicContact CB-SD 3.65Å; N32-M35 WeakPolarHBondContact ND2-CE 3.47Å; M35-E39 HydrophobicContact CB-CB 4.1Å; M35-E39 HydrophobicContact CG-CB 4.25Å; M35-I40 HydrophobicContact CB-CB 4Å; M35-I40 HydrophobicContact SD-CB 4.39Å; M35-I40 HydrophobicContact SD-CG1 4.43Å; M35-Q43 HydrophobicContact CE-CB 4.39Å; M35-Q43 HydrophobicContact CE-CG 4.21Å; M35-Q43 HydrophobicContact SD-CB 4.41Å | ||
| 36 | T | 91.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | trans | -66 | 166.2 | 164.7 | 63.3 | 0 | 0 | 0 | 0 | 111 | D38 E39 I40 | T36-D38 VanDerWaalsContact C-N 3.33Å; T36-D38 PolarHBondContact O-N 3.38Å; T36-E39 WeakPolarHBondContact CB-OE2 3.39Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.39Å; T36-E39 PolarHBondContact N-OE2 3.33Å; T36-E39 PolarHBondContact O-N 3.33Å; T36-E39 VanDerWaalsContact OG1-CD 3.23Å; T36-E39 VanDerWaalsContact OG1-CG 3.25Å; T36-E39 WeakPolarHBondContact OG1-CG 3.48Å; T36-E39 PolarHBondContact OG1-N 2.84Å; T36-E39 PolarHBondContact OG1-OE2 3.31Å; T36-I40 WeakPolarHBondContact O-CG2 3.47Å; T36-I40 PolarHBondContact O-N 3.38Å | ||
| 37 | F | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 177.1 | 177.6 | -100.9 | 0 | 0 | 0 | 112.8 | I40 M41 V64 F78 I120 Q122 F125 W150 | F37-I40 WeakPolarHBondContact O-CG2 3.37Å; F37-M41 HydrophobicContact CD1-CG 4.38Å; F37-M41 HydrophobicContact CD2-CG 4.2Å; F37-M41 HydrophobicContact CE1-CG 4.04Å; F37-M41 HydrophobicContact CE2-CG 3.84Å; F37-M41 HydrophobicContact CE2-SD 4.16Å; F37-M41 HydrophobicContact CG-CG 4.47Å; F37-M41 HydrophobicContact CZ-CG 3.76Å; F37-M41 HydrophobicContact CZ-SD 4.26Å; F37-M41 WeakPolarHBondContact O-CB 3.33Å; F37-M41 WeakPolarHBondContact O-CG 3.22Å; F37-M41 PolarHBondContact O-N 2.94Å; F37-M41 VanDerWaalsContact O-N 3.11Å; F37-V64 HydrophobicContact CE2-CG1 4.29Å; F37-V64 HydrophobicContact CE2-CG2 4.32Å; F37-F78 HydrophobicContact CB-CD2 4.36Å; F37-F78 HydrophobicContact CB-CE1 4.34Å; F37-F78 HydrophobicContact CB-CE2 3.9Å; F37-F78 HydrophobicContact CB-CZ 3.88Å; F37-F78 AromaticContact CD2-CD1 3.89Å; F37-F78 HydrophobicContact CD2-CD1 3.89Å; F37-F78 AromaticContact CD2-CE1 3.81Å; F37-F78 HydrophobicContact CD2-CE1 3.81Å; F37-F78 HydrophobicContact CD2-CG 4.36Å; F37-F78 HydrophobicContact CD2-CZ 4.23Å; F37-F78 HydrophobicContact CG-CE1 4.5Å; F37-F78 HydrophobicContact CG-CZ 4.49Å; F37-I120 HydrophobicContact CE1-CG2 4.08Å; F37-I120 HydrophobicContact CZ-CG2 4.19Å; F37-Q122 HydrophobicContact CB-CB 3.94Å; F37-Q122 HydrophobicContact CB-CG 4.14Å; F37-Q122 HydrophobicContact CD1-CB 3.77Å; F37-Q122 HydrophobicContact CG-CB 3.95Å; F37-Q122 HydrophobicContact CG-CG 4.33Å; F37-F125 HydrophobicContact CZ-CD2 4.25Å; F37-F125 HydrophobicContact CZ-CE2 4.07Å; F37-W150 HydrophobicContact CD2-CE3 4.41Å; F37-W150 AromaticContact CD2-CZ3 3.94Å; F37-W150 HydrophobicContact CD2-CZ3 3.94Å; F37-W150 AromaticContact CE2-CE3 3.78Å; F37-W150 HydrophobicContact CE2-CE3 3.78Å; F37-W150 AromaticContact CE2-CZ3 3.73Å; F37-W150 HydrophobicContact CE2-CZ3 3.73Å; F37-W150 HydrophobicContact CZ-CE3 4.25Å; F37-W150 HydrophobicContact CZ-CZ3 4.24Å |
| 38 | D | 92.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | -179.8 | -77.6 | -16.4 | 0 | 0 | 0 | 111.1 | T36 M41 E42 K121 | T36-D38 VanDerWaalsContact C-N 3.33Å; T36-D38 PolarHBondContact O-N 3.38Å; D38-M41 PolarHBondContact O-N 3.19Å; D38-E42 PolarHBondContact O-N 3.49Å; D38-E42 VanDerWaalsContact O-N 3.08Å; D38-K121 VanDerWaalsContact CG-NZ 3.32Å; D38-K121 IonicContact OD1-NZ 2.85Å; D38-K121 PolarHBondContact OD1-NZ 3.09Å; D38-K121 IonicContact OD2-NZ 2.7Å; D38-K121 PolarHBondContact OD2-NZ 2.67Å |
| 39 | E | 93.8 | Very high | 90 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 179.8 | -70.3 | 166.5 | 143.2 | 0 | 0 | 112.3 | M35 T36 M41 E42 Q43 | M35-E39 HydrophobicContact CB-CB 4.1Å; M35-E39 HydrophobicContact CG-CB 4.25Å; T36-E39 WeakPolarHBondContact CB-OE2 3.39Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.39Å; T36-E39 PolarHBondContact N-OE2 3.33Å; T36-E39 PolarHBondContact O-N 3.33Å; T36-E39 VanDerWaalsContact OG1-CD 3.23Å; T36-E39 VanDerWaalsContact OG1-CG 3.25Å; T36-E39 WeakPolarHBondContact OG1-CG 3.48Å; T36-E39 PolarHBondContact OG1-N 2.84Å; T36-E39 PolarHBondContact OG1-OE2 3.31Å; E39-M41 VanDerWaalsContact C-N 3.32Å; E39-M41 PolarHBondContact O-N 3.19Å; E39-E42 PolarHBondContact O-N 3.22Å; E39-Q43 WeakPolarHBondContact O-CB 3.28Å; E39-Q43 PolarHBondContact O-N 3.28Å |
| 40 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | -178.8 | -160 | 177.7 | 0 | 0 | 0 | 111.2 | Y30 M35 T36 F37 A44 F78 V80 | Y30-I40 HydrophobicContact CD1-CD1 4.41Å; Y30-I40 HydrophobicContact CD1-CG1 3.79Å; Y30-I40 HydrophobicContact CE1-CG1 3.74Å; M35-I40 HydrophobicContact CB-CB 4Å; M35-I40 HydrophobicContact SD-CB 4.39Å; M35-I40 HydrophobicContact SD-CG1 4.43Å; T36-I40 WeakPolarHBondContact O-CG2 3.47Å; T36-I40 PolarHBondContact O-N 3.38Å; F37-I40 WeakPolarHBondContact O-CG2 3.37Å; I40-A44 WeakPolarHBondContact O-CB 3.43Å; I40-A44 PolarHBondContact O-N 2.92Å; I40-F78 HydrophobicContact CD1-CB 3.84Å; I40-F78 WeakPolarHBondContact CD1-O 3.42Å; I40-F78 HydrophobicContact CG2-CB 3.88Å; I40-F78 HydrophobicContact CG2-CG 4.39Å; I40-V80 HydrophobicContact CD1-CG2 4.27Å; I40-V80 HydrophobicContact CG1-CG2 4.09Å; I40-V80 HydrophobicContact CG2-CG2 4.25Å |
| 41 | M | 93.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 176.9 | -73.9 | -61.2 | -60.6 | 0 | 0 | 111.4 | F37 D38 E39 E45 T62 V64 V80 I120 I152 | F37-M41 HydrophobicContact CD1-CG 4.38Å; F37-M41 HydrophobicContact CD2-CG 4.2Å; F37-M41 HydrophobicContact CE1-CG 4.04Å; F37-M41 HydrophobicContact CE2-CG 3.84Å; F37-M41 HydrophobicContact CE2-SD 4.16Å; F37-M41 HydrophobicContact CG-CG 4.47Å; F37-M41 HydrophobicContact CZ-CG 3.76Å; F37-M41 HydrophobicContact CZ-SD 4.26Å; F37-M41 WeakPolarHBondContact O-CB 3.33Å; F37-M41 WeakPolarHBondContact O-CG 3.22Å; F37-M41 PolarHBondContact O-N 2.94Å; F37-M41 VanDerWaalsContact O-N 3.11Å; D38-M41 PolarHBondContact O-N 3.19Å; E39-M41 VanDerWaalsContact C-N 3.32Å; E39-M41 PolarHBondContact O-N 3.19Å; M41-E45 WeakPolarHBondContact O-CG 3.34Å; M41-E45 PolarHBondContact O-N 3.48Å; M41-E45 VanDerWaalsContact O-N 3.14Å; M41-T62 HydrophobicContact CE-CG2 4.2Å; M41-V64 HydrophobicContact SD-CG2 3.75Å; M41-V80 HydrophobicContact SD-CG1 4.24Å; M41-V80 HydrophobicContact SD-CG2 3.93Å; M41-I120 HydrophobicContact CE-CG2 4.35Å; M41-I152 HydrophobicContact CE-CD1 3.82Å |
| 42 | E | 92.1 | Very high | 87.8 | Confident | 147 Ų | 147 | 55.5 Ų | 55.5 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.9 | -48.9 | 175.9 | -177.3 | 175.6 | -169.4 | 0 | 0 | 111.4 | D38 E39 A44 E45 V46 | D38-E42 PolarHBondContact O-N 3.49Å; D38-E42 VanDerWaalsContact O-N 3.08Å; E39-E42 PolarHBondContact O-N 3.22Å; E42-A44 PolarHBondContact O-N 3.46Å; E42-E45 PolarHBondContact O-N 3.3Å; E42-V46 PolarHBondContact O-N 3.08Å |
| 43 | Q | 91.8 | Very high | 86.9 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | -176.8 | -168.8 | 61 | 49.3 | 0 | 0 | 112.3 | Y30 M35 E39 V46 I47 | Y30-Q43 HydrophobicContact CE1-CB 4.02Å; Y30-Q43 HydrophobicContact CE1-CG 3.95Å; Y30-Q43 VanDerWaalsContact OH-CG 3.26Å; Y30-Q43 WeakPolarHBondContact OH-CG 3.19Å; M35-Q43 HydrophobicContact CE-CB 4.39Å; M35-Q43 HydrophobicContact CE-CG 4.21Å; M35-Q43 HydrophobicContact SD-CB 4.41Å; E39-Q43 WeakPolarHBondContact O-CB 3.28Å; E39-Q43 PolarHBondContact O-N 3.28Å; Q43-V46 PolarHBondContact O-N 2.94Å; Q43-I47 HydrophobicContact CG-CD1 4.06Å; Q43-I47 WeakPolarHBondContact O-CG1 3.32Å; Q43-I47 PolarHBondContact O-N 3.28Å; Q43-I47 VanDerWaalsContact O-N 3.08Å |
| 44 | A | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y30 I40 E42 V46 I47 F48 V80 | Y30-A44 HydrophobicContact CD1-CB 3.87Å; Y30-A44 HydrophobicContact CG-CB 4.39Å; I40-A44 WeakPolarHBondContact O-CB 3.43Å; I40-A44 PolarHBondContact O-N 2.92Å; E42-A44 PolarHBondContact O-N 3.46Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 2.67Å; A44-I47 PolarHBondContact O-N 2.93Å; A44-F48 HydrophobicContact CB-CD2 4.15Å; A44-F48 HydrophobicContact CB-CE2 3.85Å; A44-F48 WeakPolarHBondContact O-CB 3.42Å; A44-F48 WeakPolarHBondContact O-CD2 3.38Å; A44-F48 VanDerWaalsContact O-CG 3.25Å; A44-F48 WeakPolarHBondContact O-CG 3.46Å; A44-F48 PolarHBondContact O-N 2.65Å; A44-V80 HydrophobicContact CB-CB 3.75Å; A44-V80 HydrophobicContact CB-CG1 3.84Å; A44-V80 HydrophobicContact CB-CG2 3.83Å |
| 45 | E | 88.3 | Confident | 84.7 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 178.3 | -76 | -62.5 | 139.8 | 0 | 0 | 112.6 | M41 E42 A49 R82 | M41-E45 WeakPolarHBondContact O-CG 3.34Å; M41-E45 PolarHBondContact O-N 3.48Å; M41-E45 VanDerWaalsContact O-N 3.14Å; E42-E45 PolarHBondContact O-N 3.3Å; E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 2.88Å; E45-R82 IonicContact OE1-CZ 2.69Å; E45-R82 IonicContact OE1-NE 3.34Å; E45-R82 IonicContact OE1-NH2 3.61Å; E45-R82 PolarHBondContact OE1-NH2 3.48Å; E45-R82 IonicContact OE2-NH2 3.7Å |
| 46 | V | 87.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -51.2 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | E42 Q43 A44 F48 A49 E50 | E42-V46 PolarHBondContact O-N 3.08Å; Q43-V46 PolarHBondContact O-N 2.94Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 2.67Å; V46-F48 PolarHBondContact O-N 3.27Å; V46-A49 PolarHBondContact O-N 3.23Å; V46-E50 WeakPolarHBondContact O-CG 3.42Å; V46-E50 PolarHBondContact O-N 2.88Å |
| 47 | I | 86.6 | Confident | 81.4 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | -177.2 | -73.1 | 170.2 | 0 | 0 | 0 | 111.6 | Y30 Q43 A44 E50 K51 I100 | Y30-I47 HydrophobicContact CD2-CD1 3.41Å; Y30-I47 VanDerWaalsContact CD2-CD1 3.41Å; Y30-I47 HydrophobicContact CE1-CD1 4.39Å; Y30-I47 HydrophobicContact CE2-CD1 3.12Å; Y30-I47 HydrophobicContact CG-CD1 4.17Å; Q43-I47 HydrophobicContact CG-CD1 4.06Å; Q43-I47 WeakPolarHBondContact O-CG1 3.32Å; Q43-I47 PolarHBondContact O-N 3.28Å; Q43-I47 VanDerWaalsContact O-N 3.08Å; A44-I47 PolarHBondContact O-N 2.93Å; I47-E50 PolarHBondContact O-N 2.92Å; I47-K51 WeakPolarHBondContact O-CB 3.4Å; I47-K51 PolarHBondContact O-N 3.05Å; I47-I100 HydrophobicContact CG2-CD1 3.38Å; I47-I100 HydrophobicContact CG2-CG1 3.92Å |
| 48 | F | 85.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 179.1 | -66.3 | -36.5 | 0 | 0 | 0 | 111.9 | M28 A44 V46 E50 K51 F52 V80 R82 | M28-F48 HydrophobicContact CB-CE1 4.11Å; M28-F48 HydrophobicContact CG-CD1 4.34Å; M28-F48 HydrophobicContact CG-CE1 3.82Å; A44-F48 HydrophobicContact CB-CD2 4.15Å; A44-F48 HydrophobicContact CB-CE2 3.85Å; A44-F48 WeakPolarHBondContact O-CB 3.42Å; A44-F48 WeakPolarHBondContact O-CD2 3.38Å; A44-F48 VanDerWaalsContact O-CG 3.25Å; A44-F48 WeakPolarHBondContact O-CG 3.46Å; A44-F48 PolarHBondContact O-N 2.65Å; V46-F48 PolarHBondContact O-N 3.27Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.66Å; F48-K51 PolarHBondContact O-N 2.78Å; F48-F52 HydrophobicContact CB-CD2 3.87Å; F48-F52 HydrophobicContact CB-CE2 3.95Å; F48-F52 AromaticContact CD1-CE2 3.79Å; F48-F52 HydrophobicContact CD1-CE2 3.79Å; F48-F52 HydrophobicContact CG-CD2 4.5Å; F48-F52 HydrophobicContact CG-CE2 4.07Å; F48-F52 WeakPolarHBondContact O-CB 3.46Å; F48-F52 WeakPolarHBondContact O-CD2 3.46Å; F48-F52 PolarHBondContact O-N 2.92Å; F48-V80 HydrophobicContact CE2-CB 4.28Å; F48-V80 HydrophobicContact CE2-CG1 3.86Å; F48-R82 HydrophobicContact CD1-CG 4.42Å; F48-R82 HydrophobicContact CD2-CB 4.32Å; F48-R82 HydrophobicContact CD2-CG 3.42Å; F48-R82 VanDerWaalsContact CD2-CG 3.42Å; F48-R82 HydrophobicContact CE1-CB 4.46Å; F48-R82 HydrophobicContact CE2-CB 4.23Å; F48-R82 HydrophobicContact CE2-CG 3.51Å; F48-R82 HydrophobicContact CG-CB 4.47Å; F48-R82 HydrophobicContact CG-CG 3.91Å; F48-R82 HydrophobicContact CZ-CB 4.3Å; F48-R82 HydrophobicContact CZ-CG 4.08Å |
| 49 | A | 81.9 | Confident | 78.9 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E45 V46 K51 G53 S54 K55 | E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 2.88Å; V46-A49 PolarHBondContact O-N 3.23Å; A49-K51 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 2.99Å; A49-G53 CarbonylContact O-C 3.42Å; A49-G53 VanDerWaalsContact O-CA 3.32Å; A49-G53 WeakPolarHBondContact O-CA 3.44Å; A49-G53 PolarHBondContact O-N 3.2Å; A49-S54 PolarHBondContact O-N 3.3Å; A49-K55 HydrophobicContact CB-CG 3.65Å |
