| 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 | K | 95.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 85.1 Ų | 85.1 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | 0 | 133 | 0 | -173.2 | -177.8 | -178.9 | -159.2 | 0 | 110 | E3 H17 R18 I20 | K1-E3 HydrophobicContact CD-CG 4.26Å; K1-E3 VanDerWaalsContact CD-OE1 3.28Å; K1-E3 WeakPolarHBondContact CD-OE1 3.16Å; K1-E3 WeakPolarHBondContact CE-OE1 3.34Å; K1-E3 HydrophobicContact CG-CG 4.23Å; K1-E3 IonicContact NZ-OE1 3.6Å; K1-E3 PolarHBondContact NZ-OE1 3.5Å; K1-H17 WeakPolarHBondContact O-CA 3.43Å; K1-R18 HydrophobicContact CB-CB 4.48Å; K1-R18 PolarHBondContact N-O 3.02Å; K1-R18 PolarHBondContact O-N 2.88Å; K1-I20 HydrophobicContact CB-CD1 4.33Å | |||
| 2 | Y | 97.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 90.4 Ų | 90.4 | 45% | 0.447 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.9 | 178.3 | -59.5 | -72.8 | 0 | 0 | 0 | 110.2 | F15 L16 H17 R60 | Y2-F15 HydrophobicContact CD1-CE2 4.08Å; Y2-F15 AromaticContact CD1-CZ 3.75Å; Y2-F15 HydrophobicContact CD1-CZ 3.75Å; Y2-F15 HydrophobicContact CE1-CZ 4.36Å; Y2-L16 CarbonylContact C-O 3.56Å; Y2-L16 WeakPolarHBondContact CA-O 3.41Å; Y2-H17 HydrophobicContact CD1-CB 3.83Å; Y2-H17 AromaticContact CD1-CD2 3.62Å; Y2-H17 AromaticContact CD1-CG 3.74Å; Y2-H17 HydrophobicContact CE1-CB 3.83Å; Y2-H17 AromaticContact CE1-CD2 3.18Å; Y2-H17 WeakPolarHBondContact CE1-CD2 3.42Å; Y2-H17 AromaticContact CE1-CE1 3.78Å; Y2-H17 AromaticContact CE1-CG 3.28Å; Y2-H17 AromaticContact CE1-ND1 3.64Å; Y2-H17 AromaticContact CE1-NE2 3.5Å; Y2-H17 WeakPolarHBondContact CE1-NE2 3.5Å; Y2-H17 AromaticContact CZ-CD2 3.77Å; Y2-H17 AromaticContact CZ-NE2 3.62Å; Y2-R60 PolarHBondContact OH-NH2 3.38Å |
| 3 | E | 98 | Very high | 96.6 | Very high | 33 Ų | 33 | 84.2 Ų | 84.2 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.6 | -178.1 | -53 | 177.3 | -173.1 | 0 | 0 | 110.2 | K1 H5 L16 R18 | K1-E3 HydrophobicContact CD-CG 4.26Å; K1-E3 VanDerWaalsContact CD-OE1 3.28Å; K1-E3 WeakPolarHBondContact CD-OE1 3.16Å; K1-E3 WeakPolarHBondContact CE-OE1 3.34Å; K1-E3 HydrophobicContact CG-CG 4.23Å; K1-E3 IonicContact NZ-OE1 3.6Å; K1-E3 PolarHBondContact NZ-OE1 3.5Å; E3-H5 IonicContact OE2-CE1 3.09Å; E3-H5 IonicContact OE2-NE2 2.64Å; E3-H5 PolarHBondContact OE2-NE2 3.11Å; E3-L16 HydrophobicContact CB-CB 4.27Å; E3-L16 PolarHBondContact N-O 2.93Å; E3-L16 PolarHBondContact O-N 3.49Å; E3-R18 IonicContact OE1-NH1 2.64Å; E3-R18 PolarHBondContact OE1-NH1 3.23Å |
| 4 | C | 98.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 83.4 Ų | 83.4 | 25% | 0.25 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.4 | 172.7 | -63.3 | 0 | 0 | 0 | 0 | 108.3 | F6 C68 | C4-F6 HydrophobicContact CB-CD2 4.32Å; C4-F6 HydrophobicContact CB-CE2 3.44Å; C4-F6 VanDerWaalsContact CB-CE2 3.44Å; C4-F6 HydrophobicContact CB-CZ 3.56Å; C4-C68 HydrophobicContact CB-CB 3.66Å; C4-C68 WeakPolarHBondContact CB-SG 3.4Å; C4-C68 WeakPolarHBondContact SG-CA 3.3Å; C4-C68 WeakPolarHBondContact SG-CB 3.45Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 3.31Å |
| 5 | H | 98 | Very high | 96.9 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 32% | 0.324 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.6 | 178.7 | -65.3 | -99.2 | 0 | 0 | 0 | 108.7 | E3 F7 V13 R14 | E3-H5 IonicContact OE2-CE1 3.09Å; E3-H5 IonicContact OE2-NE2 2.64Å; E3-H5 PolarHBondContact OE2-NE2 3.11Å; H5-F7 HydrophobicContact CB-CE2 3.95Å; H5-F7 HydrophobicContact CB-CZ 4.14Å; H5-V13 WeakPolarHBondContact O-CA 3.4Å; H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 3.33Å; H5-R14 PolarHBondContact O-N 3.5Å |
| 6 | F | 97.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 73.8 Ų | 73.8 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.1 | -173.6 | -63.1 | -82.5 | 0 | 0 | 0 | 110 | C4 G9 T10 V13 C68 Y72 | C4-F6 HydrophobicContact CB-CD2 4.32Å; C4-F6 HydrophobicContact CB-CE2 3.44Å; C4-F6 VanDerWaalsContact CB-CE2 3.44Å; C4-F6 HydrophobicContact CB-CZ 3.56Å; F6-G9 WeakPolarHBondContact CB-O 3.27Å; F6-T10 HydrophobicContact CD1-CG2 4.37Å; F6-V13 HydrophobicContact CD1-CG1 4.1Å; F6-V13 HydrophobicContact CD1-CG2 3.8Å; F6-V13 HydrophobicContact CE1-CG1 3.9Å; F6-V13 HydrophobicContact CE1-CG2 4.09Å; F6-C68 HydrophobicContact CE1-CB 4.18Å; F6-C68 HydrophobicContact CZ-CB 4.01Å; F6-C68 WeakPolarHBondContact CZ-O 3.39Å; F6-Y72 HydrophobicContact CB-CE2 4.47Å; F6-Y72 AromaticContact CD1-CD2 3.55Å; F6-Y72 HydrophobicContact CD1-CD2 3.55Å; F6-Y72 HydrophobicContact CD1-CE2 4.13Å; F6-Y72 HydrophobicContact CD1-CG 4.24Å; F6-Y72 HydrophobicContact CD2-CD2 4.08Å; F6-Y72 AromaticContact CE1-CD2 3.57Å; F6-Y72 HydrophobicContact CE1-CD2 3.57Å; F6-Y72 AromaticContact CE1-CG 3.92Å; F6-Y72 HydrophobicContact CE1-CG 3.92Å; F6-Y72 HydrophobicContact CE2-CD2 4.08Å; F6-Y72 AromaticContact CG-CD2 3.82Å; F6-Y72 HydrophobicContact CG-CD2 3.82Å; F6-Y72 HydrophobicContact CG-CE2 4.15Å; F6-Y72 AromaticContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å |
| 7 | F | 96.4 | Very high | 97 | Very high | 101 Ų | 101 | 70 Ų | 70 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | 177.3 | -53.7 | -86.4 | 0 | 0 | 0 | 109 | H5 R12 | H5-F7 HydrophobicContact CB-CE2 3.95Å; H5-F7 HydrophobicContact CB-CZ 4.14Å; F7-R12 HydrophobicContact CB-CB 4.26Å; F7-R12 HydrophobicContact CD2-CB 4.48Å; F7-R12 HydrophobicContact CD2-CG 4.23Å; F7-R12 PolarHBondContact N-O 2.9Å; F7-R12 PolarHBondContact O-N 2.97Å |
| 8 | N | 94.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 69.5 Ų | 69.5 | 75% | 0.754 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 54.9 | -174.6 | -61.2 | -17.9 | 0 | 0 | 0 | 112.2 | T10 E11 | N8-T10 PolarHBondContact O-N 2.96Å; N8-E11 HydrophobicContact CB-CB 4.49Å |
| 9 | G | 92.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -123.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111 | F6 | F6-G9 WeakPolarHBondContact CB-O 3.27Š|
| 10 | T | 96.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 68.8 Ų | 68.8 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 10.2 | -177.3 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | F6 N8 R69 Y72 | F6-T10 HydrophobicContact CD1-CG2 4.37Å; N8-T10 PolarHBondContact O-N 2.96Å; T10-R69 HydrophobicContact CG2-CG 4.48Å; T10-R69 PolarHBondContact O-NE 3.45Å; T10-Y72 HydrophobicContact CG2-CD1 3.36Å; T10-Y72 HydrophobicContact CG2-CD2 4.12Å; T10-Y72 HydrophobicContact CG2-CE1 3.7Å; T10-Y72 HydrophobicContact CG2-CE2 4.38Å; T10-Y72 HydrophobicContact CG2-CG 3.6Å |
| 11 | E | 95.2 | Very high | 97 | Very high | 150 Ų | 150 | 72 Ų | 72 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -56.3 | 179 | -175.3 | -177.1 | -178.2 | 0 | 0 | 110.6 | N8 | N8-E11 HydrophobicContact CB-CB 4.49Š|
| 12 | R | 97.3 | Very high | 97 | Very high | 149 Ų | 149 | 71.9 Ų | 71.9 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.9 | 171.9 | -177.2 | 179.8 | 177.9 | -175.9 | -1.1 | 109.7 | F7 D32 | F7-R12 HydrophobicContact CB-CB 4.26Å; F7-R12 HydrophobicContact CD2-CB 4.48Å; F7-R12 HydrophobicContact CD2-CG 4.23Å; F7-R12 PolarHBondContact N-O 2.9Å; F7-R12 PolarHBondContact O-N 2.97Å; R12-D32 IonicContact NH2-OD2 2.68Å; R12-D32 PolarHBondContact NH2-OD2 3.39Å |
| 13 | V | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 6% | 0.055 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.7 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | H5 F6 V64 C68 R69 | H5-V13 WeakPolarHBondContact O-CA 3.4Å; F6-V13 HydrophobicContact CD1-CG1 4.1Å; F6-V13 HydrophobicContact CD1-CG2 3.8Å; F6-V13 HydrophobicContact CE1-CG1 3.9Å; F6-V13 HydrophobicContact CE1-CG2 4.09Å; V13-V64 HydrophobicContact CB-CG1 3.69Å; V13-V64 HydrophobicContact CG1-CG1 3.82Å; V13-C68 HydrophobicContact CG1-CB 3.55Å; V13-R69 HydrophobicContact CG2-CG 4Å |
| 14 | R | 98.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 79.1 Ų | 79.1 | 28% | 0.275 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.9 | 173.2 | -178.9 | -179.5 | 177 | -161.7 | 4.9 | 109.3 | H5 L16 D30 S31 | H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 3.33Å; H5-R14 PolarHBondContact O-N 3.5Å; R14-L16 HydrophobicContact CG-CG 4.47Å; R14-D30 IonicContact CZ-OD1 3.64Å; R14-D30 IonicContact CZ-OD2 3.41Å; R14-D30 IonicContact NE-OD1 2.64Å; R14-D30 PolarHBondContact NE-OD1 3.18Å; R14-D30 IonicContact NE-OD2 3.8Å; R14-D30 PolarHBondContact NE-OD2 2.99Å; R14-D30 IonicContact NH2-OD1 2.95Å; R14-D30 IonicContact NH2-OD2 3.78Å; R14-D30 PolarHBondContact NH2-OD2 3.37Å; R14-S31 WeakPolarHBondContact CA-OG 3.47Å |
| 15 | F | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.8 | 175 | 170.4 | -99.6 | 0 | 0 | 0 | 109.8 | Y2 H17 F29 S31 R60 A63 V64 Y67 C68 | Y2-F15 HydrophobicContact CD1-CE2 4.08Å; Y2-F15 AromaticContact CD1-CZ 3.75Å; Y2-F15 HydrophobicContact CD1-CZ 3.75Å; Y2-F15 HydrophobicContact CE1-CZ 4.36Å; F15-H17 HydrophobicContact CE1-CB 4.09Å; F15-H17 HydrophobicContact CZ-CB 4.08Å; F15-F29 AromaticContact CD1-CD1 3.96Å; F15-F29 HydrophobicContact CD1-CD1 3.96Å; F15-F29 AromaticContact CD1-CE1 3.99Å; F15-F29 HydrophobicContact CD1-CE1 3.99Å; F15-F29 AromaticContact CE1-CD1 3.99Å; F15-F29 HydrophobicContact CE1-CD1 3.99Å; F15-F29 HydrophobicContact CE1-CE1 4.3Å; F15-S31 PolarHBondContact N-OG 3.27Å; F15-S31 PolarHBondContact O-N 3.29Å; F15-S31 PolarHBondContact O-OG 3.11Å; F15-R60 HydrophobicContact CE1-CG 4.1Å; F15-A63 HydrophobicContact CD1-CB 3.85Å; F15-A63 HydrophobicContact CD2-CB 4.2Å; F15-A63 HydrophobicContact CE1-CB 3.81Å; F15-A63 HydrophobicContact CE2-CB 4.12Å; F15-A63 HydrophobicContact CG-CB 4.04Å; F15-A63 HydrophobicContact CZ-CB 3.93Å; F15-V64 HydrophobicContact CB-CG2 3.95Å; F15-Y67 HydrophobicContact CD2-CD1 4.33Å; F15-Y67 HydrophobicContact CE2-CD1 4.1Å; F15-Y67 HydrophobicContact CE2-CE1 4.49Å; F15-C68 VanDerWaalsContact CD2-SG 3.56Å |
| 16 | L | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.5 | 175.7 | -66.3 | 176 | 0 | 0 | 0 | 109.8 | Y2 E3 R14 F29 D30 | Y2-L16 CarbonylContact C-O 3.56Å; Y2-L16 WeakPolarHBondContact CA-O 3.41Å; E3-L16 HydrophobicContact CB-CB 4.27Å; E3-L16 PolarHBondContact N-O 2.93Å; E3-L16 PolarHBondContact O-N 3.49Å; R14-L16 HydrophobicContact CG-CG 4.47Å; L16-F29 WeakPolarHBondContact CA-O 3.47Å; L16-D30 HydrophobicContact CD2-CB 3.78Å; L16-D30 VanDerWaalsContact CD2-CG 3.48Å |
| 17 | H | 98.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.9 | 161.8 | 176 | -159.4 | 0 | 0 | 0 | 107.8 | K1 Y2 F15 R28 F29 Y36 W50 | K1-H17 WeakPolarHBondContact O-CA 3.43Å; Y2-H17 HydrophobicContact CD1-CB 3.83Å; Y2-H17 AromaticContact CD1-CD2 3.62Å; Y2-H17 AromaticContact CD1-CG 3.74Å; Y2-H17 HydrophobicContact CE1-CB 3.83Å; Y2-H17 AromaticContact CE1-CD2 3.18Å; Y2-H17 WeakPolarHBondContact CE1-CD2 3.42Å; Y2-H17 AromaticContact CE1-CE1 3.78Å; Y2-H17 AromaticContact CE1-CG 3.28Å; Y2-H17 AromaticContact CE1-ND1 3.64Å; Y2-H17 AromaticContact CE1-NE2 3.5Å; Y2-H17 WeakPolarHBondContact CE1-NE2 3.5Å; Y2-H17 AromaticContact CZ-CD2 3.77Å; Y2-H17 AromaticContact CZ-NE2 3.62Å; F15-H17 HydrophobicContact CE1-CB 4.09Å; F15-H17 HydrophobicContact CZ-CB 4.08Å; H17-R28 CarbonylContact O-C 3.56Å; H17-R28 VanDerWaalsContact O-CA 3.26Å; H17-R28 WeakPolarHBondContact O-CA 3.47Å; H17-F29 HydrophobicContact CB-CB 4.15Å; H17-F29 PolarHBondContact N-O 3.27Å; H17-F29 PolarHBondContact O-N 3.45Å; H17-Y36 AromaticContact ND1-CE1 3.52Å; H17-Y36 AromaticContact ND1-CZ 3.83Å; H17-Y36 PolarHBondContact ND1-OH 2.97Å; H17-W50 AromaticContact CE1-CZ3 3.84Å |
| 18 | R | 98 | Very high | 96.9 | Very high | 61 Ų | 61 | 71 Ų | 71 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117 | 178.9 | -56.1 | 174.5 | 61.4 | -156.7 | -2.6 | 108.8 | K1 E3 I20 E25 R28 | K1-R18 HydrophobicContact CB-CB 4.48Å; K1-R18 PolarHBondContact N-O 3.02Å; K1-R18 PolarHBondContact O-N 2.88Å; E3-R18 IonicContact OE1-NH1 2.64Å; E3-R18 PolarHBondContact OE1-NH1 3.23Å; R18-I20 HydrophobicContact CB-CG1 4.44Å; R18-E25 HydrophobicContact CB-CG 4.36Å; R18-E25 WeakPolarHBondContact CB-OE1 3.1Å; R18-E25 VanDerWaalsContact CG-OE1 3.25Å; R18-E25 WeakPolarHBondContact CG-OE1 3.27Å; R18-E25 IonicContact CZ-OE2 3.38Å; R18-E25 VanDerWaalsContact CZ-OE2 3.24Å; R18-E25 IonicContact NE-OE1 3.08Å; R18-E25 PolarHBondContact NE-OE1 3.33Å; R18-E25 VanDerWaalsContact NE-OE1 3.09Å; R18-E25 IonicContact NE-OE2 3.75Å; R18-E25 PolarHBondContact NE-OE2 3.07Å; R18-E25 IonicContact NH2-OE2 3.36Å; R18-E25 PolarHBondContact NH2-OE2 3.3Å; R18-R28 HydrophobicContact CG-CG 4.45Å |
| 19 | D | 97.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.2 | 169 | -149.5 | -9.7 | 0 | 0 | 0 | 109.6 | E25 D26 L27 | D19-E25 VanDerWaalsContact O-CA 3.32Å; D19-E25 WeakPolarHBondContact O-CA 3.42Å; D19-E25 WeakPolarHBondContact O-CG 3.33Å; D19-D26 PolarHBondContact O-N 3.16Å; D19-L27 HydrophobicContact CB-CB 3.95Å; D19-L27 PolarHBondContact N-O 3.47Å |
| 20 | I | 97.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 35% | 0.354 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 113.4 | -169.9 | -56.3 | 174.6 | 0 | 0 | 0 | 109.2 | K1 R18 E24 E25 | K1-I20 HydrophobicContact CB-CD1 4.33Å; R18-I20 HydrophobicContact CB-CG1 4.44Å; I20-E24 CarbonylContact C-O 3.57Å; I20-E24 VanDerWaalsContact CA-O 3.31Å; I20-E24 WeakPolarHBondContact CA-O 3.16Å; I20-E25 HydrophobicContact CG1-CB 4.22Å; I20-E25 HydrophobicContact CG1-CG 4.46Å |
| 21 | Y | 94.9 | Very high | 97.4 | Very high | 135 Ų | 135 | 62.2 Ų | 62.2 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.7 | 175.1 | -175.8 | -106.2 | 0 | 0 | 0 | 110.2 | Q23 E24 L42 | Y21-Q23 PolarHBondContact O-N 3.17Å; Y21-Q23 VanDerWaalsContact O-N 3.13Å; Y21-E24 PolarHBondContact N-O 3.48Å; Y21-E24 WeakPolarHBondContact O-CA 3.41Å; Y21-E24 WeakPolarHBondContact O-CB 3.42Å; Y21-E24 PolarHBondContact O-N 3.45Å; Y21-E24 VanDerWaalsContact O-O 3.09Å; Y21-L42 HydrophobicContact CD1-CD2 3.89Å; Y21-L42 HydrophobicContact CG-CD2 4.38Å |
| 22 | N | 94.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 68% | 0.684 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.2 | -179.6 | -66.9 | -26.2 | 0 | 0 | 0 | 115.1 | E24 | N22-E24 PolarHBondContact O-N 3.47Š|
| 23 | Q | 95 | Very high | 97.6 | Very high | 192 Ų | 192 | 56 Ų | 56 | 90% | 0.897 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | -2.6 | -175.5 | -46.9 | 176.7 | -0.3 | 0 | 0 | 115.3 | Y21 | Y21-Q23 PolarHBondContact O-N 3.17Å; Y21-Q23 VanDerWaalsContact O-N 3.13Å |
| 24 | E | 96.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.5 | 170.9 | -174.6 | 172.7 | -166.3 | 0 | 0 | 109.2 | I20 Y21 N22 D26 T40 | I20-E24 CarbonylContact C-O 3.57Å; I20-E24 VanDerWaalsContact CA-O 3.31Å; I20-E24 WeakPolarHBondContact CA-O 3.16Å; Y21-E24 PolarHBondContact N-O 3.48Å; Y21-E24 WeakPolarHBondContact O-CA 3.41Å; Y21-E24 WeakPolarHBondContact O-CB 3.42Å; Y21-E24 PolarHBondContact O-N 3.45Å; Y21-E24 VanDerWaalsContact O-O 3.09Å; N22-E24 PolarHBondContact O-N 3.47Å; E24-D26 PolarHBondContact O-N 3.45Å; E24-T40 HydrophobicContact CG-CG2 3.95Å; E24-T40 VanDerWaalsContact OE1-CG2 3.23Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.32Å |
| 25 | E | 97.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.9 | 170.4 | 179.5 | -178.5 | -172.5 | 0 | 0 | 108.7 | R18 D19 I20 R28 V39 T40 | R18-E25 HydrophobicContact CB-CG 4.36Å; R18-E25 WeakPolarHBondContact CB-OE1 3.1Å; R18-E25 VanDerWaalsContact CG-OE1 3.25Å; R18-E25 WeakPolarHBondContact CG-OE1 3.27Å; R18-E25 IonicContact CZ-OE2 3.38Å; R18-E25 VanDerWaalsContact CZ-OE2 3.24Å; R18-E25 IonicContact NE-OE1 3.08Å; R18-E25 PolarHBondContact NE-OE1 3.33Å; R18-E25 VanDerWaalsContact NE-OE1 3.09Å; R18-E25 IonicContact NE-OE2 3.75Å; R18-E25 PolarHBondContact NE-OE2 3.07Å; R18-E25 IonicContact NH2-OE2 3.36Å; R18-E25 PolarHBondContact NH2-OE2 3.3Å; D19-E25 VanDerWaalsContact O-CA 3.32Å; D19-E25 WeakPolarHBondContact O-CA 3.42Å; D19-E25 WeakPolarHBondContact O-CG 3.33Å; I20-E25 HydrophobicContact CG1-CB 4.22Å; I20-E25 HydrophobicContact CG1-CG 4.46Å; E25-R28 IonicContact OE1-CZ 2.65Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 PolarHBondContact OE1-NE 3.19Å; E25-R28 IonicContact OE1-NH2 3.69Å; E25-R28 PolarHBondContact OE1-NH2 3.01Å; E25-R28 IonicContact OE2-CZ 2.92Å; E25-R28 IonicContact OE2-NH2 3.97Å; E25-R28 PolarHBondContact OE2-NH2 3.4Å; E25-V39 HydrophobicContact CG-CB 4.45Å; E25-V39 HydrophobicContact CG-CG2 4.08Å; E25-V39 WeakPolarHBondContact O-CB 3.46Å; E25-V39 VanDerWaalsContact O-CG1 3.28Å; E25-V39 WeakPolarHBondContact O-CG1 3.45Å; E25-T40 WeakPolarHBondContact O-CG2 3.42Å |
