| 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 | 95.5 | Very high | 96.5 | Very high | 134 Ų | 134 | 87 Ų | 87 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | 0 | 134.1 | 0 | -174.9 | -176.6 | -178.7 | -158.8 | 0 | 108.8 | E3 R18 I20 | K1-E3 HydrophobicContact CD-CG 4.27Å; K1-E3 VanDerWaalsContact CD-OE1 3.32Å; K1-E3 WeakPolarHBondContact CD-OE1 3.15Å; K1-E3 WeakPolarHBondContact CE-OE1 3.44Å; K1-E3 HydrophobicContact CG-CG 4.26Å; K1-E3 IonicContact NZ-OE1 2.64Å; K1-E3 PolarHBondContact NZ-OE1 3.15Å; K1-R18 HydrophobicContact CB-CB 4.41Å; K1-R18 PolarHBondContact N-O 3.47Å; K1-R18 PolarHBondContact O-N 3.42Å; K1-I20 HydrophobicContact CB-CD1 4.25Å; K1-I20 HydrophobicContact CD-CD1 4.47Å | |||
| 2 | Y | 97.4 | Very high | 96.6 | Very high | 135 Ų | 135 | 91.8 Ų | 91.8 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.7 | 177.8 | -58.2 | -76.4 | 0 | 0 | 0 | 109.6 | F15 L16 H17 | Y2-F15 HydrophobicContact CD1-CE2 4.01Å; Y2-F15 AromaticContact CD1-CZ 3.65Å; Y2-F15 HydrophobicContact CD1-CZ 3.65Å; Y2-F15 HydrophobicContact CE1-CZ 4.3Å; Y2-L16 CarbonylContact C-O 3.53Å; Y2-L16 WeakPolarHBondContact CA-O 3.33Å; Y2-H17 HydrophobicContact CD1-CB 3.8Å; Y2-H17 AromaticContact CD1-CD2 3.69Å; Y2-H17 AromaticContact CD1-CG 3.76Å; Y2-H17 HydrophobicContact CE1-CB 3.82Å; Y2-H17 AromaticContact CE1-CD2 3.2Å; Y2-H17 WeakPolarHBondContact CE1-CD2 3.15Å; Y2-H17 AromaticContact CE1-CE1 3.85Å; Y2-H17 AromaticContact CE1-CG 3.3Å; Y2-H17 AromaticContact CE1-ND1 3.69Å; Y2-H17 AromaticContact CE1-NE2 3.57Å; Y2-H17 AromaticContact CZ-CD2 3.75Å; Y2-H17 AromaticContact CZ-NE2 3.7Å |
| 3 | E | 98.2 | Very high | 96.7 | Very high | 33 Ų | 33 | 85.5 Ų | 85.5 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.8 | -179 | -51.9 | 176.9 | -175.4 | 0 | 0 | 109.7 | K1 H5 F15 L16 R18 | K1-E3 HydrophobicContact CD-CG 4.27Å; K1-E3 VanDerWaalsContact CD-OE1 3.32Å; K1-E3 WeakPolarHBondContact CD-OE1 3.15Å; K1-E3 WeakPolarHBondContact CE-OE1 3.44Å; K1-E3 HydrophobicContact CG-CG 4.26Å; K1-E3 IonicContact NZ-OE1 2.64Å; K1-E3 PolarHBondContact NZ-OE1 3.15Å; E3-H5 IonicContact OE2-CE1 3.47Å; E3-H5 IonicContact OE2-NE2 3.54Å; E3-H5 PolarHBondContact OE2-NE2 3.38Å; E3-H5 VanDerWaalsContact OE2-NE2 3.07Å; E3-F15 WeakPolarHBondContact O-CA 3.34Å; E3-L16 HydrophobicContact CB-CB 4.24Å; E3-L16 PolarHBondContact N-O 3.49Å; E3-L16 PolarHBondContact O-N 3.45Å; E3-R18 WeakPolarHBondContact OE1-CD 3.49Å; E3-R18 IonicContact OE1-CZ 3.21Å; E3-R18 IonicContact OE1-NH1 2.66Å; E3-R18 PolarHBondContact OE1-NH1 3.35Å |
| 4 | C | 98.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 84.6 Ų | 84.6 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.7 | 172.2 | -62.9 | 0 | 0 | 0 | 0 | 108 | F6 C68 | C4-F6 HydrophobicContact CB-CD2 4.33Å; C4-F6 HydrophobicContact CB-CE2 3.46Å; C4-F6 VanDerWaalsContact CB-CE2 3.46Å; C4-F6 HydrophobicContact CB-CZ 3.57Å; C4-C68 HydrophobicContact CB-CB 3.65Å; C4-C68 WeakPolarHBondContact CB-SG 3.28Å; C4-C68 WeakPolarHBondContact SG-CA 2.92Å; C4-C68 WeakPolarHBondContact SG-CB 3.33Å; C4-C68 CovalentContact SG-SG 2.04Å; C4-C68 PolarHBondContact SG-SG 3.49Å |
| 5 | H | 98.1 | Very high | 97 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.3 | 177.7 | -63.5 | -92.2 | 0 | 0 | 0 | 108.6 | E3 F7 V13 R14 | E3-H5 IonicContact OE2-CE1 3.47Å; E3-H5 IonicContact OE2-NE2 3.54Å; E3-H5 PolarHBondContact OE2-NE2 3.38Å; E3-H5 VanDerWaalsContact OE2-NE2 3.07Å; H5-F7 HydrophobicContact CB-CE2 3.89Å; H5-F7 HydrophobicContact CB-CZ 4.09Å; H5-V13 WeakPolarHBondContact O-CA 3.4Å; H5-R14 HydrophobicContact CB-CB 4.32Å; H5-R14 PolarHBondContact N-O 2.97Å; H5-R14 PolarHBondContact O-N 3.11Å |
| 6 | F | 97.8 | Very high | 97 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.6 | -174.3 | -63.6 | -81.8 | 0 | 0 | 0 | 109.9 | C4 G9 T10 V13 C68 Y72 | C4-F6 HydrophobicContact CB-CD2 4.33Å; C4-F6 HydrophobicContact CB-CE2 3.46Å; C4-F6 VanDerWaalsContact CB-CE2 3.46Å; C4-F6 HydrophobicContact CB-CZ 3.57Å; F6-G9 WeakPolarHBondContact CB-O 3.5Å; F6-T10 HydrophobicContact CD1-CG2 4.37Å; F6-V13 HydrophobicContact CD1-CG1 4.13Å; F6-V13 HydrophobicContact CD1-CG2 3.82Å; F6-V13 HydrophobicContact CE1-CG1 3.93Å; F6-V13 HydrophobicContact CE1-CG2 4.1Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.39Å; F6-Y72 HydrophobicContact CB-CE2 4.34Å; F6-Y72 AromaticContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CD2 3.49Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CE2 4.06Å; F6-Y72 HydrophobicContact CD1-CG 4.14Å; F6-Y72 AromaticContact CD2-CD2 3.97Å; F6-Y72 HydrophobicContact CD2-CD2 3.97Å; F6-Y72 HydrophobicContact CD2-CE2 4.46Å; F6-Y72 AromaticContact CE1-CD2 3.53Å; F6-Y72 HydrophobicContact CE1-CD2 3.53Å; F6-Y72 AromaticContact CE1-CG 3.86Å; F6-Y72 HydrophobicContact CE1-CG 3.86Å; F6-Y72 AromaticContact CE2-CD2 3.99Å; F6-Y72 HydrophobicContact CE2-CD2 3.99Å; F6-Y72 AromaticContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CE2 4.03Å; F6-Y72 AromaticContact CZ-CD2 3.78Å; F6-Y72 HydrophobicContact CZ-CD2 3.78Å; F6-Y72 HydrophobicContact CZ-CG 4.22Å |