| 50 | E | 81.4 | Confident | 78.2 | Confident | 154 Ų | 154 | 58.3 Ų | 58.3 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 175.7 | -70.8 | 179.2 | 174.4 | 0 | 0 | 111.9 | V46 I47 F48 | V46-E50 WeakPolarHBondContact O-CG 3.42Å; V46-E50 PolarHBondContact O-N 2.88Å; I47-E50 PolarHBondContact O-N 2.92Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.66Å |
| 51 | K | 75.9 | Confident | 77.9 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 21% | 0.213 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.6 | -43.3 | -176.2 | -165.5 | 67.5 | 179.2 | 174.7 | 0 | 113.2 | I47 F48 A49 K92 C94 | I47-K51 WeakPolarHBondContact O-CB 3.4Å; I47-K51 PolarHBondContact O-N 3.05Å; F48-K51 PolarHBondContact O-N 2.78Å; A49-K51 VanDerWaalsContact C-N 3.34Å; A49-K51 PolarHBondContact O-N 2.99Å; K51-K92 PolarHBondContact NZ-O 3.18Å; K51-C94 PolarHBondContact NZ-O 3.08Å |
| 52 | F | 76.5 | Confident | 77.8 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -89 | -16.9 | -176.5 | -61.2 | -62.7 | 0 | 0 | 0 | 112.9 | M28 F48 C57 R82 Q88 | M28-F52 HydrophobicContact CB-CZ 4Å; F48-F52 HydrophobicContact CB-CD2 3.87Å; F48-F52 HydrophobicContact CB-CE2 3.95Å; F48-F52 AromaticContact CD1-CE2 3.79Å; F48-F52 HydrophobicContact CD1-CE2 3.79Å; F48-F52 HydrophobicContact CG-CD2 4.5Å; F48-F52 HydrophobicContact CG-CE2 4.07Å; F48-F52 WeakPolarHBondContact O-CB 3.46Å; F48-F52 WeakPolarHBondContact O-CD2 3.46Å; F48-F52 PolarHBondContact O-N 2.92Å; F52-C57 HydrophobicContact CB-CB 4.4Å; F52-R82 HydrophobicContact CE2-CB 4Å; F52-R82 HydrophobicContact CZ-CB 4.36Å; F52-Q88 VanDerWaalsContact CE1-OE1 3.24Å |
| 53 | G | 70.3 | Confident | 77.9 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 67% | 0.67 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 96.6 | -11.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A49 | A49-G53 CarbonylContact O-C 3.42Å; A49-G53 VanDerWaalsContact O-CA 3.32Å; A49-G53 WeakPolarHBondContact O-CA 3.44Å; A49-G53 PolarHBondContact O-N 3.2Å |
| 54 | S | 64.7 | Low | 78.1 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -165.6 | 156.3 | 167.2 | 147.8 | 0 | 0 | 0 | 0 | 109.8 | A49 D56 C57 | A49-S54 PolarHBondContact O-N 3.3Å; S54-D56 PolarHBondContact O-N 3.08Å; S54-D56 PolarHBondContact OG-N 2.7Å; S54-C57 VanDerWaalsContact CB-SG 3.5Å; S54-C57 PolarHBondContact O-N 2.79Å |
| 55 | K | 59.6 | Low | 78.4 | Confident | 122 Ų | 122 | 48.2 Ų | 48.2 | 53% | 0.53 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.1 | -34 | 172.4 | -67.9 | -172.9 | 176.3 | -166.9 | 0 | 112.3 | A49 C57 | A49-K55 HydrophobicContact CB-CG 3.65Å; K55-C57 VanDerWaalsContact C-N 3.34Å; K55-C57 PolarHBondContact O-N 3.29Å |
| 56 | D | 57 | Low | 78.7 | Confident | 124 Ų | 124 | 46.3 Ų | 46.3 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -87.4 | -2.7 | -175.6 | -61.2 | -29.1 | 0 | 0 | 0 | 113.5 | S54 N58 | S54-D56 PolarHBondContact O-N 3.08Å; S54-D56 PolarHBondContact OG-N 2.7Å; D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 2.85Å |
| 57 | C | 53.8 | Low | 78.9 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 45% | 0.446 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -72.1 | -22.7 | -176.2 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | F52 S54 K55 | F52-C57 HydrophobicContact CB-CB 4.4Å; S54-C57 VanDerWaalsContact CB-SG 3.5Å; S54-C57 PolarHBondContact O-N 2.79Å; K55-C57 VanDerWaalsContact C-N 3.34Å; K55-C57 PolarHBondContact O-N 3.29Å |
| 58 | N | 60.4 | Low | 78.9 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | trans | -100.4 | 98.7 | -177.9 | -154.6 | -20 | 0 | 0 | 0 | 111.2 | D56 Y60 H83 | D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 2.85Å; N58-Y60 PolarHBondContact O-N 2.98Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; N58-Y60 VanDerWaalsContact OD1-CD2 3.31Å; N58-Y60 WeakPolarHBondContact OD1-CD2 3.42Å; N58-Y60 PolarHBondContact OD1-N 2.57Å; N58-H83 PolarHBondContact ND2-O 3.05Å | ||
| 59 | K | 71.8 | Confident | 78.4 | Confident | 144 Ų | 144 | 53 Ų | 53 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | trans | -73.4 | 3.4 | 176.2 | -66.1 | -176.6 | -179.9 | 177.3 | 0 | 113.9 | L157 | K59-L157 HydrophobicContact CB-CD1 4.04Å; K59-L157 HydrophobicContact CG-CD1 4.36Å; K59-L157 WeakPolarHBondContact O-CD1 3.15Å | ||
| 60 | Y | 78.6 | Confident | 77.3 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -93.9 | 146.8 | 174.8 | -67 | -94.6 | 0 | 0 | 0 | 110.3 | L5 N58 R82 H83 T85 | L5-Y60 HydrophobicContact CD2-CD1 3.94Å; N58-Y60 PolarHBondContact O-N 2.98Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; N58-Y60 VanDerWaalsContact OD1-CD2 3.31Å; N58-Y60 WeakPolarHBondContact OD1-CD2 3.42Å; N58-Y60 PolarHBondContact OD1-N 2.57Å; Y60-R82 PolarHBondContact O-NH1 3.06Å; Y60-H83 HydrophobicContact CD1-CB 3.96Å; Y60-H83 AromaticContact CD1-CG 3.8Å; Y60-H83 AromaticContact CD1-ND1 4Å; Y60-H83 HydrophobicContact CD2-CB 4.09Å; Y60-H83 AromaticContact CD2-ND1 3.81Å; Y60-H83 AromaticContact CE1-ND1 3.87Å; Y60-H83 AromaticContact CE2-ND1 3.71Å; Y60-H83 HydrophobicContact CG-CB 3.62Å; Y60-H83 AromaticContact CG-CG 3.85Å; Y60-H83 AromaticContact CG-ND1 3.97Å; Y60-H83 AromaticContact CZ-CE1 3.94Å; Y60-H83 AromaticContact CZ-ND1 3.74Å; Y60-T85 HydrophobicContact CD2-CG2 4.23Å; Y60-T85 HydrophobicContact CE2-CG2 3.49Å; Y60-T85 VanDerWaalsContact CE2-CG2 3.49Å |
| 61 | P | 87.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.8 | 178.9 | 29.9 | -37.2 | 0 | 0 | 0 | 111.3 | L5 I151 I152 Y153 | L5-P61 HydrophobicContact CD1-CG 3.61Å; L5-P61 HydrophobicContact CG-CG 4.15Å; P61-I151 HydrophobicContact CB-CG2 3.62Å; P61-I151 HydrophobicContact CG-CG2 3.75Å; P61-I152 CarbonylContact C-O 3.59Å; P61-I152 VanDerWaalsContact CA-O 3.27Å; P61-I152 WeakPolarHBondContact CA-O 3.25Å; P61-I152 WeakPolarHBondContact CB-O 3.47Å; P61-Y153 HydrophobicContact CB-CD1 3.67Å; P61-Y153 HydrophobicContact CB-CE1 3.83Å; P61-Y153 HydrophobicContact CB-CG 4.06Å; P61-Y153 HydrophobicContact CG-CD1 4.04Å; P61-Y153 HydrophobicContact CG-CE1 3.72Å |
| 62 | T | 91.3 | Very high | 74.5 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.8 | 166.5 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | M41 V80 R82 I151 I152 | M41-T62 HydrophobicContact CE-CG2 4.2Å; T62-V80 HydrophobicContact CG2-CG1 3.44Å; T62-V80 VanDerWaalsContact CG2-CG1 3.44Å; T62-R82 PolarHBondContact OG1-NE 2.84Å; T62-R82 VanDerWaalsContact OG1-NE 3.08Å; T62-R82 PolarHBondContact OG1-NH1 2.82Å; T62-R82 PolarHBondContact OG1-NH2 2.76Å; T62-I151 CarbonylContact O-C 3.53Å; T62-I151 WeakPolarHBondContact O-CA 3.35Å; T62-I152 PolarHBondContact N-O 2.9Å; T62-I152 PolarHBondContact O-N 3.27Å |
| 63 | V | 94.9 | Very high | 73.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.4 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | L5 W27 V80 L81 W105 Y149 W150 I151 | L5-V63 HydrophobicContact CD1-CG2 4.04Å; W27-V63 HydrophobicContact CH2-CG2 3.61Å; W27-V63 HydrophobicContact CZ3-CB 4.14Å; W27-V63 HydrophobicContact CZ3-CG2 3.56Å; V63-V80 CarbonylContact O-C 3.59Å; V63-V80 WeakPolarHBondContact O-CA 3.17Å; V63-L81 HydrophobicContact CB-CB 4.04Å; V63-L81 HydrophobicContact CG1-CD1 4.27Å; V63-L81 PolarHBondContact N-O 3.45Å; V63-L81 PolarHBondContact O-N 2.99Å; V63-W105 HydrophobicContact CG1-CH2 3.83Å; V63-Y149 HydrophobicContact CG1-CD1 3.98Å; V63-W150 CarbonylContact C-O 3.52Å; V63-W150 WeakPolarHBondContact CA-O 3.24Å; V63-I151 HydrophobicContact CG2-CG1 4.3Å |
| 64 | V | 95.9 | Very high | 73.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.2 | 171.4 | -172.4 | 0 | 0 | 0 | 0 | 106.6 | F37 M41 I66 F78 T79 Y149 W150 I152 | F37-V64 HydrophobicContact CE2-CG1 4.29Å; F37-V64 HydrophobicContact CE2-CG2 4.32Å; M41-V64 HydrophobicContact SD-CG2 3.75Å; V64-I66 HydrophobicContact CB-CD1 4.34Å; V64-I66 HydrophobicContact CG1-CD1 4.21Å; V64-I66 HydrophobicContact CG1-CG1 4.21Å; V64-I66 WeakPolarHBondContact O-CD1 3.32Å; V64-F78 HydrophobicContact CG1-CB 4.34Å; V64-F78 HydrophobicContact CG1-CD1 3.97Å; V64-T79 CarbonylContact C-O 3.56Å; V64-T79 WeakPolarHBondContact CA-O 3.35Å; V64-Y149 CarbonylContact O-C 3.6Å; V64-Y149 VanDerWaalsContact O-CA 3.24Å; V64-Y149 WeakPolarHBondContact O-CA 3.41Å; V64-W150 HydrophobicContact CB-CB 4.32Å; V64-W150 PolarHBondContact N-O 2.67Å; V64-W150 PolarHBondContact O-N 2.88Å; V64-I152 HydrophobicContact CG2-CD1 4.33Å |
| 65 | E | 96.7 | Very high | 73.5 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.8 | 167.3 | -178.8 | 178.7 | 111.6 | 0 | 0 | 108.5 | R67 T79 L81 P147 Y149 | E65-R67 IonicContact OE1-CZ 2.67Å; E65-R67 IonicContact OE1-NE 3.12Å; E65-R67 PolarHBondContact OE1-NE 3.4Å; E65-R67 IonicContact OE1-NH2 2.66Å; E65-R67 PolarHBondContact OE1-NH2 3.31Å; E65-T79 PolarHBondContact N-O 3.34Å; E65-T79 PolarHBondContact O-N 2.9Å; E65-L81 HydrophobicContact CB-CD1 4.19Å; E65-P147 HydrophobicContact CG-CB 3.7Å; E65-P147 HydrophobicContact CG-CG 4.43Å; E65-Y149 HydrophobicContact CB-CD1 3.8Å; E65-Y149 HydrophobicContact CB-CE1 3.64Å; E65-Y149 HydrophobicContact CG-CD1 4.06Å; E65-Y149 HydrophobicContact CG-CE1 3.52Å; E65-Y149 VanDerWaalsContact OE2-CE1 3.28Å; E65-Y149 WeakPolarHBondContact OE2-CE1 3.31Å; E65-Y149 PolarHBondContact OE2-OH 3.49Å; E65-Y149 VanDerWaalsContact OE2-OH 3.06Å |
| 66 | I | 95 | Very high | 74.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.6 | 179.8 | -53.7 | 92.7 | 0 | 0 | 0 | 109 | V64 F78 P147 Y148 W150 | V64-I66 HydrophobicContact CB-CD1 4.34Å; V64-I66 HydrophobicContact CG1-CD1 4.21Å; V64-I66 HydrophobicContact CG1-CG1 4.21Å; V64-I66 WeakPolarHBondContact O-CD1 3.32Å; I66-F78 HydrophobicContact CG1-CD1 3.93Å; I66-F78 HydrophobicContact CG1-CE1 4Å; I66-F78 HydrophobicContact CG2-CD1 4.44Å; I66-F78 HydrophobicContact CG2-CE1 4.15Å; I66-P147 WeakPolarHBondContact O-CA 3.44Å; I66-Y148 HydrophobicContact CB-CD1 4.37Å; I66-Y148 HydrophobicContact CB-CD2 4.13Å; I66-Y148 HydrophobicContact CB-CE1 4.01Å; I66-Y148 HydrophobicContact CB-CE2 3.71Å; I66-Y148 HydrophobicContact CB-CG 4.44Å; I66-Y148 HydrophobicContact CD1-CD2 3.86Å; I66-Y148 HydrophobicContact CD1-CE2 3.7Å; I66-Y148 HydrophobicContact CG1-CD2 4.43Å; I66-Y148 HydrophobicContact CG1-CE2 3.92Å; I66-Y148 HydrophobicContact CG2-CE1 3.87Å; I66-Y148 HydrophobicContact CG2-CE2 4.06Å; I66-Y148 WeakPolarHBondContact CG2-OH 3.17Å; I66-Y148 PolarHBondContact N-O 2.93Å; I66-Y148 PolarHBondContact O-N 3.05Å; I66-W150 HydrophobicContact CD1-CB 4.04Å; I66-W150 HydrophobicContact CD1-CD2 3.48Å; I66-W150 VanDerWaalsContact CD1-CD2 3.48Å; I66-W150 HydrophobicContact CD1-CE3 3.9Å; I66-W150 HydrophobicContact CD1-CG 3.56Å; I66-W150 HydrophobicContact CG1-CD2 4.14Å; I66-W150 HydrophobicContact CG1-CE3 4.18Å; I66-W150 HydrophobicContact CG1-CZ3 4.41Å |
| 67 | R | 92.4 | Very high | 76.2 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 50% | 0.498 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 101.3 | 167.7 | -66.4 | -179.8 | -165.6 | 174.9 | 0.2 | 108.4 | E65 S69 L77 P147 | E65-R67 IonicContact OE1-CZ 2.67Å; E65-R67 IonicContact OE1-NE 3.12Å; E65-R67 PolarHBondContact OE1-NE 3.4Å; E65-R67 IonicContact OE1-NH2 2.66Å; E65-R67 PolarHBondContact OE1-NH2 3.31Å; R67-S69 PolarHBondContact O-N 2.81Å; R67-L77 HydrophobicContact CB-CB 4.31Å; R67-L77 PolarHBondContact N-O 2.87Å; R67-L77 PolarHBondContact O-N 2.89Å; R67-P147 HydrophobicContact CG-CB 3.93Å |
| 68 | P | 85.9 | Confident | 78.1 | Confident | 48 Ų | 48 | 53 Ų | 53 | 31% | 0.312 | 32% | 0.318 | S | S | . | . | trans | -56.6 | 127.1 | 174.2 | -22.3 | 34.1 | 0 | 0 | 0 | 109.6 | Y148 | P68-Y148 HydrophobicContact CG-CD1 4.39Å; P68-Y148 HydrophobicContact CG-CE1 3.62Å | ||
| 69 | S | 74.6 | Confident | 79.8 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | trans | -83 | 129.9 | 172.8 | 76.4 | 0 | 0 | 0 | 0 | 109.8 | R67 G71 E75 | R67-S69 PolarHBondContact O-N 2.81Å; S69-G71 PolarHBondContact O-N 3.39Å; S69-E75 WeakPolarHBondContact CB-O 3.41Å; S69-E75 PolarHBondContact OG-N 2.86Å; S69-E75 PolarHBondContact OG-O 2.82Å | ||
| 70 | G | 58.7 | Low | 80.9 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 93% | 0.928 | 29% | 0.291 | S | S | * | . | trans | -76.1 | 6.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 71 | G | 51.5 | Low | 81.6 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -76.5 | 167.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S69 A73 C74 | S69-G71 PolarHBondContact O-N 3.39Å; G71-A73 PolarHBondContact O-N 3.11Å; G71-A73 VanDerWaalsContact O-N 3.11Å; G71-C74 WeakPolarHBondContact O-CA 3.37Å; G71-C74 PolarHBondContact O-N 3.46Å; G71-C74 PolarHBondContact O-SG 2.94Å; G71-C74 VanDerWaalsContact O-SG 3.34Å |