| 26 | D | 97.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -26.8 | -175.7 | 54.3 | 0.1 | 0 | 0 | 0 | 113 | D19 E24 A38 V39 T40 L42 G43 | D19-D26 PolarHBondContact O-N 3.16Å; E24-D26 PolarHBondContact O-N 3.45Å; D26-A38 CarbonylContact O-C 3.51Å; D26-A38 WeakPolarHBondContact O-CA 3.48Å; D26-V39 PolarHBondContact O-N 3.47Å; D26-T40 WeakPolarHBondContact CA-OG1 3.33Å; D26-T40 WeakPolarHBondContact CB-OG1 3.11Å; D26-T40 PolarHBondContact O-N 2.99Å; D26-L42 HydrophobicContact CB-CB 4.13Å; D26-L42 HydrophobicContact CB-CD2 4.31Å; D26-L42 HydrophobicContact CB-CG 4.41Å; D26-G43 WeakPolarHBondContact O-CA 3.37Å |
| 27 | L | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 142.5 | -178 | -175.6 | 69.3 | 0 | 0 | 0 | 112.1 | D19 Y36 D46 A47 W50 | D19-L27 HydrophobicContact CB-CB 3.95Å; D19-L27 PolarHBondContact N-O 3.47Å; L27-Y36 HydrophobicContact CD1-CD1 4.37Å; L27-Y36 HydrophobicContact CD2-CD1 4.01Å; L27-Y36 HydrophobicContact CG-CD1 4Å; L27-D46 HydrophobicContact CD2-CB 3.73Å; L27-A47 HydrophobicContact CD1-CB 3.52Å; L27-W50 HydrophobicContact CD2-CD2 4.2Å; L27-W50 HydrophobicContact CD2-CE3 3.44Å; L27-W50 VanDerWaalsContact CD2-CE3 3.44Å; L27-W50 HydrophobicContact CD2-CH2 3.89Å; L27-W50 HydrophobicContact CD2-CZ3 3.27Å; L27-W50 HydrophobicContact CG-CZ3 4.45Å |
| 28 | R | 98.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 134.7 | 176.6 | -178.8 | -176.9 | -63.5 | 175.9 | 3.8 | 112.3 | H17 R18 E25 Y36 R37 V39 | H17-R28 CarbonylContact O-C 3.56Å; H17-R28 VanDerWaalsContact O-CA 3.26Å; H17-R28 WeakPolarHBondContact O-CA 3.47Å; R18-R28 HydrophobicContact CG-CG 4.45Å; E25-R28 IonicContact OE1-CZ 2.65Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 PolarHBondContact OE1-NE 3.19Å; E25-R28 IonicContact OE1-NH2 3.69Å; E25-R28 PolarHBondContact OE1-NH2 3.01Å; E25-R28 IonicContact OE2-CZ 2.92Å; E25-R28 IonicContact OE2-NH2 3.97Å; E25-R28 PolarHBondContact OE2-NH2 3.4Å; R28-Y36 CarbonylContact O-C 3.58Å; R28-Y36 VanDerWaalsContact O-CA 3.32Å; R28-Y36 WeakPolarHBondContact O-CA 3.47Å; R28-R37 PolarHBondContact N-O 3.46Å; R28-R37 PolarHBondContact O-N 2.95Å; R28-V39 HydrophobicContact CB-CG2 3.86Å |
| 29 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.4 | 155 | 177.4 | -81.9 | 0 | 0 | 0 | 109.8 | F15 L16 H17 G34 E35 Y36 L57 R60 R61 | F15-F29 AromaticContact CD1-CD1 3.96Å; F15-F29 HydrophobicContact CD1-CD1 3.96Å; F15-F29 AromaticContact CD1-CE1 3.99Å; F15-F29 HydrophobicContact CD1-CE1 3.99Å; F15-F29 AromaticContact CE1-CD1 3.99Å; F15-F29 HydrophobicContact CE1-CD1 3.99Å; F15-F29 HydrophobicContact CE1-CE1 4.3Å; L16-F29 WeakPolarHBondContact CA-O 3.47Å; H17-F29 HydrophobicContact CB-CB 4.15Å; H17-F29 PolarHBondContact N-O 3.27Å; H17-F29 PolarHBondContact O-N 3.45Å; F29-G34 VanDerWaalsContact CE2-C 3.48Å; F29-E35 VanDerWaalsContact CD2-C 3.48Å; F29-Y36 HydrophobicContact CB-CD1 3.54Å; F29-Y36 HydrophobicContact CB-CD2 4.31Å; F29-Y36 HydrophobicContact CB-CE1 3.42Å; F29-Y36 VanDerWaalsContact CB-CE1 3.42Å; F29-Y36 HydrophobicContact CB-CE2 4.22Å; F29-Y36 HydrophobicContact CB-CG 4Å; F29-Y36 AromaticContact CD2-CD2 3.97Å; F29-Y36 HydrophobicContact CD2-CD2 3.97Å; F29-Y36 AromaticContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CG 4.33Å; F29-Y36 HydrophobicContact CG-CE1 4.44Å; F29-Y36 HydrophobicContact CG-CE2 4.47Å; F29-L57 HydrophobicContact CD2-CD1 4.24Å; F29-L57 HydrophobicContact CE2-CD1 3.95Å; F29-R60 HydrophobicContact CB-CG 4.14Å; F29-R60 HydrophobicContact CD1-CG 3.51Å; F29-R60 HydrophobicContact CD2-CB 4.23Å; F29-R60 HydrophobicContact CD2-CG 3.55Å; F29-R60 HydrophobicContact CE1-CB 4.42Å; F29-R60 HydrophobicContact CE1-CG 3.67Å; F29-R60 HydrophobicContact CE2-CB 3.98Å; F29-R60 HydrophobicContact CE2-CG 3.7Å; F29-R60 HydrophobicContact CG-CG 3.46Å; F29-R60 VanDerWaalsContact CG-CG 3.46Å; F29-R60 HydrophobicContact CZ-CB 4.09Å; F29-R60 HydrophobicContact CZ-CG 3.76Å; F29-R61 HydrophobicContact CE2-CG 4.26Å; F29-R61 HydrophobicContact CZ-CB 4.5Å; F29-R61 HydrophobicContact CZ-CG 3.86Å |
| 30 | D | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 63 Ų | 63 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.7 | 176.6 | -172.5 | -13.7 | 0 | 0 | 0 | 109.4 | R14 L16 D32 V33 G34 | R14-D30 IonicContact CZ-OD1 3.64Å; R14-D30 IonicContact CZ-OD2 3.41Å; R14-D30 IonicContact NE-OD1 2.64Å; R14-D30 PolarHBondContact NE-OD1 3.18Å; R14-D30 IonicContact NE-OD2 3.8Å; R14-D30 PolarHBondContact NE-OD2 2.99Å; R14-D30 IonicContact NH2-OD1 2.95Å; R14-D30 IonicContact NH2-OD2 3.78Å; R14-D30 PolarHBondContact NH2-OD2 3.37Å; L16-D30 HydrophobicContact CD2-CB 3.78Å; L16-D30 VanDerWaalsContact CD2-CG 3.48Å; D30-D32 PolarHBondContact O-N 3.31Å; D30-D32 PolarHBondContact OD1-N 3.08Å; D30-D32 VanDerWaalsContact OD1-N 3.1Å; D30-V33 HydrophobicContact CB-CB 4.23Å; D30-V33 HydrophobicContact CB-CG2 3.96Å; D30-V33 CarbonylContact O-C 3.51Å; D30-V33 PolarHBondContact O-N 2.95Å; D30-G34 PolarHBondContact O-N 3.49Å |
| 31 | S | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.9 | -179.2 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | R14 F15 V33 V64 | R14-S31 WeakPolarHBondContact CA-OG 3.47Å; F15-S31 PolarHBondContact N-OG 3.27Å; F15-S31 PolarHBondContact O-N 3.29Å; F15-S31 PolarHBondContact O-OG 3.11Å; S31-V33 PolarHBondContact O-N 3.46Å; S31-V64 VanDerWaalsContact CB-CG2 3.49Å |
| 32 | D | 97.7 | Very high | 97.5 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.5 | 177.2 | -73.1 | 7.6 | 0 | 0 | 0 | 111.4 | R12 D30 | R12-D32 IonicContact NH2-OD2 2.68Å; R12-D32 PolarHBondContact NH2-OD2 3.39Å; D30-D32 PolarHBondContact O-N 3.31Å; D30-D32 PolarHBondContact OD1-N 3.08Å; D30-D32 VanDerWaalsContact OD1-N 3.1Å |
| 33 | V | 97.9 | Very high | 97.7 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -36.7 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | D30 S31 E35 | D30-V33 HydrophobicContact CB-CB 4.23Å; D30-V33 HydrophobicContact CB-CG2 3.96Å; D30-V33 CarbonylContact O-C 3.51Å; D30-V33 PolarHBondContact O-N 2.95Å; S31-V33 PolarHBondContact O-N 3.46Å; V33-E35 HydrophobicContact CG1-CG 4.07Å |
| 34 | G | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 11.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F29 D30 R61 | F29-G34 VanDerWaalsContact CE2-C 3.48Å; D30-G34 PolarHBondContact O-N 3.49Å; G34-R61 VanDerWaalsContact O-CZ 3.28Å; G34-R61 PolarHBondContact O-NE 3.37Å; G34-R61 PolarHBondContact O-NH2 3.45Å |
| 35 | E | 98.2 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 168 | 177.7 | 65.9 | -177.4 | -169.6 | 0 | 0 | 113.2 | F29 V33 R37 L57 | F29-E35 VanDerWaalsContact CD2-C 3.48Å; V33-E35 HydrophobicContact CG1-CG 4.07Å; E35-R37 IonicContact OE1-CZ 3.29Å; E35-R37 IonicContact OE1-NE 3.19Å; E35-R37 PolarHBondContact OE1-NE 2.87Å; E35-R37 IonicContact OE1-NH2 2.99Å; E35-R37 PolarHBondContact OE1-NH2 2.93Å; E35-L57 HydrophobicContact CB-CD1 4.36Å |
| 36 | Y | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.5 | 173.4 | -72.4 | -86.8 | 0 | 0 | 0 | 111.1 | H17 L27 R28 F29 W50 N51 F56 L57 R60 | H17-Y36 AromaticContact ND1-CE1 3.52Å; H17-Y36 AromaticContact ND1-CZ 3.83Å; H17-Y36 PolarHBondContact ND1-OH 2.97Å; L27-Y36 HydrophobicContact CD1-CD1 4.37Å; L27-Y36 HydrophobicContact CD2-CD1 4.01Å; L27-Y36 HydrophobicContact CG-CD1 4Å; R28-Y36 CarbonylContact O-C 3.58Å; R28-Y36 VanDerWaalsContact O-CA 3.32Å; R28-Y36 WeakPolarHBondContact O-CA 3.47Å; F29-Y36 HydrophobicContact CB-CD1 3.54Å; F29-Y36 HydrophobicContact CB-CD2 4.31Å; F29-Y36 HydrophobicContact CB-CE1 3.42Å; F29-Y36 VanDerWaalsContact CB-CE1 3.42Å; F29-Y36 HydrophobicContact CB-CE2 4.22Å; F29-Y36 HydrophobicContact CB-CG 4Å; F29-Y36 AromaticContact CD2-CD2 3.97Å; F29-Y36 HydrophobicContact CD2-CD2 3.97Å; F29-Y36 AromaticContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CG 4.33Å; F29-Y36 HydrophobicContact CG-CE1 4.44Å; F29-Y36 HydrophobicContact CG-CE2 4.47Å; Y36-W50 AromaticContact CD1-CE3 3.56Å; Y36-W50 HydrophobicContact CD1-CE3 3.56Å; Y36-W50 AromaticContact CD1-CZ3 4Å; Y36-W50 HydrophobicContact CD1-CZ3 4Å; Y36-W50 HydrophobicContact CD2-CB 3.83Å; Y36-W50 HydrophobicContact CD2-CE3 4.17Å; Y36-W50 AromaticContact CE1-CE3 3.25Å; Y36-W50 HydrophobicContact CE1-CE3 3.25Å; Y36-W50 AromaticContact CE1-CZ3 3.47Å; Y36-W50 HydrophobicContact CE1-CZ3 3.47Å; Y36-W50 VanDerWaalsContact CE1-CZ3 3.47Å; Y36-W50 HydrophobicContact CE2-CB 4.05Å; Y36-W50 AromaticContact CE2-CE3 3.9Å; Y36-W50 HydrophobicContact CE2-CE3 3.9Å; Y36-W50 HydrophobicContact CG-CB 4.3Å; Y36-W50 HydrophobicContact CG-CE3 4Å; Y36-W50 AromaticContact CZ-CE3 3.41Å; Y36-W50 VanDerWaalsContact CZ-CE3 3.41Å; Y36-W50 AromaticContact CZ-CZ3 3.91Å; Y36-N51 WeakPolarHBondContact CB-OD1 3.31Å; Y36-N51 PolarHBondContact N-OD1 2.97Å; Y36-N51 PolarHBondContact O-ND2 2.89Å; Y36-F56 HydrophobicContact CE2-CD1 4.08Å; Y36-F56 AromaticContact CE2-CE1 3.53Å; Y36-F56 HydrophobicContact CE2-CE1 3.53Å; Y36-F56 HydrophobicContact CE2-CZ 4.44Å; Y36-F56 AromaticContact CZ-CE1 3.69Å; Y36-F56 WeakPolarHBondContact OH-CE1 3.32Å; Y36-F56 VanDerWaalsContact OH-CZ 3.31Å; Y36-F56 WeakPolarHBondContact OH-CZ 3.34Å; Y36-L57 HydrophobicContact CD2-CD1 4Å; Y36-L57 HydrophobicContact CE2-CD1 4.32Å; Y36-R60 HydrophobicContact CE2-CG 4.18Å; Y36-R60 PolarHBondContact OH-NE 2.87Å; Y36-R60 PolarHBondContact OH-NH2 3.04Å |
| 37 | R | 98.4 | Very high | 97.9 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.5 | 175.4 | -70.4 | -68.3 | -177.6 | 150.8 | -3.3 | 108.9 | R28 E35 V39 | R28-R37 PolarHBondContact N-O 3.46Å; R28-R37 PolarHBondContact O-N 2.95Å; E35-R37 IonicContact OE1-CZ 3.29Å; E35-R37 IonicContact OE1-NE 3.19Å; E35-R37 PolarHBondContact OE1-NE 2.87Å; E35-R37 IonicContact OE1-NH2 2.99Å; E35-R37 PolarHBondContact OE1-NH2 2.93Å; R37-V39 PolarHBondContact O-N 3.04Å |
| 38 | A | 97.9 | Very high | 97.9 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 123.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | D26 R44 A47 | D26-A38 CarbonylContact O-C 3.51Å; D26-A38 WeakPolarHBondContact O-CA 3.48Å; A38-R44 HydrophobicContact CB-CB 4.27Å; A38-A47 HydrophobicContact CB-CB 4.14Å |
| 39 | V | 97.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -83.8 | -31.4 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | E25 D26 R28 R37 | E25-V39 HydrophobicContact CG-CB 4.45Å; E25-V39 HydrophobicContact CG-CG2 4.08Å; E25-V39 WeakPolarHBondContact O-CB 3.46Å; E25-V39 VanDerWaalsContact O-CG1 3.28Å; E25-V39 WeakPolarHBondContact O-CG1 3.45Å; D26-V39 PolarHBondContact O-N 3.47Å; R28-V39 HydrophobicContact CB-CG2 3.86Å; R37-V39 PolarHBondContact O-N 3.04Å |
| 40 | T | 97.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -132.9 | 170.5 | 177 | 73.6 | 0 | 0 | 0 | 0 | 109.9 | E24 E25 D26 L42 G43 | E24-T40 HydrophobicContact CG-CG2 3.95Å; E24-T40 VanDerWaalsContact OE1-CG2 3.23Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.32Å; E25-T40 WeakPolarHBondContact O-CG2 3.42Å; D26-T40 WeakPolarHBondContact CA-OG1 3.33Å; D26-T40 WeakPolarHBondContact CB-OG1 3.11Å; D26-T40 PolarHBondContact O-N 2.99Å; T40-L42 PolarHBondContact O-N 3.01Å; T40-G43 PolarHBondContact O-N 2.95Å |
| 41 | E | 96.1 | Very high | 97.8 | Very high | 135 Ų | 135 | 67.9 Ų | 67.9 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -60.6 | -29.1 | 179.3 | -70.1 | -60.1 | 155.1 | 0 | 0 | 113.1 | G43 R44 | E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.09Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 2.87Å; E41-R44 IonicContact OE1-CZ 2.74Å; E41-R44 IonicContact OE1-NH2 3.24Å; E41-R44 PolarHBondContact OE1-NH2 3.15Å; E41-R44 IonicContact OE2-CZ 2.71Å; E41-R44 IonicContact OE2-NE 2.7Å; E41-R44 PolarHBondContact OE2-NE 3.09Å; E41-R44 IonicContact OE2-NH2 2.89Å; E41-R44 PolarHBondContact OE2-NH2 3.37Å |
| 42 | L | 96.2 | Very high | 97.8 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -61.8 | -38.6 | 179.9 | -176.1 | 63 | 0 | 0 | 0 | 112 | Y21 D26 T40 R44 P45 | Y21-L42 HydrophobicContact CD1-CD2 3.89Å; Y21-L42 HydrophobicContact CG-CD2 4.38Å; D26-L42 HydrophobicContact CB-CB 4.13Å; D26-L42 HydrophobicContact CB-CD2 4.31Å; D26-L42 HydrophobicContact CB-CG 4.41Å; T40-L42 PolarHBondContact O-N 3.01Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.19Å; L42-P45 VanDerWaalsContact O-CD 3.31Å; L42-P45 WeakPolarHBondContact O-CD 3.42Å |
| 43 | G | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -82.9 | -2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D26 T40 E41 D46 A47 | D26-G43 WeakPolarHBondContact O-CA 3.37Å; T40-G43 PolarHBondContact O-N 2.95Å; E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.09Å; G43-D46 PolarHBondContact O-N 3.31Å; G43-A47 WeakPolarHBondContact O-CB 3.48Å; G43-A47 PolarHBondContact O-N 3.3Å |
| 44 | R | 98 | Very high | 97.8 | Very high | 126 Ų | 126 | 73.8 Ų | 73.8 | 48% | 0.475 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | -178.1 | -168.8 | -169.7 | -65.7 | -151.8 | -3.8 | 113 | A38 E41 L42 D46 A47 E48 | A38-R44 HydrophobicContact CB-CB 4.27Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 2.87Å; E41-R44 IonicContact OE1-CZ 2.74Å; E41-R44 IonicContact OE1-NH2 3.24Å; E41-R44 PolarHBondContact OE1-NH2 3.15Å; E41-R44 IonicContact OE2-CZ 2.71Å; E41-R44 IonicContact OE2-NE 2.7Å; E41-R44 PolarHBondContact OE2-NE 3.09Å; E41-R44 IonicContact OE2-NH2 2.89Å; E41-R44 PolarHBondContact OE2-NH2 3.37Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.19Å; R44-D46 VanDerWaalsContact C-N 3.31Å; R44-D46 PolarHBondContact O-N 2.87Å; R44-A47 PolarHBondContact O-N 3.1Å; R44-E48 PolarHBondContact O-N 3.5Å; R44-E48 VanDerWaalsContact O-N 3.12Å |
| 45 | P | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 79.6 Ų | 79.6 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 178.6 | -21.8 | 34.9 | 0 | 0 | 0 | 112.3 | L42 E48 Y49 | L42-P45 VanDerWaalsContact O-CD 3.31Å; L42-P45 WeakPolarHBondContact O-CD 3.42Å; P45-E48 PolarHBondContact O-N 3.09Å; P45-Y49 WeakPolarHBondContact O-CB 3.24Å; P45-Y49 PolarHBondContact O-N 3.06Å |
| 46 | D | 97.9 | Very high | 97.8 | Very high | 60 Ų | 60 | 79.8 Ų | 79.8 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.4 | -38.2 | -179.5 | -66.3 | -44 | 0 | 0 | 0 | 112.1 | L27 G43 R44 E48 Y49 W50 | L27-D46 HydrophobicContact CD2-CB 3.73Å; G43-D46 PolarHBondContact O-N 3.31Å; R44-D46 VanDerWaalsContact C-N 3.31Å; R44-D46 PolarHBondContact O-N 2.87Å; D46-E48 PolarHBondContact O-N 3.1Å; D46-Y49 PolarHBondContact O-N 3.19Å; D46-W50 VanDerWaalsContact O-CB 3.29Å; D46-W50 WeakPolarHBondContact O-CB 3.44Å; D46-W50 PolarHBondContact O-N 3.43Å |
| 47 | A | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 80.3 Ų | 80.3 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L27 A38 G43 R44 N51 | L27-A47 HydrophobicContact CD1-CB 3.52Å; A38-A47 HydrophobicContact CB-CB 4.14Å; G43-A47 WeakPolarHBondContact O-CB 3.48Å; G43-A47 PolarHBondContact O-N 3.3Å; R44-A47 PolarHBondContact O-N 3.1Å; A47-N51 WeakPolarHBondContact O-CB 3.26Å; A47-N51 PolarHBondContact O-N 3.15Å; A47-N51 PolarHBondContact O-ND2 2.98Å |
| 48 | E | 97.9 | Very high | 97.7 | Very high | 129 Ų | 129 | 78 Ų | 78 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.6 | -48.4 | 177.9 | -71.4 | 175.9 | -168.9 | 0 | 0 | 111.2 | R44 P45 D46 S52 | R44-E48 PolarHBondContact O-N 3.5Å; R44-E48 VanDerWaalsContact O-N 3.12Å; P45-E48 PolarHBondContact O-N 3.09Å; D46-E48 PolarHBondContact O-N 3.1Å; E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.24Å; E48-S52 VanDerWaalsContact O-N 3.07Å |
| 49 | Y | 98.2 | Very high | 97.7 | Very high | 138 Ų | 138 | 81.5 Ų | 81.5 | 54% | 0.541 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | -178.3 | 180 | -120.7 | 0 | 0 | 0 | 112.4 | P45 D46 S52 Q53 | P45-Y49 WeakPolarHBondContact O-CB 3.24Å; P45-Y49 PolarHBondContact O-N 3.06Å; D46-Y49 PolarHBondContact O-N 3.19Å; Y49-S52 PolarHBondContact O-N 2.84Å; Y49-S52 PolarHBondContact O-OG 3.22Å; Y49-Q53 PolarHBondContact O-N 3.25Å; Y49-Q53 PolarHBondContact OH-NE2 3.19Å |