| 7 | F | 96.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.6 | 177.7 | -54.5 | -86 | 0 | 0 | 0 | 108.8 | H5 G9 R12 | H5-F7 HydrophobicContact CB-CE2 3.89Å; H5-F7 HydrophobicContact CB-CZ 4.09Å; F7-G9 PolarHBondContact O-N 3.26Å; F7-R12 HydrophobicContact CB-CB 4.25Å; F7-R12 HydrophobicContact CD2-CB 4.48Å; F7-R12 HydrophobicContact CD2-CG 4.23Å; F7-R12 PolarHBondContact N-O 3.46Å; F7-R12 PolarHBondContact O-N 3.47Å |
| 8 | N | 94.9 | Very high | 97.2 | Very high | 140 Ų | 140 | 71.4 Ų | 71.4 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 55.1 | -174.4 | -61.7 | -16.8 | 0 | 0 | 0 | 112 | T10 E11 | N8-T10 PolarHBondContact O-N 3.26Å; N8-E11 HydrophobicContact CB-CB 4.46Å |
| 9 | G | 92.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -122.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111 | F6 F7 | F6-G9 WeakPolarHBondContact CB-O 3.5Å; F7-G9 PolarHBondContact O-N 3.26Å |
| 10 | T | 96.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10.1 | -177.3 | 55.7 | 0 | 0 | 0 | 0 | 114 | F6 N8 R69 Y72 | F6-T10 HydrophobicContact CD1-CG2 4.37Å; N8-T10 PolarHBondContact O-N 3.26Å; T10-R69 HydrophobicContact CG2-CG 4.47Å; T10-R69 PolarHBondContact O-NE 2.83Å; T10-Y72 HydrophobicContact CG2-CD1 3.31Å; T10-Y72 HydrophobicContact CG2-CD2 4.21Å; T10-Y72 HydrophobicContact CG2-CE1 3.65Å; T10-Y72 HydrophobicContact CG2-CE2 4.48Å; T10-Y72 HydrophobicContact CG2-CG 3.63Å |
| 11 | E | 95.1 | Very high | 97.1 | Very high | 150 Ų | 150 | 72.3 Ų | 72.3 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -56.7 | 179.1 | -174.8 | -176.6 | -178.4 | 0 | 0 | 110.6 | N8 | N8-E11 HydrophobicContact CB-CB 4.46Š|
| 12 | R | 97.4 | Very high | 97.1 | Very high | 145 Ų | 145 | 72 Ų | 72 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.9 | 171.4 | -177.6 | 179.5 | 178.2 | -176.9 | -1 | 109.7 | F7 D32 | F7-R12 HydrophobicContact CB-CB 4.25Å; F7-R12 HydrophobicContact CD2-CB 4.48Å; F7-R12 HydrophobicContact CD2-CG 4.23Å; F7-R12 PolarHBondContact N-O 3.46Å; F7-R12 PolarHBondContact O-N 3.47Å; R12-D32 IonicContact NH2-OD2 3.82Å; R12-D32 PolarHBondContact NH2-OD2 3.16Å; R12-D32 VanDerWaalsContact NH2-OD2 3.07Å |
| 13 | V | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.7 | -180 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | H5 F6 V64 C68 R69 | H5-V13 WeakPolarHBondContact O-CA 3.4Å; F6-V13 HydrophobicContact CD1-CG1 4.13Å; F6-V13 HydrophobicContact CD1-CG2 3.82Å; F6-V13 HydrophobicContact CE1-CG1 3.93Å; F6-V13 HydrophobicContact CE1-CG2 4.1Å; V13-V64 HydrophobicContact CB-CG1 3.69Å; V13-V64 HydrophobicContact CG1-CG1 3.81Å; V13-V64 WeakPolarHBondContact O-CG1 3.46Å; V13-C68 HydrophobicContact CG1-CB 3.54Å; V13-R69 HydrophobicContact CG2-CG 3.97Å |
| 14 | R | 98.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.3 | 174.1 | -179.4 | -179.3 | 177.4 | -164.1 | 5.2 | 109.8 | H5 L16 D30 S31 | H5-R14 HydrophobicContact CB-CB 4.32Å; H5-R14 PolarHBondContact N-O 2.97Å; H5-R14 PolarHBondContact O-N 3.11Å; R14-L16 HydrophobicContact CG-CD2 4.47Å; R14-D30 IonicContact CZ-OD1 2.8Å; R14-D30 IonicContact CZ-OD2 2.68Å; R14-D30 IonicContact NE-OD1 2.7Å; R14-D30 PolarHBondContact NE-OD1 3.46Å; R14-D30 IonicContact NE-OD2 3.71Å; R14-D30 PolarHBondContact NE-OD2 3.3Å; R14-D30 IonicContact NH2-OD1 3.05Å; R14-D30 IonicContact NH2-OD2 3.66Å; R14-D30 PolarHBondContact NH2-OD2 2.96Å; R14-S31 WeakPolarHBondContact CA-OG 3.45Å |
| 15 | F | 98.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.5 | 175.5 | 173.9 | -110 | 0 | 0 | 0 | 110.2 | Y2 E3 H17 F29 S31 A63 V64 Y67 C68 | Y2-F15 HydrophobicContact CD1-CE2 4.01Å; Y2-F15 AromaticContact CD1-CZ 3.65Å; Y2-F15 HydrophobicContact CD1-CZ 3.65Å; Y2-F15 HydrophobicContact CE1-CZ 4.3Å; E3-F15 WeakPolarHBondContact O-CA 3.34Å; F15-H17 HydrophobicContact CE1-CB 4.04Å; F15-H17 HydrophobicContact CZ-CB 4.1Å; F15-F29 AromaticContact CD1-CD1 3.93Å; F15-F29 HydrophobicContact CD1-CD1 3.93Å; F15-F29 AromaticContact CD1-CE1 3.98Å; F15-F29 HydrophobicContact CD1-CE1 3.98Å; F15-F29 HydrophobicContact CE1-CD1 4.14Å; F15-F29 HydrophobicContact CE1-CE1 4.45Å; F15-S31 PolarHBondContact N-OG 2.83Å; F15-S31 PolarHBondContact O-N 3.48Å; F15-S31 PolarHBondContact O-OG 3Å; F15-A63 HydrophobicContact CD1-CB 3.65Å; F15-A63 HydrophobicContact CD2-CB 4.24Å; F15-A63 HydrophobicContact CE1-CB 3.49Å; F15-A63 VanDerWaalsContact CE1-CB 3.49Å; F15-A63 HydrophobicContact CE2-CB 4.09Å; F15-A63 HydrophobicContact CG-CB 4Å; F15-A63 HydrophobicContact CZ-CB 3.71Å; F15-V64 HydrophobicContact CB-CG2 3.94Å; F15-Y67 HydrophobicContact CE2-CD1 4.15Å; F15-C68 VanDerWaalsContact CD2-SG 3.57Å |
| 16 | L | 98.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.2 | 172.6 | -61.1 | 177.6 | 0 | 0 | 0 | 110 | Y2 E3 R14 R18 F29 D30 | Y2-L16 CarbonylContact C-O 3.53Å; Y2-L16 WeakPolarHBondContact CA-O 3.33Å; E3-L16 HydrophobicContact CB-CB 4.24Å; E3-L16 PolarHBondContact N-O 3.49Å; E3-L16 PolarHBondContact O-N 3.45Å; R14-L16 HydrophobicContact CG-CD2 4.47Å; L16-R18 HydrophobicContact CB-CG 4.31Å; L16-F29 WeakPolarHBondContact CA-O 3.42Å; L16-D30 HydrophobicContact CD2-CB 3.79Å; L16-D30 VanDerWaalsContact CD2-CG 3.46Å |