| 72 | P | 46.8 | Very low | 81.7 | Confident | 150 Ų | 150 | 45.3 Ų | 45.3 | 97% | 0.974 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.7 | -173 | 23.8 | -33 | 0 | 0 | 0 | 114.9 | ||
| 73 | A | 58.6 | Low | 81.6 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -14.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | G71 E75 | G71-A73 PolarHBondContact O-N 3.11Å; G71-A73 VanDerWaalsContact O-N 3.11Å; A73-E75 HydrophobicContact CB-CG 4.1Å; A73-E75 PolarHBondContact O-N 2.97Å |
| 74 | C | 60.5 | Low | 81.1 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 64% | 0.635 | 29% | 0.291 | S | S | * | . | trans | 49.4 | 24.8 | -176 | -65.2 | 0 | 0 | 0 | 0 | 114.9 | G71 S76 | G71-C74 WeakPolarHBondContact O-CA 3.37Å; G71-C74 PolarHBondContact O-N 3.46Å; G71-C74 PolarHBondContact O-SG 2.94Å; G71-C74 VanDerWaalsContact O-SG 3.34Å; C74-S76 PolarHBondContact O-N 2.85Å | ||
| 75 | E | 71.6 | Confident | 80.3 | Confident | 135 Ų | 135 | 47.8 Ų | 47.8 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 116.8 | 179.9 | -68.9 | 177.9 | 170.1 | 0 | 0 | 109.2 | S69 A73 | S69-E75 WeakPolarHBondContact CB-O 3.41Å; S69-E75 PolarHBondContact OG-N 2.86Å; S69-E75 PolarHBondContact OG-O 2.82Å; A73-E75 HydrophobicContact CB-CG 4.1Å; A73-E75 PolarHBondContact O-N 2.97Å |
| 76 | S | 83.1 | Confident | 79.1 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 16% | 0.161 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 140.2 | 175 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | C74 F78 | C74-S76 PolarHBondContact O-N 2.85Å; S76-F78 WeakPolarHBondContact O-CD2 3.25Å; S76-F78 WeakPolarHBondContact O-CE2 3.4Å |
| 77 | L | 90.5 | Very high | 78 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.4 | 169.9 | -62.9 | 177.1 | 0 | 0 | 0 | 109.3 | E33 R67 | E33-L77 HydrophobicContact CB-CD2 3.66Å; E33-L77 HydrophobicContact CG-CD2 3.78Å; R67-L77 HydrophobicContact CB-CB 4.31Å; R67-L77 PolarHBondContact N-O 2.87Å; R67-L77 PolarHBondContact O-N 2.89Å |
| 78 | F | 93.5 | Very high | 77 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.4 | 177.5 | -59.2 | -74.4 | 0 | 0 | 0 | 110.6 | F37 I40 V64 I66 S76 W150 | F37-F78 HydrophobicContact CB-CD2 4.36Å; F37-F78 HydrophobicContact CB-CE1 4.34Å; F37-F78 HydrophobicContact CB-CE2 3.9Å; F37-F78 HydrophobicContact CB-CZ 3.88Å; F37-F78 AromaticContact CD2-CD1 3.89Å; F37-F78 HydrophobicContact CD2-CD1 3.89Å; F37-F78 AromaticContact CD2-CE1 3.81Å; F37-F78 HydrophobicContact CD2-CE1 3.81Å; F37-F78 HydrophobicContact CD2-CG 4.36Å; F37-F78 HydrophobicContact CD2-CZ 4.23Å; F37-F78 HydrophobicContact CG-CE1 4.5Å; F37-F78 HydrophobicContact CG-CZ 4.49Å; I40-F78 HydrophobicContact CD1-CB 3.84Å; I40-F78 WeakPolarHBondContact CD1-O 3.42Å; I40-F78 HydrophobicContact CG2-CB 3.88Å; I40-F78 HydrophobicContact CG2-CG 4.39Å; V64-F78 HydrophobicContact CG1-CB 4.34Å; V64-F78 HydrophobicContact CG1-CD1 3.97Å; I66-F78 HydrophobicContact CG1-CD1 3.93Å; I66-F78 HydrophobicContact CG1-CE1 4Å; I66-F78 HydrophobicContact CG2-CD1 4.44Å; I66-F78 HydrophobicContact CG2-CE1 4.15Å; S76-F78 WeakPolarHBondContact O-CD2 3.25Å; S76-F78 WeakPolarHBondContact O-CE2 3.4Å; F78-W150 HydrophobicContact CE1-CH2 4.42Å; F78-W150 HydrophobicContact CE1-CZ3 4.08Å |
| 79 | T | 95.2 | Very high | 76 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 117.9 | 169.2 | -66.8 | 0 | 0 | 0 | 0 | 108.4 | Y30 K31 V64 E65 L81 F101 | Y30-T79 WeakPolarHBondContact O-CA 3.42Å; K31-T79 HydrophobicContact CB-CG2 4.37Å; V64-T79 CarbonylContact C-O 3.56Å; V64-T79 WeakPolarHBondContact CA-O 3.35Å; E65-T79 PolarHBondContact N-O 3.34Å; E65-T79 PolarHBondContact O-N 2.9Å; T79-L81 HydrophobicContact CG2-CD1 4.43Å; T79-L81 HydrophobicContact CG2-CD2 4.3Å; T79-L81 HydrophobicContact CG2-CG 4.09Å; T79-F101 HydrophobicContact CG2-CE1 4.03Å; T79-F101 HydrophobicContact CG2-CZ 3.54Å |
| 80 | V | 95.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.6 | 178.7 | -166.4 | 0 | 0 | 0 | 0 | 109.2 | G29 Y30 I40 M41 A44 F48 T62 V63 | G29-V80 CarbonylContact C-O 3.51Å; G29-V80 VanDerWaalsContact CA-O 3.28Å; G29-V80 WeakPolarHBondContact CA-O 3.37Å; Y30-V80 PolarHBondContact N-O 2.87Å; Y30-V80 PolarHBondContact O-N 3.05Å; I40-V80 HydrophobicContact CD1-CG2 4.27Å; I40-V80 HydrophobicContact CG1-CG2 4.09Å; I40-V80 HydrophobicContact CG2-CG2 4.25Å; M41-V80 HydrophobicContact SD-CG1 4.24Å; M41-V80 HydrophobicContact SD-CG2 3.93Å; A44-V80 HydrophobicContact CB-CB 3.75Å; A44-V80 HydrophobicContact CB-CG1 3.84Å; A44-V80 HydrophobicContact CB-CG2 3.83Å; F48-V80 HydrophobicContact CE2-CB 4.28Å; F48-V80 HydrophobicContact CE2-CG1 3.86Å; T62-V80 HydrophobicContact CG2-CG1 3.44Å; T62-V80 VanDerWaalsContact CG2-CG1 3.44Å; V63-V80 CarbonylContact O-C 3.59Å; V63-V80 WeakPolarHBondContact O-CA 3.17Å |
| 81 | L | 94.1 | Very high | 75.1 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135 | -172.3 | -68.7 | 156 | 0 | 0 | 0 | 109.9 | W27 M28 V63 E65 T79 W105 | W27-L81 HydrophobicContact CB-CD2 3.83Å; W27-L81 HydrophobicContact CD2-CB 4.47Å; W27-L81 HydrophobicContact CE3-CB 3.85Å; M28-L81 CarbonylContact O-C 3.57Å; M28-L81 VanDerWaalsContact O-CA 3.32Å; M28-L81 WeakPolarHBondContact O-CA 3.49Å; V63-L81 HydrophobicContact CB-CB 4.04Å; V63-L81 HydrophobicContact CG1-CD1 4.27Å; V63-L81 PolarHBondContact N-O 3.45Å; V63-L81 PolarHBondContact O-N 2.99Å; E65-L81 HydrophobicContact CB-CD1 4.19Å; T79-L81 HydrophobicContact CG2-CD1 4.43Å; T79-L81 HydrophobicContact CG2-CD2 4.3Å; T79-L81 HydrophobicContact CG2-CG 4.09Å; L81-W105 HydrophobicContact CD1-CH2 4.2Å; L81-W105 HydrophobicContact CD1-CZ2 3.49Å; L81-W105 VanDerWaalsContact CD1-CZ2 3.49Å |
| 82 | R | 90.4 | Very high | 75.2 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.9 | 173 | -77 | -67.5 | -167.2 | 157.5 | 6.6 | 109.9 | W27 M28 E45 F48 F52 Y60 T62 I84 | W27-R82 CarbonylContact C-O 3.6Å; W27-R82 WeakPolarHBondContact CA-O 3.32Å; M28-R82 PolarHBondContact N-O 3.41Å; M28-R82 PolarHBondContact O-N 3.44Å; E45-R82 IonicContact OE1-CZ 2.69Å; E45-R82 IonicContact OE1-NE 3.34Å; E45-R82 IonicContact OE1-NH2 3.61Å; E45-R82 PolarHBondContact OE1-NH2 3.48Å; E45-R82 IonicContact OE2-NH2 3.7Å; F48-R82 HydrophobicContact CD1-CG 4.42Å; F48-R82 HydrophobicContact CD2-CB 4.32Å; F48-R82 HydrophobicContact CD2-CG 3.42Å; F48-R82 VanDerWaalsContact CD2-CG 3.42Å; F48-R82 HydrophobicContact CE1-CB 4.46Å; F48-R82 HydrophobicContact CE2-CB 4.23Å; F48-R82 HydrophobicContact CE2-CG 3.51Å; F48-R82 HydrophobicContact CG-CB 4.47Å; F48-R82 HydrophobicContact CG-CG 3.91Å; F48-R82 HydrophobicContact CZ-CB 4.3Å; F48-R82 HydrophobicContact CZ-CG 4.08Å; F52-R82 HydrophobicContact CE2-CB 4Å; F52-R82 HydrophobicContact CZ-CB 4.36Å; Y60-R82 PolarHBondContact O-NH1 3.06Å; T62-R82 PolarHBondContact OG1-NE 2.84Å; T62-R82 VanDerWaalsContact OG1-NE 3.08Å; T62-R82 PolarHBondContact OG1-NH1 2.82Å; T62-R82 PolarHBondContact OG1-NH2 2.76Å; R82-I84 PolarHBondContact O-N 3.35Å |
| 83 | H | 87.8 | Confident | 75.6 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.125 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 136.2 | -179.2 | -174.8 | -84.8 | 0 | 0 | 0 | 110.3 | W27 N58 Y60 | W27-H83 HydrophobicContact CE3-CB 4.12Å; W27-H83 HydrophobicContact CH2-CB 4.03Å; W27-H83 HydrophobicContact CZ3-CB 3.82Å; N58-H83 PolarHBondContact ND2-O 3.05Å; Y60-H83 HydrophobicContact CD1-CB 3.96Å; Y60-H83 AromaticContact CD1-CG 3.8Å; Y60-H83 AromaticContact CD1-ND1 4Å; Y60-H83 HydrophobicContact CD2-CB 4.09Å; Y60-H83 AromaticContact CD2-ND1 3.81Å; Y60-H83 AromaticContact CE1-ND1 3.87Å; Y60-H83 AromaticContact CE2-ND1 3.71Å; Y60-H83 HydrophobicContact CG-CB 3.62Å; Y60-H83 AromaticContact CG-CG 3.85Å; Y60-H83 AromaticContact CG-ND1 3.97Å; Y60-H83 AromaticContact CZ-CE1 3.94Å; Y60-H83 AromaticContact CZ-ND1 3.74Å |
| 84 | I | 84.4 | Confident | 74.8 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 124.3 | 174.3 | -58.8 | 174.2 | 0 | 0 | 0 | 107.7 | E26 W27 M28 R82 Q88 I89 Q102 | E26-I84 HydrophobicContact CB-CB 4.29Å; E26-I84 PolarHBondContact O-N 3.02Å; W27-I84 VanDerWaalsContact C-CD1 3.48Å; M28-I84 HydrophobicContact CB-CD1 3.96Å; M28-I84 HydrophobicContact CB-CG1 4Å; M28-I84 HydrophobicContact CE-CD1 3.83Å; R82-I84 PolarHBondContact O-N 3.35Å; I84-Q88 HydrophobicContact CG2-CB 3.84Å; I84-I89 HydrophobicContact CG2-CG1 3.91Å; I84-Q102 HydrophobicContact CD1-CG 3.88Å |
| 85 | T | 79.1 | Confident | 74.4 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 16% | 0.16 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 159.5 | 174 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | Y60 D87 Q88 I89 | Y60-T85 HydrophobicContact CD2-CG2 4.23Å; Y60-T85 HydrophobicContact CE2-CG2 3.49Å; Y60-T85 VanDerWaalsContact CE2-CG2 3.49Å; T85-D87 WeakPolarHBondContact CB-OD1 3.15Å; T85-D87 PolarHBondContact O-N 2.76Å; T85-D87 VanDerWaalsContact O-N 3.11Å; T85-D87 PolarHBondContact OG1-OD1 2.85Å; T85-Q88 CarbonylContact O-C 3.53Å; T85-Q88 VanDerWaalsContact O-CA 3.31Å; T85-Q88 WeakPolarHBondContact O-CA 3.16Å; T85-Q88 WeakPolarHBondContact O-CB 3.48Å; T85-Q88 PolarHBondContact O-N 2.87Å; T85-Q88 VanDerWaalsContact OG1-CD 3.28Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.41Å; T85-I89 WeakPolarHBondContact O-CG1 3.27Å; T85-I89 PolarHBondContact O-N 3.23Å |
| 86 | D | 73 | Confident | 74 | Confident | 144 Ų | 144 | 65 Ų | 65 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -52.2 | -37.5 | -177.5 | -64.9 | -17.8 | 0 | 0 | 0 | 113.8 | Q88 I89 | D86-Q88 PolarHBondContact O-N 2.82Å; D86-I89 PolarHBondContact O-N 2.81Å |
| 87 | D | 71 | Confident | 73.6 | Confident | 116 Ų | 116 | 66 Ų | 66 | 62% | 0.62 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.8 | -22.1 | 176.1 | 60.4 | -62.5 | 0 | 0 | 0 | 113.2 | T85 | T85-D87 WeakPolarHBondContact CB-OD1 3.15Å; T85-D87 PolarHBondContact O-N 2.76Å; T85-D87 VanDerWaalsContact O-N 3.11Å; T85-D87 PolarHBondContact OG1-OD1 2.85Å |
| 88 | Q | 71.3 | Confident | 73.3 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -96.3 | -17.7 | 179.2 | -61.3 | 177.3 | -9.6 | 0 | 0 | 113.3 | F52 I84 T85 D86 S90 K91 | F52-Q88 VanDerWaalsContact CE1-OE1 3.24Å; I84-Q88 HydrophobicContact CG2-CB 3.84Å; T85-Q88 CarbonylContact O-C 3.53Å; T85-Q88 VanDerWaalsContact O-CA 3.31Å; T85-Q88 WeakPolarHBondContact O-CA 3.16Å; T85-Q88 WeakPolarHBondContact O-CB 3.48Å; T85-Q88 PolarHBondContact O-N 2.87Å; T85-Q88 VanDerWaalsContact OG1-CD 3.28Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.41Å; D86-Q88 PolarHBondContact O-N 2.82Å; Q88-S90 PolarHBondContact O-N 2.9Å; Q88-S90 VanDerWaalsContact O-N 3.16Å; Q88-K91 WeakPolarHBondContact O-CA 3.38Å; Q88-K91 VanDerWaalsContact O-CB 3.29Å; Q88-K91 WeakPolarHBondContact O-CB 3.41Å; Q88-K91 PolarHBondContact O-N 2.79Å |
| 89 | I | 64.7 | Low | 73.2 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.5 | -35.5 | 178.1 | -64.1 | 179.4 | 0 | 0 | 0 | 111.2 | E26 I84 T85 D86 K91 | E26-I89 WeakPolarHBondContact OE2-CG1 3.24Å; I84-I89 HydrophobicContact CG2-CG1 3.91Å; T85-I89 WeakPolarHBondContact O-CG1 3.27Å; T85-I89 PolarHBondContact O-N 3.23Å; D86-I89 PolarHBondContact O-N 2.81Å; I89-K91 VanDerWaalsContact C-N 3.27Å; I89-K91 PolarHBondContact O-N 3.49Å |
| 90 | S | 57.8 | Low | 72.9 | Confident | 104 Ų | 104 | 72 Ų | 72 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.2 | 177.9 | 70.7 | 0 | 0 | 0 | 0 | 114 | Q88 K92 | Q88-S90 PolarHBondContact O-N 2.9Å; Q88-S90 VanDerWaalsContact O-N 3.16Å; S90-K92 PolarHBondContact O-N 3.33Å |
| 91 | K | 57.2 | Low | 72.6 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 45% | 0.452 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -76.3 | 66.6 | 169.2 | -64 | -177.8 | 177.9 | -179.6 | 0 | 108.6 | Q88 I89 | Q88-K91 WeakPolarHBondContact O-CA 3.38Å; Q88-K91 VanDerWaalsContact O-CB 3.29Å; Q88-K91 WeakPolarHBondContact O-CB 3.41Å; Q88-K91 PolarHBondContact O-N 2.79Å; I89-K91 VanDerWaalsContact C-N 3.27Å; I89-K91 PolarHBondContact O-N 3.49Å |
| 92 | K | 52.9 | Low | 72.4 | Confident | 160 Ų | 160 | 78.8 Ų | 78.8 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | trans | -37.4 | 147 | 166.9 | -106.8 | 179.3 | 175.3 | 178.6 | 0 | 109.8 | K51 S90 C94 | K51-K92 PolarHBondContact NZ-O 3.18Å; S90-K92 PolarHBondContact O-N 3.33Å; K92-C94 PolarHBondContact O-N 3.41Å | ||