| 50 | W | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 79.9 Ų | 79.9 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.7 | -33.8 | -177.9 | -68.9 | 1.7 | 0 | 0 | 0 | 112.9 | H17 L27 Y36 D46 S52 Q53 F56 | H17-W50 AromaticContact CE1-CZ3 3.84Å; L27-W50 HydrophobicContact CD2-CD2 4.2Å; L27-W50 HydrophobicContact CD2-CE3 3.44Å; L27-W50 VanDerWaalsContact CD2-CE3 3.44Å; L27-W50 HydrophobicContact CD2-CH2 3.89Å; L27-W50 HydrophobicContact CD2-CZ3 3.27Å; L27-W50 HydrophobicContact CG-CZ3 4.45Å; Y36-W50 AromaticContact CD1-CE3 3.56Å; Y36-W50 HydrophobicContact CD1-CE3 3.56Å; Y36-W50 AromaticContact CD1-CZ3 4Å; Y36-W50 HydrophobicContact CD1-CZ3 4Å; Y36-W50 HydrophobicContact CD2-CB 3.83Å; Y36-W50 HydrophobicContact CD2-CE3 4.17Å; Y36-W50 AromaticContact CE1-CE3 3.25Å; Y36-W50 HydrophobicContact CE1-CE3 3.25Å; Y36-W50 AromaticContact CE1-CZ3 3.47Å; Y36-W50 HydrophobicContact CE1-CZ3 3.47Å; Y36-W50 VanDerWaalsContact CE1-CZ3 3.47Å; Y36-W50 HydrophobicContact CE2-CB 4.05Å; Y36-W50 AromaticContact CE2-CE3 3.9Å; Y36-W50 HydrophobicContact CE2-CE3 3.9Å; Y36-W50 HydrophobicContact CG-CB 4.3Å; Y36-W50 HydrophobicContact CG-CE3 4Å; Y36-W50 AromaticContact CZ-CE3 3.41Å; Y36-W50 VanDerWaalsContact CZ-CE3 3.41Å; Y36-W50 AromaticContact CZ-CZ3 3.91Å; D46-W50 VanDerWaalsContact O-CB 3.29Å; D46-W50 WeakPolarHBondContact O-CB 3.44Å; D46-W50 PolarHBondContact O-N 3.43Å; W50-S52 VanDerWaalsContact C-N 3.27Å; W50-S52 PolarHBondContact O-N 2.68Å; W50-Q53 PolarHBondContact O-N 3.11Å; W50-F56 HydrophobicContact CB-CD1 4.1Å; W50-F56 HydrophobicContact CB-CE1 3.89Å; W50-F56 AromaticContact CD2-CE1 3.8Å; W50-F56 HydrophobicContact CD2-CE1 3.8Å; W50-F56 HydrophobicContact CD2-CZ 4.35Å; W50-F56 AromaticContact CE3-CE1 3.97Å; W50-F56 HydrophobicContact CE3-CE1 3.97Å; W50-F56 HydrophobicContact CE3-CZ 4.41Å; W50-F56 HydrophobicContact CG-CD1 4.3Å; W50-F56 AromaticContact CG-CE1 3.77Å; W50-F56 HydrophobicContact CG-CE1 3.77Å |
| 51 | N | 98.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 82.9 Ų | 82.9 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.2 | -25.3 | 172.8 | -71.1 | -28.2 | 0 | 0 | 0 | 112.5 | Y36 A47 Q53 L57 | Y36-N51 WeakPolarHBondContact CB-OD1 3.31Å; Y36-N51 PolarHBondContact N-OD1 2.97Å; Y36-N51 PolarHBondContact O-ND2 2.89Å; A47-N51 WeakPolarHBondContact O-CB 3.26Å; A47-N51 PolarHBondContact O-N 3.15Å; A47-N51 PolarHBondContact O-ND2 2.98Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; N51-L57 WeakPolarHBondContact OD1-CD1 3.36Å |
| 52 | S | 98.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 58% | 0.58 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.9 | -23.4 | 175.1 | 80.5 | 0 | 0 | 0 | 0 | 113.4 | E48 Y49 W50 K54 | E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.24Å; E48-S52 VanDerWaalsContact O-N 3.07Å; Y49-S52 PolarHBondContact O-N 2.84Å; Y49-S52 PolarHBondContact O-OG 3.22Å; W50-S52 VanDerWaalsContact C-N 3.27Å; W50-S52 PolarHBondContact O-N 2.68Å; S52-K54 PolarHBondContact O-N 3.26Å |
| 53 | Q | 98.2 | Very high | 98 | Very high | 70 Ų | 70 | 74.2 Ų | 74.2 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | trans | -87.3 | 92.4 | 179.1 | -69.1 | -178.5 | 68.8 | 0 | 0 | 110.7 | Y49 W50 N51 D55 F56 L57 | Y49-Q53 PolarHBondContact O-N 3.25Å; Y49-Q53 PolarHBondContact OH-NE2 3.19Å; W50-Q53 PolarHBondContact O-N 3.11Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; Q53-D55 PolarHBondContact O-N 2.99Å; Q53-F56 HydrophobicContact CB-CB 3.92Å; Q53-F56 PolarHBondContact O-N 2.92Å; Q53-L57 PolarHBondContact O-N 3.09Å | ||
| 54 | K | 96.7 | Very high | 98 | Very high | 166 Ų | 166 | 75 Ų | 75 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -55.9 | -48.2 | -173.9 | -67.2 | -174.6 | 177.3 | -179.3 | 0 | 113.7 | S52 F56 L57 E58 | S52-K54 PolarHBondContact O-N 3.26Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.36Å; K54-L57 PolarHBondContact O-N 3.05Å; K54-E58 WeakPolarHBondContact O-CG 3.33Å; K54-E58 PolarHBondContact O-N 3.43Å |
| 55 | D | 97.7 | Very high | 98 | Very high | 134 Ų | 134 | 73.4 Ų | 73.4 | 72% | 0.717 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | -177.5 | -59 | -20.2 | 0 | 0 | 0 | 111 | Q53 L57 E58 D59 | Q53-D55 PolarHBondContact O-N 2.99Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.29Å; D55-E58 PolarHBondContact O-N 3.31Å; D55-D59 WeakPolarHBondContact O-CB 3.46Å; D55-D59 PolarHBondContact O-N 2.91Å |
| 56 | F | 97.4 | Very high | 98 | Very high | 61 Ų | 61 | 73.9 Ų | 73.9 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.2 | -179.1 | -108.6 | 0 | 0 | 0 | 112.7 | Y36 W50 Q53 K54 R60 | Y36-F56 HydrophobicContact CE2-CD1 4.08Å; Y36-F56 AromaticContact CE2-CE1 3.53Å; Y36-F56 HydrophobicContact CE2-CE1 3.53Å; Y36-F56 HydrophobicContact CE2-CZ 4.44Å; Y36-F56 AromaticContact CZ-CE1 3.69Å; Y36-F56 WeakPolarHBondContact OH-CE1 3.32Å; Y36-F56 VanDerWaalsContact OH-CZ 3.31Å; Y36-F56 WeakPolarHBondContact OH-CZ 3.34Å; W50-F56 HydrophobicContact CB-CD1 4.1Å; W50-F56 HydrophobicContact CB-CE1 3.89Å; W50-F56 AromaticContact CD2-CE1 3.8Å; W50-F56 HydrophobicContact CD2-CE1 3.8Å; W50-F56 HydrophobicContact CD2-CZ 4.35Å; W50-F56 AromaticContact CE3-CE1 3.97Å; W50-F56 HydrophobicContact CE3-CE1 3.97Å; W50-F56 HydrophobicContact CE3-CZ 4.41Å; W50-F56 HydrophobicContact CG-CD1 4.3Å; W50-F56 AromaticContact CG-CE1 3.77Å; W50-F56 HydrophobicContact CG-CE1 3.77Å; Q53-F56 HydrophobicContact CB-CB 3.92Å; Q53-F56 PolarHBondContact O-N 2.92Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.36Å; F56-R60 WeakPolarHBondContact O-CB 3.19Å; F56-R60 PolarHBondContact O-N 2.82Å; F56-R60 VanDerWaalsContact O-N 3.07Å |
| 57 | L | 98 | Very high | 98 | Very high | 13 Ų | 13 | 76 Ų | 76 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.9 | -166.1 | 64.1 | 0 | 0 | 0 | 111.8 | F29 E35 Y36 N51 Q53 K54 D55 R60 R61 | F29-L57 HydrophobicContact CD2-CD1 4.24Å; F29-L57 HydrophobicContact CE2-CD1 3.95Å; E35-L57 HydrophobicContact CB-CD1 4.36Å; Y36-L57 HydrophobicContact CD2-CD1 4Å; Y36-L57 HydrophobicContact CE2-CD1 4.32Å; N51-L57 WeakPolarHBondContact OD1-CD1 3.36Å; Q53-L57 PolarHBondContact O-N 3.09Å; K54-L57 PolarHBondContact O-N 3.05Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.29Å; L57-R60 WeakPolarHBondContact O-CB 3.31Å; L57-R60 PolarHBondContact O-N 2.79Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 3.26Å |
| 58 | E | 98.1 | Very high | 98 | Very high | 103 Ų | 103 | 75.7 Ų | 75.7 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.5 | -70.1 | -53.9 | 140.6 | 0 | 0 | 112 | K54 D55 R60 R61 A62 | K54-E58 WeakPolarHBondContact O-CG 3.33Å; K54-E58 PolarHBondContact O-N 3.43Å; D55-E58 PolarHBondContact O-N 3.31Å; E58-R60 PolarHBondContact O-N 2.83Å; E58-R61 WeakPolarHBondContact O-CB 3.45Å; E58-R61 PolarHBondContact O-N 2.89Å; E58-R61 VanDerWaalsContact O-N 3.12Å; E58-R61 IonicContact OE1-CZ 3.01Å; E58-R61 IonicContact OE1-NH1 3.75Å; E58-R61 PolarHBondContact OE1-NH1 3.02Å; E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 2.81Å |
| 59 | D | 97.8 | Very high | 98.1 | Very high | 116 Ų | 116 | 73 Ų | 73 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.8 | -39.9 | 172.7 | -78.5 | -13.2 | 0 | 0 | 0 | 111.2 | D55 A62 A63 | D55-D59 WeakPolarHBondContact O-CB 3.46Å; D55-D59 PolarHBondContact O-N 2.91Å; D59-A62 PolarHBondContact O-N 2.75Å; D59-A63 PolarHBondContact O-N 2.8Å |
| 60 | R | 97.7 | Very high | 98 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 178.3 | -163.8 | 62.1 | 61.3 | 176.5 | 23.4 | 112.5 | Y2 F15 F29 Y36 F56 L57 E58 A63 | Y2-R60 PolarHBondContact OH-NH2 3.38Å; F15-R60 HydrophobicContact CE1-CG 4.1Å; F29-R60 HydrophobicContact CB-CG 4.14Å; F29-R60 HydrophobicContact CD1-CG 3.51Å; F29-R60 HydrophobicContact CD2-CB 4.23Å; F29-R60 HydrophobicContact CD2-CG 3.55Å; F29-R60 HydrophobicContact CE1-CB 4.42Å; F29-R60 HydrophobicContact CE1-CG 3.67Å; F29-R60 HydrophobicContact CE2-CB 3.98Å; F29-R60 HydrophobicContact CE2-CG 3.7Å; F29-R60 HydrophobicContact CG-CG 3.46Å; F29-R60 VanDerWaalsContact CG-CG 3.46Å; F29-R60 HydrophobicContact CZ-CB 4.09Å; F29-R60 HydrophobicContact CZ-CG 3.76Å; Y36-R60 HydrophobicContact CE2-CG 4.18Å; Y36-R60 PolarHBondContact OH-NE 2.87Å; Y36-R60 PolarHBondContact OH-NH2 3.04Å; F56-R60 WeakPolarHBondContact O-CB 3.19Å; F56-R60 PolarHBondContact O-N 2.82Å; F56-R60 VanDerWaalsContact O-N 3.07Å; L57-R60 WeakPolarHBondContact O-CB 3.31Å; L57-R60 PolarHBondContact O-N 2.79Å; E58-R60 PolarHBondContact O-N 2.83Å; R60-A63 VanDerWaalsContact O-CB 3.23Å; R60-A63 WeakPolarHBondContact O-CB 3.02Å; R60-A63 PolarHBondContact O-N 2.77Å |
| 61 | R | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 171.8 | -71.1 | 166.7 | -179.3 | 175.3 | -1.6 | 111.5 | F29 G34 L57 E58 A63 | F29-R61 HydrophobicContact CE2-CG 4.26Å; F29-R61 HydrophobicContact CZ-CB 4.5Å; F29-R61 HydrophobicContact CZ-CG 3.86Å; G34-R61 VanDerWaalsContact O-CZ 3.28Å; G34-R61 PolarHBondContact O-NE 3.37Å; G34-R61 PolarHBondContact O-NH2 3.45Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 3.26Å; E58-R61 WeakPolarHBondContact O-CB 3.45Å; E58-R61 PolarHBondContact O-N 2.89Å; E58-R61 VanDerWaalsContact O-N 3.12Å; E58-R61 IonicContact OE1-CZ 3.01Å; E58-R61 IonicContact OE1-NH1 3.75Å; E58-R61 PolarHBondContact OE1-NH1 3.02Å; R61-A63 PolarHBondContact O-N 2.89Å |
| 62 | A | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68 | -17.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E58 D59 V64 D65 T66 | E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 2.81Å; D59-A62 PolarHBondContact O-N 2.75Å; A62-V64 PolarHBondContact O-N 3.13Å; A62-V64 VanDerWaalsContact O-N 3.08Å; A62-D65 PolarHBondContact O-N 3.33Å; A62-T66 HydrophobicContact CB-CG2 4.18Å; A62-T66 PolarHBondContact O-N 2.89Å; A62-T66 PolarHBondContact O-OG1 3.25Å; A62-T66 VanDerWaalsContact O-OG1 3.11Å |
| 63 | A | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.9 | -21.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F15 D59 R60 R61 D65 T66 Y67 C68 | F15-A63 HydrophobicContact CD1-CB 3.85Å; F15-A63 HydrophobicContact CD2-CB 4.2Å; F15-A63 HydrophobicContact CE1-CB 3.81Å; F15-A63 HydrophobicContact CE2-CB 4.12Å; F15-A63 HydrophobicContact CG-CB 4.04Å; F15-A63 HydrophobicContact CZ-CB 3.93Å; D59-A63 PolarHBondContact O-N 2.8Å; R60-A63 VanDerWaalsContact O-CB 3.23Å; R60-A63 WeakPolarHBondContact O-CB 3.02Å; R60-A63 PolarHBondContact O-N 2.77Å; R61-A63 PolarHBondContact O-N 2.89Å; A63-D65 VanDerWaalsContact C-N 3.26Å; A63-D65 PolarHBondContact O-N 2.84Å; A63-T66 WeakPolarHBondContact CA-OG1 3.01Å; A63-Y67 WeakPolarHBondContact O-CA 3.42Å; A63-Y67 VanDerWaalsContact O-CB 3.27Å; A63-Y67 WeakPolarHBondContact O-CB 3.35Å; A63-Y67 PolarHBondContact O-N 3.05Å; A63-Y67 VanDerWaalsContact O-N 3.1Å; A63-C68 PolarHBondContact O-N 2.75Å |
| 64 | V | 98.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 71.8 Ų | 71.8 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -58.3 | -43.2 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | V13 F15 S31 A62 C68 R69 | V13-V64 HydrophobicContact CB-CG1 3.69Å; V13-V64 HydrophobicContact CG1-CG1 3.82Å; F15-V64 HydrophobicContact CB-CG2 3.95Å; S31-V64 VanDerWaalsContact CB-CG2 3.49Å; A62-V64 PolarHBondContact O-N 3.13Å; A62-V64 VanDerWaalsContact O-N 3.08Å; V64-C68 VanDerWaalsContact O-CB 3.31Å; V64-C68 WeakPolarHBondContact O-CB 3.39Å; V64-R69 VanDerWaalsContact CG1-NH1 3.28Å; V64-R69 PolarHBondContact O-N 2.83Å |
| 65 | D | 98.4 | Very high | 97.9 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -88.5 | -54.4 | -179.8 | -72.2 | -61.9 | 0 | 0 | 0 | 112.1 | A62 A63 Y67 R69 H70 | A62-D65 PolarHBondContact O-N 3.33Å; A63-D65 VanDerWaalsContact C-N 3.26Å; A63-D65 PolarHBondContact O-N 2.84Å; D65-Y67 VanDerWaalsContact C-N 3.29Å; D65-Y67 PolarHBondContact O-N 3.31Å; D65-R69 WeakPolarHBondContact OD1-CD 3.25Å; D65-R69 IonicContact OD1-CZ 3.1Å; D65-R69 IonicContact OD1-NE 2.85Å; D65-R69 IonicContact OD1-NH1 3.91Å; D65-R69 PolarHBondContact OD1-NH1 3.25Å; D65-R69 IonicContact OD2-NH1 2.73Å; D65-R69 PolarHBondContact OD2-NH1 2.98Å; D65-H70 PolarHBondContact O-N 3.2Å; D65-H70 VanDerWaalsContact O-N 3.09Å |
| 66 | T | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 61 Ų | 61 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | I | π-helix | trans | -71.7 | -25.2 | -170.1 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | A62 A63 H70 | A62-T66 HydrophobicContact CB-CG2 4.18Å; A62-T66 PolarHBondContact O-N 2.89Å; A62-T66 PolarHBondContact O-OG1 3.25Å; A62-T66 VanDerWaalsContact O-OG1 3.11Å; A63-T66 WeakPolarHBondContact CA-OG1 3.01Å; T66-H70 WeakPolarHBondContact O-CB 3.3Å |
| 67 | Y | 97.9 | Very high | 97.8 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -111.6 | -61 | 178.5 | -177.1 | -98.9 | 0 | 0 | 0 | 111.7 | F15 A63 D65 N71 | F15-Y67 HydrophobicContact CD2-CD1 4.33Å; F15-Y67 HydrophobicContact CE2-CD1 4.1Å; F15-Y67 HydrophobicContact CE2-CE1 4.49Å; A63-Y67 WeakPolarHBondContact O-CA 3.42Å; A63-Y67 VanDerWaalsContact O-CB 3.27Å; A63-Y67 WeakPolarHBondContact O-CB 3.35Å; A63-Y67 PolarHBondContact O-N 3.05Å; A63-Y67 VanDerWaalsContact O-N 3.1Å; D65-Y67 VanDerWaalsContact C-N 3.29Å; D65-Y67 PolarHBondContact O-N 3.31Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.37Å; Y67-N71 VanDerWaalsContact O-CB 3.27Å; Y67-N71 WeakPolarHBondContact O-CB 3.14Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 PolarHBondContact O-ND2 2.95Å |
| 68 | C | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -68.3 | -57.7 | -172.1 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | C4 F6 V13 F15 A63 V64 H70 N71 Y72 | C4-C68 HydrophobicContact CB-CB 3.66Å; C4-C68 WeakPolarHBondContact CB-SG 3.4Å; C4-C68 WeakPolarHBondContact SG-CA 3.3Å; C4-C68 WeakPolarHBondContact SG-CB 3.45Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 3.31Å; F6-C68 HydrophobicContact CE1-CB 4.18Å; F6-C68 HydrophobicContact CZ-CB 4.01Å; F6-C68 WeakPolarHBondContact CZ-O 3.39Å; V13-C68 HydrophobicContact CG1-CB 3.55Å; F15-C68 VanDerWaalsContact CD2-SG 3.56Å; A63-C68 PolarHBondContact O-N 2.75Å; V64-C68 VanDerWaalsContact O-CB 3.31Å; V64-C68 WeakPolarHBondContact O-CB 3.39Å; C68-H70 VanDerWaalsContact C-N 3.33Å; C68-H70 PolarHBondContact O-N 2.84Å; C68-N71 PolarHBondContact O-N 2.8Å; C68-Y72 WeakPolarHBondContact O-CB 3.46Å; C68-Y72 PolarHBondContact O-N 2.84Å |
| 69 | R | 98.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -64.4 | -39.8 | 179.7 | -69.4 | -170.5 | -175.7 | 92 | 3.2 | 111.8 | T10 V13 V64 D65 Y72 G73 | T10-R69 HydrophobicContact CG2-CG 4.48Å; T10-R69 PolarHBondContact O-NE 3.45Å; V13-R69 HydrophobicContact CG2-CG 4Å; V64-R69 VanDerWaalsContact CG1-NH1 3.28Å; V64-R69 PolarHBondContact O-N 2.83Å; D65-R69 WeakPolarHBondContact OD1-CD 3.25Å; D65-R69 IonicContact OD1-CZ 3.1Å; D65-R69 IonicContact OD1-NE 2.85Å; D65-R69 IonicContact OD1-NH1 3.91Å; D65-R69 PolarHBondContact OD1-NH1 3.25Å; D65-R69 IonicContact OD2-NH1 2.73Å; D65-R69 PolarHBondContact OD2-NH1 2.98Å; R69-Y72 PolarHBondContact O-N 2.02Å; R69-G73 PolarHBondContact O-N 2.86Å |
| 70 | H | 97.8 | Very high | 97.5 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56 | -55.6 | 174.6 | -179.9 | 74.6 | 0 | 0 | 0 | 112.1 | D65 T66 C68 Y72 G73 V74 | D65-H70 PolarHBondContact O-N 3.2Å; D65-H70 VanDerWaalsContact O-N 3.09Å; T66-H70 WeakPolarHBondContact O-CB 3.3Å; C68-H70 VanDerWaalsContact C-N 3.33Å; C68-H70 PolarHBondContact O-N 2.84Å; H70-Y72 VanDerWaalsContact C-N 3.33Å; H70-Y72 PolarHBondContact O-N 2.8Å; H70-G73 PolarHBondContact O-N 3.02Å; H70-V74 WeakPolarHBondContact O-CG2 3.38Å; H70-V74 PolarHBondContact O-N 3.01Å |
| 71 | N | 98.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 40% | 0.401 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -33 | -179.3 | -76.4 | -71.7 | 0 | 0 | 0 | 112.5 | Y67 C68 V74 G75 | Y67-N71 WeakPolarHBondContact CD2-ND2 3.37Å; Y67-N71 VanDerWaalsContact O-CB 3.27Å; Y67-N71 WeakPolarHBondContact O-CB 3.14Å; Y67-N71 PolarHBondContact O-N 3.45Å; Y67-N71 PolarHBondContact O-ND2 2.95Å; C68-N71 PolarHBondContact O-N 2.8Å; N71-V74 PolarHBondContact O-N 3.03Å; N71-G75 PolarHBondContact O-N 2.88Å |