| 17 | H | 98.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 71 Ų | 71 | 12% | 0.116 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.6 | 163.6 | 172.7 | -159.1 | 0 | 0 | 0 | 108.3 | Y2 F15 R28 F29 Y36 | Y2-H17 HydrophobicContact CD1-CB 3.8Å; Y2-H17 AromaticContact CD1-CD2 3.69Å; Y2-H17 AromaticContact CD1-CG 3.76Å; Y2-H17 HydrophobicContact CE1-CB 3.82Å; Y2-H17 AromaticContact CE1-CD2 3.2Å; Y2-H17 WeakPolarHBondContact CE1-CD2 3.15Å; Y2-H17 AromaticContact CE1-CE1 3.85Å; Y2-H17 AromaticContact CE1-CG 3.3Å; Y2-H17 AromaticContact CE1-ND1 3.69Å; Y2-H17 AromaticContact CE1-NE2 3.57Å; Y2-H17 AromaticContact CZ-CD2 3.75Å; Y2-H17 AromaticContact CZ-NE2 3.7Å; F15-H17 HydrophobicContact CE1-CB 4.04Å; F15-H17 HydrophobicContact CZ-CB 4.1Å; H17-R28 CarbonylContact O-C 3.6Å; H17-R28 VanDerWaalsContact O-CA 3.26Å; H17-R28 WeakPolarHBondContact O-CA 3.19Å; H17-F29 HydrophobicContact CB-CB 4.18Å; H17-F29 PolarHBondContact N-O 3.44Å; H17-F29 PolarHBondContact O-N 2.87Å; H17-Y36 AromaticContact ND1-CE1 3.5Å; H17-Y36 WeakPolarHBondContact ND1-CE1 3.38Å; H17-Y36 AromaticContact ND1-CZ 3.78Å; H17-Y36 PolarHBondContact ND1-OH 2.97Å; H17-Y36 VanDerWaalsContact ND1-OH 3.13Å |
| 18 | R | 98.1 | Very high | 97 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 21% | 0.211 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | -175.5 | -54.5 | 175.8 | 62.5 | -161.3 | -1.4 | 110.7 | K1 E3 L16 I20 E25 R28 | K1-R18 HydrophobicContact CB-CB 4.41Å; K1-R18 PolarHBondContact N-O 3.47Å; K1-R18 PolarHBondContact O-N 3.42Å; E3-R18 WeakPolarHBondContact OE1-CD 3.49Å; E3-R18 IonicContact OE1-CZ 3.21Å; E3-R18 IonicContact OE1-NH1 2.66Å; E3-R18 PolarHBondContact OE1-NH1 3.35Å; L16-R18 HydrophobicContact CB-CG 4.31Å; R18-I20 HydrophobicContact CB-CD1 4.34Å; R18-I20 HydrophobicContact CB-CG1 4.32Å; R18-E25 HydrophobicContact CB-CG 4.43Å; R18-E25 WeakPolarHBondContact CB-OE1 3.43Å; R18-E25 WeakPolarHBondContact CG-OE1 3.37Å; R18-E25 IonicContact CZ-OE1 2.93Å; R18-E25 IonicContact CZ-OE2 2.98Å; R18-E25 VanDerWaalsContact CZ-OE2 3.29Å; R18-E25 IonicContact NE-OE1 2.9Å; R18-E25 PolarHBondContact NE-OE1 3.33Å; R18-E25 IonicContact NE-OE2 3.39Å; R18-E25 PolarHBondContact NE-OE2 2.96Å; R18-E25 IonicContact NH2-OE2 3.07Å; R18-E25 PolarHBondContact NH2-OE2 2.93Å; R18-R28 HydrophobicContact CG-CG 4.32Å |
| 19 | G | 97.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E25 N26 V27 | G19-E25 CarbonylContact O-C 3.52Å; G19-E25 VanDerWaalsContact O-CA 3.3Å; G19-E25 WeakPolarHBondContact O-CA 3.45Å; G19-E25 WeakPolarHBondContact O-CG 3.41Å; G19-N26 PolarHBondContact O-N 3.46Å; G19-N26 PolarHBondContact O-OD1 3.19Å; G19-V27 PolarHBondContact N-O 3.49Å |
| 20 | I | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.4 | -175.3 | -56.4 | 173 | 0 | 0 | 0 | 108.8 | K1 R18 E24 E25 | K1-I20 HydrophobicContact CB-CD1 4.25Å; K1-I20 HydrophobicContact CD-CD1 4.47Å; R18-I20 HydrophobicContact CB-CD1 4.34Å; R18-I20 HydrophobicContact CB-CG1 4.32Å; I20-E24 CarbonylContact C-O 3.54Å; I20-E24 VanDerWaalsContact CA-O 3.3Å; I20-E24 WeakPolarHBondContact CA-O 3.36Å; I20-E25 HydrophobicContact CG1-CB 4.17Å; I20-E25 HydrophobicContact CG1-CG 4.33Å |
| 21 | Y | 95.6 | Very high | 97.5 | Very high | 140 Ų | 140 | 61 Ų | 61 | 55% | 0.549 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.3 | 175.1 | -178.9 | -105.2 | 0 | 0 | 0 | 109.1 | Q23 E24 L42 | Y21-Q23 VanDerWaalsContact C-N 3.25Å; Y21-Q23 PolarHBondContact O-N 3.44Å; Y21-Q23 VanDerWaalsContact O-N 3.17Å; Y21-E24 PolarHBondContact N-O 2.99Å; Y21-E24 WeakPolarHBondContact O-CA 3.21Å; Y21-E24 WeakPolarHBondContact O-CB 3.47Å; Y21-E24 PolarHBondContact O-N 3.4Å; Y21-L42 HydrophobicContact CD1-CD2 4.23Å |
| 22 | N | 94.6 | Very high | 97.7 | Very high | 128 Ų | 128 | 57.8 Ų | 57.8 | 68% | 0.684 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41 | -178.3 | -64.4 | -21.3 | 0 | 0 | 0 | 114.7 | E24 | N22-E24 PolarHBondContact O-N 2.88Š|
| 23 | Q | 95.3 | Very high | 97.7 | Very high | 192 Ų | 192 | 54.1 Ų | 54.1 | 90% | 0.897 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | -3.3 | -175.3 | -48.2 | 177.5 | -2.5 | 0 | 0 | 115.5 | Y21 | Y21-Q23 VanDerWaalsContact C-N 3.25Å; Y21-Q23 PolarHBondContact O-N 3.44Å; Y21-Q23 VanDerWaalsContact O-N 3.17Å |
| 24 | E | 96.7 | Very high | 97.7 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | 170.6 | -172 | -174.5 | 152.8 | 0 | 0 | 109.6 | I20 Y21 N22 N26 T40 | I20-E24 CarbonylContact C-O 3.54Å; I20-E24 VanDerWaalsContact CA-O 3.3Å; I20-E24 WeakPolarHBondContact CA-O 3.36Å; Y21-E24 PolarHBondContact N-O 2.99Å; Y21-E24 WeakPolarHBondContact O-CA 3.21Å; Y21-E24 WeakPolarHBondContact O-CB 3.47Å; Y21-E24 PolarHBondContact O-N 3.4Å; N22-E24 PolarHBondContact O-N 2.88Å; E24-N26 PolarHBondContact O-N 3.49Å; E24-T40 HydrophobicContact CG-CG2 4.11Å; E24-T40 WeakPolarHBondContact OE1-CB 3.19Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.3Å; E24-T40 PolarHBondContact OE1-OG1 3.48Å |