| 93 | V | 55.2 | Low | 72.4 | Confident | 56 Ų | 56 | 79 Ų | 79 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | trans | -66 | 63.3 | 170 | -164.8 | 0 | 0 | 0 | 0 | 109.4 | M28 N95 I100 | M28-V93 HydrophobicContact CE-CG2 3.81Å; M28-V93 HydrophobicContact SD-CG2 3.85Å; V93-N95 PolarHBondContact O-N 3.46Å; V93-I100 HydrophobicContact CG1-CG2 4.11Å | ||
| 94 | C | 42.4 | Very low | 72.6 | Confident | 88 Ų | 88 | 84.2 Ų | 84.2 | 60% | 0.595 | 45% | 0.446 | S | S | * | . | trans | -68.2 | 88 | 156.5 | -66.2 | 0 | 0 | 0 | 0 | 104.9 | K51 K92 | K51-C94 PolarHBondContact NZ-O 3.08Å; K92-C94 PolarHBondContact O-N 3.41Å | ||
| 95 | N | 51.8 | Low | 73.1 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 157.7 | 102.2 | 139.1 | -75.1 | -5 | 0 | 0 | 0 | 111.6 | V93 S97 | V93-N95 PolarHBondContact O-N 3.46Å; N95-S97 VanDerWaalsContact C-N 3.27Å; N95-S97 PolarHBondContact O-N 3.46Å |
| 96 | E | 63.1 | Low | 73.8 | Confident | 197 Ų | 197 | 87.6 Ų | 87.6 | 92% | 0.921 | 47% | 0.469 | S | S | * | . | 52.5 | -19.3 | 129.1 | -59.8 | -175 | 172.7 | 0 | 0 | 123 | P98 | E96-P98 WeakPolarHBondContact O-CD 3.19Š| |||
| 97 | S | 75.6 | Confident | 74.9 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 30% | 0.301 | 46% | 0.458 | S | S | . | . | trans | -82 | 123.2 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | N95 H99 I100 | N95-S97 VanDerWaalsContact C-N 3.27Å; N95-S97 PolarHBondContact O-N 3.46Å; S97-H99 PolarHBondContact O-N 2.88Å; S97-H99 VanDerWaalsContact O-N 3.08Å; S97-H99 PolarHBondContact OG-N 2.98Å; S97-I100 PolarHBondContact O-N 2.81Å | ||
| 98 | P | 84.3 | Confident | 76.1 | Confident | 112 Ų | 112 | 81.8 Ų | 81.8 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -8.6 | 175 | 29.4 | -35.3 | 0 | 0 | 0 | 113 | E96 | E96-P98 WeakPolarHBondContact O-CD 3.19Š|
| 99 | H | 90.3 | Very high | 77.4 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 30% | 0.301 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -14.2 | -178.9 | -60.6 | -69.4 | 0 | 0 | 0 | 113.6 | Y30 K31 S97 | Y30-H99 WeakPolarHBondContact CA-O 3.38Å; Y30-H99 HydrophobicContact CD2-CB 3.86Å; Y30-H99 HydrophobicContact CE2-CB 3.42Å; Y30-H99 VanDerWaalsContact CE2-CB 3.42Å; K31-H99 PolarHBondContact N-O 2.77Å; K31-H99 VanDerWaalsContact O-CB 3.28Å; K31-H99 WeakPolarHBondContact O-CB 3.28Å; K31-H99 PolarHBondContact O-ND1 2.97Å; S97-H99 PolarHBondContact O-N 2.88Å; S97-H99 VanDerWaalsContact O-N 3.08Å; S97-H99 PolarHBondContact OG-N 2.98Å |
| 100 | I | 89 | Confident | 78.9 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 17% | 0.174 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.7 | -177.3 | -56.2 | 171.4 | 0 | 0 | 0 | 109.1 | M28 G29 Y30 I47 V93 S97 | M28-I100 HydrophobicContact CG-CG2 4.18Å; M28-I100 HydrophobicContact SD-CG2 3.67Å; G29-I100 WeakPolarHBondContact O-CA 3.45Å; Y30-I100 HydrophobicContact CD2-CG1 4.12Å; I47-I100 HydrophobicContact CG2-CD1 3.38Å; I47-I100 HydrophobicContact CG2-CG1 3.92Å; V93-I100 HydrophobicContact CG1-CG2 4.11Å; S97-I100 PolarHBondContact O-N 2.81Å |
| 101 | F | 89.9 | Confident | 80.8 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161.5 | 179.5 | 63.4 | -81.7 | 0 | 0 | 0 | 111.6 | G29 K31 T79 | G29-F101 PolarHBondContact N-O 2.93Å; G29-F101 PolarHBondContact O-N 2.92Å; K31-F101 HydrophobicContact CB-CE1 4.04Å; K31-F101 HydrophobicContact CD-CD1 4.32Å; K31-F101 HydrophobicContact CD-CE1 3.74Å; K31-F101 HydrophobicContact CD-CZ 4.38Å; K31-F101 HydrophobicContact CG-CD1 4.23Å; K31-F101 HydrophobicContact CG-CE1 3.71Å; T79-F101 HydrophobicContact CG2-CE1 4.03Å; T79-F101 HydrophobicContact CG2-CZ 3.54Å |
| 102 | Q | 88.5 | Confident | 82.6 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.4 | 169.5 | -171 | 169.9 | -3.9 | 0 | 0 | 108.7 | E26 W27 I84 | E26-Q102 PolarHBondContact OE2-NE2 2.96Å; W27-Q102 CarbonylContact O-C 3.59Å; W27-Q102 VanDerWaalsContact O-CA 3.31Å; W27-Q102 WeakPolarHBondContact O-CA 3.36Å; I84-Q102 HydrophobicContact CD1-CG 3.88Å |
| 103 | S | 91.1 | Very high | 84.6 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.8 | 178.7 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | W27 | W27-S103 PolarHBondContact N-O 3.15Å; W27-S103 PolarHBondContact O-N 2.96Å |
| 104 | E | 92.3 | Very high | 86.3 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.8 | 169.6 | -171.3 | -177 | 167.9 | 0 | 0 | 108.3 | ||
| 105 | W | 94.8 | Very high | 88.6 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.7 | 172.8 | -74.1 | 6.2 | 0 | 0 | 0 | 108.4 | V22 T24 S25 W27 V63 L81 F108 Y149 W168 | V22-W105 HydrophobicContact CG1-CE3 4.02Å; V22-W105 HydrophobicContact CG1-CZ3 4.28Å; T24-W105 WeakPolarHBondContact CA-O 3.27Å; T24-W105 WeakPolarHBondContact CG2-O 3.27Å; S25-W105 PolarHBondContact N-O 3.21Å; S25-W105 VanDerWaalsContact N-O 3.1Å; S25-W105 PolarHBondContact O-N 3.25Å; W27-W105 AromaticContact CD1-CD1 3.97Å; W27-W105 AromaticContact CD1-CD2 3.71Å; W27-W105 AromaticContact CD1-CG 3.65Å; W27-W105 AromaticContact CE2-CE3 3.84Å; W27-W105 HydrophobicContact CG-CD2 4.48Å; W27-W105 HydrophobicContact CZ2-CE3 4.12Å; W27-W105 HydrophobicContact CZ2-CZ3 4.17Å; W27-W105 AromaticContact NE1-CD2 3.47Å; W27-W105 AromaticContact NE1-CE3 3.46Å; W27-W105 AromaticContact NE1-CG 3.7Å; V63-W105 HydrophobicContact CG1-CH2 3.83Å; L81-W105 HydrophobicContact CD1-CH2 4.2Å; L81-W105 HydrophobicContact CD1-CZ2 3.49Å; L81-W105 VanDerWaalsContact CD1-CZ2 3.49Å; W105-F108 HydrophobicContact CB-CE1 4.29Å; W105-F108 AromaticContact CD2-CE1 3.93Å; W105-F108 HydrophobicContact CD2-CE1 3.93Å; W105-F108 HydrophobicContact CD2-CZ 4.31Å; W105-F108 AromaticContact CE3-CE1 3.58Å; W105-F108 HydrophobicContact CE3-CE1 3.58Å; W105-F108 AromaticContact CE3-CZ 3.71Å; W105-F108 HydrophobicContact CE3-CZ 3.71Å; W105-F108 HydrophobicContact CG-CE1 4.28Å; W105-F108 HydrophobicContact CH2-CZ 4.25Å; W105-F108 HydrophobicContact CZ3-CE1 4.08Å; W105-F108 AromaticContact CZ3-CZ 3.69Å; W105-F108 HydrophobicContact CZ3-CZ 3.69Å; W105-Y149 AromaticContact CH2-CD1 3.73Å; W105-Y149 HydrophobicContact CH2-CD1 3.73Å; W105-Y149 AromaticContact CH2-CE1 3.57Å; W105-Y149 HydrophobicContact CH2-CE1 3.57Å; W105-Y149 HydrophobicContact CZ2-CD1 4.13Å; W105-Y149 AromaticContact CZ2-CE1 3.57Å; W105-Y149 HydrophobicContact CZ2-CE1 3.57Å; W105-W168 HydrophobicContact CZ3-CZ3 4.36Å |
| 106 | S | 94.6 | Very high | 90.5 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 60% | 0.601 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 167.5 | 161.3 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | F108 | S106-F108 VanDerWaalsContact O-CD1 3.27Å; S106-F108 WeakPolarHBondContact O-CD1 3.37Å; S106-F108 PolarHBondContact O-N 2.88Å |
| 107 | N | 95.3 | Very high | 91.7 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 54% | 0.54 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 139 | 175.2 | 90.2 | -75.3 | 0 | 0 | 0 | 110.8 | V22 | V22-N107 VanDerWaalsContact O-CA 3.26Å; V22-N107 WeakPolarHBondContact O-CA 3.42Å; V22-N107 WeakPolarHBondContact O-CB 3.48Å |
| 108 | F | 96.7 | Very high | 92.2 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 17% | 0.167 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 155.1 | 173.8 | 61.1 | -87.9 | 0 | 0 | 0 | 111.2 | S21 V22 W105 S106 V110 Y149 K170 | S21-F108 CarbonylContact C-O 3.55Å; V22-F108 HydrophobicContact CB-CD1 4.17Å; V22-F108 HydrophobicContact CB-CD2 4.29Å; V22-F108 HydrophobicContact CB-CE1 3.91Å; V22-F108 HydrophobicContact CB-CE2 4.06Å; V22-F108 HydrophobicContact CB-CG 4.34Å; V22-F108 HydrophobicContact CB-CZ 3.85Å; V22-F108 HydrophobicContact CG1-CD1 4.44Å; V22-F108 HydrophobicContact CG1-CE1 3.78Å; V22-F108 HydrophobicContact CG1-CE2 4.49Å; V22-F108 HydrophobicContact CG1-CZ 3.81Å; V22-F108 HydrophobicContact CG2-CD2 4.1Å; V22-F108 HydrophobicContact CG2-CE1 4.39Å; V22-F108 HydrophobicContact CG2-CE2 3.67Å; V22-F108 HydrophobicContact CG2-CZ 3.82Å; V22-F108 PolarHBondContact N-O 3.38Å; V22-F108 PolarHBondContact O-N 2.94Å; W105-F108 HydrophobicContact CB-CE1 4.29Å; W105-F108 AromaticContact CD2-CE1 3.93Å; W105-F108 HydrophobicContact CD2-CE1 3.93Å; W105-F108 HydrophobicContact CD2-CZ 4.31Å; W105-F108 AromaticContact CE3-CE1 3.58Å; W105-F108 HydrophobicContact CE3-CE1 3.58Å; W105-F108 AromaticContact CE3-CZ 3.71Å; W105-F108 HydrophobicContact CE3-CZ 3.71Å; W105-F108 HydrophobicContact CG-CE1 4.28Å; W105-F108 HydrophobicContact CH2-CZ 4.25Å; W105-F108 HydrophobicContact CZ3-CE1 4.08Å; W105-F108 AromaticContact CZ3-CZ 3.69Å; W105-F108 HydrophobicContact CZ3-CZ 3.69Å; S106-F108 VanDerWaalsContact O-CD1 3.27Å; S106-F108 WeakPolarHBondContact O-CD1 3.37Å; S106-F108 PolarHBondContact O-N 2.88Å; F108-V110 HydrophobicContact CD2-CG1 3.6Å; F108-V110 HydrophobicContact CE2-CG1 3.43Å; F108-V110 VanDerWaalsContact CE2-CG1 3.43Å; F108-Y149 HydrophobicContact CE2-CE2 4.36Å; F108-K170 HydrophobicContact CD2-CD 4.32Å; F108-K170 HydrophobicContact CD2-CG 3.98Å; F108-K170 HydrophobicContact CE2-CG 4.2Å |
| 109 | S | 97.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.7 | 179.4 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | G20 V171 | G20-S109 CarbonylContact O-C 3.55Å; G20-S109 VanDerWaalsContact O-CA 3.27Å; G20-S109 WeakPolarHBondContact O-CA 3.41Å; S109-V171 PolarHBondContact O-N 2.76Å |
| 110 | V | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.5 | 178 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | K19 G20 V22 F108 I112 W168 L169 K170 | K19-V110 CarbonylContact C-O 3.45Å; K19-V110 WeakPolarHBondContact CA-O 3.12Å; G20-V110 PolarHBondContact N-O 3.27Å; G20-V110 PolarHBondContact O-N 3.08Å; V22-V110 HydrophobicContact CG2-CG1 4Å; V22-V110 HydrophobicContact CG2-CG2 3.77Å; F108-V110 HydrophobicContact CD2-CG1 3.6Å; F108-V110 HydrophobicContact CE2-CG1 3.43Å; F108-V110 VanDerWaalsContact CE2-CG1 3.43Å; V110-I112 HydrophobicContact CG2-CD1 3.9Å; V110-I112 HydrophobicContact CG2-CG1 3.64Å; V110-W168 HydrophobicContact CB-CB 4.02Å; V110-W168 HydrophobicContact CB-CG 4.42Å; V110-W168 HydrophobicContact CG1-CB 4.1Å; V110-W168 HydrophobicContact CG1-CE3 4.38Å; V110-W168 HydrophobicContact CG2-CB 4.24Å; V110-W168 HydrophobicContact CG2-CD2 4.07Å; V110-W168 HydrophobicContact CG2-CE3 4.25Å; V110-W168 HydrophobicContact CG2-CG 4.09Å; V110-L169 CarbonylContact C-O 3.52Å; V110-L169 WeakPolarHBondContact CA-O 3.33Å; V110-L169 WeakPolarHBondContact CB-O 3.12Å; V110-K170 HydrophobicContact CG1-CG 4.29Å |
| 111 | Y | 97.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.7 | 156.2 | -62.9 | -66.3 | 0 | 0 | 0 | 109.6 | Y12 V17 K18 K19 L136 F141 N142 W168 L169 V171 | Y12-Y111 HydrophobicContact CE2-CD1 4.44Å; Y12-Y111 HydrophobicContact CE2-CE1 4.1Å; V17-Y111 HydrophobicContact CG1-CD1 4.21Å; K18-Y111 CarbonylContact O-C 3.48Å; K18-Y111 VanDerWaalsContact O-CA 3.32Å; K18-Y111 WeakPolarHBondContact O-CA 3.48Å; K19-Y111 HydrophobicContact CB-CD1 4.31Å; K19-Y111 HydrophobicContact CB-CE1 4.33Å; K19-Y111 HydrophobicContact CD-CE1 4.38Å; K19-Y111 HydrophobicContact CG-CE1 4.41Å; Y111-L136 HydrophobicContact CD1-CD2 4.31Å; Y111-L136 HydrophobicContact CD2-CD1 4.32Å; Y111-L136 HydrophobicContact CD2-CD2 4.11Å; Y111-L136 HydrophobicContact CG-CD2 3.87Å; Y111-F141 HydrophobicContact CD1-CD1 4.46Å; Y111-F141 HydrophobicContact CE1-CB 4.49Å; Y111-F141 AromaticContact CE1-CD1 3.6Å; Y111-F141 HydrophobicContact CE1-CD1 3.6Å; Y111-F141 HydrophobicContact CE1-CE1 4.14Å; Y111-F141 HydrophobicContact CE1-CG 4.29Å; Y111-F141 HydrophobicContact CE2-CB 3.98Å; Y111-F141 AromaticContact CZ-CD1 3.64Å; Y111-N142 WeakPolarHBondContact CE2-O 3.26Å; Y111-W168 VanDerWaalsContact O-CA 3.27Å; Y111-W168 WeakPolarHBondContact O-CA 3.31Å; Y111-L169 PolarHBondContact N-O 3.34Å; Y111-L169 PolarHBondContact O-N 3.06Å; Y111-V171 HydrophobicContact CD2-CG2 3.99Å; Y111-V171 HydrophobicContact CE1-CG2 4.41Å; Y111-V171 HydrophobicContact CE2-CB 4.39Å; Y111-V171 HydrophobicContact CE2-CG1 4.35Å; Y111-V171 HydrophobicContact CE2-CG2 3.78Å; Y111-V171 HydrophobicContact CG-CG2 4.39Å |
| 112 | I | 95.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.9 | -170.9 | -53.1 | 174.4 | 0 | 0 | 0 | 108.6 | Y6 K18 V110 E166 I167 W168 | Y6-I112 HydrophobicContact CD1-CD1 3.89Å; Y6-I112 HydrophobicContact CD2-CD1 3.54Å; Y6-I112 HydrophobicContact CE1-CD1 3.77Å; Y6-I112 HydrophobicContact CE2-CD1 3.39Å; Y6-I112 HydrophobicContact CG-CD1 3.79Å; K18-I112 HydrophobicContact CB-CB 4.32Å; K18-I112 PolarHBondContact N-O 2.78Å; K18-I112 PolarHBondContact O-N 2.96Å; V110-I112 HydrophobicContact CG2-CD1 3.9Å; V110-I112 HydrophobicContact CG2-CG1 3.64Å; I112-E166 HydrophobicContact CG2-CB 4.17Å; I112-E166 HydrophobicContact CG2-CG 4.06Å; I112-I167 WeakPolarHBondContact CA-O 3.33Å; I112-W168 HydrophobicContact CG1-CG 4.34Å |