| 72 | Y | 98 | Very high | 97.4 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 14% | 0.137 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.1 | -51.2 | 171.3 | -175.1 | -77 | 0 | 0 | 0 | 110.3 | F6 T10 C68 R69 H70 V74 G75 E76 V80 | F6-Y72 HydrophobicContact CB-CE2 4.47Å; F6-Y72 AromaticContact CD1-CD2 3.55Å; F6-Y72 HydrophobicContact CD1-CD2 3.55Å; F6-Y72 HydrophobicContact CD1-CE2 4.13Å; F6-Y72 HydrophobicContact CD1-CG 4.24Å; F6-Y72 HydrophobicContact CD2-CD2 4.08Å; F6-Y72 AromaticContact CE1-CD2 3.57Å; F6-Y72 HydrophobicContact CE1-CD2 3.57Å; F6-Y72 AromaticContact CE1-CG 3.92Å; F6-Y72 HydrophobicContact CE1-CG 3.92Å; F6-Y72 HydrophobicContact CE2-CD2 4.08Å; F6-Y72 AromaticContact CG-CD2 3.82Å; F6-Y72 HydrophobicContact CG-CD2 3.82Å; F6-Y72 HydrophobicContact CG-CE2 4.15Å; F6-Y72 AromaticContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å; T10-Y72 HydrophobicContact CG2-CD1 3.36Å; T10-Y72 HydrophobicContact CG2-CD2 4.12Å; T10-Y72 HydrophobicContact CG2-CE1 3.7Å; T10-Y72 HydrophobicContact CG2-CE2 4.38Å; T10-Y72 HydrophobicContact CG2-CG 3.6Å; C68-Y72 WeakPolarHBondContact O-CB 3.46Å; C68-Y72 PolarHBondContact O-N 2.84Å; R69-Y72 PolarHBondContact O-N 2.02Å; H70-Y72 VanDerWaalsContact C-N 3.33Å; H70-Y72 PolarHBondContact O-N 2.8Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 2.93Å; Y72-G75 CarbonylContact O-C 3.5Å; Y72-G75 PolarHBondContact O-N 2.99Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; Y72-E76 HydrophobicContact CD1-CB 4.35Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 HydrophobicContact CE1-CG 3.87Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y72-E76 WeakPolarHBondContact O-CA 3.4Å; Y72-E76 VanDerWaalsContact O-CB 3.27Å; Y72-E76 WeakPolarHBondContact O-CB 2.88Å; Y72-E76 PolarHBondContact O-N 2.92Å; Y72-V80 HydrophobicContact CE2-CG2 3.77Å |
| 73 | G | 97.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R69 H70 | R69-G73 PolarHBondContact O-N 2.86Å; H70-G73 PolarHBondContact O-N 3.02Å |
| 74 | V | 97.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 69 Ų | 69 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 173.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | H70 N71 Y72 F78 | H70-V74 WeakPolarHBondContact O-CG2 3.38Å; H70-V74 PolarHBondContact O-N 3.01Å; N71-V74 PolarHBondContact O-N 3.03Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 2.93Å; V74-F78 VanDerWaalsContact O-CE1 3.25Å; V74-F78 WeakPolarHBondContact O-CE1 3.4Å |
| 75 | G | 96.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 74.4 Ų | 74.4 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -86.3 | -16.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N71 Y72 S77 F78 T79 | N71-G75 PolarHBondContact O-N 2.88Å; Y72-G75 CarbonylContact O-C 3.5Å; Y72-G75 PolarHBondContact O-N 2.99Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; G75-S77 VanDerWaalsContact C-N 3.31Å; G75-S77 PolarHBondContact O-N 2.91Å; G75-F78 VanDerWaalsContact CA-CZ 3.47Å; G75-F78 PolarHBondContact O-N 2.94Å; G75-T79 WeakPolarHBondContact O-CB 3.27Å; G75-T79 PolarHBondContact O-N 2.89Å; G75-T79 PolarHBondContact O-OG1 2.93Å |
| 76 | E | 96.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.1 | -45.3 | -165.2 | -173.7 | 175.6 | -150.4 | 0 | 0 | 112.3 | Y72 F78 T79 V80 Q81 | Y72-E76 HydrophobicContact CD1-CB 4.35Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 HydrophobicContact CE1-CG 3.87Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y72-E76 WeakPolarHBondContact O-CA 3.4Å; Y72-E76 VanDerWaalsContact O-CB 3.27Å; Y72-E76 WeakPolarHBondContact O-CB 2.88Å; Y72-E76 PolarHBondContact O-N 2.92Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.03Å; E76-T79 PolarHBondContact O-N 3.13Å; E76-V80 HydrophobicContact CG-CB 4.08Å; E76-V80 PolarHBondContact O-N 2.87Å; E76-Q81 HydrophobicContact CG-CG 4.09Å; E76-Q81 PolarHBondContact O-N 2.98Å |
| 77 | S | 96 | Very high | 97.4 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -35.3 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | G75 | G75-S77 VanDerWaalsContact C-N 3.31Å; G75-S77 PolarHBondContact O-N 2.91Å |
| 78 | F | 95 | Very high | 97.4 | Very high | 119 Ų | 119 | 69.5 Ų | 69.5 | 52% | 0.522 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -109.3 | -2.9 | -175.6 | 59.3 | -97.4 | 0 | 0 | 0 | 114.3 | V74 G75 E76 R82 | V74-F78 VanDerWaalsContact O-CE1 3.25Å; V74-F78 WeakPolarHBondContact O-CE1 3.4Å; G75-F78 VanDerWaalsContact CA-CZ 3.47Å; G75-F78 PolarHBondContact O-N 2.94Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.03Å; F78-R82 WeakPolarHBondContact O-CB 3.4Å; F78-R82 WeakPolarHBondContact O-CD 3.26Å |
| 79 | T | 96.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -115.5 | -63 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | G75 E76 Y112 W142 | G75-T79 WeakPolarHBondContact O-CB 3.27Å; G75-T79 PolarHBondContact O-N 2.89Å; G75-T79 PolarHBondContact O-OG1 2.93Å; E76-T79 PolarHBondContact O-N 3.13Å; T79-Y112 VanDerWaalsContact O-CE1 3.23Å; T79-Y112 WeakPolarHBondContact O-CE1 3.35Å; T79-Y112 PolarHBondContact O-OH 3.31Å; T79-W142 HydrophobicContact CG2-CH2 3.93Å; T79-W142 HydrophobicContact CG2-CZ3 3.92Å |
| 80 | V | 96 | Very high | 97.3 | Very high | 59 Ų | 59 | 69.7 Ų | 69.7 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -42.8 | -174.5 | 179 | 0 | 0 | 0 | 0 | 111.4 | Y72 E76 R82 R83 | Y72-V80 HydrophobicContact CE2-CG2 3.77Å; E76-V80 HydrophobicContact CG-CB 4.08Å; E76-V80 PolarHBondContact O-N 2.87Å; V80-R82 VanDerWaalsContact C-N 3.34Å; V80-R83 PolarHBondContact O-NH1 3.49Å |
| 81 | Q | 96.4 | Very high | 97 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -85.5 | -9.7 | -179 | -65.1 | 175.5 | 5.7 | 0 | 0 | 112.7 | E76 R83 | E76-Q81 HydrophobicContact CG-CG 4.09Å; E76-Q81 PolarHBondContact O-N 2.98Å; Q81-R83 PolarHBondContact O-N 2.99Å |
| 82 | R | 97.6 | Very high | 96.6 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | trans | -58.1 | 130.4 | 177.6 | 177.6 | -179 | 174.9 | 80.9 | -1.9 | 110.5 | F78 V80 V84 Y112 | F78-R82 WeakPolarHBondContact O-CB 3.4Å; F78-R82 WeakPolarHBondContact O-CD 3.26Å; V80-R82 VanDerWaalsContact C-N 3.34Å; R82-V84 HydrophobicContact CG-CG2 4.37Å; R82-Y112 HydrophobicContact CB-CD1 3.91Å; R82-Y112 HydrophobicContact CB-CE1 3.75Å; R82-Y112 HydrophobicContact CG-CD1 3.66Å; R82-Y112 HydrophobicContact CG-CE1 3.96Å; R82-Y112 HydrophobicContact CG-CG 4.39Å; R82-Y112 VanDerWaalsContact O-CD1 3.3Å; R82-Y112 WeakPolarHBondContact O-CD1 3.3Å | ||
| 83 | R | 98.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 68 Ų | 68 | 44% | 0.438 | 36% | 0.359 | S | S | . | . | trans | -132.5 | 131.7 | 174.7 | -63.8 | -61.9 | 176.9 | -90.4 | -2.6 | 108.7 | V80 Q81 Y112 | V80-R83 PolarHBondContact O-NH1 3.49Å; Q81-R83 PolarHBondContact O-N 2.99Å; R83-Y112 CarbonylContact C-O 3.59Å; R83-Y112 WeakPolarHBondContact CA-O 3.47Å | ||
| 84 | V | 98.3 | Very high | 95 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 125.8 | 174.8 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | R82 G110 F111 Y112 H166 | R82-V84 HydrophobicContact CG-CG2 4.37Å; V84-G110 WeakPolarHBondContact CG1-O 3.13Å; V84-F111 WeakPolarHBondContact O-CA 3.23Å; V84-Y112 PolarHBondContact N-O 2.71Å; V84-Y112 PolarHBondContact O-N 2.64Å; V84-Y112 VanDerWaalsContact O-N 3.14Å; V84-H166 PolarHBondContact O-CE1 2.76Å |
| 85 | E | 98.4 | Very high | 93.5 | Very high | 129 Ų | 129 | 76.3 Ų | 76.3 | 60% | 0.603 | 38% | 0.382 | S | S | * | . | trans | -70.4 | 138.6 | -176.9 | -63.5 | -177.9 | -169.1 | 0 | 0 | 112.7 | S168 V169 | E85-S168 VanDerWaalsContact CA-OG 3.25Å; E85-S168 WeakPolarHBondContact CA-OG 3.39Å; E85-S168 WeakPolarHBondContact CG-OG 3.4Å; E85-V169 HydrophobicContact CB-CG1 4.36Å; E85-V169 HydrophobicContact CG-CG1 3.77Å | ||
| 86 | P | 98.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 80 Ų | 80 | 7% | 0.065 | 40% | 0.398 | C | S | . | . | trans | -71.2 | 139.2 | 174.6 | 20.3 | -23.2 | 0 | 0 | 0 | 112 | V88 V108 F111 V164 H166 L173 | P86-V88 HydrophobicContact CB-CG2 4.41Å; P86-V108 HydrophobicContact CB-CG1 3.49Å; P86-V108 VanDerWaalsContact CB-CG1 3.49Å; P86-V108 HydrophobicContact CG-CG1 4.36Å; P86-F111 HydrophobicContact CB-CB 3.73Å; P86-F111 HydrophobicContact CB-CD1 4.07Å; P86-F111 HydrophobicContact CB-CG 4.18Å; P86-F111 HydrophobicContact CG-CB 4.24Å; P86-V164 HydrophobicContact CG-CG1 4.05Å; P86-H166 HydrophobicContact CG-CB 4.1Å; P86-L173 HydrophobicContact CG-CD1 3.81Å | ||
| 87 | K | 98.3 | Very high | 90.1 | Very high | 154 Ų | 154 | 79.6 Ų | 79.6 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.6 | 161.6 | -174.8 | 176.6 | -179.9 | 178.7 | 0 | 109.1 | N109 | K87-N109 PolarHBondContact N-O 2.87Å; K87-N109 PolarHBondContact O-N 2.85Å |
| 88 | V | 98.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128 | -179.3 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | P86 S107 V108 V164 L173 V175 | P86-V88 HydrophobicContact CB-CG2 4.41Å; V88-S107 CarbonylContact C-O 3.54Å; V88-S107 WeakPolarHBondContact CA-O 3.37Å; V88-V108 HydrophobicContact CG1-CG2 4.44Å; V88-V108 HydrophobicContact CG2-CG1 4.41Å; V88-V164 HydrophobicContact CG1-CG2 4.01Å; V88-V164 HydrophobicContact CG2-CB 4.16Å; V88-V164 HydrophobicContact CG2-CG2 3.73Å; V88-L173 HydrophobicContact CG2-CB 4.29Å; V88-L173 HydrophobicContact CG2-CD1 3.91Å; V88-V175 HydrophobicContact CB-CG2 3.77Å; V88-V175 HydrophobicContact CG1-CB 4.14Å; V88-V175 HydrophobicContact CG1-CG2 3.61Å |
| 89 | T | 97.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.1 | 170.9 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | C106 S107 | T89-C106 WeakPolarHBondContact O-CA 3.39Å; T89-S107 PolarHBondContact N-O 3.41Å; T89-S107 PolarHBondContact O-N 3.03Å |
| 90 | V | 96.4 | Very high | 85.4 | Confident | 23 Ų | 23 | 83.6 Ų | 83.6 | 14% | 0.139 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | V105 C106 W120 C162 V175 W177 | V90-V105 VanDerWaalsContact CA-O 3.32Å; V90-V105 WeakPolarHBondContact CA-O 3.38Å; V90-C106 HydrophobicContact CG2-CB 4.3Å; V90-W120 HydrophobicContact CG1-CH2 3.59Å; V90-W120 HydrophobicContact CG1-CZ3 4.18Å; V90-W120 HydrophobicContact CG2-CH2 4.33Å; V90-C162 HydrophobicContact CG2-CB 3.57Å; V90-V175 HydrophobicContact CB-CG1 3.95Å; V90-V175 HydrophobicContact CG2-CB 3.86Å; V90-V175 HydrophobicContact CG2-CG1 3.65Å; V90-W177 HydrophobicContact CB-CB 4.28Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 4.1Å |
| 91 | Y | 91.6 | Very high | 84.2 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 152.6 | 179.4 | 58 | -86.8 | 0 | 0 | 0 | 111.2 | V105 | Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.3Å; Y91-V105 HydrophobicContact CE1-CG1 4.2Å; Y91-V105 HydrophobicContact CE2-CB 3.89Å; Y91-V105 HydrophobicContact CE2-CG1 4.21Å; Y91-V105 HydrophobicContact CE2-CG2 4.16Å; Y91-V105 PolarHBondContact N-O 2.61Å; Y91-V105 PolarHBondContact O-N 3.32Å |
| 92 | P | 90.8 | Very high | 83.3 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 138.7 | 170.9 | 32.7 | -33.4 | 0 | 0 | 0 | 109.7 | R94 L104 W177 | P92-R94 WeakPolarHBondContact CB-O 3.36Å; P92-R94 PolarHBondContact O-N 3.41Å; P92-L104 HydrophobicContact CB-CD2 4.04Å; P92-W177 HydrophobicContact CB-CZ2 4.48Å; P92-W177 HydrophobicContact CG-CZ2 4.34Å |
| 93 | A | 85.8 | Confident | 83 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -62.4 | -28 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L103 V105 | A93-L103 HydrophobicContact CB-CB 3.88Å; A93-L103 HydrophobicContact CB-CD2 4.17Å; A93-L103 HydrophobicContact CB-CG 4.41Å; A93-L103 WeakPolarHBondContact CB-O 3.38Å; A93-L103 PolarHBondContact N-O 3.15Å; A93-V105 HydrophobicContact CB-CG2 4.03Å |
| 94 | R | 75.9 | Confident | 82.8 | Confident | 164 Ų | 164 | 76.8 Ų | 76.8 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -133.6 | 142.3 | 172.6 | -59.8 | -173 | -178.8 | -177.8 | 0.8 | 110.5 | P92 Q96 N102 | P92-R94 WeakPolarHBondContact CB-O 3.36Å; P92-R94 PolarHBondContact O-N 3.41Å; R94-Q96 HydrophobicContact CB-CG 4.04Å; R94-Q96 PolarHBondContact O-N 3.28Å; R94-N102 PolarHBondContact O-ND2 2.87Å; R94-N102 VanDerWaalsContact O-ND2 3.11Å; R94-N102 PolarHBondContact O-OD1 2.81Å |
| 95 | T | 64.3 | Low | 82.7 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | trans | -74.6 | 21.3 | 174.5 | 45.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 96 | Q | 61.6 | Low | 82.7 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | trans | -67.8 | 159.3 | -176.4 | -71.9 | -177.2 | 10 | 0 | 0 | 112.3 | R94 | R94-Q96 HydrophobicContact CB-CG 4.04Å; R94-Q96 PolarHBondContact O-N 3.28Å | ||
| 97 | T | 61.1 | Low | 82.7 | Confident | 55 Ų | 55 | 69 Ų | 69 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -58.4 | 146.9 | -178.9 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | Q99 H100 | T97-Q99 PolarHBondContact O-N 2.84Å; T97-H100 PolarHBondContact O-N 2.87Å; T97-H100 VanDerWaalsContact O-N 3.09Å; T97-H100 PolarHBondContact OG1-ND1 3.13Å | ||
| 98 | L | 61.5 | Low | 82.7 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -15.6 | -178.4 | -70.4 | 175.6 | 0 | 0 | 0 | 115.2 | P154 A179 Q180 | L98-P154 WeakPolarHBondContact CB-O 3.45Å; L98-P154 HydrophobicContact CD2-CB 3.97Å; L98-A179 HydrophobicContact CD2-CB 3.72Å; L98-Q180 VanDerWaalsContact CD1-O 3.31Å; L98-Q180 WeakPolarHBondContact CD1-O 3.37Å |
| 99 | Q | 59.1 | Low | 82.7 | Confident | 173 Ų | 173 | 63 Ų | 63 | 81% | 0.808 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.4 | -177.8 | -69.5 | 176.6 | -14.8 | 0 | 0 | 114 | T97 | T97-Q99 PolarHBondContact O-N 2.84Š|
| 100 | H | 67.3 | Low | 82.7 | Confident | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -105.6 | 156 | 179 | -67.2 | 84.5 | 0 | 0 | 0 | 111.8 | T97 N102 | T97-H100 PolarHBondContact O-N 2.87Å; T97-H100 VanDerWaalsContact O-N 3.09Å; T97-H100 PolarHBondContact OG1-ND1 3.13Å; H100-N102 PolarHBondContact O-N 2.82Å |
| 101 | H | 70.6 | Confident | 82.8 | Confident | 162 Ų | 162 | 60.5 Ų | 60.5 | 75% | 0.75 | 31% | 0.31 | S | S | * | . | trans | -53.2 | 123.8 | 168.3 | -72.6 | -79.2 | 0 | 0 | 0 | 109.7 | V153 | H101-V153 WeakPolarHBondContact ND1-CG2 3.42Š| ||
| 102 | N | 79 | Confident | 83.1 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.6 | 178.1 | -151.4 | -23.1 | 0 | 0 | 0 | 109.3 | R94 H100 T152 P154 | R94-N102 PolarHBondContact O-ND2 2.87Å; R94-N102 VanDerWaalsContact O-ND2 3.11Å; R94-N102 PolarHBondContact O-OD1 2.81Å; H100-N102 PolarHBondContact O-N 2.82Å; N102-T152 PolarHBondContact N-O 3.42Å; N102-T152 PolarHBondContact O-N 2.03Å; N102-P154 HydrophobicContact CB-CG 4.21Å |
| 103 | L | 89.4 | Confident | 83.5 | Confident | 50 Ų | 50 | 57 Ų | 57 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 107.8 | 176.2 | -172 | 72.4 | 0 | 0 | 0 | 106.7 | A93 M149 E151 | A93-L103 HydrophobicContact CB-CB 3.88Å; A93-L103 HydrophobicContact CB-CD2 4.17Å; A93-L103 HydrophobicContact CB-CG 4.41Å; A93-L103 WeakPolarHBondContact CB-O 3.38Å; A93-L103 PolarHBondContact N-O 3.15Å; L103-M149 HydrophobicContact CD1-CB 3.81Å; L103-M149 HydrophobicContact CD2-CB 4.32Å; L103-M149 HydrophobicContact CD2-CG 4.36Å; L103-M149 HydrophobicContact CD2-SD 3.94Å; L103-M149 HydrophobicContact CG-CB 4.05Å; L103-E151 HydrophobicContact CD1-CB 4.48Å; L103-E151 HydrophobicContact CD1-CG 3.52Å |
| 104 | L | 93.9 | Very high | 84 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.6 | 171.7 | -67.2 | 179.1 | 0 | 0 | 0 | 108.6 | P92 W120 M149 L150 T152 Y160 W177 | P92-L104 HydrophobicContact CB-CD2 4.04Å; L104-W120 HydrophobicContact CB-CH2 3.78Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; L104-M149 CarbonylContact O-C 3.56Å; L104-M149 VanDerWaalsContact O-CA 3.24Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 3.25Å; L104-L150 PolarHBondContact O-N 2.85Å; L104-T152 HydrophobicContact CD1-CG2 4.07Å; L104-T152 HydrophobicContact CG-CG2 4.27Å; L104-Y160 HydrophobicContact CD1-CD1 3.65Å; L104-Y160 HydrophobicContact CD1-CD2 3.81Å; L104-Y160 HydrophobicContact CD1-CE1 4.07Å; L104-Y160 HydrophobicContact CD1-CE2 4.24Å; L104-Y160 HydrophobicContact CD1-CG 3.47Å; L104-Y160 VanDerWaalsContact CD1-CG 3.47Å; L104-W177 HydrophobicContact CD1-CD2 4.46Å; L104-W177 HydrophobicContact CD1-CE3 3.76Å; L104-W177 HydrophobicContact CD1-CZ3 4.01Å; L104-W177 HydrophobicContact CD2-CD2 3.75Å; L104-W177 HydrophobicContact CD2-CE3 3.71Å; L104-W177 HydrophobicContact CD2-CG 4.42Å; L104-W177 HydrophobicContact CD2-CH2 3.99Å; L104-W177 HydrophobicContact CD2-CZ2 4.03Å; L104-W177 HydrophobicContact CD2-CZ3 3.83Å; L104-W177 HydrophobicContact CG-CE3 4.41Å |