| 25 | E | 98 | Very high | 97.7 | Very high | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.7 | 170.7 | -178.5 | 177.9 | -166.6 | 0 | 0 | 109.8 | R18 G19 I20 R28 V39 | R18-E25 HydrophobicContact CB-CG 4.43Å; R18-E25 WeakPolarHBondContact CB-OE1 3.43Å; R18-E25 WeakPolarHBondContact CG-OE1 3.37Å; R18-E25 IonicContact CZ-OE1 2.93Å; R18-E25 IonicContact CZ-OE2 2.98Å; R18-E25 VanDerWaalsContact CZ-OE2 3.29Å; R18-E25 IonicContact NE-OE1 2.9Å; R18-E25 PolarHBondContact NE-OE1 3.33Å; R18-E25 IonicContact NE-OE2 3.39Å; R18-E25 PolarHBondContact NE-OE2 2.96Å; R18-E25 IonicContact NH2-OE2 3.07Å; R18-E25 PolarHBondContact NH2-OE2 2.93Å; G19-E25 CarbonylContact O-C 3.52Å; G19-E25 VanDerWaalsContact O-CA 3.3Å; G19-E25 WeakPolarHBondContact O-CA 3.45Å; G19-E25 WeakPolarHBondContact O-CG 3.41Å; I20-E25 HydrophobicContact CG1-CB 4.17Å; I20-E25 HydrophobicContact CG1-CG 4.33Å; E25-R28 IonicContact OE1-CZ 3.56Å; E25-R28 VanDerWaalsContact OE1-CZ 3.27Å; E25-R28 IonicContact OE1-NE 3.84Å; E25-R28 PolarHBondContact OE1-NE 3.05Å; E25-R28 IonicContact OE1-NH2 3.61Å; E25-R28 PolarHBondContact OE1-NH2 3.29Å; E25-R28 IonicContact OE2-CZ 2.64Å; E25-R28 IonicContact OE2-NE 3.4Å; E25-R28 IonicContact OE2-NH2 2.75Å; E25-R28 PolarHBondContact OE2-NH2 2.97Å; E25-V39 HydrophobicContact CG-CB 4.35Å; E25-V39 HydrophobicContact CG-CG1 4.41Å; E25-V39 HydrophobicContact CG-CG2 4.07Å; E25-V39 WeakPolarHBondContact O-CB 3.11Å; E25-V39 WeakPolarHBondContact O-CG1 3.38Å |
| 26 | N | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -33.3 | -173.8 | 60.6 | -2.5 | 0 | 0 | 0 | 113 | G19 E24 V39 T40 L42 G43 | G19-N26 PolarHBondContact O-N 3.46Å; G19-N26 PolarHBondContact O-OD1 3.19Å; E24-N26 PolarHBondContact O-N 3.49Å; N26-V39 PolarHBondContact O-N 2.92Å; N26-T40 PolarHBondContact O-N 3.44Å; N26-L42 HydrophobicContact CB-CB 4.23Å; N26-L42 HydrophobicContact CB-CD2 4.3Å; N26-L42 HydrophobicContact CB-CG 4.38Å; N26-G43 WeakPolarHBondContact O-CA 3.41Å |
| 27 | V | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 146.5 | -179.9 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | G19 Y36 R37 D46 A47 W50 | G19-V27 PolarHBondContact N-O 3.49Å; V27-Y36 HydrophobicContact CG2-CD1 4.22Å; V27-R37 CarbonylContact C-O 3.56Å; V27-R37 WeakPolarHBondContact CA-O 3.31Å; V27-D46 HydrophobicContact CG1-CB 4.27Å; V27-D46 HydrophobicContact CG2-CB 4.5Å; V27-A47 HydrophobicContact CG2-CB 4Å; V27-W50 HydrophobicContact CB-CZ3 4.45Å; V27-W50 HydrophobicContact CG1-CE3 4.4Å; V27-W50 HydrophobicContact CG1-CH2 4.01Å; V27-W50 HydrophobicContact CG1-CZ3 3.49Å; V27-W50 VanDerWaalsContact CG1-CZ3 3.49Å; V27-W50 HydrophobicContact CG2-CE3 4.21Å; V27-W50 HydrophobicContact CG2-CZ3 4.05Å |
| 28 | R | 98.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.6 | 179.9 | -178.5 | -174 | -61.8 | 175.1 | 4.6 | 111.7 | H17 R18 E25 Y36 R37 V39 | H17-R28 CarbonylContact O-C 3.6Å; H17-R28 VanDerWaalsContact O-CA 3.26Å; H17-R28 WeakPolarHBondContact O-CA 3.19Å; R18-R28 HydrophobicContact CG-CG 4.32Å; E25-R28 IonicContact OE1-CZ 3.56Å; E25-R28 VanDerWaalsContact OE1-CZ 3.27Å; E25-R28 IonicContact OE1-NE 3.84Å; E25-R28 PolarHBondContact OE1-NE 3.05Å; E25-R28 IonicContact OE1-NH2 3.61Å; E25-R28 PolarHBondContact OE1-NH2 3.29Å; E25-R28 IonicContact OE2-CZ 2.64Å; E25-R28 IonicContact OE2-NE 3.4Å; E25-R28 IonicContact OE2-NH2 2.75Å; E25-R28 PolarHBondContact OE2-NH2 2.97Å; R28-Y36 CarbonylContact O-C 3.59Å; R28-Y36 WeakPolarHBondContact O-CA 3.38Å; R28-R37 PolarHBondContact N-O 3.37Å; R28-R37 PolarHBondContact O-N 3.49Å; R28-V39 HydrophobicContact CB-CG2 3.8Å |
| 29 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.3 | 155.3 | 177.5 | -86.2 | 0 | 0 | 0 | 109.6 | F15 L16 H17 G34 E35 Y36 L57 A60 R61 | F15-F29 AromaticContact CD1-CD1 3.93Å; F15-F29 HydrophobicContact CD1-CD1 3.93Å; F15-F29 AromaticContact CD1-CE1 3.98Å; F15-F29 HydrophobicContact CD1-CE1 3.98Å; F15-F29 HydrophobicContact CE1-CD1 4.14Å; F15-F29 HydrophobicContact CE1-CE1 4.45Å; L16-F29 WeakPolarHBondContact CA-O 3.42Å; H17-F29 HydrophobicContact CB-CB 4.18Å; H17-F29 PolarHBondContact N-O 3.44Å; H17-F29 PolarHBondContact O-N 2.87Å; F29-G34 VanDerWaalsContact CE2-C 3.48Å; F29-E35 VanDerWaalsContact CD2-C 3.5Å; F29-Y36 HydrophobicContact CB-CD1 3.55Å; F29-Y36 HydrophobicContact CB-CD2 4.24Å; F29-Y36 HydrophobicContact CB-CE1 3.45Å; F29-Y36 VanDerWaalsContact CB-CE1 3.45Å; F29-Y36 HydrophobicContact CB-CE2 4.13Å; F29-Y36 HydrophobicContact CB-CG 3.96Å; F29-Y36 AromaticContact CD2-CD2 3.93Å; F29-Y36 HydrophobicContact CD2-CD2 3.93Å; F29-Y36 AromaticContact CD2-CE2 3.9Å; F29-Y36 HydrophobicContact CD2-CE2 3.9Å; F29-Y36 HydrophobicContact CD2-CG 4.34Å; F29-Y36 HydrophobicContact CG-CE1 4.45Å; F29-Y36 HydrophobicContact CG-CE2 4.35Å; F29-L57 HydrophobicContact CD2-CD1 4.29Å; F29-L57 HydrophobicContact CE2-CD1 3.89Å; F29-A60 HydrophobicContact CD1-CB 4.04Å; F29-A60 HydrophobicContact CD2-CB 3.8Å; F29-A60 HydrophobicContact CE1-CB 3.95Å; F29-A60 VanDerWaalsContact CE1-O 3.31Å; F29-A60 WeakPolarHBondContact CE1-O 3.45Å; F29-A60 HydrophobicContact CE2-CB 3.69Å; F29-A60 HydrophobicContact CG-CB 3.98Å; F29-A60 HydrophobicContact CZ-CB 3.78Å; F29-R61 HydrophobicContact CE2-CG 4.17Å; F29-R61 HydrophobicContact CZ-CB 4.44Å; F29-R61 HydrophobicContact CZ-CG 3.83Å |