| 113 | K | 93.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128 | 163.7 | 178.8 | -175.9 | 172.2 | -171.1 | 0 | 108.7 | E128 D131 F132 E166 I167 | K113-E128 WeakPolarHBondContact CE-OE2 3.5Å; K113-E128 PolarHBondContact NZ-O 2.99Å; K113-E128 IonicContact NZ-OE2 2.87Å; K113-E128 PolarHBondContact NZ-OE2 2.97Å; K113-D131 IonicContact NZ-OD2 3.5Å; K113-D131 PolarHBondContact NZ-OD2 2.82Å; K113-F132 HydrophobicContact CB-CB 4.28Å; K113-F132 HydrophobicContact CB-CD1 3.63Å; K113-F132 HydrophobicContact CB-CD2 3.61Å; K113-F132 HydrophobicContact CB-CE1 3.74Å; K113-F132 HydrophobicContact CB-CE2 3.75Å; K113-F132 HydrophobicContact CB-CG 3.56Å; K113-F132 HydrophobicContact CB-CZ 3.8Å; K113-F132 HydrophobicContact CD-CB 3.54Å; K113-F132 HydrophobicContact CD-CD1 4.45Å; K113-F132 HydrophobicContact CD-CD2 3.98Å; K113-F132 HydrophobicContact CD-CG 3.75Å; K113-F132 HydrophobicContact CG-CD2 4.3Å; K113-F132 HydrophobicContact CG-CG 4.29Å; K113-E166 CarbonylContact O-C 3.53Å; K113-E166 WeakPolarHBondContact O-CA 3.29Å; K113-I167 PolarHBondContact N-O 3.37Å; K113-I167 PolarHBondContact O-N 2.83Å |
| 114 | R | 91.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.4 | 173.5 | -163.3 | 169.7 | -170 | 120.7 | 4.6 | 109.7 | D162 G163 A165 E166 | R114-D162 WeakPolarHBondContact CG-O 3.19Å; R114-G163 PolarHBondContact NE-O 2.88Å; R114-G163 PolarHBondContact NH2-O 3.49Å; R114-A165 WeakPolarHBondContact CA-O 3.5Å; R114-A165 WeakPolarHBondContact CG-O 3.32Å; R114-E166 HydrophobicContact CB-CG 3.96Å; R114-E166 HydrophobicContact CG-CG 3.76Å; R114-E166 IonicContact CZ-OE1 3.5Å; R114-E166 IonicContact NE-OE1 2.67Å; R114-E166 IonicContact NH1-OE1 3.66Å; R114-E166 PolarHBondContact NH1-OE1 3.16Å |
| 115 | F | 91.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 170.5 | -177.9 | 70.9 | -73.9 | 0 | 0 | 0 | 110.8 | L117 F125 E128 G163 N164 A165 I167 | F115-L117 HydrophobicContact CD2-CG 4.49Å; F115-L117 HydrophobicContact CE2-CD2 3.49Å; F115-L117 VanDerWaalsContact CE2-CD2 3.49Å; F115-L117 HydrophobicContact CE2-CG 3.7Å; F115-L117 HydrophobicContact CZ-CD2 3.91Å; F115-L117 HydrophobicContact CZ-CG 4.04Å; F115-F125 HydrophobicContact CE1-CD1 4.41Å; F115-F125 HydrophobicContact CE1-CE1 4.49Å; F115-F125 HydrophobicContact CE2-CD1 4.5Å; F115-F125 AromaticContact CZ-CD1 3.59Å; F115-F125 HydrophobicContact CZ-CD1 3.59Å; F115-F125 AromaticContact CZ-CE1 3.76Å; F115-F125 HydrophobicContact CZ-CE1 3.76Å; F115-F125 HydrophobicContact CZ-CG 4.45Å; F115-E128 HydrophobicContact CD2-CB 3.97Å; F115-E128 HydrophobicContact CD2-CG 3.48Å; F115-E128 VanDerWaalsContact CD2-CG 3.48Å; F115-E128 HydrophobicContact CE2-CB 3.92Å; F115-E128 HydrophobicContact CE2-CG 3.69Å; F115-E128 HydrophobicContact CG-CB 4.27Å; F115-E128 HydrophobicContact CG-CG 4.09Å; F115-E128 HydrophobicContact CZ-CB 4.24Å; F115-E128 HydrophobicContact CZ-CG 4.49Å; F115-G163 CarbonylContact O-C 3.56Å; F115-G163 VanDerWaalsContact O-CA 3.25Å; F115-G163 WeakPolarHBondContact O-CA 3.48Å; F115-N164 PolarHBondContact O-N 2.71Å; F115-A165 HydrophobicContact CD1-CB 4.04Å; F115-A165 HydrophobicContact CD2-CB 4.5Å; F115-A165 HydrophobicContact CE1-CB 3.51Å; F115-A165 HydrophobicContact CE2-CB 4.08Å; F115-A165 HydrophobicContact CG-CB 4.5Å; F115-A165 HydrophobicContact CZ-CB 3.56Å; F115-A165 PolarHBondContact N-O 3Å; F115-A165 PolarHBondContact O-N 3.39Å; F115-A165 VanDerWaalsContact O-N 3.15Å; F115-I167 HydrophobicContact CD1-CD1 4.26Å; F115-I167 HydrophobicContact CD1-CG1 4.02Å; F115-I167 HydrophobicContact CE1-CD1 3.88Å; F115-I167 HydrophobicContact CE1-CG1 3.47Å; F115-I167 VanDerWaalsContact CE1-CG1 3.47Å; F115-I167 HydrophobicContact CZ-CD1 4.4Å; F115-I167 HydrophobicContact CZ-CG1 4.26Å |
| 116 | H | 90.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | trans | -107.5 | 108.9 | -178 | -163.7 | 97.7 | 0 | 0 | 0 | 110.3 | ||||
| 117 | L | 88.1 | Confident | 92.7 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -71.9 | 129.1 | 170.2 | -73.4 | 165.2 | 0 | 0 | 0 | 110.4 | F115 E124 F125 I152 N164 A165 | F115-L117 HydrophobicContact CD2-CG 4.49Å; F115-L117 HydrophobicContact CE2-CD2 3.49Å; F115-L117 VanDerWaalsContact CE2-CD2 3.49Å; F115-L117 HydrophobicContact CE2-CG 3.7Å; F115-L117 HydrophobicContact CZ-CD2 3.91Å; F115-L117 HydrophobicContact CZ-CG 4.04Å; L117-E124 HydrophobicContact CD2-CB 4.41Å; L117-E124 HydrophobicContact CD2-CG 4.07Å; L117-F125 HydrophobicContact CD1-CE1 3.76Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CZ 3.19Å; L117-F125 HydrophobicContact CD2-CD1 4.29Å; L117-F125 HydrophobicContact CD2-CD2 3.99Å; L117-F125 HydrophobicContact CD2-CE1 4.02Å; L117-F125 HydrophobicContact CD2-CE2 3.7Å; L117-F125 HydrophobicContact CD2-CG 4.26Å; L117-F125 HydrophobicContact CD2-CZ 3.72Å; L117-F125 HydrophobicContact CG-CE1 4.33Å; L117-F125 HydrophobicContact CG-CE2 4.43Å; L117-F125 HydrophobicContact CG-CZ 4.04Å; L117-I152 HydrophobicContact CD1-CG2 4.4Å; L117-N164 WeakPolarHBondContact CB-OD1 3.2Å; L117-N164 PolarHBondContact N-OD1 2.9Å; L117-N164 PolarHBondContact O-ND2 2.77Å; L117-A165 HydrophobicContact CD1-CB 3.34Å; L117-A165 HydrophobicContact CG-CB 3.54Å | ||
| 118 | K | 87.7 | Confident | 92.7 | Very high | 187 Ų | 187 | 57.6 Ų | 57.6 | 81% | 0.813 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -78.2 | -34.7 | 165.3 | -61.6 | 168.5 | -171.6 | 164.3 | 0 | 110.9 | E124 | K118-E124 WeakPolarHBondContact CB-OE1 3.25Å; K118-E124 WeakPolarHBondContact CG-OE1 3.44Å; K118-E124 PolarHBondContact N-OE1 3.35Å; K118-E124 PolarHBondContact N-OE2 2.96Å |
| 119 | S | 86.9 | Confident | 92.6 | Very high | 54 Ų | 54 | 56 Ų | 56 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -151.1 | 152.3 | 178.3 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | K121 E124 | S119-K121 VanDerWaalsContact C-N 3.26Å; S119-K121 PolarHBondContact O-N 2.96Å; S119-K121 WeakPolarHBondContact OG-CG 3.32Å; S119-E124 PolarHBondContact N-OE2 2.84Å; S119-E124 PolarHBondContact OG-OE2 3.45Å |
| 120 | I | 89.5 | Confident | 92.4 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -78.2 | 83.8 | 172.8 | -58 | 173.2 | 0 | 0 | 0 | 107.5 | F37 M41 F125 I152 | F37-I120 HydrophobicContact CE1-CG2 4.08Å; F37-I120 HydrophobicContact CZ-CG2 4.19Å; M41-I120 HydrophobicContact CE-CG2 4.35Å; I120-F125 HydrophobicContact CG2-CE2 4.38Å; I120-I152 HydrophobicContact CD1-CG2 3.94Å; I120-I152 HydrophobicContact CG1-CG2 4.19Å; I120-I152 HydrophobicContact CG2-CD1 3.99Å |
| 121 | K | 90.3 | Very high | 92.3 | Very high | 96 Ų | 96 | 63.3 Ų | 63.3 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -136 | 138.1 | -179.3 | -74.9 | -68.1 | 174.3 | -169.6 | 0 | 110.8 | D38 S119 D123 E124 F125 | D38-K121 VanDerWaalsContact CG-NZ 3.32Å; D38-K121 IonicContact OD1-NZ 2.85Å; D38-K121 PolarHBondContact OD1-NZ 3.09Å; D38-K121 IonicContact OD2-NZ 2.7Å; D38-K121 PolarHBondContact OD2-NZ 2.67Å; S119-K121 VanDerWaalsContact C-N 3.26Å; S119-K121 PolarHBondContact O-N 2.96Å; S119-K121 WeakPolarHBondContact OG-CG 3.32Å; K121-D123 VanDerWaalsContact C-N 3.33Å; K121-D123 PolarHBondContact O-N 3.33Å; K121-E124 PolarHBondContact O-N 3.5Å; K121-F125 WeakPolarHBondContact O-CD2 3.28Å; K121-F125 PolarHBondContact O-N 2.82Å | ||
| 122 | Q | 92.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.5 | -45.2 | -174.7 | -173.5 | 179.1 | -25.2 | 0 | 0 | 112.9 | F37 E124 F125 M126 W150 | F37-Q122 HydrophobicContact CB-CB 3.94Å; F37-Q122 HydrophobicContact CB-CG 4.14Å; F37-Q122 HydrophobicContact CD1-CB 3.77Å; F37-Q122 HydrophobicContact CG-CB 3.95Å; F37-Q122 HydrophobicContact CG-CG 4.33Å; Q122-E124 VanDerWaalsContact C-N 3.31Å; Q122-E124 PolarHBondContact O-N 2.97Å; Q122-F125 PolarHBondContact O-N 3.1Å; Q122-M126 HydrophobicContact CG-CG 4.14Å; Q122-M126 WeakPolarHBondContact O-CG 3.37Å; Q122-M126 PolarHBondContact O-N 3.23Å; Q122-W150 HydrophobicContact CG-CH2 4.1Å; Q122-W150 HydrophobicContact CG-CZ3 4.35Å |
| 123 | D | 91.7 | Very high | 92.1 | Very high | 124 Ų | 124 | 65.1 Ų | 65.1 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | -176.3 | -65.5 | -16.5 | 0 | 0 | 0 | 112.6 | K121 F125 M126 D127 | K121-D123 VanDerWaalsContact C-N 3.33Å; K121-D123 PolarHBondContact O-N 3.33Å; D123-F125 PolarHBondContact O-N 2.85Å; D123-M126 PolarHBondContact O-N 3.31Å; D123-D127 PolarHBondContact O-N 3.17Å |
| 124 | E | 93.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 68.9 Ų | 68.9 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 179.6 | -169.5 | 169.4 | -174.1 | 0 | 0 | 111.2 | L117 K118 S119 K121 Q122 E128 | L117-E124 HydrophobicContact CD2-CB 4.41Å; L117-E124 HydrophobicContact CD2-CG 4.07Å; K118-E124 WeakPolarHBondContact CB-OE1 3.25Å; K118-E124 WeakPolarHBondContact CG-OE1 3.44Å; K118-E124 PolarHBondContact N-OE1 3.35Å; K118-E124 PolarHBondContact N-OE2 2.96Å; S119-E124 PolarHBondContact N-OE2 2.84Å; S119-E124 PolarHBondContact OG-OE2 3.45Å; K121-E124 PolarHBondContact O-N 3.5Å; Q122-E124 VanDerWaalsContact C-N 3.31Å; Q122-E124 PolarHBondContact O-N 2.97Å; E124-E128 VanDerWaalsContact O-CG 3.32Å; E124-E128 WeakPolarHBondContact O-CG 3.41Å; E124-E128 PolarHBondContact O-N 2.77Å |
| 125 | F | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 172.5 | -76.8 | -81.9 | 0 | 0 | 0 | 112.8 | F37 F115 L117 I120 K121 Q122 D123 E128 T129 W150 I152 A165 | F37-F125 HydrophobicContact CZ-CD2 4.25Å; F37-F125 HydrophobicContact CZ-CE2 4.07Å; F115-F125 HydrophobicContact CE1-CD1 4.41Å; F115-F125 HydrophobicContact CE1-CE1 4.49Å; F115-F125 HydrophobicContact CE2-CD1 4.5Å; F115-F125 AromaticContact CZ-CD1 3.59Å; F115-F125 HydrophobicContact CZ-CD1 3.59Å; F115-F125 AromaticContact CZ-CE1 3.76Å; F115-F125 HydrophobicContact CZ-CE1 3.76Å; F115-F125 HydrophobicContact CZ-CG 4.45Å; L117-F125 HydrophobicContact CD1-CE1 3.76Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CZ 3.19Å; L117-F125 HydrophobicContact CD2-CD1 4.29Å; L117-F125 HydrophobicContact CD2-CD2 3.99Å; L117-F125 HydrophobicContact CD2-CE1 4.02Å; L117-F125 HydrophobicContact CD2-CE2 3.7Å; L117-F125 HydrophobicContact CD2-CG 4.26Å; L117-F125 HydrophobicContact CD2-CZ 3.72Å; L117-F125 HydrophobicContact CG-CE1 4.33Å; L117-F125 HydrophobicContact CG-CE2 4.43Å; L117-F125 HydrophobicContact CG-CZ 4.04Å; I120-F125 HydrophobicContact CG2-CE2 4.38Å; K121-F125 WeakPolarHBondContact O-CD2 3.28Å; K121-F125 PolarHBondContact O-N 2.82Å; Q122-F125 PolarHBondContact O-N 3.1Å; D123-F125 PolarHBondContact O-N 2.85Å; F125-E128 PolarHBondContact O-N 2.89Å; F125-T129 VanDerWaalsContact O-CB 3.28Å; F125-T129 WeakPolarHBondContact O-CB 3.46Å; F125-T129 PolarHBondContact O-N 3.08Å; F125-T129 PolarHBondContact O-OG1 3.37Å; F125-W150 HydrophobicContact CB-CD2 3.59Å; F125-W150 VanDerWaalsContact CB-CE2 3.41Å; F125-W150 HydrophobicContact CB-CE3 3.72Å; F125-W150 HydrophobicContact CB-CG 4.32Å; F125-W150 HydrophobicContact CB-CH2 3.55Å; F125-W150 HydrophobicContact CB-CZ2 3.41Å; F125-W150 VanDerWaalsContact CB-CZ2 3.41Å; F125-W150 HydrophobicContact CB-CZ3 3.7Å; F125-W150 HydrophobicContact CD1-CB 3.77Å; F125-W150 AromaticContact CD1-CD1 3.84Å; F125-W150 AromaticContact CD1-CD2 3.56Å; F125-W150 HydrophobicContact CD1-CD2 3.56Å; F125-W150 AromaticContact CD1-CE3 3.95Å; F125-W150 HydrophobicContact CD1-CE3 3.95Å; F125-W150 AromaticContact CD1-CG 3.45Å; F125-W150 HydrophobicContact CD1-CG 3.45Å; F125-W150 VanDerWaalsContact CD1-CG 3.45Å; F125-W150 HydrophobicContact CD2-CD2 4.42Å; F125-W150 AromaticContact CD2-CE3 4Å; F125-W150 HydrophobicContact CD2-CE3 4Å; F125-W150 HydrophobicContact CD2-CZ3 4.24Å; F125-W150 HydrophobicContact CE1-CB 3.72Å; F125-W150 HydrophobicContact CE1-CD2 4.32Å; F125-W150 AromaticContact CE1-CG 3.96Å; F125-W150 HydrophobicContact CE1-CG 3.96Å; F125-W150 AromaticContact CG-CD2 3.63Å; F125-W150 HydrophobicContact CG-CD2 3.63Å; F125-W150 AromaticContact CG-CE2 3.99Å; F125-W150 AromaticContact CG-CE3 3.65Å; F125-W150 HydrophobicContact CG-CE3 3.65Å; F125-W150 HydrophobicContact CG-CG 4.07Å; F125-W150 HydrophobicContact CG-CH2 4.37Å; F125-W150 HydrophobicContact CG-CZ2 4.36Å; F125-W150 HydrophobicContact CG-CZ3 4.03Å; F125-I152 HydrophobicContact CE1-CG1 4.32Å; F125-I152 HydrophobicContact CE2-CD1 4.19Å; F125-I152 HydrophobicContact CZ-CD1 3.68Å; F125-I152 HydrophobicContact CZ-CG1 3.73Å; F125-A165 HydrophobicContact CE1-CB 4.36Å |