| 105 | V | 96.6 | Very high | 85 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.8 | -177.5 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | V90 Y91 A93 L147 M149 | V90-V105 VanDerWaalsContact CA-O 3.32Å; V90-V105 WeakPolarHBondContact CA-O 3.38Å; Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.3Å; Y91-V105 HydrophobicContact CE1-CG1 4.2Å; Y91-V105 HydrophobicContact CE2-CB 3.89Å; Y91-V105 HydrophobicContact CE2-CG1 4.21Å; Y91-V105 HydrophobicContact CE2-CG2 4.16Å; Y91-V105 PolarHBondContact N-O 2.61Å; Y91-V105 PolarHBondContact O-N 3.32Å; A93-V105 HydrophobicContact CB-CG2 4.03Å; V105-L147 HydrophobicContact CG1-CB 4.47Å; V105-L147 HydrophobicContact CG1-CD2 4.32Å; V105-M149 HydrophobicContact CG1-CG 4.36Å; V105-M149 HydrophobicContact CG2-CG 4.28Å |
| 106 | C | 98.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 106.3 | 163.1 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | T89 V90 W120 L147 V148 C162 | T89-C106 WeakPolarHBondContact O-CA 3.39Å; V90-C106 HydrophobicContact CG2-CB 4.3Å; C106-W120 HydrophobicContact CB-CH2 4.23Å; C106-W120 HydrophobicContact CB-CZ2 3.58Å; C106-L147 WeakPolarHBondContact O-CA 3.46Å; C106-V148 WeakPolarHBondContact CB-O 3.43Å; C106-V148 PolarHBondContact N-O 2.95Å; C106-V148 PolarHBondContact O-N 2.8Å; C106-C162 HydrophobicContact CB-CB 3.61Å; C106-C162 WeakPolarHBondContact CB-SG 3.34Å; C106-C162 WeakPolarHBondContact SG-CB 3.25Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.33Å |
| 107 | S | 98.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.7 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 109 | V88 T89 N109 L147 | V88-S107 CarbonylContact C-O 3.54Å; V88-S107 WeakPolarHBondContact CA-O 3.37Å; T89-S107 PolarHBondContact N-O 3.41Å; T89-S107 PolarHBondContact O-N 3.03Å; S107-N109 PolarHBondContact OG-ND2 2.72Å; S107-N109 PolarHBondContact OG-OD1 3.47Å; S107-L147 WeakPolarHBondContact OG-CD2 3.42Å |
| 108 | V | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 107.9 | -179.1 | -171.2 | 0 | 0 | 0 | 0 | 107.5 | P86 V88 F111 I116 V118 Q145 T146 V164 | P86-V108 HydrophobicContact CB-CG1 3.49Å; P86-V108 VanDerWaalsContact CB-CG1 3.49Å; P86-V108 HydrophobicContact CG-CG1 4.36Å; V88-V108 HydrophobicContact CG1-CG2 4.44Å; V88-V108 HydrophobicContact CG2-CG1 4.41Å; V108-F111 HydrophobicContact CB-CE1 4.4Å; V108-F111 HydrophobicContact CG1-CD1 3.94Å; V108-F111 HydrophobicContact CG1-CE1 3.94Å; V108-F111 WeakPolarHBondContact O-CE1 3.39Å; V108-I116 HydrophobicContact CG1-CD1 3.52Å; V108-V118 HydrophobicContact CG2-CG1 4.3Å; V108-V118 HydrophobicContact CG2-CG2 4.08Å; V108-Q145 CarbonylContact O-C 3.57Å; V108-Q145 VanDerWaalsContact O-CA 3.3Å; V108-Q145 WeakPolarHBondContact O-CA 3.1Å; V108-T146 HydrophobicContact CB-CG2 4.01Å; V108-T146 PolarHBondContact N-O 3.31Å; V108-T146 PolarHBondContact O-N 3.35Å; V108-V164 HydrophobicContact CG1-CG1 4.05Å; V108-V164 HydrophobicContact CG1-CG2 4.38Å; V108-V164 HydrophobicContact CG2-CG2 3.8Å |
| 109 | N | 98.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.5 | -166.9 | -61.3 | -25.2 | 0 | 0 | 0 | 112.6 | K87 S107 Q145 | K87-N109 PolarHBondContact N-O 2.87Å; K87-N109 PolarHBondContact O-N 2.85Å; S107-N109 PolarHBondContact OG-ND2 2.72Å; S107-N109 PolarHBondContact OG-OD1 3.47Å; N109-Q145 HydrophobicContact CB-CB 4.42Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.28Å |
| 110 | G | 98.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 20.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V84 F144 | V84-G110 WeakPolarHBondContact CG1-O 3.13Å; G110-F144 PolarHBondContact N-O 3Å |
| 111 | F | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 159.8 | -175 | 62.5 | -88.3 | 0 | 0 | 0 | 113.3 | V84 P86 V108 P113 I116 L136 T143 F144 T146 H166 | V84-F111 WeakPolarHBondContact O-CA 3.23Å; P86-F111 HydrophobicContact CB-CB 3.73Å; P86-F111 HydrophobicContact CB-CD1 4.07Å; P86-F111 HydrophobicContact CB-CG 4.18Å; P86-F111 HydrophobicContact CG-CB 4.24Å; V108-F111 HydrophobicContact CB-CE1 4.4Å; V108-F111 HydrophobicContact CG1-CD1 3.94Å; V108-F111 HydrophobicContact CG1-CE1 3.94Å; V108-F111 WeakPolarHBondContact O-CE1 3.39Å; F111-P113 WeakPolarHBondContact CD2-O 3.31Å; F111-I116 HydrophobicContact CD1-CD1 3.99Å; F111-I116 HydrophobicContact CD2-CB 4.49Å; F111-I116 HydrophobicContact CD2-CD1 3.89Å; F111-I116 HydrophobicContact CE1-CD1 3.79Å; F111-I116 HydrophobicContact CE2-CB 3.88Å; F111-I116 HydrophobicContact CE2-CD1 3.69Å; F111-I116 HydrophobicContact CE2-CG1 4.39Å; F111-I116 HydrophobicContact CE2-CG2 3.82Å; F111-I116 HydrophobicContact CG-CD1 4.04Å; F111-I116 HydrophobicContact CZ-CB 4.27Å; F111-I116 HydrophobicContact CZ-CD1 3.65Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; F111-L136 HydrophobicContact CE2-CD1 3.83Å; F111-L136 HydrophobicContact CZ-CD1 3.67Å; F111-T143 CarbonylContact O-C 3.6Å; F111-T143 WeakPolarHBondContact O-CA 3.25Å; F111-F144 WeakPolarHBondContact CD1-O 3.5Å; F111-F144 HydrophobicContact CD2-CB 4.12Å; F111-F144 HydrophobicContact CE1-CB 4.24Å; F111-F144 HydrophobicContact CE2-CB 3.69Å; F111-F144 HydrophobicContact CZ-CB 3.75Å; F111-F144 PolarHBondContact N-O 2.85Å; F111-F144 PolarHBondContact O-N 2.73Å; F111-T146 HydrophobicContact CE1-CG2 4.33Å; F111-T146 HydrophobicContact CZ-CG2 4.29Å; F111-H166 AromaticContact CD2-CD2 3.85Å; F111-H166 AromaticContact CD2-NE2 3.69Å |
| 112 | Y | 98.5 | Very high | 96.5 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -156.1 | 138.6 | 172.3 | -177 | -79.2 | 0 | 0 | 0 | 109.7 | T79 R82 R83 V84 W142 F144 H166 | T79-Y112 VanDerWaalsContact O-CE1 3.23Å; T79-Y112 WeakPolarHBondContact O-CE1 3.35Å; T79-Y112 PolarHBondContact O-OH 3.31Å; R82-Y112 HydrophobicContact CB-CD1 3.91Å; R82-Y112 HydrophobicContact CB-CE1 3.75Å; R82-Y112 HydrophobicContact CG-CD1 3.66Å; R82-Y112 HydrophobicContact CG-CE1 3.96Å; R82-Y112 HydrophobicContact CG-CG 4.39Å; R82-Y112 VanDerWaalsContact O-CD1 3.3Å; R82-Y112 WeakPolarHBondContact O-CD1 3.3Å; R83-Y112 CarbonylContact C-O 3.59Å; R83-Y112 WeakPolarHBondContact CA-O 3.47Å; V84-Y112 PolarHBondContact N-O 2.71Å; V84-Y112 PolarHBondContact O-N 2.64Å; V84-Y112 VanDerWaalsContact O-N 3.14Å; Y112-W142 WeakPolarHBondContact CB-O 3.41Å; Y112-W142 WeakPolarHBondContact CD2-O 3.21Å; Y112-W142 HydrophobicContact CE2-CE3 4.17Å; Y112-F144 HydrophobicContact CD2-CD2 4.12Å; Y112-F144 AromaticContact CD2-CE2 3.58Å; Y112-F144 HydrophobicContact CD2-CE2 3.58Å; Y112-F144 AromaticContact CE2-CE2 3.96Å; Y112-F144 HydrophobicContact CE2-CE2 3.96Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; Y112-H166 PolarHBondContact O-CE1 3.27Å |
| 113 | P | 98.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -74.9 | 179.4 | 3.8 | 33.1 | -38.8 | 0 | 0 | 0 | 113.3 | F111 S115 H166 P167 | F111-P113 WeakPolarHBondContact CD2-O 3.31Å; P113-S115 PolarHBondContact O-N 3.03Å; P113-H166 PolarHBondContact O-NE2 3.29Å; P113-P167 HydrophobicContact CG-CG 4.43Å |
| 114 | G | 97.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -71.3 | -12.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I116 L136 F144 | G114-I116 PolarHBondContact O-N 3.03Å; G114-L136 WeakPolarHBondContact O-CD1 3.49Å; G114-F144 VanDerWaalsContact N-CE2 3.28Å |
| 115 | S | 96.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | trans | -71.1 | 113 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | P113 H166 P167 | P113-S115 PolarHBondContact O-N 3.03Å; S115-H166 PolarHBondContact O-CD2 2.94Å; S115-H166 VanDerWaalsContact O-CD2 3.31Å; S115-P167 VanDerWaalsContact O-CD 3.3Å; S115-P167 WeakPolarHBondContact O-CD 3.36Å | ||
| 116 | I | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 47 Ų | 47 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | trans | -148.2 | 147.7 | -176.2 | -164.4 | 166 | 0 | 0 | 0 | 110.3 | V108 F111 G114 V118 T146 V164 E165 H166 | V108-I116 HydrophobicContact CG1-CD1 3.52Å; F111-I116 HydrophobicContact CD1-CD1 3.99Å; F111-I116 HydrophobicContact CD2-CB 4.49Å; F111-I116 HydrophobicContact CD2-CD1 3.89Å; F111-I116 HydrophobicContact CE1-CD1 3.79Å; F111-I116 HydrophobicContact CE2-CB 3.88Å; F111-I116 HydrophobicContact CE2-CD1 3.69Å; F111-I116 HydrophobicContact CE2-CG1 4.39Å; F111-I116 HydrophobicContact CE2-CG2 3.82Å; F111-I116 HydrophobicContact CG-CD1 4.04Å; F111-I116 HydrophobicContact CZ-CB 4.27Å; F111-I116 HydrophobicContact CZ-CD1 3.65Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; G114-I116 PolarHBondContact O-N 3.03Å; I116-V118 HydrophobicContact CD1-CG2 4.25Å; I116-V118 HydrophobicContact CG1-CG2 4.11Å; I116-T146 HydrophobicContact CG2-CG2 4.49Å; I116-V164 HydrophobicContact CD1-CG1 3.69Å; I116-V164 HydrophobicContact CG1-CG1 3.92Å; I116-E165 WeakPolarHBondContact CG1-O 3.11Å; I116-H166 HydrophobicContact CD1-CB 4.5Å; I116-H166 HydrophobicContact CG1-CB 4.27Å | ||
| 117 | E | 98.3 | Very high | 97.5 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.5 | 170.1 | -172.8 | 178.6 | 162.5 | 0 | 0 | 109.3 | R119 V164 E165 | E117-R119 HydrophobicContact CG-CG 4.32Å; E117-R119 WeakPolarHBondContact OE1-CD 3.49Å; E117-R119 IonicContact OE1-CZ 3.56Å; E117-R119 IonicContact OE1-NE 2.72Å; E117-R119 IonicContact OE1-NH1 3.41Å; E117-R119 PolarHBondContact OE1-NH1 3.39Å; E117-R119 IonicContact OE2-NH1 3.44Å; E117-V164 CarbonylContact O-C 3.6Å; E117-V164 WeakPolarHBondContact O-CA 3.3Å; E117-E165 HydrophobicContact CB-CB 4.25Å; E117-E165 PolarHBondContact N-O 2.85Å; E117-E165 PolarHBondContact O-N 3.16Å |
| 118 | V | 98.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.9 | -178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | V108 I116 T146 V148 Q163 V164 | V108-V118 HydrophobicContact CG2-CG1 4.3Å; V108-V118 HydrophobicContact CG2-CG2 4.08Å; I116-V118 HydrophobicContact CD1-CG2 4.25Å; I116-V118 HydrophobicContact CG1-CG2 4.11Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; V118-V148 HydrophobicContact CB-CB 4.47Å; V118-V148 HydrophobicContact CB-CG2 3.73Å; V118-V148 HydrophobicContact CG1-CB 3.81Å; V118-V148 HydrophobicContact CG1-CG1 4.3Å; V118-V148 HydrophobicContact CG1-CG2 3.57Å; V118-V148 HydrophobicContact CG2-CG2 4.31Å; V118-Q163 WeakPolarHBondContact CA-O 3.36Å; V118-V164 HydrophobicContact CG1-CG2 4.19Å; V118-V164 HydrophobicContact CG2-CG1 4.34Å; V118-V164 HydrophobicContact CG2-CG2 4.2Å |
| 119 | R | 98.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 59 Ų | 59 | 21% | 0.211 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.6 | -176.6 | -65.1 | -174.7 | -64.4 | -133 | 4.8 | 111.2 | E117 F121 E126 Q163 E165 | E117-R119 HydrophobicContact CG-CG 4.32Å; E117-R119 WeakPolarHBondContact OE1-CD 3.49Å; E117-R119 IonicContact OE1-CZ 3.56Å; E117-R119 IonicContact OE1-NE 2.72Å; E117-R119 IonicContact OE1-NH1 3.41Å; E117-R119 PolarHBondContact OE1-NH1 3.39Å; E117-R119 IonicContact OE2-NH1 3.44Å; R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.76Å; R119-F121 HydrophobicContact CB-CZ 4.49Å; R119-E126 WeakPolarHBondContact CD-OE1 3.44Å; R119-Q163 PolarHBondContact N-O 3.12Å; R119-Q163 PolarHBondContact O-N 3.14Å; R119-E165 IonicContact CZ-OE1 3.15Å; R119-E165 IonicContact NH1-OE1 3.47Å; R119-E165 IonicContact NH2-OE1 3.33Å; R119-E165 PolarHBondContact NH2-OE1 3.48Å |
| 120 | W | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.3 | 170.5 | -84.2 | 106.7 | 0 | 0 | 0 | 110.7 | V90 L104 C106 E126 E127 V131 V148 L150 T161 C162 | V90-W120 HydrophobicContact CG1-CH2 3.59Å; V90-W120 HydrophobicContact CG1-CZ3 4.18Å; V90-W120 HydrophobicContact CG2-CH2 4.33Å; L104-W120 HydrophobicContact CB-CH2 3.78Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; C106-W120 HydrophobicContact CB-CH2 4.23Å; C106-W120 HydrophobicContact CB-CZ2 3.58Å; W120-E126 WeakPolarHBondContact O-CA 3.25Å; W120-E127 HydrophobicContact CB-CB 4.39Å; W120-E127 PolarHBondContact O-N 3.26Å; W120-V131 HydrophobicContact CB-CG2 4.21Å; W120-V131 HydrophobicContact CG-CG2 4.39Å; W120-V148 PolarHBondContact NE1-O 2.84Å; W120-L150 HydrophobicContact CB-CD2 4.38Å; W120-L150 HydrophobicContact CD2-CB 4.03Å; W120-L150 HydrophobicContact CD2-CD2 4.1Å; W120-L150 HydrophobicContact CE3-CD2 4.17Å; W120-L150 HydrophobicContact CG-CB 4.09Å; W120-L150 HydrophobicContact CG-CD2 4.22Å; W120-L150 HydrophobicContact CZ2-CB 4.3Å; W120-T161 CarbonylContact C-O 3.55Å; W120-C162 HydrophobicContact CE3-CB 4.41Å; W120-C162 HydrophobicContact CH2-CB 4.41Å; W120-C162 HydrophobicContact CZ3-CB 4.26Å |
| 121 | F | 97.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.2 | 170.6 | -66.5 | -102.8 | 0 | 0 | 0 | 109.7 | R119 Q125 E126 Y160 T161 Q163 | R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.76Å; R119-F121 HydrophobicContact CB-CZ 4.49Å; F121-Q125 CarbonylContact C-O 3.52Å; F121-Q125 WeakPolarHBondContact CA-O 3.3Å; F121-E126 HydrophobicContact CD1-CB 4.16Å; F121-E126 HydrophobicContact CE1-CB 3.88Å; F121-E126 HydrophobicContact CE1-CG 4.41Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.4Å; F121-Y160 CarbonylContact O-C 3.47Å; F121-Y160 VanDerWaalsContact O-CA 3.31Å; F121-Y160 WeakPolarHBondContact O-CA 3.42Å; F121-T161 PolarHBondContact N-O 2.73Å; F121-T161 PolarHBondContact O-N 3.16Å; F121-Q163 HydrophobicContact CD2-CB 4.1Å; F121-Q163 HydrophobicContact CE2-CB 3.77Å; F121-Q163 HydrophobicContact CE2-CG 4.47Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.3Å |
| 122 | R | 95.6 | Very high | 96.8 | Very high | 65 Ų | 65 | 62.7 Ų | 62.7 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.7 | 171 | -178.4 | -175.6 | -176.9 | 171.6 | 4.8 | 108.1 | S124 Q125 E127 E158 Y160 | R122-S124 PolarHBondContact O-N 3.45Å; R122-Q125 PolarHBondContact N-O 3.39Å; R122-Q125 PolarHBondContact O-N 3.22Å; R122-E127 HydrophobicContact CB-CB 4.38Å; R122-E158 IonicContact CZ-OE1 3.7Å; R122-E158 IonicContact CZ-OE2 3.37Å; R122-E158 IonicContact NE-OE1 2.84Å; R122-E158 PolarHBondContact NE-OE1 3.13Å; R122-E158 IonicContact NE-OE2 3.26Å; R122-E158 VanDerWaalsContact NH2-CD 3.32Å; R122-E158 IonicContact NH2-OE1 2.63Å; R122-E158 PolarHBondContact NH2-OE1 3.43Å; R122-E158 IonicContact NH2-OE2 2.68Å; R122-E158 PolarHBondContact NH2-OE2 3.27Å; R122-Y160 HydrophobicContact CB-CD1 4.36Å; R122-Y160 HydrophobicContact CB-CE1 4.36Å; R122-Y160 HydrophobicContact CG-CD1 4.34Å; R122-Y160 HydrophobicContact CG-CE1 3.99Å |
| 123 | N | 93.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 64 Ų | 64 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 45.2 | -176 | -56.9 | -33.6 | 0 | 0 | 0 | 112.2 | Q125 V159 | N123-Q125 PolarHBondContact O-N 3.29Å; N123-V159 PolarHBondContact N-O 3.17Å; N123-V159 PolarHBondContact OD1-N 3.28Å |
| 124 | S | 93.7 | Very high | 96.7 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 76% | 0.762 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 5.2 | -178.6 | -48.4 | 0 | 0 | 0 | 0 | 116.8 | R122 | R122-S124 PolarHBondContact O-N 3.45Š|
| 125 | Q | 96.8 | Very high | 96.7 | Very high | 155 Ų | 155 | 66.7 Ų | 66.7 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.7 | 170.3 | -64.6 | -172.9 | -7.1 | 0 | 0 | 110 | F121 R122 N123 E127 | F121-Q125 CarbonylContact C-O 3.52Å; F121-Q125 WeakPolarHBondContact CA-O 3.3Å; R122-Q125 PolarHBondContact N-O 3.39Å; R122-Q125 PolarHBondContact O-N 3.22Å; N123-Q125 PolarHBondContact O-N 3.29Å; Q125-E127 PolarHBondContact O-N 2.78Å |
| 126 | E | 97.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 125.9 | 178.3 | -168 | -172.7 | -178.6 | 0 | 0 | 109.9 | R119 W120 F121 K128 | R119-E126 WeakPolarHBondContact CD-OE1 3.44Å; W120-E126 WeakPolarHBondContact O-CA 3.25Å; F121-E126 HydrophobicContact CD1-CB 4.16Å; F121-E126 HydrophobicContact CE1-CB 3.88Å; F121-E126 HydrophobicContact CE1-CG 4.41Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.4Å; E126-K128 HydrophobicContact CG-CG 4.49Å; E126-K128 WeakPolarHBondContact OE1-CE 3.37Å; E126-K128 IonicContact OE1-NZ 2.75Å; E126-K128 PolarHBondContact OE1-NZ 3.34Å; E126-K128 WeakPolarHBondContact OE2-CE 3.28Å; E126-K128 IonicContact OE2-NZ 3.53Å; E126-K128 PolarHBondContact OE2-NZ 2.74Å; E126-K128 VanDerWaalsContact OE2-NZ 3.15Å |
| 127 | E | 96.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.6 | 178.9 | -177.1 | 62.8 | -91.8 | 0 | 0 | 108.9 | W120 R122 Q125 A129 V131 L150 | W120-E127 HydrophobicContact CB-CB 4.39Å; W120-E127 PolarHBondContact O-N 3.26Å; R122-E127 HydrophobicContact CB-CB 4.38Å; Q125-E127 PolarHBondContact O-N 2.78Å; E127-A129 WeakPolarHBondContact OE1-CB 3.31Å; E127-A129 PolarHBondContact OE1-N 2.89Å; E127-A129 VanDerWaalsContact OE1-N 3.13Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; E127-L150 HydrophobicContact CG-CD1 3.63Å; E127-L150 HydrophobicContact CG-CD2 4.25Å |