| 30 | D | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 63 Ų | 63 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.2 | 176.8 | -172.6 | -16.8 | 0 | 0 | 0 | 108.8 | R14 L16 D32 V33 G34 | R14-D30 IonicContact CZ-OD1 2.8Å; R14-D30 IonicContact CZ-OD2 2.68Å; R14-D30 IonicContact NE-OD1 2.7Å; R14-D30 PolarHBondContact NE-OD1 3.46Å; R14-D30 IonicContact NE-OD2 3.71Å; R14-D30 PolarHBondContact NE-OD2 3.3Å; R14-D30 IonicContact NH2-OD1 3.05Å; R14-D30 IonicContact NH2-OD2 3.66Å; R14-D30 PolarHBondContact NH2-OD2 2.96Å; L16-D30 HydrophobicContact CD2-CB 3.79Å; L16-D30 VanDerWaalsContact CD2-CG 3.46Å; D30-D32 PolarHBondContact O-N 3.23Å; D30-D32 PolarHBondContact OD1-N 3.28Å; D30-D32 VanDerWaalsContact OD1-N 3.12Å; D30-V33 HydrophobicContact CB-CB 4.26Å; D30-V33 HydrophobicContact CB-CG2 3.97Å; D30-V33 CarbonylContact O-C 3.57Å; D30-V33 PolarHBondContact O-N 3.05Å; D30-G34 PolarHBondContact O-N 2.99Å |
| 31 | S | 98.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28 | -178.2 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | R14 F15 V33 | R14-S31 WeakPolarHBondContact CA-OG 3.45Å; F15-S31 PolarHBondContact N-OG 2.83Å; F15-S31 PolarHBondContact O-N 3.48Å; F15-S31 PolarHBondContact O-OG 3Å; S31-V33 PolarHBondContact O-N 3.15Å |
| 32 | D | 98 | Very high | 97.6 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.3 | 177.1 | -74.1 | 10.6 | 0 | 0 | 0 | 111.5 | R12 D30 | R12-D32 IonicContact NH2-OD2 3.82Å; R12-D32 PolarHBondContact NH2-OD2 3.16Å; R12-D32 VanDerWaalsContact NH2-OD2 3.07Å; D30-D32 PolarHBondContact O-N 3.23Å; D30-D32 PolarHBondContact OD1-N 3.28Å; D30-D32 VanDerWaalsContact OD1-N 3.12Å |
| 33 | V | 98.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -38.2 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | D30 S31 E35 | D30-V33 HydrophobicContact CB-CB 4.26Å; D30-V33 HydrophobicContact CB-CG2 3.97Å; D30-V33 CarbonylContact O-C 3.57Å; D30-V33 PolarHBondContact O-N 3.05Å; S31-V33 PolarHBondContact O-N 3.15Å; V33-E35 HydrophobicContact CG1-CG 4.03Å |
| 34 | G | 97.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 14.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F29 D30 L57 R61 | F29-G34 VanDerWaalsContact CE2-C 3.48Å; D30-G34 PolarHBondContact O-N 2.99Å; G34-L57 WeakPolarHBondContact O-CD1 3.46Å; G34-R61 VanDerWaalsContact O-CZ 3.31Å; G34-R61 PolarHBondContact O-NE 3.08Å; G34-R61 PolarHBondContact O-NH2 3.43Å |
| 35 | E | 98.3 | Very high | 98 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 164.8 | 177.9 | 75.5 | -167.5 | 173.3 | 0 | 0 | 112.4 | F29 V33 R37 L57 | F29-E35 VanDerWaalsContact CD2-C 3.5Å; V33-E35 HydrophobicContact CG1-CG 4.03Å; E35-R37 HydrophobicContact CG-CG 4.21Å; E35-R37 IonicContact OE1-CZ 3.85Å; E35-R37 IonicContact OE1-NE 3.29Å; E35-R37 PolarHBondContact OE1-NE 3.04Å; E35-R37 IonicContact OE1-NH2 2.7Å; E35-R37 PolarHBondContact OE1-NH2 3.48Å; E35-L57 HydrophobicContact CB-CD1 4.35Å |
| 36 | Y | 98.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.5 | 171.6 | -71.2 | -90.9 | 0 | 0 | 0 | 110.5 | H17 V27 R28 F29 W50 N51 I56 L57 A60 | H17-Y36 AromaticContact ND1-CE1 3.5Å; H17-Y36 WeakPolarHBondContact ND1-CE1 3.38Å; H17-Y36 AromaticContact ND1-CZ 3.78Å; H17-Y36 PolarHBondContact ND1-OH 2.97Å; H17-Y36 VanDerWaalsContact ND1-OH 3.13Å; V27-Y36 HydrophobicContact CG2-CD1 4.22Å; R28-Y36 CarbonylContact O-C 3.59Å; R28-Y36 WeakPolarHBondContact O-CA 3.38Å; F29-Y36 HydrophobicContact CB-CD1 3.55Å; F29-Y36 HydrophobicContact CB-CD2 4.24Å; F29-Y36 HydrophobicContact CB-CE1 3.45Å; F29-Y36 VanDerWaalsContact CB-CE1 3.45Å; F29-Y36 HydrophobicContact CB-CE2 4.13Å; F29-Y36 HydrophobicContact CB-CG 3.96Å; F29-Y36 AromaticContact CD2-CD2 3.93Å; F29-Y36 HydrophobicContact CD2-CD2 3.93Å; F29-Y36 AromaticContact CD2-CE2 3.9Å; F29-Y36 HydrophobicContact CD2-CE2 3.9Å; F29-Y36 HydrophobicContact CD2-CG 4.34Å; F29-Y36 HydrophobicContact CG-CE1 4.45Å; F29-Y36 HydrophobicContact CG-CE2 4.35Å; Y36-W50 HydrophobicContact CD1-CD2 4.34Å; Y36-W50 AromaticContact CD1-CE3 3.29Å; Y36-W50 HydrophobicContact CD1-CE3 3.29Å; Y36-W50 AromaticContact CD1-CZ3 3.78Å; Y36-W50 HydrophobicContact CD1-CZ3 3.78Å; Y36-W50 HydrophobicContact CD2-CB 3.74Å; Y36-W50 HydrophobicContact CD2-CE3 4.43Å; Y36-W50 HydrophobicContact CE1-CD2 4.25Å; Y36-W50 AromaticContact CE1-CE3 3.36Å; Y36-W50 HydrophobicContact CE1-CE3 3.36Å; Y36-W50 AromaticContact CE1-CZ3 3.68Å; Y36-W50 HydrophobicContact CE1-CZ3 3.68Å; Y36-W50 HydrophobicContact CE2-CB 4.01Å; Y36-W50 HydrophobicContact CG-CB 4.06Å; Y36-W50 AromaticContact CG-CE3 3.86Å; Y36-W50 HydrophobicContact CG-CE3 3.86Å; Y36-N51 WeakPolarHBondContact CB-OD1 3.47Å; Y36-N51 PolarHBondContact N-OD1 3.14Å; Y36-N51 PolarHBondContact O-ND2 3.27Å; Y36-I56 HydrophobicContact CE2-CG2 4.27Å; Y36-L57 HydrophobicContact CD2-CD1 4.38Å; Y36-A60 HydrophobicContact CE2-CB 4.13Å |