| 126 | M | 93.3 | Very high | 92.3 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 179.9 | -73.9 | -63.9 | -67.3 | 0 | 0 | 111.5 | Q122 D123 E128 T129 K130 W150 | Q122-M126 HydrophobicContact CG-CG 4.14Å; Q122-M126 WeakPolarHBondContact O-CG 3.37Å; Q122-M126 PolarHBondContact O-N 3.23Å; D123-M126 PolarHBondContact O-N 3.31Å; M126-E128 PolarHBondContact O-N 3.41Å; M126-T129 PolarHBondContact O-N 3.48Å; M126-K130 WeakPolarHBondContact O-CB 3.43Å; M126-K130 PolarHBondContact O-N 3.14Å; M126-W150 HydrophobicContact CG-CH2 4.09Å; M126-W150 HydrophobicContact CG-CZ2 4.23Å; M126-W150 HydrophobicContact SD-CH2 3.95Å; M126-W150 HydrophobicContact SD-CZ2 3.8Å |
| 127 | D | 93.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 63.6 Ų | 63.6 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.6 | -46.5 | 176.4 | -76.1 | -17.4 | 0 | 0 | 0 | 111.2 | D123 T129 K130 D131 | D123-D127 PolarHBondContact O-N 3.17Å; D127-T129 VanDerWaalsContact C-N 3.34Å; D127-T129 PolarHBondContact O-N 2.85Å; D127-K130 PolarHBondContact O-N 3.28Å; D127-D131 PolarHBondContact O-N 3.08Å; D127-D131 VanDerWaalsContact O-N 3.08Å |
| 128 | E | 94.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 70.5 Ų | 70.5 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69 | -32.3 | 179.6 | -69.9 | -75 | 173 | 0 | 0 | 112.6 | K113 F115 E124 F125 M126 F132 I167 | K113-E128 WeakPolarHBondContact CE-OE2 3.5Å; K113-E128 PolarHBondContact NZ-O 2.99Å; K113-E128 IonicContact NZ-OE2 2.87Å; K113-E128 PolarHBondContact NZ-OE2 2.97Å; F115-E128 HydrophobicContact CD2-CB 3.97Å; F115-E128 HydrophobicContact CD2-CG 3.48Å; F115-E128 VanDerWaalsContact CD2-CG 3.48Å; F115-E128 HydrophobicContact CE2-CB 3.92Å; F115-E128 HydrophobicContact CE2-CG 3.69Å; F115-E128 HydrophobicContact CG-CB 4.27Å; F115-E128 HydrophobicContact CG-CG 4.09Å; F115-E128 HydrophobicContact CZ-CB 4.24Å; F115-E128 HydrophobicContact CZ-CG 4.49Å; E124-E128 VanDerWaalsContact O-CG 3.32Å; E124-E128 WeakPolarHBondContact O-CG 3.41Å; E124-E128 PolarHBondContact O-N 2.77Å; F125-E128 PolarHBondContact O-N 2.89Å; M126-E128 PolarHBondContact O-N 3.41Å; E128-F132 WeakPolarHBondContact O-CB 3.46Å; E128-F132 PolarHBondContact O-N 3.49Å; E128-I167 HydrophobicContact CB-CD1 3.72Å; E128-I167 WeakPolarHBondContact O-CD1 3.28Å |
| 129 | T | 95 | Very high | 92.7 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | F125 M126 D127 F132 I133 Y148 W150 I167 | F125-T129 VanDerWaalsContact O-CB 3.28Å; F125-T129 WeakPolarHBondContact O-CB 3.46Å; F125-T129 PolarHBondContact O-N 3.08Å; F125-T129 PolarHBondContact O-OG1 3.37Å; M126-T129 PolarHBondContact O-N 3.48Å; D127-T129 VanDerWaalsContact C-N 3.34Å; D127-T129 PolarHBondContact O-N 2.85Å; T129-F132 WeakPolarHBondContact O-CB 3.32Å; T129-F132 PolarHBondContact O-N 2.89Å; T129-I133 HydrophobicContact CG2-CD1 3.99Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å; T129-I133 PolarHBondContact O-N 3.02Å; T129-Y148 HydrophobicContact CG2-CD2 4.29Å; T129-Y148 HydrophobicContact CG2-CE2 3.98Å; T129-W150 PolarHBondContact OG1-NE1 2.81Å; T129-I167 HydrophobicContact CG2-CG2 4.34Å; T129-I167 VanDerWaalsContact N-CD1 3.3Å |
| 130 | K | 93.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 67 Ų | 67 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.1 | -49.1 | 177.7 | -173.5 | -174 | 173.6 | -167.6 | 0 | 111.5 | M126 D127 F132 I133 E134 | M126-K130 WeakPolarHBondContact O-CB 3.43Å; M126-K130 PolarHBondContact O-N 3.14Å; D127-K130 PolarHBondContact O-N 3.28Å; K130-F132 PolarHBondContact O-N 2.99Å; K130-I133 PolarHBondContact O-N 2.9Å; K130-E134 VanDerWaalsContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE1 3.45Å; K130-E134 WeakPolarHBondContact O-CG 3.3Å; K130-E134 PolarHBondContact O-N 2.83Å |
| 131 | D | 93.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 175.4 | 174.4 | 78.7 | 0 | 0 | 0 | 111.5 | K113 D127 E134 Q135 | K113-D131 IonicContact NZ-OD2 3.5Å; K113-D131 PolarHBondContact NZ-OD2 2.82Å; D127-D131 PolarHBondContact O-N 3.08Å; D127-D131 VanDerWaalsContact O-N 3.08Å; D131-E134 PolarHBondContact O-N 3.46Å; D131-Q135 WeakPolarHBondContact O-CG 3.32Å; D131-Q135 PolarHBondContact O-N 2.75Å; D131-Q135 PolarHBondContact OD2-NE2 2.8Å |
| 132 | F | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.3 | -168.2 | -158.2 | 0 | 0 | 0 | 113 | V17 K113 E128 T129 K130 E134 Q135 L136 I167 L169 | V17-F132 HydrophobicContact CB-CE2 4.4Å; V17-F132 HydrophobicContact CG1-CE2 3.89Å; V17-F132 HydrophobicContact CG1-CZ 4.27Å; V17-F132 HydrophobicContact CG2-CD2 4.41Å; V17-F132 HydrophobicContact CG2-CE2 3.81Å; K113-F132 HydrophobicContact CB-CB 4.28Å; K113-F132 HydrophobicContact CB-CD1 3.63Å; K113-F132 HydrophobicContact CB-CD2 3.61Å; K113-F132 HydrophobicContact CB-CE1 3.74Å; K113-F132 HydrophobicContact CB-CE2 3.75Å; K113-F132 HydrophobicContact CB-CG 3.56Å; K113-F132 HydrophobicContact CB-CZ 3.8Å; K113-F132 HydrophobicContact CD-CB 3.54Å; K113-F132 HydrophobicContact CD-CD1 4.45Å; K113-F132 HydrophobicContact CD-CD2 3.98Å; K113-F132 HydrophobicContact CD-CG 3.75Å; K113-F132 HydrophobicContact CG-CD2 4.3Å; K113-F132 HydrophobicContact CG-CG 4.29Å; E128-F132 WeakPolarHBondContact O-CB 3.46Å; E128-F132 PolarHBondContact O-N 3.49Å; T129-F132 WeakPolarHBondContact O-CB 3.32Å; T129-F132 PolarHBondContact O-N 2.89Å; K130-F132 PolarHBondContact O-N 2.99Å; F132-E134 VanDerWaalsContact C-N 3.27Å; F132-E134 PolarHBondContact O-N 3.24Å; F132-Q135 PolarHBondContact O-N 3.48Å; F132-L136 HydrophobicContact CD2-CD1 4.26Å; F132-L136 HydrophobicContact CD2-CD2 4.4Å; F132-L136 HydrophobicContact CD2-CG 3.94Å; F132-L136 HydrophobicContact CE1-CD1 4.24Å; F132-L136 HydrophobicContact CE2-CD1 3.95Å; F132-L136 HydrophobicContact CE2-CD2 3.68Å; F132-L136 HydrophobicContact CE2-CG 3.67Å; F132-L136 HydrophobicContact CZ-CD1 3.95Å; F132-L136 HydrophobicContact CZ-CD2 4.11Å; F132-L136 HydrophobicContact CZ-CG 4.16Å; F132-L136 WeakPolarHBondContact O-CG 3.19Å; F132-L136 PolarHBondContact O-N 2.92Å; F132-I167 HydrophobicContact CD1-CB 3.92Å; F132-I167 HydrophobicContact CD1-CG2 3.79Å; F132-I167 HydrophobicContact CE1-CB 4.38Å; F132-I167 HydrophobicContact CE1-CG2 4.38Å; F132-I167 WeakPolarHBondContact CE1-O 3.26Å; F132-L169 HydrophobicContact CD1-CD1 3.3Å; F132-L169 HydrophobicContact CE1-CD1 3.44Å; F132-L169 VanDerWaalsContact CE1-CD1 3.44Å; F132-L169 HydrophobicContact CG-CD1 4.24Å; F132-L169 HydrophobicContact CZ-CD1 4.44Å |
| 133 | I | 94.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 176.4 | -78.6 | 169.3 | 0 | 0 | 0 | 110.8 | T129 K130 L136 S137 Y143 L169 | T129-I133 HydrophobicContact CG2-CD1 3.99Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å; T129-I133 PolarHBondContact O-N 3.02Å; K130-I133 PolarHBondContact O-N 2.9Å; I133-L136 PolarHBondContact O-N 3.29Å; I133-S137 WeakPolarHBondContact O-CB 3.41Å; I133-S137 PolarHBondContact O-N 2.69Å; I133-S137 PolarHBondContact O-OG 3.12Å; I133-Y143 WeakPolarHBondContact CG2-OH 3.25Å; I133-L169 HydrophobicContact CG1-CD2 4.21Å |
| 134 | E | 92.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.1 | -72.4 | 174.2 | -172.3 | 0 | 0 | 110.9 | K130 D131 F132 L136 S137 E138 | K130-E134 VanDerWaalsContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE1 3.45Å; K130-E134 WeakPolarHBondContact O-CG 3.3Å; K130-E134 PolarHBondContact O-N 2.83Å; D131-E134 PolarHBondContact O-N 3.46Å; F132-E134 VanDerWaalsContact C-N 3.27Å; F132-E134 PolarHBondContact O-N 3.24Å; E134-L136 PolarHBondContact O-N 3.1Å; E134-S137 PolarHBondContact O-N 3.41Å; E134-S137 VanDerWaalsContact O-N 3.14Å; E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 2.67Å |
| 135 | Q | 92.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 175.9 | -71.1 | 171.6 | 21.1 | 0 | 0 | 112.8 | D131 F132 S137 E138 G139 | D131-Q135 WeakPolarHBondContact O-CG 3.32Å; D131-Q135 PolarHBondContact O-N 2.75Å; D131-Q135 PolarHBondContact OD2-NE2 2.8Å; F132-Q135 PolarHBondContact O-N 3.48Å; Q135-S137 VanDerWaalsContact C-N 3.29Å; Q135-S137 PolarHBondContact O-N 3.04Å; Q135-E138 PolarHBondContact O-N 3.34Å; Q135-G139 PolarHBondContact O-N 2.8Å |
| 136 | L | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.6 | -68.9 | 179.9 | 0 | 0 | 0 | 111.7 | V17 Y111 F132 I133 E134 N140 F141 Y143 L169 | V17-L136 HydrophobicContact CG1-CD2 3.89Å; Y111-L136 HydrophobicContact CD1-CD2 4.31Å; Y111-L136 HydrophobicContact CD2-CD1 4.32Å; Y111-L136 HydrophobicContact CD2-CD2 4.11Å; Y111-L136 HydrophobicContact CG-CD2 3.87Å; F132-L136 HydrophobicContact CD2-CD1 4.26Å; F132-L136 HydrophobicContact CD2-CD2 4.4Å; F132-L136 HydrophobicContact CD2-CG 3.94Å; F132-L136 HydrophobicContact CE1-CD1 4.24Å; F132-L136 HydrophobicContact CE2-CD1 3.95Å; F132-L136 HydrophobicContact CE2-CD2 3.68Å; F132-L136 HydrophobicContact CE2-CG 3.67Å; F132-L136 HydrophobicContact CZ-CD1 3.95Å; F132-L136 HydrophobicContact CZ-CD2 4.11Å; F132-L136 HydrophobicContact CZ-CG 4.16Å; F132-L136 WeakPolarHBondContact O-CG 3.19Å; F132-L136 PolarHBondContact O-N 2.92Å; I133-L136 PolarHBondContact O-N 3.29Å; E134-L136 PolarHBondContact O-N 3.1Å; L136-N140 PolarHBondContact O-N 3.4Å; L136-F141 HydrophobicContact CB-CB 4.29Å; L136-F141 HydrophobicContact CD2-CB 4Å; L136-F141 HydrophobicContact CD2-CD2 3.97Å; L136-F141 HydrophobicContact CD2-CG 4.06Å; L136-F141 WeakPolarHBondContact O-CD2 3.14Å; L136-F141 PolarHBondContact O-N 2.87Å; L136-Y143 HydrophobicContact CB-CD1 3.82Å; L136-Y143 HydrophobicContact CB-CE1 3.63Å; L136-Y143 HydrophobicContact CD1-CD1 3.81Å; L136-Y143 HydrophobicContact CD1-CE1 4.14Å; L136-Y143 HydrophobicContact CD1-CG 4.04Å; L136-Y143 HydrophobicContact CG-CD1 4.43Å; L136-L169 HydrophobicContact CD1-CB 4.34Å; L136-L169 HydrophobicContact CD1-CD1 3.95Å |
| 137 | S | 92.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.5 | -44.4 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | I133 E134 Q135 G139 N140 | I133-S137 WeakPolarHBondContact O-CB 3.41Å; I133-S137 PolarHBondContact O-N 2.69Å; I133-S137 PolarHBondContact O-OG 3.12Å; E134-S137 PolarHBondContact O-N 3.41Å; E134-S137 VanDerWaalsContact O-N 3.14Å; Q135-S137 VanDerWaalsContact C-N 3.29Å; Q135-S137 PolarHBondContact O-N 3.04Å; S137-G139 VanDerWaalsContact C-N 3.29Å; S137-G139 PolarHBondContact O-N 2.8Å; S137-N140 PolarHBondContact O-N 3.01Å; S137-N140 VanDerWaalsContact O-N 3.1Å |
| 138 | E | 92 | Very high | 93.4 | Very high | 153 Ų | 153 | 62.2 Ų | 62.2 | 72% | 0.715 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 175.3 | -71.8 | -177.9 | 173.3 | 0 | 0 | 112 | E134 Q135 N140 | E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 2.67Å; Q135-E138 PolarHBondContact O-N 3.34Å; E138-N140 PolarHBondContact O-N 3.39Å; E138-N140 PolarHBondContact O-ND2 3.07Å |
| 139 | G | 90.6 | Very high | 93.5 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q135 S137 F141 | Q135-G139 PolarHBondContact O-N 2.8Å; S137-G139 VanDerWaalsContact C-N 3.29Å; S137-G139 PolarHBondContact O-N 2.8Å; G139-F141 VanDerWaalsContact C-N 3.26Å; G139-F141 PolarHBondContact O-N 3.27Å |
| 140 | N | 92 | Very high | 93.6 | Very high | 142 Ų | 142 | 59.2 Ų | 59.2 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.9 | -174.4 | -56.1 | -82.3 | 0 | 0 | 0 | 113.2 | L136 S137 E138 | L136-N140 PolarHBondContact O-N 3.4Å; S137-N140 PolarHBondContact O-N 3.01Å; S137-N140 VanDerWaalsContact O-N 3.1Å; E138-N140 PolarHBondContact O-N 3.39Å; E138-N140 PolarHBondContact O-ND2 3.07Å |
| 141 | F | 94 | Very high | 93.6 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | trans | -81.4 | 136.2 | 174.8 | -66 | -81.1 | 0 | 0 | 0 | 110.5 | Y12 Y111 L136 G139 Y143 | Y12-F141 AromaticContact CD1-CE1 3.98Å; Y12-F141 HydrophobicContact CD1-CE1 3.98Å; Y12-F141 AromaticContact CD1-CZ 3.94Å; Y12-F141 HydrophobicContact CD1-CZ 3.94Å; Y12-F141 AromaticContact CD2-CE1 3.8Å; Y12-F141 HydrophobicContact CD2-CE1 3.8Å; Y12-F141 AromaticContact CD2-CZ 3.85Å; Y12-F141 HydrophobicContact CD2-CZ 3.85Å; Y12-F141 AromaticContact CE1-CE1 3.96Å; Y12-F141 HydrophobicContact CE1-CE1 3.96Å; Y12-F141 HydrophobicContact CE1-CZ 4.4Å; Y12-F141 AromaticContact CE2-CE1 3.75Å; Y12-F141 HydrophobicContact CE2-CE1 3.75Å; Y12-F141 HydrophobicContact CE2-CZ 4.28Å; Y12-F141 AromaticContact CG-CE1 3.9Å; Y12-F141 HydrophobicContact CG-CE1 3.9Å; Y12-F141 AromaticContact CG-CZ 3.65Å; Y12-F141 HydrophobicContact CG-CZ 3.65Å; Y12-F141 AromaticContact CZ-CE1 3.84Å; Y111-F141 HydrophobicContact CD1-CD1 4.46Å; Y111-F141 HydrophobicContact CE1-CB 4.49Å; Y111-F141 AromaticContact CE1-CD1 3.6Å; Y111-F141 HydrophobicContact CE1-CD1 3.6Å; Y111-F141 HydrophobicContact CE1-CE1 4.14Å; Y111-F141 HydrophobicContact CE1-CG 4.29Å; Y111-F141 HydrophobicContact CE2-CB 3.98Å; Y111-F141 AromaticContact CZ-CD1 3.64Å; L136-F141 HydrophobicContact CB-CB 4.29Å; L136-F141 HydrophobicContact CD2-CB 4Å; L136-F141 HydrophobicContact CD2-CD2 3.97Å; L136-F141 HydrophobicContact CD2-CG 4.06Å; L136-F141 WeakPolarHBondContact O-CD2 3.14Å; L136-F141 PolarHBondContact O-N 2.87Å; G139-F141 VanDerWaalsContact C-N 3.26Å; G139-F141 PolarHBondContact O-N 3.27Å; F141-Y143 WeakPolarHBondContact O-CD1 3.11Å | ||