| 128 | K | 96.5 | Very high | 96.6 | Very high | 146 Ų | 146 | 71.7 Ų | 71.7 | 64% | 0.635 | 40% | 0.397 | S | S | * | . | trans | -115.3 | -24.4 | 178.4 | -65.4 | -177.2 | -176.6 | 175.5 | 0 | 112 | E126 V131 | E126-K128 HydrophobicContact CG-CG 4.49Å; E126-K128 WeakPolarHBondContact OE1-CE 3.37Å; E126-K128 IonicContact OE1-NZ 2.75Å; E126-K128 PolarHBondContact OE1-NZ 3.34Å; E126-K128 WeakPolarHBondContact OE2-CE 3.28Å; E126-K128 IonicContact OE2-NZ 3.53Å; E126-K128 PolarHBondContact OE2-NZ 2.74Å; E126-K128 VanDerWaalsContact OE2-NZ 3.15Å; K128-V131 PolarHBondContact O-N 2.7Å | ||
| 129 | A | 95.3 | Very high | 96.6 | Very high | 69 Ų | 69 | 73.2 Ų | 73.2 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 132.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E127 V131 L150 | E127-A129 WeakPolarHBondContact OE1-CB 3.31Å; E127-A129 PolarHBondContact OE1-N 2.89Å; E127-A129 VanDerWaalsContact OE1-N 3.13Å; A129-V131 PolarHBondContact O-N 2.95Å; A129-L150 WeakPolarHBondContact O-CD1 3.46Å |
| 130 | G | 92.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 74.3 Ų | 74.3 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 11.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | E151 | G130-E151 PolarHBondContact O-N 3.39Š|
| 131 | V | 97.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 78.7 Ų | 78.7 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.5 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | W120 E127 K128 A129 V148 M149 L150 | W120-V131 HydrophobicContact CB-CG2 4.21Å; W120-V131 HydrophobicContact CG-CG2 4.39Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; K128-V131 PolarHBondContact O-N 2.7Å; A129-V131 PolarHBondContact O-N 2.95Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.44Å; V131-L150 HydrophobicContact CG2-CD1 3.75Å |
| 132 | V | 96.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 84 Ų | 84 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.3 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | M149 | V132-M149 HydrophobicContact CB-CE 4.29Å; V132-M149 HydrophobicContact CG1-CE 4.06Å; V132-M149 PolarHBondContact N-O 2.88Å; V132-M149 PolarHBondContact O-N 3.09Å |
| 133 | S | 97.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 81.8 Ų | 81.8 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.7 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 111 | G135 T146 L147 | S133-G135 PolarHBondContact O-N 2.68Å; S133-G135 PolarHBondContact OG-N 2.81Å; S133-T146 PolarHBondContact OG-OG1 2.91Å; S133-L147 WeakPolarHBondContact CA-O 3.4Å |
| 134 | T | 96.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 79.4 Ų | 79.4 | 39% | 0.387 | 45% | 0.454 | S | S | . | . | trans | -71.1 | -8.6 | 168.4 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | L147 M149 | T134-L147 HydrophobicContact CG2-CB 3.78Å; T134-L147 HydrophobicContact CG2-CD1 4.23Å; T134-L147 HydrophobicContact CG2-CG 4.23Å; T134-L147 PolarHBondContact N-O 2.63Å; T134-L147 PolarHBondContact OG1-N 3.29Å; T134-M149 HydrophobicContact CG2-CE 4.22Å | ||
| 135 | G | 96.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 77.2 Ų | 77.2 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | trans | 71.1 | -171.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S133 T146 | S133-G135 PolarHBondContact O-N 2.68Å; S133-G135 PolarHBondContact OG-N 2.81Å; G135-T146 WeakPolarHBondContact O-CB 3.48Å; G135-T146 PolarHBondContact O-OG1 2.67Å | ||
| 136 | L | 97.4 | Very high | 97 | Very high | 85 Ų | 85 | 70.1 Ų | 70.1 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | trans | -84.4 | 124.7 | -177.7 | -170 | 72.1 | 0 | 0 | 0 | 110.6 | F111 G114 F144 | F111-L136 HydrophobicContact CE2-CD1 3.83Å; F111-L136 HydrophobicContact CZ-CD1 3.67Å; G114-L136 WeakPolarHBondContact O-CD1 3.49Å; L136-F144 HydrophobicContact CD1-CB 3.64Å; L136-F144 HydrophobicContact CD1-CD1 3.83Å; L136-F144 HydrophobicContact CD1-CG 3.91Å; L136-F144 HydrophobicContact CD2-CD1 3.56Å; L136-F144 HydrophobicContact CD2-CE1 3.65Å; L136-F144 HydrophobicContact CD2-CG 4.28Å; L136-F144 HydrophobicContact CD2-CZ 4.49Å; L136-F144 HydrophobicContact CG-CB 4.29Å; L136-F144 HydrophobicContact CG-CD1 3.55Å; L136-F144 HydrophobicContact CG-CE1 4.15Å; L136-F144 HydrophobicContact CG-CG 4.17Å | ||
| 137 | I | 98 | Very high | 97 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.6 | 178.4 | -58.3 | 167 | 0 | 0 | 0 | 109 | F144 Q145 | I137-F144 VanDerWaalsContact O-CA 3.26Å; I137-F144 WeakPolarHBondContact O-CA 3.32Å; I137-Q145 HydrophobicContact CB-CG 3.69Å; I137-Q145 HydrophobicContact CD1-CG 4.3Å; I137-Q145 HydrophobicContact CG2-CG 3.97Å; I137-Q145 PolarHBondContact N-O 2.83Å; I137-Q145 PolarHBondContact O-N 3.01Å |
| 138 | Q | 97.8 | Very high | 97.1 | Very high | 157 Ų | 157 | 66.3 Ų | 66.3 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.4 | 176.4 | -68.9 | 179.7 | 33.6 | 0 | 0 | 110.5 | F144 | Q138-F144 HydrophobicContact CG-CD1 3.85Å; Q138-F144 HydrophobicContact CG-CE1 3.54Å |
| 139 | N | 96.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 32% | 0.316 | 36% | 0.362 | S | S | . | . | trans | -85.4 | -15.5 | -177.7 | -65.5 | -26.9 | 0 | 0 | 0 | 113.6 | D141 T143 Q145 | N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.25Å; N139-D141 WeakPolarHBondContact CB-OD1 3.38Å; N139-T143 WeakPolarHBondContact CB-O 3.32Å; N139-T143 PolarHBondContact N-O 2.99Å; N139-T143 VanDerWaalsContact N-O 3.13Å; N139-T143 PolarHBondContact ND2-OG1 2.86Å; N139-Q145 VanDerWaalsContact OD1-CD 3.22Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.23Å; N139-Q145 PolarHBondContact OD1-NE2 2.9Å | ||
| 140 | G | 96.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 58 Ų | 58 | 81% | 0.814 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 83.1 | 1.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 141 | D | 96.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 62.4 Ų | 62.4 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -116.8 | 25 | -179.2 | 69.2 | -9.3 | 0 | 0 | 0 | 112.9 | N139 T143 | N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.25Å; N139-D141 WeakPolarHBondContact CB-OD1 3.38Å; D141-T143 PolarHBondContact O-N 3.47Å; D141-T143 WeakPolarHBondContact OD1-CB 3.45Å; D141-T143 PolarHBondContact OD1-N 2.97Å; D141-T143 PolarHBondContact OD1-OG1 3.33Å; D141-T143 PolarHBondContact OD2-OG1 2.74Å |
| 142 | W | 96.6 | Very high | 96.8 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 64.4 | 23.4 | -172.4 | -60.9 | 76.3 | 0 | 0 | 0 | 114.6 | T79 Y112 | T79-W142 HydrophobicContact CG2-CH2 3.93Å; T79-W142 HydrophobicContact CG2-CZ3 3.92Å; Y112-W142 WeakPolarHBondContact CB-O 3.41Å; Y112-W142 WeakPolarHBondContact CD2-O 3.21Å; Y112-W142 HydrophobicContact CE2-CE3 4.17Å |
| 143 | T | 98.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | trans | -125.4 | 162.5 | 168.7 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | F111 N139 D141 | F111-T143 CarbonylContact O-C 3.6Å; F111-T143 WeakPolarHBondContact O-CA 3.25Å; N139-T143 WeakPolarHBondContact CB-O 3.32Å; N139-T143 PolarHBondContact N-O 2.99Å; N139-T143 VanDerWaalsContact N-O 3.13Å; N139-T143 PolarHBondContact ND2-OG1 2.86Å; D141-T143 PolarHBondContact O-N 3.47Å; D141-T143 WeakPolarHBondContact OD1-CB 3.45Å; D141-T143 PolarHBondContact OD1-N 2.97Å; D141-T143 PolarHBondContact OD1-OG1 3.33Å; D141-T143 PolarHBondContact OD2-OG1 2.74Å | ||
| 144 | F | 98.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 163 | 177 | -60.7 | -90 | 0 | 0 | 0 | 111 | G110 F111 Y112 G114 L136 I137 Q138 | G110-F144 PolarHBondContact N-O 3Å; F111-F144 WeakPolarHBondContact CD1-O 3.5Å; F111-F144 HydrophobicContact CD2-CB 4.12Å; F111-F144 HydrophobicContact CE1-CB 4.24Å; F111-F144 HydrophobicContact CE2-CB 3.69Å; F111-F144 HydrophobicContact CZ-CB 3.75Å; F111-F144 PolarHBondContact N-O 2.85Å; F111-F144 PolarHBondContact O-N 2.73Å; Y112-F144 HydrophobicContact CD2-CD2 4.12Å; Y112-F144 AromaticContact CD2-CE2 3.58Å; Y112-F144 HydrophobicContact CD2-CE2 3.58Å; Y112-F144 AromaticContact CE2-CE2 3.96Å; Y112-F144 HydrophobicContact CE2-CE2 3.96Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; G114-F144 VanDerWaalsContact N-CE2 3.28Å; L136-F144 HydrophobicContact CD1-CB 3.64Å; L136-F144 HydrophobicContact CD1-CD1 3.83Å; L136-F144 HydrophobicContact CD1-CG 3.91Å; L136-F144 HydrophobicContact CD2-CD1 3.56Å; L136-F144 HydrophobicContact CD2-CE1 3.65Å; L136-F144 HydrophobicContact CD2-CG 4.28Å; L136-F144 HydrophobicContact CD2-CZ 4.49Å; L136-F144 HydrophobicContact CG-CB 4.29Å; L136-F144 HydrophobicContact CG-CD1 3.55Å; L136-F144 HydrophobicContact CG-CE1 4.15Å; L136-F144 HydrophobicContact CG-CG 4.17Å; I137-F144 VanDerWaalsContact O-CA 3.26Å; I137-F144 WeakPolarHBondContact O-CA 3.32Å; Q138-F144 HydrophobicContact CG-CD1 3.85Å; Q138-F144 HydrophobicContact CG-CE1 3.54Å |
| 145 | Q | 98.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.1 | 168.8 | 64.7 | -176.6 | -19.2 | 0 | 0 | 111.2 | V108 N109 I137 N139 | V108-Q145 CarbonylContact O-C 3.57Å; V108-Q145 VanDerWaalsContact O-CA 3.3Å; V108-Q145 WeakPolarHBondContact O-CA 3.1Å; N109-Q145 HydrophobicContact CB-CB 4.42Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.28Å; I137-Q145 HydrophobicContact CB-CG 3.69Å; I137-Q145 HydrophobicContact CD1-CG 4.3Å; I137-Q145 HydrophobicContact CG2-CG 3.97Å; I137-Q145 PolarHBondContact N-O 2.83Å; I137-Q145 PolarHBondContact O-N 3.01Å; N139-Q145 VanDerWaalsContact OD1-CD 3.22Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.23Å; N139-Q145 PolarHBondContact OD1-NE2 2.9Å |
| 146 | T | 98.5 | Very high | 94.7 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.7 | 170.8 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | V108 F111 I116 V118 S133 G135 | V108-T146 HydrophobicContact CB-CG2 4.01Å; V108-T146 PolarHBondContact N-O 3.31Å; V108-T146 PolarHBondContact O-N 3.35Å; F111-T146 HydrophobicContact CE1-CG2 4.33Å; F111-T146 HydrophobicContact CZ-CG2 4.29Å; I116-T146 HydrophobicContact CG2-CG2 4.49Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; S133-T146 PolarHBondContact OG-OG1 2.91Å; G135-T146 WeakPolarHBondContact O-CB 3.48Å; G135-T146 PolarHBondContact O-OG1 2.67Å |
| 147 | L | 98 | Very high | 94.1 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.9 | 171.2 | -52.9 | 177.5 | 0 | 0 | 0 | 108.2 | V105 C106 S107 S133 T134 | V105-L147 HydrophobicContact CG1-CB 4.47Å; V105-L147 HydrophobicContact CG1-CD2 4.32Å; C106-L147 WeakPolarHBondContact O-CA 3.46Å; S107-L147 WeakPolarHBondContact OG-CD2 3.42Å; S133-L147 WeakPolarHBondContact CA-O 3.4Å; T134-L147 HydrophobicContact CG2-CB 3.78Å; T134-L147 HydrophobicContact CG2-CD1 4.23Å; T134-L147 HydrophobicContact CG2-CG 4.23Å; T134-L147 PolarHBondContact N-O 2.63Å; T134-L147 PolarHBondContact OG1-N 3.29Å |
| 148 | V | 98.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.3 | 172.7 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | C106 V118 W120 V131 | C106-V148 WeakPolarHBondContact CB-O 3.43Å; C106-V148 PolarHBondContact N-O 2.95Å; C106-V148 PolarHBondContact O-N 2.8Å; V118-V148 HydrophobicContact CB-CB 4.47Å; V118-V148 HydrophobicContact CB-CG2 3.73Å; V118-V148 HydrophobicContact CG1-CB 3.81Å; V118-V148 HydrophobicContact CG1-CG1 4.3Å; V118-V148 HydrophobicContact CG1-CG2 3.57Å; V118-V148 HydrophobicContact CG2-CG2 4.31Å; W120-V148 PolarHBondContact NE1-O 2.84Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å |
| 149 | M | 96.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 142.8 | -171.4 | -58.3 | 168.8 | -75.4 | 0 | 0 | 109.7 | L103 L104 V105 V131 V132 T134 | L103-M149 HydrophobicContact CD1-CB 3.81Å; L103-M149 HydrophobicContact CD2-CB 4.32Å; L103-M149 HydrophobicContact CD2-CG 4.36Å; L103-M149 HydrophobicContact CD2-SD 3.94Å; L103-M149 HydrophobicContact CG-CB 4.05Å; L104-M149 CarbonylContact O-C 3.56Å; L104-M149 VanDerWaalsContact O-CA 3.24Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; V105-M149 HydrophobicContact CG1-CG 4.36Å; V105-M149 HydrophobicContact CG2-CG 4.28Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.44Å; V132-M149 HydrophobicContact CB-CE 4.29Å; V132-M149 HydrophobicContact CG1-CE 4.06Å; V132-M149 PolarHBondContact N-O 2.88Å; V132-M149 PolarHBondContact O-N 3.09Å; T134-M149 HydrophobicContact CG2-CE 4.22Å |
| 150 | L | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.5 | 176.6 | 171.6 | 64.2 | 0 | 0 | 0 | 109.6 | L104 W120 E127 A129 V131 T152 Y160 | L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 3.25Å; L104-L150 PolarHBondContact O-N 2.85Å; W120-L150 HydrophobicContact CB-CD2 4.38Å; W120-L150 HydrophobicContact CD2-CB 4.03Å; W120-L150 HydrophobicContact CD2-CD2 4.1Å; W120-L150 HydrophobicContact CE3-CD2 4.17Å; W120-L150 HydrophobicContact CG-CB 4.09Å; W120-L150 HydrophobicContact CG-CD2 4.22Å; W120-L150 HydrophobicContact CZ2-CB 4.3Å; E127-L150 HydrophobicContact CG-CD1 3.63Å; E127-L150 HydrophobicContact CG-CD2 4.25Å; A129-L150 WeakPolarHBondContact O-CD1 3.46Å; V131-L150 HydrophobicContact CG2-CD1 3.75Å; L150-T152 HydrophobicContact CG-CG2 4.41Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.89Å |
| 151 | E | 93.6 | Very high | 93.6 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 59% | 0.593 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117 | 171.3 | -69.8 | -178.2 | -172.9 | 0 | 0 | 110.3 | L103 G130 | L103-E151 HydrophobicContact CD1-CB 4.48Å; L103-E151 HydrophobicContact CD1-CG 3.52Å; G130-E151 PolarHBondContact O-N 3.39Å |
| 152 | T | 90 | Very high | 93.7 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 171.3 | -177.2 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | N102 L104 L150 P154 Y160 | N102-T152 PolarHBondContact N-O 3.42Å; N102-T152 PolarHBondContact O-N 2.03Å; L104-T152 HydrophobicContact CD1-CG2 4.07Å; L104-T152 HydrophobicContact CG-CG2 4.27Å; L150-T152 HydrophobicContact CG-CG2 4.41Å; T152-P154 HydrophobicContact CG2-CG 4Å; T152-Y160 HydrophobicContact CG2-CE1 3.77Å; T152-Y160 PolarHBondContact OG1-OH 2.92Å; T152-Y160 VanDerWaalsContact OG1-OH 3.09Å |
| 153 | V | 88.6 | Confident | 93.8 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | trans | -119.9 | 91.9 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | H101 R155 | H101-V153 WeakPolarHBondContact ND1-CG2 3.42Å; V153-R155 PolarHBondContact O-N 3.05Å | ||
| 154 | P | 85.8 | Confident | 93.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -66 | 125.6 | -170 | -17.2 | 28.1 | 0 | 0 | 0 | 112.6 | L98 N102 T152 Y160 W177 A179 | L98-P154 WeakPolarHBondContact CB-O 3.45Å; L98-P154 HydrophobicContact CD2-CB 3.97Å; N102-P154 HydrophobicContact CB-CG 4.21Å; T152-P154 HydrophobicContact CG2-CG 4Å; P154-Y160 WeakPolarHBondContact CA-OH 3.27Å; P154-Y160 HydrophobicContact CB-CE2 4.01Å; P154-W177 HydrophobicContact CB-CH2 3.96Å; P154-W177 HydrophobicContact CB-CZ3 3.83Å; P154-W177 HydrophobicContact CG-CH2 4.02Å; P154-W177 HydrophobicContact CG-CZ3 4.06Å; P154-A179 HydrophobicContact CB-CB 3.96Å |
| 155 | R | 84.8 | Confident | 93.8 | Very high | 172 Ų | 172 | 40.7 Ų | 40.7 | 65% | 0.649 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -96.8 | 147.4 | 175 | -57.8 | 179.4 | 177.7 | -177.3 | -0.4 | 110.7 | V153 G157 E158 A179 | V153-R155 PolarHBondContact O-N 3.05Å; R155-G157 PolarHBondContact O-N 2.67Å; R155-E158 HydrophobicContact CB-CG 4.04Å; R155-E158 WeakPolarHBondContact CB-OE2 3.43Å; R155-E158 PolarHBondContact N-OE2 3.29Å; R155-E158 WeakPolarHBondContact O-CB 3.18Å; R155-E158 WeakPolarHBondContact O-CG 3.02Å; R155-E158 PolarHBondContact O-N 2.84Å; R155-A179 WeakPolarHBondContact O-CB 3.5Å |
| 156 | S | 84.2 | Confident | 93.8 | Very high | 90 Ų | 90 | 38.1 Ų | 38.1 | 63% | 0.629 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 129.7 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 157 | G | 84.8 | Confident | 93.8 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 65% | 0.649 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -9.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R155 | R155-G157 PolarHBondContact O-N 2.67Š|