| 37 | R | 98.5 | Very high | 98 | Very high | 140 Ų | 140 | 54.9 Ų | 54.9 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.7 | 173 | -67.4 | -162.7 | 174.4 | 179.5 | 2.3 | 110.9 | V27 R28 E35 V39 | V27-R37 CarbonylContact C-O 3.56Å; V27-R37 WeakPolarHBondContact CA-O 3.31Å; R28-R37 PolarHBondContact N-O 3.37Å; R28-R37 PolarHBondContact O-N 3.49Å; E35-R37 HydrophobicContact CG-CG 4.21Å; E35-R37 IonicContact OE1-CZ 3.85Å; E35-R37 IonicContact OE1-NE 3.29Å; E35-R37 PolarHBondContact OE1-NE 3.04Å; E35-R37 IonicContact OE1-NH2 2.7Å; E35-R37 PolarHBondContact OE1-NH2 3.48Å; R37-V39 PolarHBondContact O-N 3.07Å |
| 38 | A | 98 | Very high | 98 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 123.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R44 A47 | A38-R44 HydrophobicContact CB-CB 4.27Å; A38-A47 HydrophobicContact CB-CB 4.31Å |
| 39 | V | 98 | Very high | 97.9 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -86 | -33.2 | 171.6 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | E25 N26 R28 R37 | E25-V39 HydrophobicContact CG-CB 4.35Å; E25-V39 HydrophobicContact CG-CG1 4.41Å; E25-V39 HydrophobicContact CG-CG2 4.07Å; E25-V39 WeakPolarHBondContact O-CB 3.11Å; E25-V39 WeakPolarHBondContact O-CG1 3.38Å; N26-V39 PolarHBondContact O-N 2.92Å; R28-V39 HydrophobicContact CB-CG2 3.8Å; R37-V39 PolarHBondContact O-N 3.07Å |
| 40 | T | 97.5 | Very high | 97.9 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 23% | 0.233 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -132.7 | 167.4 | 171.6 | 72 | 0 | 0 | 0 | 0 | 110.8 | E24 N26 L42 G43 | E24-T40 HydrophobicContact CG-CG2 4.11Å; E24-T40 WeakPolarHBondContact OE1-CB 3.19Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.3Å; E24-T40 PolarHBondContact OE1-OG1 3.48Å; N26-T40 PolarHBondContact O-N 3.44Å; T40-L42 PolarHBondContact O-N 3.45Å; T40-L42 VanDerWaalsContact O-N 3.14Å; T40-G43 PolarHBondContact O-N 3.11Å |
| 41 | E | 96 | Very high | 97.9 | Very high | 133 Ų | 133 | 67.7 Ų | 67.7 | 62% | 0.621 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -54.7 | -33.9 | -178.5 | -69.1 | -64.4 | 117.2 | 0 | 0 | 112.8 | G43 R44 | E41-G43 PolarHBondContact O-N 3.01Å; E41-R44 WeakPolarHBondContact O-CB 3.35Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-R44 IonicContact OE1-CZ 3.4Å; E41-R44 IonicContact OE1-NH2 3.74Å; E41-R44 PolarHBondContact OE1-NH2 3.1Å; E41-R44 IonicContact OE2-CZ 3.27Å; E41-R44 IonicContact OE2-NH1 3.75Å; E41-R44 IonicContact OE2-NH2 2.69Å; E41-R44 PolarHBondContact OE2-NH2 3.43Å |
| 42 | L | 96.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -60 | -33 | 178.9 | -177.4 | 63.9 | 0 | 0 | 0 | 112.7 | Y21 N26 T40 P45 | Y21-L42 HydrophobicContact CD1-CD2 4.23Å; N26-L42 HydrophobicContact CB-CB 4.23Å; N26-L42 HydrophobicContact CB-CD2 4.3Å; N26-L42 HydrophobicContact CB-CG 4.38Å; T40-L42 PolarHBondContact O-N 3.45Å; T40-L42 VanDerWaalsContact O-N 3.14Å; L42-P45 WeakPolarHBondContact O-CD 3.42Å |
| 43 | G | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -88.1 | 0.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | N26 T40 E41 D46 A47 | N26-G43 WeakPolarHBondContact O-CA 3.41Å; T40-G43 PolarHBondContact O-N 3.11Å; E41-G43 PolarHBondContact O-N 3.01Å; G43-D46 PolarHBondContact O-N 3.31Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.12Å |
| 44 | R | 98.1 | Very high | 97.8 | Very high | 117 Ų | 117 | 74.1 Ų | 74.1 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 178.7 | -173.3 | -176.2 | -63.5 | 163.6 | 3.1 | 112.7 | A38 E41 D46 A47 E48 | A38-R44 HydrophobicContact CB-CB 4.27Å; E41-R44 WeakPolarHBondContact O-CB 3.35Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-R44 IonicContact OE1-CZ 3.4Å; E41-R44 IonicContact OE1-NH2 3.74Å; E41-R44 PolarHBondContact OE1-NH2 3.1Å; E41-R44 IonicContact OE2-CZ 3.27Å; E41-R44 IonicContact OE2-NH1 3.75Å; E41-R44 IonicContact OE2-NH2 2.69Å; E41-R44 PolarHBondContact OE2-NH2 3.43Å; R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 PolarHBondContact O-N 3.08Å; R44-A47 PolarHBondContact O-N 3.01Å; R44-E48 WeakPolarHBondContact CG-OE1 3.26Å; R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 3.34Å |
| 45 | P | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 78.7 Ų | 78.7 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.4 | -22.2 | 34.6 | 0 | 0 | 0 | 112.4 | L42 Y49 | L42-P45 WeakPolarHBondContact O-CD 3.42Å; P45-Y49 VanDerWaalsContact O-CB 3.25Å; P45-Y49 WeakPolarHBondContact O-CB 3.29Å; P45-Y49 PolarHBondContact O-N 3.17Å |
| 46 | D | 97.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 77.7 Ų | 77.7 | 33% | 0.326 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 179.8 | -66 | -29.2 | 0 | 0 | 0 | 111.7 | V27 G43 R44 Y49 W50 | V27-D46 HydrophobicContact CG1-CB 4.27Å; V27-D46 HydrophobicContact CG2-CB 4.5Å; G43-D46 PolarHBondContact O-N 3.31Å; R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 PolarHBondContact O-N 3.08Å; D46-Y49 PolarHBondContact O-N 2.95Å; D46-W50 HydrophobicContact CB-CE3 4.39Å; D46-W50 HydrophobicContact CB-CZ3 4.41Å; D46-W50 WeakPolarHBondContact O-CB 3.31Å; D46-W50 PolarHBondContact O-N 3.05Å |