| 142 | N | 94.3 | Very high | 93.5 | Very high | 109 Ų | 109 | 50.5 Ų | 50.5 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | trans | -91.3 | 117.5 | 176.3 | -62.5 | -31.5 | 0 | 0 | 0 | 110.1 | Y111 E172 | Y111-N142 WeakPolarHBondContact CE2-O 3.26Å; N142-E172 HydrophobicContact CB-CB 4.14Å; N142-E172 PolarHBondContact O-N 3.11Å | ||
| 143 | Y | 94.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.5 | -178.2 | 64.7 | -89.3 | 0 | 0 | 0 | 111.2 | I133 L136 F141 P145 L169 K170 | I133-Y143 WeakPolarHBondContact CG2-OH 3.25Å; L136-Y143 HydrophobicContact CB-CD1 3.82Å; L136-Y143 HydrophobicContact CB-CE1 3.63Å; L136-Y143 HydrophobicContact CD1-CD1 3.81Å; L136-Y143 HydrophobicContact CD1-CE1 4.14Å; L136-Y143 HydrophobicContact CD1-CG 4.04Å; L136-Y143 HydrophobicContact CG-CD1 4.43Å; F141-Y143 WeakPolarHBondContact O-CD1 3.11Å; Y143-P145 HydrophobicContact CE2-CB 4.5Å; Y143-L169 HydrophobicContact CD2-CB 4.25Å; Y143-L169 HydrophobicContact CD2-CD2 3.44Å; Y143-L169 VanDerWaalsContact CD2-CD2 3.44Å; Y143-L169 HydrophobicContact CD2-CG 4.43Å; Y143-L169 HydrophobicContact CE2-CD2 3.65Å; Y143-L169 HydrophobicContact CG-CD2 4.4Å; Y143-K170 CarbonylContact C-O 3.49Å; Y143-K170 WeakPolarHBondContact CA-O 3.38Å; Y143-K170 WeakPolarHBondContact CB-O 3.36Å |
| 144 | L | 94.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124 | 171.6 | -60.1 | 174.1 | 0 | 0 | 0 | 109.1 | E146 K170 E172 | L144-E146 PolarHBondContact O-N 2.84Å; L144-K170 HydrophobicContact CB-CB 4.2Å; L144-K170 HydrophobicContact CD1-CB 4.12Å; L144-K170 HydrophobicContact CG-CB 4.48Å; L144-K170 PolarHBondContact N-O 3.44Å; L144-E172 HydrophobicContact CD2-CB 4.35Å; L144-E172 HydrophobicContact CD2-CG 4.12Å; L144-E172 HydrophobicContact CG-CB 4.49Å |
| 145 | P | 89 | Confident | 91.6 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -18.5 | -179.4 | 29.4 | -35.1 | 0 | 0 | 0 | 112.7 | Y143 Y148 | Y143-P145 HydrophobicContact CE2-CB 4.5Å; P145-Y148 WeakPolarHBondContact O-CD1 3.36Å |
| 146 | E | 90.9 | Very high | 90.6 | Very high | 115 Ų | 115 | 54.4 Ų | 54.4 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.5 | 178.5 | 60.9 | 179.3 | -169.7 | 0 | 0 | 112.3 | L144 | L144-E146 PolarHBondContact O-N 2.84Å |
| 147 | P | 93.9 | Very high | 89.4 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 16% | 0.156 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -67.9 | 151.8 | -18.9 | 31.2 | -34.8 | 0 | 0 | 0 | 111.4 | E65 I66 R67 Y149 | E65-P147 HydrophobicContact CG-CB 3.7Å; E65-P147 HydrophobicContact CG-CG 4.43Å; I66-P147 WeakPolarHBondContact O-CA 3.44Å; R67-P147 HydrophobicContact CG-CB 3.93Å; P147-Y149 HydrophobicContact CG-CE2 4.45Å; P147-Y149 WeakPolarHBondContact CG-OH 3.2Å |
| 148 | Y | 96 | Very high | 87.9 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 169.5 | 165 | 66.7 | -89.9 | 0 | 0 | 0 | 110.3 | I66 P68 T129 P145 W150 W168 | I66-Y148 HydrophobicContact CB-CD1 4.37Å; I66-Y148 HydrophobicContact CB-CD2 4.13Å; I66-Y148 HydrophobicContact CB-CE1 4.01Å; I66-Y148 HydrophobicContact CB-CE2 3.71Å; I66-Y148 HydrophobicContact CB-CG 4.44Å; I66-Y148 HydrophobicContact CD1-CD2 3.86Å; I66-Y148 HydrophobicContact CD1-CE2 3.7Å; I66-Y148 HydrophobicContact CG1-CD2 4.43Å; I66-Y148 HydrophobicContact CG1-CE2 3.92Å; I66-Y148 HydrophobicContact CG2-CE1 3.87Å; I66-Y148 HydrophobicContact CG2-CE2 4.06Å; I66-Y148 WeakPolarHBondContact CG2-OH 3.17Å; I66-Y148 PolarHBondContact N-O 2.93Å; I66-Y148 PolarHBondContact O-N 3.05Å; P68-Y148 HydrophobicContact CG-CD1 4.39Å; P68-Y148 HydrophobicContact CG-CE1 3.62Å; T129-Y148 HydrophobicContact CG2-CD2 4.29Å; T129-Y148 HydrophobicContact CG2-CE2 3.98Å; P145-Y148 WeakPolarHBondContact O-CD1 3.36Å; Y148-W150 AromaticContact CD2-NE1 3.89Å; Y148-W150 AromaticContact CE2-CE2 3.69Å; Y148-W150 AromaticContact CE2-CZ2 3.93Å; Y148-W150 HydrophobicContact CE2-CZ2 3.93Å; Y148-W150 AromaticContact CE2-NE1 3.42Å; Y148-W168 WeakPolarHBondContact CA-O 3.27Å; Y148-W168 WeakPolarHBondContact CB-O 3.4Å |
| 149 | Y | 97.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.3 | -171.8 | -50.8 | -94.5 | 0 | 0 | 0 | 112.2 | V63 V64 E65 W105 F108 P147 I167 W168 K170 | V63-Y149 HydrophobicContact CG1-CD1 3.98Å; V64-Y149 CarbonylContact O-C 3.6Å; V64-Y149 VanDerWaalsContact O-CA 3.24Å; V64-Y149 WeakPolarHBondContact O-CA 3.41Å; E65-Y149 HydrophobicContact CB-CD1 3.8Å; E65-Y149 HydrophobicContact CB-CE1 3.64Å; E65-Y149 HydrophobicContact CG-CD1 4.06Å; E65-Y149 HydrophobicContact CG-CE1 3.52Å; E65-Y149 VanDerWaalsContact OE2-CE1 3.28Å; E65-Y149 WeakPolarHBondContact OE2-CE1 3.31Å; E65-Y149 PolarHBondContact OE2-OH 3.49Å; E65-Y149 VanDerWaalsContact OE2-OH 3.06Å; W105-Y149 AromaticContact CH2-CD1 3.73Å; W105-Y149 HydrophobicContact CH2-CD1 3.73Å; W105-Y149 AromaticContact CH2-CE1 3.57Å; W105-Y149 HydrophobicContact CH2-CE1 3.57Å; W105-Y149 HydrophobicContact CZ2-CD1 4.13Å; W105-Y149 AromaticContact CZ2-CE1 3.57Å; W105-Y149 HydrophobicContact CZ2-CE1 3.57Å; F108-Y149 HydrophobicContact CE2-CE2 4.36Å; P147-Y149 HydrophobicContact CG-CE2 4.45Å; P147-Y149 WeakPolarHBondContact CG-OH 3.2Å; Y149-I167 WeakPolarHBondContact O-CA 3.35Å; Y149-W168 HydrophobicContact CD2-CB 4.32Å; Y149-W168 PolarHBondContact N-O 3.23Å; Y149-W168 PolarHBondContact O-N 3.46Å; Y149-K170 HydrophobicContact CE2-CD 4.42Å; Y149-K170 HydrophobicContact CE2-CG 4.22Å; Y149-K170 WeakPolarHBondContact OH-CE 3.43Å; Y149-K170 PolarHBondContact OH-NZ 3.06Å |
| 150 | W | 96.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.8 | 165.3 | -63.2 | -25.5 | 0 | 0 | 0 | 110.1 | F37 V63 V64 I66 F78 Q122 F125 M126 T129 Y148 | F37-W150 HydrophobicContact CD2-CE3 4.41Å; F37-W150 AromaticContact CD2-CZ3 3.94Å; F37-W150 HydrophobicContact CD2-CZ3 3.94Å; F37-W150 AromaticContact CE2-CE3 3.78Å; F37-W150 HydrophobicContact CE2-CE3 3.78Å; F37-W150 AromaticContact CE2-CZ3 3.73Å; F37-W150 HydrophobicContact CE2-CZ3 3.73Å; F37-W150 HydrophobicContact CZ-CE3 4.25Å; F37-W150 HydrophobicContact CZ-CZ3 4.24Å; V63-W150 CarbonylContact C-O 3.52Å; V63-W150 WeakPolarHBondContact CA-O 3.24Å; V64-W150 HydrophobicContact CB-CB 4.32Å; V64-W150 PolarHBondContact N-O 2.67Å; V64-W150 PolarHBondContact O-N 2.88Å; I66-W150 HydrophobicContact CD1-CB 4.04Å; I66-W150 HydrophobicContact CD1-CD2 3.48Å; I66-W150 VanDerWaalsContact CD1-CD2 3.48Å; I66-W150 HydrophobicContact CD1-CE3 3.9Å; I66-W150 HydrophobicContact CD1-CG 3.56Å; I66-W150 HydrophobicContact CG1-CD2 4.14Å; I66-W150 HydrophobicContact CG1-CE3 4.18Å; I66-W150 HydrophobicContact CG1-CZ3 4.41Å; F78-W150 HydrophobicContact CE1-CH2 4.42Å; F78-W150 HydrophobicContact CE1-CZ3 4.08Å; Q122-W150 HydrophobicContact CG-CH2 4.1Å; Q122-W150 HydrophobicContact CG-CZ3 4.35Å; F125-W150 HydrophobicContact CB-CD2 3.59Å; F125-W150 VanDerWaalsContact CB-CE2 3.41Å; F125-W150 HydrophobicContact CB-CE3 3.72Å; F125-W150 HydrophobicContact CB-CG 4.32Å; F125-W150 HydrophobicContact CB-CH2 3.55Å; F125-W150 HydrophobicContact CB-CZ2 3.41Å; F125-W150 VanDerWaalsContact CB-CZ2 3.41Å; F125-W150 HydrophobicContact CB-CZ3 3.7Å; F125-W150 HydrophobicContact CD1-CB 3.77Å; F125-W150 AromaticContact CD1-CD1 3.84Å; F125-W150 AromaticContact CD1-CD2 3.56Å; F125-W150 HydrophobicContact CD1-CD2 3.56Å; F125-W150 AromaticContact CD1-CE3 3.95Å; F125-W150 HydrophobicContact CD1-CE3 3.95Å; F125-W150 AromaticContact CD1-CG 3.45Å; F125-W150 HydrophobicContact CD1-CG 3.45Å; F125-W150 VanDerWaalsContact CD1-CG 3.45Å; F125-W150 HydrophobicContact CD2-CD2 4.42Å; F125-W150 AromaticContact CD2-CE3 4Å; F125-W150 HydrophobicContact CD2-CE3 4Å; F125-W150 HydrophobicContact CD2-CZ3 4.24Å; F125-W150 HydrophobicContact CE1-CB 3.72Å; F125-W150 HydrophobicContact CE1-CD2 4.32Å; F125-W150 AromaticContact CE1-CG 3.96Å; F125-W150 HydrophobicContact CE1-CG 3.96Å; F125-W150 AromaticContact CG-CD2 3.63Å; F125-W150 HydrophobicContact CG-CD2 3.63Å; F125-W150 AromaticContact CG-CE2 3.99Å; F125-W150 AromaticContact CG-CE3 3.65Å; F125-W150 HydrophobicContact CG-CE3 3.65Å; F125-W150 HydrophobicContact CG-CG 4.07Å; F125-W150 HydrophobicContact CG-CH2 4.37Å; F125-W150 HydrophobicContact CG-CZ2 4.36Å; F125-W150 HydrophobicContact CG-CZ3 4.03Å; M126-W150 HydrophobicContact CG-CH2 4.09Å; M126-W150 HydrophobicContact CG-CZ2 4.23Å; M126-W150 HydrophobicContact SD-CH2 3.95Å; M126-W150 HydrophobicContact SD-CZ2 3.8Å; T129-W150 PolarHBondContact OG1-NE1 2.81Å; Y148-W150 AromaticContact CD2-NE1 3.89Å; Y148-W150 AromaticContact CE2-CE2 3.69Å; Y148-W150 AromaticContact CE2-CZ2 3.93Å; Y148-W150 HydrophobicContact CE2-CZ2 3.93Å; Y148-W150 AromaticContact CE2-NE1 3.42Å |
| 151 | I | 94.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.8 | -175.8 | -60.9 | 62.2 | 0 | 0 | 0 | 106.4 | P61 T62 V63 Y153 A165 E166 W168 | P61-I151 HydrophobicContact CB-CG2 3.62Å; P61-I151 HydrophobicContact CG-CG2 3.75Å; T62-I151 CarbonylContact O-C 3.53Å; T62-I151 WeakPolarHBondContact O-CA 3.35Å; V63-I151 HydrophobicContact CG2-CG1 4.3Å; I151-Y153 HydrophobicContact CB-CE2 4.31Å; I151-Y153 HydrophobicContact CG2-CD2 4.18Å; I151-Y153 HydrophobicContact CG2-CE1 4.33Å; I151-Y153 HydrophobicContact CG2-CE2 3.53Å; I151-A165 CarbonylContact O-C 3.56Å; I151-A165 WeakPolarHBondContact O-CA 3.47Å; I151-E166 HydrophobicContact CB-CB 4.1Å; I151-E166 PolarHBondContact N-O 3.39Å; I151-E166 PolarHBondContact O-N 3.43Å; I151-W168 HydrophobicContact CD1-CB 4.12Å; I151-W168 HydrophobicContact CD1-CD2 3.45Å; I151-W168 VanDerWaalsContact CD1-CD2 3.45Å; I151-W168 HydrophobicContact CD1-CE3 4.01Å; I151-W168 HydrophobicContact CD1-CG 3.48Å; I151-W168 VanDerWaalsContact CD1-CG 3.48Å; I151-W168 HydrophobicContact CD1-CZ2 4.25Å; I151-W168 HydrophobicContact CG1-CD2 3.9Å; I151-W168 HydrophobicContact CG1-CE3 4.35Å; I151-W168 HydrophobicContact CG1-CG 4.35Å; I151-W168 HydrophobicContact CG1-CH2 4.19Å; I151-W168 HydrophobicContact CG1-CZ2 3.72Å; I151-W168 HydrophobicContact CG1-CZ3 4.48Å |
| 152 | I | 92.3 | Very high | 81.7 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111.8 | -174.4 | -43.4 | -174 | 0 | 0 | 0 | 107.3 | M41 P61 T62 V64 L117 I120 F125 | M41-I152 HydrophobicContact CE-CD1 3.82Å; P61-I152 CarbonylContact C-O 3.59Å; P61-I152 VanDerWaalsContact CA-O 3.27Å; P61-I152 WeakPolarHBondContact CA-O 3.25Å; P61-I152 WeakPolarHBondContact CB-O 3.47Å; T62-I152 PolarHBondContact N-O 2.9Å; T62-I152 PolarHBondContact O-N 3.27Å; V64-I152 HydrophobicContact CG2-CD1 4.33Å; L117-I152 HydrophobicContact CD1-CG2 4.4Å; I120-I152 HydrophobicContact CD1-CG2 3.94Å; I120-I152 HydrophobicContact CG1-CG2 4.19Å; I120-I152 HydrophobicContact CG2-CD1 3.99Å; F125-I152 HydrophobicContact CE1-CG1 4.32Å; F125-I152 HydrophobicContact CE2-CD1 4.19Å; F125-I152 HydrophobicContact CZ-CD1 3.68Å; F125-I152 HydrophobicContact CZ-CG1 3.73Å |
| 153 | Y | 87.8 | Confident | 81 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | trans | -88 | 143.4 | 176.6 | -62.2 | -92.5 | 0 | 0 | 0 | 110 | P61 I151 P155 T158 N164 E166 | P61-Y153 HydrophobicContact CB-CD1 3.67Å; P61-Y153 HydrophobicContact CB-CE1 3.83Å; P61-Y153 HydrophobicContact CB-CG 4.06Å; P61-Y153 HydrophobicContact CG-CD1 4.04Å; P61-Y153 HydrophobicContact CG-CE1 3.72Å; I151-Y153 HydrophobicContact CB-CE2 4.31Å; I151-Y153 HydrophobicContact CG2-CD2 4.18Å; I151-Y153 HydrophobicContact CG2-CE1 4.33Å; I151-Y153 HydrophobicContact CG2-CE2 3.53Å; Y153-P155 WeakPolarHBondContact O-CD 3.43Å; Y153-T158 HydrophobicContact CD1-CG2 4.28Å; Y153-T158 HydrophobicContact CG-CG2 3.92Å; Y153-N164 WeakPolarHBondContact CB-O 3.33Å; Y153-N164 WeakPolarHBondContact CD2-O 3.31Å; Y153-N164 PolarHBondContact N-O 3.36Å; Y153-E166 HydrophobicContact CE2-CB 4.38Å; Y153-E166 HydrophobicContact CE2-CG 3.86Å; Y153-E166 VanDerWaalsContact OH-CD 3.22Å; Y153-E166 PolarHBondContact OH-OE1 2.87Å; Y153-E166 PolarHBondContact OH-OE2 2.57Å; Y153-E166 VanDerWaalsContact OH-OE2 3.09Å | ||