| 158 | E | 90.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 40 Ų | 40 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | trans | -73.1 | 144.2 | 172.2 | -64.1 | -175.1 | 140.6 | 0 | 0 | 111.5 | R122 R155 Y160 A179 | R122-E158 IonicContact CZ-OE1 3.7Å; R122-E158 IonicContact CZ-OE2 3.37Å; R122-E158 IonicContact NE-OE1 2.84Å; R122-E158 PolarHBondContact NE-OE1 3.13Å; R122-E158 IonicContact NE-OE2 3.26Å; R122-E158 VanDerWaalsContact NH2-CD 3.32Å; R122-E158 IonicContact NH2-OE1 2.63Å; R122-E158 PolarHBondContact NH2-OE1 3.43Å; R122-E158 IonicContact NH2-OE2 2.68Å; R122-E158 PolarHBondContact NH2-OE2 3.27Å; R155-E158 HydrophobicContact CB-CG 4.04Å; R155-E158 WeakPolarHBondContact CB-OE2 3.43Å; R155-E158 PolarHBondContact N-OE2 3.29Å; R155-E158 WeakPolarHBondContact O-CB 3.18Å; R155-E158 WeakPolarHBondContact O-CG 3.02Å; R155-E158 PolarHBondContact O-N 2.84Å; E158-Y160 HydrophobicContact CB-CE2 3.88Å; E158-Y160 PolarHBondContact OE2-OH 2.77Å; E158-A179 PolarHBondContact O-N 2.96Å | ||
| 159 | V | 93.6 | Very high | 93.8 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | N123 E176 R178 | N123-V159 PolarHBondContact N-O 3.17Å; N123-V159 PolarHBondContact OD1-N 3.28Å; V159-E176 HydrophobicContact CG1-CB 4.29Å; V159-E176 HydrophobicContact CG1-CG 4.29Å; V159-R178 HydrophobicContact CG1-CG 4.35Å; V159-R178 HydrophobicContact CG2-CG 4.26Å; V159-R178 VanDerWaalsContact CG2-NH1 3.32Å |
| 160 | Y | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134 | 175.2 | -64.7 | -96.5 | 0 | 0 | 0 | 108.7 | L104 F121 R122 L150 T152 P154 E158 E176 W177 | L104-Y160 HydrophobicContact CD1-CD1 3.65Å; L104-Y160 HydrophobicContact CD1-CD2 3.81Å; L104-Y160 HydrophobicContact CD1-CE1 4.07Å; L104-Y160 HydrophobicContact CD1-CE2 4.24Å; L104-Y160 HydrophobicContact CD1-CG 3.47Å; L104-Y160 VanDerWaalsContact CD1-CG 3.47Å; F121-Y160 CarbonylContact O-C 3.47Å; F121-Y160 VanDerWaalsContact O-CA 3.31Å; F121-Y160 WeakPolarHBondContact O-CA 3.42Å; R122-Y160 HydrophobicContact CB-CD1 4.36Å; R122-Y160 HydrophobicContact CB-CE1 4.36Å; R122-Y160 HydrophobicContact CG-CD1 4.34Å; R122-Y160 HydrophobicContact CG-CE1 3.99Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.89Å; T152-Y160 HydrophobicContact CG2-CE1 3.77Å; T152-Y160 PolarHBondContact OG1-OH 2.92Å; T152-Y160 VanDerWaalsContact OG1-OH 3.09Å; P154-Y160 WeakPolarHBondContact CA-OH 3.27Å; P154-Y160 HydrophobicContact CB-CE2 4.01Å; E158-Y160 HydrophobicContact CB-CE2 3.88Å; E158-Y160 PolarHBondContact OE2-OH 2.77Å; Y160-E176 CarbonylContact O-C 3.47Å; Y160-E176 WeakPolarHBondContact O-CA 3.04Å; Y160-W177 AromaticContact CD2-CE3 3.76Å; Y160-W177 HydrophobicContact CD2-CE3 3.76Å; Y160-W177 AromaticContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CE2-CE3 4.45Å; Y160-W177 HydrophobicContact CE2-CZ3 4.14Å; Y160-W177 HydrophobicContact CG-CE3 4.4Å; Y160-W177 PolarHBondContact N-O 2.92Å; Y160-W177 PolarHBondContact O-N 3.22Å |
| 161 | T | 98 | Very high | 93.8 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.1 | -178 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | W120 F121 T174 V175 E176 | W120-T161 CarbonylContact C-O 3.55Å; F121-T161 PolarHBondContact N-O 2.73Å; F121-T161 PolarHBondContact O-N 3.16Å; T161-T174 HydrophobicContact CG2-CG2 4.25Å; T161-V175 WeakPolarHBondContact CA-O 3.4Å; T161-E176 HydrophobicContact CG2-CG 4.36Å |
| 162 | C | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.1 | 164.5 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | V90 C106 W120 T174 V175 | V90-C162 HydrophobicContact CG2-CB 3.57Å; C106-C162 HydrophobicContact CB-CB 3.61Å; C106-C162 WeakPolarHBondContact CB-SG 3.34Å; C106-C162 WeakPolarHBondContact SG-CB 3.25Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.33Å; W120-C162 HydrophobicContact CE3-CB 4.41Å; W120-C162 HydrophobicContact CH2-CB 4.41Å; W120-C162 HydrophobicContact CZ3-CB 4.26Å; C162-T174 WeakPolarHBondContact O-CA 3.32Å; C162-V175 PolarHBondContact N-O 2.84Å; C162-V175 PolarHBondContact O-N 3.22Å |
| 163 | Q | 98.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 48.3 Ų | 48.3 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.8 | 175.8 | -175.9 | 178.5 | 66.9 | 0 | 0 | 109.6 | V118 R119 F121 P172 L173 T174 | V118-Q163 WeakPolarHBondContact CA-O 3.36Å; R119-Q163 PolarHBondContact N-O 3.12Å; R119-Q163 PolarHBondContact O-N 3.14Å; F121-Q163 HydrophobicContact CD2-CB 4.1Å; F121-Q163 HydrophobicContact CE2-CB 3.77Å; F121-Q163 HydrophobicContact CE2-CG 4.47Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.3Å; Q163-P172 HydrophobicContact CG-CB 3.67Å; Q163-L173 CarbonylContact C-O 3.48Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.29Å; Q163-T174 HydrophobicContact CB-CG2 4.25Å; Q163-T174 HydrophobicContact CG-CG2 4.01Å |
| 164 | V | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.3 | -177.8 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | P86 V88 V108 I116 E117 V118 P172 L173 | P86-V164 HydrophobicContact CG-CG1 4.05Å; V88-V164 HydrophobicContact CG1-CG2 4.01Å; V88-V164 HydrophobicContact CG2-CB 4.16Å; V88-V164 HydrophobicContact CG2-CG2 3.73Å; V108-V164 HydrophobicContact CG1-CG1 4.05Å; V108-V164 HydrophobicContact CG1-CG2 4.38Å; V108-V164 HydrophobicContact CG2-CG2 3.8Å; I116-V164 HydrophobicContact CD1-CG1 3.69Å; I116-V164 HydrophobicContact CG1-CG1 3.92Å; E117-V164 CarbonylContact O-C 3.6Å; E117-V164 WeakPolarHBondContact O-CA 3.3Å; V118-V164 HydrophobicContact CG1-CG2 4.19Å; V118-V164 HydrophobicContact CG2-CG1 4.34Å; V118-V164 HydrophobicContact CG2-CG2 4.2Å; V164-P172 CarbonylContact O-C 3.6Å; V164-P172 WeakPolarHBondContact O-CA 3.22Å; V164-L173 HydrophobicContact CB-CB 4.33Å; V164-L173 PolarHBondContact N-O 3.48Å; V164-L173 PolarHBondContact O-N 2.78Å |
| 165 | E | 98.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129 | 169.5 | -56.7 | -170.2 | -173.8 | 0 | 0 | 109.5 | I116 E117 R119 P172 | I116-E165 WeakPolarHBondContact CG1-O 3.11Å; E117-E165 HydrophobicContact CB-CB 4.25Å; E117-E165 PolarHBondContact N-O 2.85Å; E117-E165 PolarHBondContact O-N 3.16Å; R119-E165 IonicContact CZ-OE1 3.15Å; R119-E165 IonicContact NH1-OE1 3.47Å; R119-E165 IonicContact NH2-OE1 3.33Å; R119-E165 PolarHBondContact NH2-OE1 3.48Å; E165-P172 HydrophobicContact CG-CB 4.03Å; E165-P172 HydrophobicContact CG-CG 4.01Å |
| 166 | H | 98.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -150.6 | 140.3 | -177.7 | -178.9 | -104.1 | 0 | 0 | 0 | 110.6 | V84 P86 F111 Y112 P113 S115 I116 S168 V169 | V84-H166 PolarHBondContact O-CE1 2.76Å; P86-H166 HydrophobicContact CG-CB 4.1Å; F111-H166 AromaticContact CD2-CD2 3.85Å; F111-H166 AromaticContact CD2-NE2 3.69Å; Y112-H166 PolarHBondContact O-CE1 3.27Å; P113-H166 PolarHBondContact O-NE2 3.29Å; S115-H166 PolarHBondContact O-CD2 2.94Å; S115-H166 VanDerWaalsContact O-CD2 3.31Å; I116-H166 HydrophobicContact CD1-CB 4.5Å; I116-H166 HydrophobicContact CG1-CB 4.27Å; H166-S168 PolarHBondContact CE1-OG 3.36Å; H166-S168 VanDerWaalsContact ND1-CB 3.3Å; H166-S168 WeakPolarHBondContact ND1-CB 3.45Å; H166-S168 PolarHBondContact ND1-N 2.8Å; H166-S168 PolarHBondContact ND1-OG 2.87Å; H166-S168 PolarHBondContact O-N 3.4Å; H166-V169 HydrophobicContact CB-CG2 4.31Å; H166-V169 WeakPolarHBondContact O-CG2 3.47Å; H166-V169 PolarHBondContact O-N 3.35Å | ||
| 167 | P | 98 | Very high | 96.4 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9.4 | -176 | -27 | 36.1 | 0 | 0 | 0 | 116.6 | P113 S115 | P113-P167 HydrophobicContact CG-CG 4.43Å; S115-P167 VanDerWaalsContact O-CD 3.3Å; S115-P167 WeakPolarHBondContact O-CD 3.36Å |
| 168 | S | 98 | Very high | 96.6 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15.3 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | E85 H166 | E85-S168 VanDerWaalsContact CA-OG 3.25Å; E85-S168 WeakPolarHBondContact CA-OG 3.39Å; E85-S168 WeakPolarHBondContact CG-OG 3.4Å; H166-S168 PolarHBondContact CE1-OG 3.36Å; H166-S168 VanDerWaalsContact ND1-CB 3.3Å; H166-S168 WeakPolarHBondContact ND1-CB 3.45Å; H166-S168 PolarHBondContact ND1-N 2.8Å; H166-S168 PolarHBondContact ND1-OG 2.87Å; H166-S168 PolarHBondContact O-N 3.4Å |
| 169 | V | 97.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | trans | -118.5 | 145.8 | -177.2 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | E85 H166 S171 L173 | E85-V169 HydrophobicContact CB-CG1 4.36Å; E85-V169 HydrophobicContact CG-CG1 3.77Å; H166-V169 HydrophobicContact CB-CG2 4.31Å; H166-V169 WeakPolarHBondContact O-CG2 3.47Å; H166-V169 PolarHBondContact O-N 3.35Å; V169-S171 WeakPolarHBondContact CG2-O 3.49Å; V169-L173 HydrophobicContact CG1-CD1 4.4Å; V169-L173 HydrophobicContact CG1-CD2 4.32Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 HydrophobicContact CG2-CG 4.38Å | ||
| 170 | T | 96.9 | Very high | 95.2 | Very high | 156 Ų | 156 | 54.1 Ų | 54.1 | 96% | 0.957 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -85 | -22.6 | -178.3 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 171 | S | 97.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -129.2 | 153.4 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | V169 L173 | V169-S171 WeakPolarHBondContact CG2-O 3.49Å; S171-L173 PolarHBondContact O-N 2.96Å |
| 172 | P | 97.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | trans | -61.4 | 133.7 | 178.3 | -21.2 | 32.1 | 0 | 0 | 0 | 111.5 | Q163 V164 E165 | Q163-P172 HydrophobicContact CG-CB 3.67Å; V164-P172 CarbonylContact O-C 3.6Å; V164-P172 WeakPolarHBondContact O-CA 3.22Å; E165-P172 HydrophobicContact CG-CB 4.03Å; E165-P172 HydrophobicContact CG-CG 4.01Å | ||
| 173 | L | 98.1 | Very high | 89.5 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.9 | 171.6 | -60.3 | 175.3 | 0 | 0 | 0 | 109 | P86 V88 Q163 V164 V169 S171 | P86-L173 HydrophobicContact CG-CD1 3.81Å; V88-L173 HydrophobicContact CG2-CB 4.29Å; V88-L173 HydrophobicContact CG2-CD1 3.91Å; Q163-L173 CarbonylContact C-O 3.48Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.29Å; V164-L173 HydrophobicContact CB-CB 4.33Å; V164-L173 PolarHBondContact N-O 3.48Å; V164-L173 PolarHBondContact O-N 2.78Å; V169-L173 HydrophobicContact CG1-CD1 4.4Å; V169-L173 HydrophobicContact CG1-CD2 4.32Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 HydrophobicContact CG2-CG 4.38Å; S171-L173 PolarHBondContact O-N 2.96Å |
| 174 | T | 97.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.6 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | T161 C162 Q163 | T161-T174 HydrophobicContact CG2-CG2 4.25Å; C162-T174 WeakPolarHBondContact O-CA 3.32Å; Q163-T174 HydrophobicContact CB-CG2 4.25Å; Q163-T174 HydrophobicContact CG-CG2 4.01Å |
| 175 | V | 97.9 | Very high | 85.4 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 26% | 0.255 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.9 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | V88 V90 T161 C162 | V88-V175 HydrophobicContact CB-CG2 3.77Å; V88-V175 HydrophobicContact CG1-CB 4.14Å; V88-V175 HydrophobicContact CG1-CG2 3.61Å; V90-V175 HydrophobicContact CB-CG1 3.95Å; V90-V175 HydrophobicContact CG2-CB 3.86Å; V90-V175 HydrophobicContact CG2-CG1 3.65Å; T161-V175 WeakPolarHBondContact CA-O 3.4Å; C162-V175 PolarHBondContact N-O 2.84Å; C162-V175 PolarHBondContact O-N 3.22Å |
| 176 | E | 96.3 | Very high | 83.5 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 143.6 | 178.5 | -62 | -169.6 | 166.9 | 0 | 0 | 111.7 | V159 Y160 T161 R178 | V159-E176 HydrophobicContact CG1-CB 4.29Å; V159-E176 HydrophobicContact CG1-CG 4.29Å; Y160-E176 CarbonylContact O-C 3.47Å; Y160-E176 WeakPolarHBondContact O-CA 3.04Å; T161-E176 HydrophobicContact CG2-CG 4.36Å; E176-R178 IonicContact OE2-CZ 3.22Å; E176-R178 IonicContact OE2-NE 3.84Å; E176-R178 IonicContact OE2-NH2 3.91Å; E176-R178 PolarHBondContact OE2-NH2 3.1Å |
| 177 | W | 93.6 | Very high | 81.4 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.8 | 166.4 | -177.3 | 90.8 | 0 | 0 | 0 | 109.3 | V90 P92 L104 P154 Y160 A179 | V90-W177 HydrophobicContact CB-CB 4.28Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 4.1Å; P92-W177 HydrophobicContact CB-CZ2 4.48Å; P92-W177 HydrophobicContact CG-CZ2 4.34Å; L104-W177 HydrophobicContact CD1-CD2 4.46Å; L104-W177 HydrophobicContact CD1-CE3 3.76Å; L104-W177 HydrophobicContact CD1-CZ3 4.01Å; L104-W177 HydrophobicContact CD2-CD2 3.75Å; L104-W177 HydrophobicContact CD2-CE3 3.71Å; L104-W177 HydrophobicContact CD2-CG 4.42Å; L104-W177 HydrophobicContact CD2-CH2 3.99Å; L104-W177 HydrophobicContact CD2-CZ2 4.03Å; L104-W177 HydrophobicContact CD2-CZ3 3.83Å; L104-W177 HydrophobicContact CG-CE3 4.41Å; P154-W177 HydrophobicContact CB-CH2 3.96Å; P154-W177 HydrophobicContact CB-CZ3 3.83Å; P154-W177 HydrophobicContact CG-CH2 4.02Å; P154-W177 HydrophobicContact CG-CZ3 4.06Å; Y160-W177 AromaticContact CD2-CE3 3.76Å; Y160-W177 HydrophobicContact CD2-CE3 3.76Å; Y160-W177 AromaticContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CE2-CE3 4.45Å; Y160-W177 HydrophobicContact CE2-CZ3 4.14Å; Y160-W177 HydrophobicContact CG-CE3 4.4Å; Y160-W177 PolarHBondContact N-O 2.92Å; Y160-W177 PolarHBondContact O-N 3.22Å; W177-A179 HydrophobicContact CH2-CB 4.22Å; W177-A179 HydrophobicContact CZ3-CB 3.99Å |
| 178 | R | 90.1 | Very high | 79.5 | Confident | 139 Ų | 139 | 81 Ų | 81 | 53% | 0.525 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.8 | -177.3 | -64.9 | -177.3 | -179 | -100.4 | -7.4 | 110 | V159 E176 Q180 | V159-R178 HydrophobicContact CG1-CG 4.35Å; V159-R178 HydrophobicContact CG2-CG 4.26Å; V159-R178 VanDerWaalsContact CG2-NH1 3.32Å; E176-R178 IonicContact OE2-CZ 3.22Å; E176-R178 IonicContact OE2-NE 3.84Å; E176-R178 IonicContact OE2-NH2 3.91Å; E176-R178 PolarHBondContact OE2-NH2 3.1Å; R178-Q180 PolarHBondContact O-N 3.4Å |
| 179 | A | 82.4 | Confident | 77.6 | Confident | 6 Ų | 6 | 86.7 Ų | 86.7 | 5% | 0.05 | 46% | 0.464 | C | S | . | . | trans | -67.7 | 97.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L98 P154 R155 E158 W177 | L98-A179 HydrophobicContact CD2-CB 3.72Å; P154-A179 HydrophobicContact CB-CB 3.96Å; R155-A179 WeakPolarHBondContact O-CB 3.5Å; E158-A179 PolarHBondContact O-N 2.96Å; W177-A179 HydrophobicContact CH2-CB 4.22Å; W177-A179 HydrophobicContact CZ3-CB 3.99Å | ||
| 180 | Q | 71.9 | Confident | 75.9 | Confident | 120 Ų | 120 | 89.5 Ų | 89.5 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | trans | -89.5 | 136.7 | 174.2 | -65.1 | -167.7 | -9.5 | 0 | 0 | 110.7 | L98 R178 | L98-Q180 VanDerWaalsContact CD1-O 3.31Å; L98-Q180 WeakPolarHBondContact CD1-O 3.37Å; R178-Q180 PolarHBondContact O-N 3.4Å | ||
| 181 | S | 58.8 | Low | 74.3 | Confident | 42 Ų | 42 | 84.2 Ų | 84.2 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | trans | -79.1 | 146.5 | 170.7 | 86.5 | 0 | 0 | 0 | 0 | 110.8 | S183 A184 | S181-S183 PolarHBondContact O-N 2.84Å; S181-S183 VanDerWaalsContact O-N 3.1Å; S181-A184 WeakPolarHBondContact O-CB 3.31Å; S181-A184 PolarHBondContact O-N 3.04Å | ||
| 182 | E | 58.5 | Low | 73.2 | Confident | 135 Ų | 135 | 85 Ų | 85 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -52.8 | -32 | 174.7 | -73.3 | -175.4 | 155.5 | 0 | 0 | 112.4 | A184 Q185 S186 | E182-A184 VanDerWaalsContact C-N 3.25Å; E182-A184 PolarHBondContact O-N 2.97Å; E182-Q185 PolarHBondContact O-N 3.41Å; E182-S186 WeakPolarHBondContact O-CB 3.49Å; E182-S186 PolarHBondContact O-N 2.92Å |
| 183 | S | 54.9 | Low | 71.8 | Confident | 55 Ų | 55 | 84 Ų | 84 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 175 | 157.3 | 0 | 0 | 0 | 0 | 112.2 | S181 K187 | S181-S183 PolarHBondContact O-N 2.84Å; S181-S183 VanDerWaalsContact O-N 3.1Å; S183-K187 VanDerWaalsContact O-CB 3.27Å; S183-K187 WeakPolarHBondContact O-CB 3.22Å; S183-K187 WeakPolarHBondContact O-CD 3.27Å; S183-K187 WeakPolarHBondContact O-CG 3.23Å; S183-K187 PolarHBondContact O-N 2.95Å; S183-K187 VanDerWaalsContact O-N 3.09Å; S183-K187 VanDerWaalsContact OG-CE 3.32Å; S183-K187 WeakPolarHBondContact OG-CE 3.43Å; S183-K187 PolarHBondContact OG-NZ 2.96Å |
| 184 | A | 54.9 | Low | 70.8 | Confident | 47 Ų | 47 | 83.7 Ų | 83.7 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.9 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S181 E182 M188 | S181-A184 WeakPolarHBondContact O-CB 3.31Å; S181-A184 PolarHBondContact O-N 3.04Å; E182-A184 VanDerWaalsContact C-N 3.25Å; E182-A184 PolarHBondContact O-N 2.97Å; A184-M188 PolarHBondContact O-N 3.45Å; A184-M188 VanDerWaalsContact O-N 3.15Å |