| 47 | A | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 77.9 Ų | 77.9 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V27 A38 G43 R44 N51 | V27-A47 HydrophobicContact CG2-CB 4Å; A38-A47 HydrophobicContact CB-CB 4.31Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.12Å; R44-A47 PolarHBondContact O-N 3.01Å; A47-N51 VanDerWaalsContact O-CB 3.26Å; A47-N51 WeakPolarHBondContact O-CB 3.46Å; A47-N51 PolarHBondContact O-N 3.27Å; A47-N51 PolarHBondContact O-ND2 3.1Å |
| 48 | E | 97.9 | Very high | 97.7 | Very high | 128 Ų | 128 | 76.1 Ų | 76.1 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62 | -47.5 | 176.6 | -72.4 | 174.1 | -169.3 | 0 | 0 | 111.4 | R44 S52 | R44-E48 WeakPolarHBondContact CG-OE1 3.26Å; R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 3.34Å; E48-S52 PolarHBondContact O-N 3.43Å; E48-S52 VanDerWaalsContact O-N 3.11Å |
| 49 | Y | 98 | Very high | 97.7 | Very high | 131 Ų | 131 | 81.2 Ų | 81.2 | 51% | 0.514 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -52.7 | 179.6 | 178.8 | -108.3 | 0 | 0 | 0 | 111.6 | P45 D46 N51 S52 Q53 | P45-Y49 VanDerWaalsContact O-CB 3.25Å; P45-Y49 WeakPolarHBondContact O-CB 3.29Å; P45-Y49 PolarHBondContact O-N 3.17Å; D46-Y49 PolarHBondContact O-N 2.95Å; Y49-N51 VanDerWaalsContact C-N 3.35Å; Y49-N51 PolarHBondContact O-N 3.48Å; Y49-S52 WeakPolarHBondContact O-CB 3.17Å; Y49-S52 PolarHBondContact O-N 3.34Å; Y49-S52 VanDerWaalsContact O-N 3.07Å; Y49-S52 PolarHBondContact O-OG 2.88Å; Y49-Q53 HydrophobicContact CE1-CG 4.35Å; Y49-Q53 HydrophobicContact CE2-CG 4.38Å; Y49-Q53 WeakPolarHBondContact O-CG 3.3Å; Y49-Q53 PolarHBondContact O-N 3.47Å |
| 50 | W | 98 | Very high | 97.7 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -32.9 | -177.7 | -67 | -23.2 | 0 | 0 | 0 | 113.5 | V27 Y36 D46 S52 Q53 | V27-W50 HydrophobicContact CB-CZ3 4.45Å; V27-W50 HydrophobicContact CG1-CE3 4.4Å; V27-W50 HydrophobicContact CG1-CH2 4.01Å; V27-W50 HydrophobicContact CG1-CZ3 3.49Å; V27-W50 VanDerWaalsContact CG1-CZ3 3.49Å; V27-W50 HydrophobicContact CG2-CE3 4.21Å; V27-W50 HydrophobicContact CG2-CZ3 4.05Å; Y36-W50 HydrophobicContact CD1-CD2 4.34Å; Y36-W50 AromaticContact CD1-CE3 3.29Å; Y36-W50 HydrophobicContact CD1-CE3 3.29Å; Y36-W50 AromaticContact CD1-CZ3 3.78Å; Y36-W50 HydrophobicContact CD1-CZ3 3.78Å; Y36-W50 HydrophobicContact CD2-CB 3.74Å; Y36-W50 HydrophobicContact CD2-CE3 4.43Å; Y36-W50 HydrophobicContact CE1-CD2 4.25Å; Y36-W50 AromaticContact CE1-CE3 3.36Å; Y36-W50 HydrophobicContact CE1-CE3 3.36Å; Y36-W50 AromaticContact CE1-CZ3 3.68Å; Y36-W50 HydrophobicContact CE1-CZ3 3.68Å; Y36-W50 HydrophobicContact CE2-CB 4.01Å; Y36-W50 HydrophobicContact CG-CB 4.06Å; Y36-W50 AromaticContact CG-CE3 3.86Å; Y36-W50 HydrophobicContact CG-CE3 3.86Å; D46-W50 HydrophobicContact CB-CE3 4.39Å; D46-W50 HydrophobicContact CB-CZ3 4.41Å; D46-W50 WeakPolarHBondContact O-CB 3.31Å; D46-W50 PolarHBondContact O-N 3.05Å; W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 2.99Å; W50-Q53 PolarHBondContact O-N 2.85Å |
| 51 | N | 98.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 81.4 Ų | 81.4 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.7 | -24.5 | 173.3 | -71.8 | -27.5 | 0 | 0 | 0 | 112.9 | Y36 A47 Y49 Q53 | Y36-N51 WeakPolarHBondContact CB-OD1 3.47Å; Y36-N51 PolarHBondContact N-OD1 3.14Å; Y36-N51 PolarHBondContact O-ND2 3.27Å; A47-N51 VanDerWaalsContact O-CB 3.26Å; A47-N51 WeakPolarHBondContact O-CB 3.46Å; A47-N51 PolarHBondContact O-N 3.27Å; A47-N51 PolarHBondContact O-ND2 3.1Å; Y49-N51 VanDerWaalsContact C-N 3.35Å; Y49-N51 PolarHBondContact O-N 3.48Å; N51-Q53 VanDerWaalsContact C-N 3.34Å |
| 52 | S | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 77 Ų | 77 | 51% | 0.51 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.1 | -24.6 | 174.6 | 80 | 0 | 0 | 0 | 0 | 113.2 | E48 Y49 W50 K54 | E48-S52 PolarHBondContact O-N 3.43Å; E48-S52 VanDerWaalsContact O-N 3.11Å; Y49-S52 WeakPolarHBondContact O-CB 3.17Å; Y49-S52 PolarHBondContact O-N 3.34Å; Y49-S52 VanDerWaalsContact O-N 3.07Å; Y49-S52 PolarHBondContact O-OG 2.88Å; W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 2.99Å; S52-K54 PolarHBondContact O-N 3.42Å |
| 53 | Q | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 73 Ų | 73 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | trans | -88.1 | 98.1 | 179.7 | -58.2 | -57.3 | -64.6 | 0 | 0 | 110.1 | Y49 W50 N51 D55 I56 L57 | Y49-Q53 HydrophobicContact CE1-CG 4.35Å; Y49-Q53 HydrophobicContact CE2-CG 4.38Å; Y49-Q53 WeakPolarHBondContact O-CG 3.3Å; Y49-Q53 PolarHBondContact O-N 3.47Å; W50-Q53 PolarHBondContact O-N 2.85Å; N51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 PolarHBondContact O-N 3.49Å; Q53-I56 HydrophobicContact CB-CB 3.96Å; Q53-I56 HydrophobicContact CB-CD1 3.68Å; Q53-I56 HydrophobicContact CB-CG1 3.81Å; Q53-I56 HydrophobicContact CG-CD1 3.91Å; Q53-I56 PolarHBondContact O-N 2.67Å; Q53-L57 PolarHBondContact O-N 2.92Å | ||