| 154 | D | 79.4 | Confident | 80.7 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | trans | -62.9 | 122.5 | 168.1 | -173.6 | -32.3 | 0 | 0 | 0 | 108.8 | S156 L157 T158 | D154-S156 PolarHBondContact O-N 3.34Å; D154-S156 VanDerWaalsContact O-N 3.12Å; D154-S156 VanDerWaalsContact OD1-CB 3.25Å; D154-S156 WeakPolarHBondContact OD1-CB 3.45Å; D154-S156 PolarHBondContact OD1-N 2.64Å; D154-S156 PolarHBondContact OD1-OG 3.18Å; D154-S156 PolarHBondContact OD2-OG 2.99Å; D154-L157 HydrophobicContact CB-CB 4.18Å; D154-L157 HydrophobicContact CB-CD1 3.8Å; D154-L157 HydrophobicContact CB-CG 3.85Å; D154-L157 PolarHBondContact O-N 2.86Å; D154-T158 PolarHBondContact O-N 3.19Å | ||
| 155 | P | 74 | Confident | 80.7 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 61% | 0.61 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.7 | 178.1 | -24.7 | 33.9 | 0 | 0 | 0 | 113.3 | Y153 L157 T158 | Y153-P155 WeakPolarHBondContact O-CD 3.43Å; P155-L157 PolarHBondContact O-N 3.28Å; P155-T158 PolarHBondContact O-OG1 2.98Å |
| 156 | S | 73 | Confident | 80.9 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.7 | 176.8 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | D154 | D154-S156 PolarHBondContact O-N 3.34Å; D154-S156 VanDerWaalsContact O-N 3.12Å; D154-S156 VanDerWaalsContact OD1-CB 3.25Å; D154-S156 WeakPolarHBondContact OD1-CB 3.45Å; D154-S156 PolarHBondContact OD1-N 2.64Å; D154-S156 PolarHBondContact OD1-OG 3.18Å; D154-S156 PolarHBondContact OD2-OG 2.99Å |
| 157 | L | 67 | Low | 81.1 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -13.4 | -178.5 | -59.6 | 179.8 | 0 | 0 | 0 | 113.3 | K59 D154 P155 | K59-L157 HydrophobicContact CB-CD1 4.04Å; K59-L157 HydrophobicContact CG-CD1 4.36Å; K59-L157 WeakPolarHBondContact O-CD1 3.15Å; D154-L157 HydrophobicContact CB-CB 4.18Å; D154-L157 HydrophobicContact CB-CD1 3.8Å; D154-L157 HydrophobicContact CB-CG 3.85Å; D154-L157 PolarHBondContact O-N 2.86Å; P155-L157 PolarHBondContact O-N 3.28Å |
| 158 | T | 62.5 | Low | 81.3 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | trans | -97.6 | 108.2 | 176.2 | 51 | 0 | 0 | 0 | 0 | 110.9 | Y153 D154 P155 N160 | Y153-T158 HydrophobicContact CD1-CG2 4.28Å; Y153-T158 HydrophobicContact CG-CG2 3.92Å; D154-T158 PolarHBondContact O-N 3.19Å; P155-T158 PolarHBondContact O-OG1 2.98Å; T158-N160 VanDerWaalsContact C-N 3.32Å | ||
| 159 | T | 55.8 | Low | 81.4 | Confident | 124 Ų | 124 | 43 Ų | 43 | 76% | 0.761 | 24% | 0.241 | S | C | * | . | trans | -87.2 | -3.1 | 174.8 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 160 | N | 53.8 | Low | 81.3 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 51% | 0.508 | 25% | 0.25 | S | S | . | . | trans | -107.2 | 129.2 | -163.3 | -58 | 6.3 | 0 | 0 | 0 | 109.6 | T158 D162 | T158-N160 VanDerWaalsContact C-N 3.32Å; N160-D162 PolarHBondContact O-N 3.22Å | ||
| 161 | E | 58.4 | Low | 81.3 | Confident | 193 Ų | 193 | 46.6 Ų | 46.6 | 90% | 0.902 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.5 | 178.4 | -64 | -178 | 160.1 | 0 | 0 | 113.1 | G163 | E161-G163 PolarHBondContact O-N 2.8Å; E161-G163 VanDerWaalsContact O-N 3.17Å |
| 162 | D | 69.5 | Low | 81.1 | Confident | 118 Ų | 118 | 55 Ų | 55 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.9 | -174.8 | -61.4 | -29.6 | 0 | 0 | 0 | 115.4 | R114 N160 | R114-D162 WeakPolarHBondContact CG-O 3.19Å; N160-D162 PolarHBondContact O-N 3.22Å |
| 163 | G | 81.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | trans | 124.8 | 155.7 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | R114 F115 E161 | R114-G163 PolarHBondContact NE-O 2.88Å; R114-G163 PolarHBondContact NH2-O 3.49Å; F115-G163 CarbonylContact O-C 3.56Å; F115-G163 VanDerWaalsContact O-CA 3.25Å; F115-G163 WeakPolarHBondContact O-CA 3.48Å; E161-G163 PolarHBondContact O-N 2.8Å; E161-G163 VanDerWaalsContact O-N 3.17Å | ||
| 164 | N | 88.6 | Confident | 80.2 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -105.8 | 8.9 | -178.3 | 60.7 | -1.3 | 0 | 0 | 0 | 112.6 | F115 L117 Y153 | F115-N164 PolarHBondContact O-N 2.71Å; L117-N164 WeakPolarHBondContact CB-OD1 3.2Å; L117-N164 PolarHBondContact N-OD1 2.9Å; L117-N164 PolarHBondContact O-ND2 2.77Å; Y153-N164 WeakPolarHBondContact CB-O 3.33Å; Y153-N164 WeakPolarHBondContact CD2-O 3.31Å; Y153-N164 PolarHBondContact N-O 3.36Å |
| 165 | A | 92.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 153.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R114 F115 L117 F125 I151 | R114-A165 WeakPolarHBondContact CA-O 3.5Å; R114-A165 WeakPolarHBondContact CG-O 3.32Å; F115-A165 HydrophobicContact CD1-CB 4.04Å; F115-A165 HydrophobicContact CD2-CB 4.5Å; F115-A165 HydrophobicContact CE1-CB 3.51Å; F115-A165 HydrophobicContact CE2-CB 4.08Å; F115-A165 HydrophobicContact CG-CB 4.5Å; F115-A165 HydrophobicContact CZ-CB 3.56Å; F115-A165 PolarHBondContact N-O 3Å; F115-A165 PolarHBondContact O-N 3.39Å; F115-A165 VanDerWaalsContact O-N 3.15Å; L117-A165 HydrophobicContact CD1-CB 3.34Å; L117-A165 HydrophobicContact CG-CB 3.54Å; F125-A165 HydrophobicContact CE1-CB 4.36Å; I151-A165 CarbonylContact O-C 3.56Å; I151-A165 WeakPolarHBondContact O-CA 3.47Å |
| 166 | E | 94.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.9 | 173.5 | -66.5 | 173.4 | -177.9 | 0 | 0 | 112.2 | Y6 I112 K113 R114 I151 Y153 W168 | Y6-E166 WeakPolarHBondContact CE1-OE2 3.45Å; Y6-E166 PolarHBondContact OH-OE1 3.38Å; Y6-E166 VanDerWaalsContact OH-OE1 3.1Å; I112-E166 HydrophobicContact CG2-CB 4.17Å; I112-E166 HydrophobicContact CG2-CG 4.06Å; K113-E166 CarbonylContact O-C 3.53Å; K113-E166 WeakPolarHBondContact O-CA 3.29Å; R114-E166 HydrophobicContact CB-CG 3.96Å; R114-E166 HydrophobicContact CG-CG 3.76Å; R114-E166 IonicContact CZ-OE1 3.5Å; R114-E166 IonicContact NE-OE1 2.67Å; R114-E166 IonicContact NH1-OE1 3.66Å; R114-E166 PolarHBondContact NH1-OE1 3.16Å; I151-E166 HydrophobicContact CB-CB 4.1Å; I151-E166 PolarHBondContact N-O 3.39Å; I151-E166 PolarHBondContact O-N 3.43Å; Y153-E166 HydrophobicContact CE2-CB 4.38Å; Y153-E166 HydrophobicContact CE2-CG 3.86Å; Y153-E166 VanDerWaalsContact OH-CD 3.22Å; Y153-E166 PolarHBondContact OH-OE1 2.87Å; Y153-E166 PolarHBondContact OH-OE2 2.57Å; Y153-E166 VanDerWaalsContact OH-OE2 3.09Å; E166-W168 PolarHBondContact OE2-NE1 3.41Å |
| 167 | I | 95.8 | Very high | 81 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.7 | 171.5 | -51.1 | 178.6 | 0 | 0 | 0 | 107.3 | I112 K113 F115 E128 T129 F132 Y149 L169 | I112-I167 WeakPolarHBondContact CA-O 3.33Å; K113-I167 PolarHBondContact N-O 3.37Å; K113-I167 PolarHBondContact O-N 2.83Å; F115-I167 HydrophobicContact CD1-CD1 4.26Å; F115-I167 HydrophobicContact CD1-CG1 4.02Å; F115-I167 HydrophobicContact CE1-CD1 3.88Å; F115-I167 HydrophobicContact CE1-CG1 3.47Å; F115-I167 VanDerWaalsContact CE1-CG1 3.47Å; F115-I167 HydrophobicContact CZ-CD1 4.4Å; F115-I167 HydrophobicContact CZ-CG1 4.26Å; E128-I167 HydrophobicContact CB-CD1 3.72Å; E128-I167 WeakPolarHBondContact O-CD1 3.28Å; T129-I167 HydrophobicContact CG2-CG2 4.34Å; T129-I167 VanDerWaalsContact N-CD1 3.3Å; F132-I167 HydrophobicContact CD1-CB 3.92Å; F132-I167 HydrophobicContact CD1-CG2 3.79Å; F132-I167 HydrophobicContact CE1-CB 4.38Å; F132-I167 HydrophobicContact CE1-CG2 4.38Å; F132-I167 WeakPolarHBondContact CE1-O 3.26Å; Y149-I167 WeakPolarHBondContact O-CA 3.35Å; I167-L169 HydrophobicContact CG2-CD1 4.15Å |
| 168 | W | 97.3 | Very high | 82 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.1 | 176.9 | -58.4 | -2.4 | 0 | 0 | 0 | 111.1 | L5 Y6 V22 W105 V110 Y111 I112 Y148 Y149 I151 E166 | L5-W168 HydrophobicContact CB-CH2 3.61Å; L5-W168 HydrophobicContact CB-CZ2 4.24Å; L5-W168 HydrophobicContact CD1-CH2 3.63Å; L5-W168 HydrophobicContact CD1-CZ2 4.21Å; L5-W168 HydrophobicContact CG-CH2 4.29Å; Y6-W168 HydrophobicContact CD1-CH2 4.03Å; Y6-W168 AromaticContact CD1-CZ2 3.45Å; Y6-W168 HydrophobicContact CD1-CZ2 3.45Å; Y6-W168 VanDerWaalsContact CD1-CZ2 3.45Å; Y6-W168 AromaticContact CE1-CZ2 3.79Å; Y6-W168 HydrophobicContact CE1-CZ2 3.79Å; V22-W168 HydrophobicContact CB-CZ3 4.38Å; V22-W168 HydrophobicContact CG1-CZ3 4Å; V22-W168 HydrophobicContact CG2-CE3 3.73Å; V22-W168 HydrophobicContact CG2-CH2 4.11Å; V22-W168 HydrophobicContact CG2-CZ3 3.42Å; V22-W168 VanDerWaalsContact CG2-CZ3 3.42Å; W105-W168 HydrophobicContact CZ3-CZ3 4.36Å; V110-W168 HydrophobicContact CB-CB 4.02Å; V110-W168 HydrophobicContact CB-CG 4.42Å; V110-W168 HydrophobicContact CG1-CB 4.1Å; V110-W168 HydrophobicContact CG1-CE3 4.38Å; V110-W168 HydrophobicContact CG2-CB 4.24Å; V110-W168 HydrophobicContact CG2-CD2 4.07Å; V110-W168 HydrophobicContact CG2-CE3 4.25Å; V110-W168 HydrophobicContact CG2-CG 4.09Å; Y111-W168 VanDerWaalsContact O-CA 3.27Å; Y111-W168 WeakPolarHBondContact O-CA 3.31Å; I112-W168 HydrophobicContact CG1-CG 4.34Å; Y148-W168 WeakPolarHBondContact CA-O 3.27Å; Y148-W168 WeakPolarHBondContact CB-O 3.4Å; Y149-W168 HydrophobicContact CD2-CB 4.32Å; Y149-W168 PolarHBondContact N-O 3.23Å; Y149-W168 PolarHBondContact O-N 3.46Å; I151-W168 HydrophobicContact CD1-CB 4.12Å; I151-W168 HydrophobicContact CD1-CD2 3.45Å; I151-W168 VanDerWaalsContact CD1-CD2 3.45Å; I151-W168 HydrophobicContact CD1-CE3 4.01Å; I151-W168 HydrophobicContact CD1-CG 3.48Å; I151-W168 VanDerWaalsContact CD1-CG 3.48Å; I151-W168 HydrophobicContact CD1-CZ2 4.25Å; I151-W168 HydrophobicContact CG1-CD2 3.9Å; I151-W168 HydrophobicContact CG1-CE3 4.35Å; I151-W168 HydrophobicContact CG1-CG 4.35Å; I151-W168 HydrophobicContact CG1-CH2 4.19Å; I151-W168 HydrophobicContact CG1-CZ2 3.72Å; I151-W168 HydrophobicContact CG1-CZ3 4.48Å; E166-W168 PolarHBondContact OE2-NE1 3.41Å |
| 169 | L | 97.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.2 | 166.4 | -72.4 | 108.1 | 0 | 0 | 0 | 109.1 | V110 Y111 F132 I133 L136 Y143 I167 | V110-L169 CarbonylContact C-O 3.52Å; V110-L169 WeakPolarHBondContact CA-O 3.33Å; V110-L169 WeakPolarHBondContact CB-O 3.12Å; Y111-L169 PolarHBondContact N-O 3.34Å; Y111-L169 PolarHBondContact O-N 3.06Å; F132-L169 HydrophobicContact CD1-CD1 3.3Å; F132-L169 HydrophobicContact CE1-CD1 3.44Å; F132-L169 VanDerWaalsContact CE1-CD1 3.44Å; F132-L169 HydrophobicContact CG-CD1 4.24Å; F132-L169 HydrophobicContact CZ-CD1 4.44Å; I133-L169 HydrophobicContact CG1-CD2 4.21Å; L136-L169 HydrophobicContact CD1-CB 4.34Å; L136-L169 HydrophobicContact CD1-CD1 3.95Å; Y143-L169 HydrophobicContact CD2-CB 4.25Å; Y143-L169 HydrophobicContact CD2-CD2 3.44Å; Y143-L169 VanDerWaalsContact CD2-CD2 3.44Å; Y143-L169 HydrophobicContact CD2-CG 4.43Å; Y143-L169 HydrophobicContact CE2-CD2 3.65Å; Y143-L169 HydrophobicContact CG-CD2 4.4Å; I167-L169 HydrophobicContact CG2-CD1 4.15Å |
| 170 | K | 96.8 | Very high | 85.5 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 140.6 | 179.5 | -73.5 | -178.8 | 177.3 | 169.5 | 0 | 110.3 | F108 V110 Y143 L144 Y149 | F108-K170 HydrophobicContact CD2-CD 4.32Å; F108-K170 HydrophobicContact CD2-CG 3.98Å; F108-K170 HydrophobicContact CE2-CG 4.2Å; V110-K170 HydrophobicContact CG1-CG 4.29Å; Y143-K170 CarbonylContact C-O 3.49Å; Y143-K170 WeakPolarHBondContact CA-O 3.38Å; Y143-K170 WeakPolarHBondContact CB-O 3.36Å; L144-K170 HydrophobicContact CB-CB 4.2Å; L144-K170 HydrophobicContact CD1-CB 4.12Å; L144-K170 HydrophobicContact CG-CB 4.48Å; L144-K170 PolarHBondContact N-O 3.44Å; Y149-K170 HydrophobicContact CE2-CD 4.42Å; Y149-K170 HydrophobicContact CE2-CG 4.22Å; Y149-K170 WeakPolarHBondContact OH-CE 3.43Å; Y149-K170 PolarHBondContact OH-NZ 3.06Å |
| 171 | V | 95.7 | Very high | 88.1 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.7 | 169.4 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | K19 S109 Y111 | K19-V171 HydrophobicContact CG-CG2 4.43Å; S109-V171 PolarHBondContact O-N 2.76Å; Y111-V171 HydrophobicContact CD2-CG2 3.99Å; Y111-V171 HydrophobicContact CE1-CG2 4.41Å; Y111-V171 HydrophobicContact CE2-CB 4.39Å; Y111-V171 HydrophobicContact CE2-CG1 4.35Å; Y111-V171 HydrophobicContact CE2-CG2 3.78Å; Y111-V171 HydrophobicContact CG-CG2 4.39Å |
| 172 | E | 90.4 | Very high | 90.8 | Very high | 177 Ų | 177 | 36.3 Ų | 36.3 | 83% | 0.827 | 18% | 0.181 | S | C | * | . | trans | -71.3 | 0 | 174.6 | -170.5 | 177.4 | -161.9 | 0 | 0 | 112.7 | N142 L144 | N142-E172 HydrophobicContact CB-CB 4.14Å; N142-E172 PolarHBondContact O-N 3.11Å; L144-E172 HydrophobicContact CD2-CB 4.35Å; L144-E172 HydrophobicContact CD2-CG 4.12Å; L144-E172 HydrophobicContact CG-CB 4.49Å |
Retrieved 172 of 172 residues in 37.4 ms
(Link to these results)