| 185 | Q | 56.7 | Low | 69.9 | Low | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.593 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 174.9 | -91.2 | -179 | -27.5 | 0 | 0 | 112.3 | E182 K187 M188 L189 | E182-Q185 PolarHBondContact O-N 3.41Å; Q185-K187 PolarHBondContact O-N 3.41Å; Q185-M188 PolarHBondContact O-N 2.91Å; Q185-L189 PolarHBondContact O-N 3.1Å; Q185-L189 VanDerWaalsContact O-N 3.15Å |
| 186 | S | 57 | Low | 69.2 | Low | 72 Ų | 72 | 88.4 Ų | 88.4 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | E182 L189 S190 | E182-S186 WeakPolarHBondContact O-CB 3.49Å; E182-S186 PolarHBondContact O-N 2.92Å; S186-L189 PolarHBondContact O-N 3.45Å; S186-S190 PolarHBondContact O-N 2.9Å |
| 187 | K | 56.3 | Low | 68.7 | Low | 147 Ų | 147 | 88.1 Ų | 88.1 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 177 | -76 | 171 | -177.9 | 172.5 | 0 | 113.1 | S183 Q185 G191 | S183-K187 VanDerWaalsContact O-CB 3.27Å; S183-K187 WeakPolarHBondContact O-CB 3.22Å; S183-K187 WeakPolarHBondContact O-CD 3.27Å; S183-K187 WeakPolarHBondContact O-CG 3.23Å; S183-K187 PolarHBondContact O-N 2.95Å; S183-K187 VanDerWaalsContact O-N 3.09Å; S183-K187 VanDerWaalsContact OG-CE 3.32Å; S183-K187 WeakPolarHBondContact OG-CE 3.43Å; S183-K187 PolarHBondContact OG-NZ 2.96Å; Q185-K187 PolarHBondContact O-N 3.41Å; K187-G191 PolarHBondContact O-N 3.49Å; K187-G191 VanDerWaalsContact O-N 3.09Å |
| 188 | M | 56.4 | Low | 68.2 | Low | 144 Ų | 144 | 87.5 Ų | 87.5 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 172.7 | -91.3 | -163.7 | 81.1 | 0 | 0 | 112.1 | A184 Q185 G191 V192 | A184-M188 PolarHBondContact O-N 3.45Å; A184-M188 VanDerWaalsContact O-N 3.15Å; Q185-M188 PolarHBondContact O-N 2.91Å; M188-G191 PolarHBondContact O-N 3.4Å; M188-V192 WeakPolarHBondContact O-CG2 3.33Å; M188-V192 PolarHBondContact O-N 3.43Å; M188-V192 VanDerWaalsContact O-N 3.1Å |
| 189 | L | 58.5 | Low | 68.2 | Low | 143 Ų | 143 | 85.6 Ų | 85.6 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | -178.5 | -132.2 | 82.5 | 0 | 0 | 0 | 112.3 | Q185 S186 G191 G193 | Q185-L189 PolarHBondContact O-N 3.1Å; Q185-L189 VanDerWaalsContact O-N 3.15Å; S186-L189 PolarHBondContact O-N 3.45Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G193 PolarHBondContact O-N 3.47Å; L189-G193 VanDerWaalsContact O-N 3.16Å |
| 190 | S | 62.4 | Low | 68.5 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -34.6 | 173.2 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | S186 G193 G194 | S186-S190 PolarHBondContact O-N 2.9Å; S190-G193 PolarHBondContact O-N 2.9Å; S190-G194 PolarHBondContact O-N 3.35Å |
| 191 | G | 64.1 | Low | 69.3 | Low | 46 Ų | 46 | 92.6 Ų | 92.6 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K187 M188 L189 G194 F195 | K187-G191 PolarHBondContact O-N 3.49Å; K187-G191 VanDerWaalsContact O-N 3.09Å; M188-G191 PolarHBondContact O-N 3.4Å; L189-G191 VanDerWaalsContact C-N 3.34Å; G191-G194 PolarHBondContact O-N 2.79Å; G191-F195 PolarHBondContact O-N 2.97Å |
| 192 | V | 72.3 | Confident | 70.7 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 111 | M188 G194 F195 V196 | M188-V192 WeakPolarHBondContact O-CG2 3.33Å; M188-V192 PolarHBondContact O-N 3.43Å; M188-V192 VanDerWaalsContact O-N 3.1Å; V192-G194 PolarHBondContact O-N 2.94Å; V192-F195 PolarHBondContact O-N 3.05Å; V192-V196 HydrophobicContact CG1-CG2 4.5Å; V192-V196 WeakPolarHBondContact O-CG2 3.43Å; V192-V196 PolarHBondContact O-N 3.43Å; V192-V196 VanDerWaalsContact O-N 3.08Å |
| 193 | G | 68.6 | Low | 72.2 | Confident | 35 Ų | 35 | 91.4 Ų | 91.4 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L189 S190 L197 | L189-G193 PolarHBondContact O-N 3.47Å; L189-G193 VanDerWaalsContact O-N 3.16Å; S190-G193 PolarHBondContact O-N 2.9Å; G193-L197 WeakPolarHBondContact O-CG 3.36Å; G193-L197 PolarHBondContact O-N 3.37Å |
| 194 | G | 77.4 | Confident | 73.8 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S190 G191 V192 G198 | S190-G194 PolarHBondContact O-N 3.35Å; G191-G194 PolarHBondContact O-N 2.79Å; V192-G194 PolarHBondContact O-N 2.94Å; G194-G198 PolarHBondContact O-N 3.4Å |
| 195 | F | 79.6 | Confident | 75.4 | Confident | 146 Ų | 146 | 90.9 Ų | 90.9 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | 179.4 | -163 | -100.3 | 0 | 0 | 0 | 112.4 | G191 V192 G198 L199 | G191-F195 PolarHBondContact O-N 2.97Å; V192-F195 PolarHBondContact O-N 3.05Å; F195-G198 PolarHBondContact O-N 2.65Å; F195-L199 HydrophobicContact CD1-CD1 3.82Å; F195-L199 HydrophobicContact CD1-CG 4.3Å; F195-L199 HydrophobicContact CE1-CD1 3.62Å; F195-L199 HydrophobicContact CE1-CG 4.14Å; F195-L199 WeakPolarHBondContact O-CG 3.31Å; F195-L199 PolarHBondContact O-N 3.21Å |
| 196 | V | 83.2 | Confident | 76.8 | Confident | 79 Ų | 79 | 89.2 Ų | 89.2 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V192 G198 L199 L200 | V192-V196 HydrophobicContact CG1-CG2 4.5Å; V192-V196 WeakPolarHBondContact O-CG2 3.43Å; V192-V196 PolarHBondContact O-N 3.43Å; V192-V196 VanDerWaalsContact O-N 3.08Å; V196-G198 VanDerWaalsContact C-N 3.35Å; V196-G198 PolarHBondContact O-N 3.02Å; V196-L199 PolarHBondContact O-N 3.09Å; V196-L200 HydrophobicContact CG1-CD1 4.39Å; V196-L200 WeakPolarHBondContact O-CG 3.21Å; V196-L200 PolarHBondContact O-N 2.67Å; V196-L200 VanDerWaalsContact O-N 3.11Å |
| 197 | L | 84.4 | Confident | 78.2 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175 | -75.1 | 166.8 | 0 | 0 | 0 | 111.5 | G193 L199 L200 F201 | G193-L197 WeakPolarHBondContact O-CG 3.36Å; G193-L197 PolarHBondContact O-N 3.37Å; L197-L199 PolarHBondContact O-N 2.95Å; L197-L200 PolarHBondContact O-N 3.45Å; L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 3.07Å; L197-F201 VanDerWaalsContact O-N 3.11Å |
| 198 | G | 84.6 | Confident | 79.5 | Confident | 32 Ų | 32 | 91.1 Ų | 91.1 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G194 F195 V196 F201 L202 | G194-G198 PolarHBondContact O-N 3.4Å; F195-G198 PolarHBondContact O-N 2.65Å; V196-G198 VanDerWaalsContact C-N 3.35Å; V196-G198 PolarHBondContact O-N 3.02Å; G198-F201 PolarHBondContact O-N 3.47Å; G198-L202 WeakPolarHBondContact O-CB 3.27Å; G198-L202 WeakPolarHBondContact O-CG 3.49Å; G198-L202 PolarHBondContact O-N 2.78Å |
| 199 | L | 90.2 | Very high | 80.9 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.7 | -73.6 | 175.6 | 0 | 0 | 0 | 112.7 | F195 V196 L197 L202 G203 | F195-L199 HydrophobicContact CD1-CD1 3.82Å; F195-L199 HydrophobicContact CD1-CG 4.3Å; F195-L199 HydrophobicContact CE1-CD1 3.62Å; F195-L199 HydrophobicContact CE1-CG 4.14Å; F195-L199 WeakPolarHBondContact O-CG 3.31Å; F195-L199 PolarHBondContact O-N 3.21Å; V196-L199 PolarHBondContact O-N 3.09Å; L197-L199 PolarHBondContact O-N 2.95Å; L199-L202 PolarHBondContact O-N 3.2Å; L199-G203 PolarHBondContact O-N 3.4Å |
| 200 | L | 88.4 | Confident | 81.9 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 175.6 | -72.6 | 170.3 | 0 | 0 | 0 | 111.6 | V196 L197 G203 A204 | V196-L200 HydrophobicContact CG1-CD1 4.39Å; V196-L200 WeakPolarHBondContact O-CG 3.21Å; V196-L200 PolarHBondContact O-N 2.67Å; V196-L200 VanDerWaalsContact O-N 3.11Å; L197-L200 PolarHBondContact O-N 3.45Å; L200-G203 PolarHBondContact O-N 3.27Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.26Å |
| 201 | F | 88.3 | Confident | 82.6 | Confident | 158 Ų | 158 | 92.3 Ų | 92.3 | 69% | 0.693 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 176.7 | -78 | -66.6 | 0 | 0 | 0 | 112.5 | L197 G198 A204 G205 | L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 3.07Å; L197-F201 VanDerWaalsContact O-N 3.11Å; G198-F201 PolarHBondContact O-N 3.47Å; F201-A204 PolarHBondContact O-N 3.33Å; F201-G205 PolarHBondContact O-N 2.89Å |
| 202 | L | 89.1 | Confident | 83 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 175 | -77.6 | 168.1 | 0 | 0 | 0 | 111.7 | G198 L199 G205 L206 | G198-L202 WeakPolarHBondContact O-CB 3.27Å; G198-L202 WeakPolarHBondContact O-CG 3.49Å; G198-L202 PolarHBondContact O-N 2.78Å; L199-L202 PolarHBondContact O-N 3.2Å; L202-G205 PolarHBondContact O-N 2.93Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 PolarHBondContact O-N 3.29Å |
| 203 | G | 88.7 | Confident | 82.7 | Confident | 41 Ų | 41 | 96.4 Ų | 96.4 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L199 L200 L206 F207 | L199-G203 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 3.27Å; G203-L206 PolarHBondContact O-N 3.37Å; G203-F207 WeakPolarHBondContact O-CB 3.33Å; G203-F207 PolarHBondContact O-N 3Å |
| 204 | A | 89 | Confident | 82.2 | Confident | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L200 F201 F207 I208 | L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.26Å; F201-A204 PolarHBondContact O-N 3.33Å; A204-F207 PolarHBondContact O-N 2.91Å; A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 3.37Å |
| 205 | G | 87.5 | Confident | 81 | Confident | 40 Ų | 40 | 104.1 Ų | 104.1 | 41% | 0.412 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F201 L202 F207 I208 Y209 | F201-G205 PolarHBondContact O-N 2.89Å; L202-G205 PolarHBondContact O-N 2.93Å; G205-F207 PolarHBondContact O-N 2.94Å; G205-I208 PolarHBondContact O-N 3.28Å; G205-Y209 VanDerWaalsContact O-CB 3.3Å; G205-Y209 WeakPolarHBondContact O-CB 3.44Å; G205-Y209 PolarHBondContact O-N 3.43Å |
| 206 | L | 87.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.7 | -41.9 | 174.9 | -95.7 | 138.5 | 0 | 0 | 0 | 112 | L202 G203 Y209 F210 | L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 PolarHBondContact O-N 3.29Å; G203-L206 PolarHBondContact O-N 3.37Å; L206-Y209 PolarHBondContact O-N 2.87Å; L206-F210 HydrophobicContact CD2-CD2 4.11Å; L206-F210 HydrophobicContact CD2-CE2 3.43Å; L206-F210 VanDerWaalsContact CD2-CE2 3.43Å; L206-F210 HydrophobicContact CD2-CZ 4.26Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.19Å |
| 207 | F | 85.2 | Confident | 78.1 | Confident | 146 Ų | 146 | 106.8 Ų | 106.8 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -46.4 | 177.1 | -177.5 | -98.4 | 0 | 0 | 0 | 112 | G203 A204 G205 K211 | G203-F207 WeakPolarHBondContact O-CB 3.33Å; G203-F207 PolarHBondContact O-N 3Å; A204-F207 PolarHBondContact O-N 2.91Å; G205-F207 PolarHBondContact O-N 2.94Å; F207-K211 HydrophobicContact CE1-CD 4.24Å; F207-K211 VanDerWaalsContact O-CB 3.27Å; F207-K211 WeakPolarHBondContact O-CB 3.49Å; F207-K211 PolarHBondContact O-N 3.18Å |
| 208 | I | 84.6 | Confident | 76.3 | Confident | 114 Ų | 114 | 105.1 Ų | 105.1 | 59% | 0.585 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 176.1 | -67.2 | 169.7 | 0 | 0 | 0 | 110.4 | A204 G205 F210 K211 N212 | A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 3.37Å; G205-I208 PolarHBondContact O-N 3.28Å; I208-F210 PolarHBondContact O-N 3.07Å; I208-K211 PolarHBondContact O-N 3.42Å; I208-N212 WeakPolarHBondContact O-CB 3.38Å; I208-N212 PolarHBondContact O-N 3.39Å |
| 209 | Y | 85.6 | Confident | 74.1 | Confident | 137 Ų | 137 | 111.6 Ų | 111.6 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.7 | -50 | 178.6 | 177.1 | -98.6 | 0 | 0 | 0 | 112.4 | G205 L206 K211 N212 Q213 | G205-Y209 VanDerWaalsContact O-CB 3.3Å; G205-Y209 WeakPolarHBondContact O-CB 3.44Å; G205-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 PolarHBondContact O-N 2.87Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 3.12Å; Y209-N212 PolarHBondContact O-N 3.36Å; Y209-Q213 HydrophobicContact CE1-CG 4.36Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 PolarHBondContact OH-NE2 3.41Å |
| 210 | F | 79.6 | Confident | 71.7 | Confident | 113 Ų | 113 | 115.8 Ų | 115.8 | 50% | 0.496 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.4 | -34.4 | 178.1 | -79.7 | -60.1 | 0 | 0 | 0 | 113.1 | L206 I208 N212 Q213 K214 | L206-F210 HydrophobicContact CD2-CD2 4.11Å; L206-F210 HydrophobicContact CD2-CE2 3.43Å; L206-F210 VanDerWaalsContact CD2-CE2 3.43Å; L206-F210 HydrophobicContact CD2-CZ 4.26Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.19Å; I208-F210 PolarHBondContact O-N 3.07Å; F210-N212 VanDerWaalsContact C-N 3.3Å; F210-Q213 PolarHBondContact O-N 2.95Å; F210-K214 PolarHBondContact O-N 3.08Å; F210-K214 VanDerWaalsContact O-N 3.17Å |
| 211 | K | 77.2 | Confident | 69.8 | Low | 148 Ų | 148 | 114.3 Ų | 114.3 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.2 | -34.3 | 175.4 | -158.5 | -178 | 173.6 | -174.8 | 0 | 111.3 | F207 I208 Y209 K214 | F207-K211 HydrophobicContact CE1-CD 4.24Å; F207-K211 VanDerWaalsContact O-CB 3.27Å; F207-K211 WeakPolarHBondContact O-CB 3.49Å; F207-K211 PolarHBondContact O-N 3.18Å; I208-K211 PolarHBondContact O-N 3.42Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 3.12Å; K211-K214 PolarHBondContact O-N 3.26Å |
| 212 | N | 71.3 | Confident | 67.8 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.1 | -34.7 | 176.9 | -142.1 | 17.7 | 0 | 0 | 0 | 112.4 | I208 Y209 F210 K214 G215 | I208-N212 WeakPolarHBondContact O-CB 3.38Å; I208-N212 PolarHBondContact O-N 3.39Å; Y209-N212 PolarHBondContact O-N 3.36Å; F210-N212 VanDerWaalsContact C-N 3.3Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.64Å; N212-G215 PolarHBondContact O-N 3.11Å |
| 213 | Q | 66.7 | Low | 65.4 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 48% | 0.477 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65 | -34.2 | 171.8 | -76.7 | -164.6 | -27.2 | 0 | 0 | 112.9 | Y209 F210 G215 H216 | Y209-Q213 HydrophobicContact CE1-CG 4.36Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 PolarHBondContact OH-NE2 3.41Å; F210-Q213 PolarHBondContact O-N 2.95Å; Q213-G215 PolarHBondContact O-N 2.94Å; Q213-H216 PolarHBondContact O-N 2.64Å |
| 214 | K | 57.3 | Low | 63.2 | Low | 180 Ų | 180 | 118.3 Ų | 118.3 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -70.8 | -12.8 | 174.3 | -79.7 | -177.2 | 177 | -179.7 | 0 | 114.2 | F210 K211 N212 | F210-K214 PolarHBondContact O-N 3.08Å; F210-K214 VanDerWaalsContact O-N 3.17Å; K211-K214 PolarHBondContact O-N 3.26Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.64Å |
| 215 | G | 53.1 | Low | 60.9 | Low | 61 Ų | 61 | 122.8 Ų | 122.8 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -84.5 | -6.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N212 Q213 | N212-G215 PolarHBondContact O-N 3.11Å; Q213-G215 PolarHBondContact O-N 2.94Å |
| 216 | H | 51.2 | Low | 58.7 | Low | 173 Ų | 173 | 129.4 Ų | 129.4 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -107.4 | 17.3 | -176.8 | -94.8 | 64 | 0 | 0 | 0 | 114.2 | Q213 | Q213-H216 PolarHBondContact O-N 2.64Š|
| 217 | S | 51.5 | Low | 57.3 | Low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -136 | 84.6 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 218 | G | 45.8 | Very low | 55.8 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | 172.3 | 104.4 | 171 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 219 | L | 39.3 | Very low | 54.2 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | 83.2 | 111.5 | 155.7 | -72.8 | 114 | 0 | 0 | 0 | 120.5 | ||||
| 220 | H | 39.8 | Very low | 52.4 | Low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -118.7 | 122.3 | 148.8 | -154.7 | -56.2 | 0 | 0 | 0 | 108 | ||||
| 221 | P | 46.8 | Very low | 50.7 | Low | 84 Ų | 84 | 132.3 Ų | 132.3 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | trans | -122 | 140 | 157.5 | 30.3 | -15.5 | 0 | 0 | 0 | 113.1 | ||||
| 222 | T | 46.9 | Very low | 48.9 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 61.3 | 130.5 | 147.8 | 51.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 223 | G | 38.3 | Very low | 47.3 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 173.8 | 85.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 224 | L | 42.7 | Very low | 45.8 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -62.2 | 142.8 | 170.1 | -138.6 | 89.7 | 0 | 0 | 0 | 110.6 | ||||
| 225 | V | 40.3 | Very low | 44.9 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -111.2 | 120.5 | 164.7 | -180 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 226 | S | 42.8 | Very low | 44.1 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 100% | 1.259 | 84% | 0.839 | S | S | * | * | trans | -133.9 | 0 | 136.5 | -175.1 | 0 | 0 | 0 | 0 | 108 |
Retrieved 226 of 226 residues in 1026.2 ms
(Link to these results)