| 54 | K | 96.8 | Very high | 98 | Very high | 174 Ų | 174 | 73.7 Ų | 73.7 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | -173.7 | -70.3 | -173.3 | 177.7 | -178.5 | 0 | 113.5 | S52 L57 E58 | S52-K54 PolarHBondContact O-N 3.42Å; K54-L57 PolarHBondContact O-N 3.32Å; K54-E58 WeakPolarHBondContact O-CB 3.37Å; K54-E58 VanDerWaalsContact O-CG 3.31Å; K54-E58 WeakPolarHBondContact O-CG 3.01Å; K54-E58 PolarHBondContact O-N 3.37Å |
| 55 | D | 97.6 | Very high | 98 | Very high | 109 Ų | 109 | 72.6 Ų | 72.6 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 177.1 | 58.7 | -32.8 | 0 | 0 | 0 | 112.1 | Q53 Q59 | Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 PolarHBondContact O-N 3.49Å; D55-Q59 WeakPolarHBondContact O-CB 3.02Å; D55-Q59 PolarHBondContact O-N 3.18Å |
| 56 | I | 96.9 | Very high | 98 | Very high | 48 Ų | 48 | 73.1 Ų | 73.1 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.2 | -61.3 | -177.2 | 0 | 0 | 0 | 110.7 | Y36 Q53 Q59 A60 | Y36-I56 HydrophobicContact CE2-CG2 4.27Å; Q53-I56 HydrophobicContact CB-CB 3.96Å; Q53-I56 HydrophobicContact CB-CD1 3.68Å; Q53-I56 HydrophobicContact CB-CG1 3.81Å; Q53-I56 HydrophobicContact CG-CD1 3.91Å; Q53-I56 PolarHBondContact O-N 2.67Å; I56-Q59 PolarHBondContact O-N 3.06Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 3.14Å |
| 57 | L | 97.9 | Very high | 98 | Very high | 18 Ų | 18 | 75.5 Ų | 75.5 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | -178 | -176.1 | 59.2 | 0 | 0 | 0 | 112 | F29 G34 E35 Y36 Q53 K54 A60 R61 | F29-L57 HydrophobicContact CD2-CD1 4.29Å; F29-L57 HydrophobicContact CE2-CD1 3.89Å; G34-L57 WeakPolarHBondContact O-CD1 3.46Å; E35-L57 HydrophobicContact CB-CD1 4.35Å; Y36-L57 HydrophobicContact CD2-CD1 4.38Å; Q53-L57 PolarHBondContact O-N 2.92Å; K54-L57 PolarHBondContact O-N 3.32Å; L57-A60 PolarHBondContact O-N 2.81Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.17Å |
| 58 | E | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.7 | -70.9 | -54.9 | 129.9 | 0 | 0 | 112 | K54 A60 R61 A62 | K54-E58 WeakPolarHBondContact O-CB 3.37Å; K54-E58 VanDerWaalsContact O-CG 3.31Å; K54-E58 WeakPolarHBondContact O-CG 3.01Å; K54-E58 PolarHBondContact O-N 3.37Å; E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 2.93Å; E58-R61 PolarHBondContact O-N 3.16Å; E58-R61 IonicContact OE1-CZ 2.99Å; E58-R61 IonicContact OE1-NH1 3.07Å; E58-R61 PolarHBondContact OE1-NH1 3.27Å; E58-A62 WeakPolarHBondContact O-CB 3.46Å; E58-A62 PolarHBondContact O-N 3Å |
| 59 | Q | 98.1 | Very high | 98.1 | Very high | 148 Ų | 148 | 72.5 Ų | 72.5 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 174.1 | -172.8 | 179 | -1.4 | 0 | 0 | 111.7 | D55 I56 A62 A63 | D55-Q59 WeakPolarHBondContact O-CB 3.02Å; D55-Q59 PolarHBondContact O-N 3.18Å; I56-Q59 PolarHBondContact O-N 3.06Å; Q59-A62 PolarHBondContact O-N 3.03Å; Q59-A63 PolarHBondContact O-N 3.27Å; Q59-A63 VanDerWaalsContact O-N 3.1Å |
| 60 | A | 98 | Very high | 98.1 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F29 Y36 I56 L57 E58 A63 | F29-A60 HydrophobicContact CD1-CB 4.04Å; F29-A60 HydrophobicContact CD2-CB 3.8Å; F29-A60 HydrophobicContact CE1-CB 3.95Å; F29-A60 VanDerWaalsContact CE1-O 3.31Å; F29-A60 WeakPolarHBondContact CE1-O 3.45Å; F29-A60 HydrophobicContact CE2-CB 3.69Å; F29-A60 HydrophobicContact CG-CB 3.98Å; F29-A60 HydrophobicContact CZ-CB 3.78Å; Y36-A60 HydrophobicContact CE2-CB 4.13Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 2.81Å; E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 2.93Å; A60-A63 VanDerWaalsContact O-CB 3.3Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 2.77Å |
| 61 | R | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 72.1 Ų | 72.1 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.6 | -70.9 | 166.5 | 177.8 | 175.3 | -3.3 | 111.7 | F29 G34 L57 E58 A63 | F29-R61 HydrophobicContact CE2-CG 4.17Å; F29-R61 HydrophobicContact CZ-CB 4.44Å; F29-R61 HydrophobicContact CZ-CG 3.83Å; G34-R61 VanDerWaalsContact O-CZ 3.31Å; G34-R61 PolarHBondContact O-NE 3.08Å; G34-R61 PolarHBondContact O-NH2 3.43Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.17Å; E58-R61 PolarHBondContact O-N 3.16Å; E58-R61 IonicContact OE1-CZ 2.99Å; E58-R61 IonicContact OE1-NH1 3.07Å; E58-R61 PolarHBondContact OE1-NH1 3.27Å; R61-A63 PolarHBondContact O-N 2.94Å |
| 62 | A | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 35% | 0.347 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.8 | -13.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E58 Q59 V64 D65 T66 | E58-A62 WeakPolarHBondContact O-CB 3.46Å; E58-A62 PolarHBondContact O-N 3Å; Q59-A62 PolarHBondContact O-N 3.03Å; A62-V64 PolarHBondContact O-N 2.8Å; A62-D65 PolarHBondContact O-N 2.9Å; A62-D65 VanDerWaalsContact O-N 3.14Å; A62-T66 HydrophobicContact CB-CG2 4.27Å; A62-T66 WeakPolarHBondContact O-CB 3.5Å; A62-T66 WeakPolarHBondContact O-CG2 3.46Å; A62-T66 PolarHBondContact O-N 2.82Å; A62-T66 PolarHBondContact O-OG1 3.5Å |
| 63 | A | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -22.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F15 Q59 A60 R61 D65 Y67 C68 | F15-A63 HydrophobicContact CD1-CB 3.65Å; F15-A63 HydrophobicContact CD2-CB 4.24Å; F15-A63 HydrophobicContact CE1-CB 3.49Å; F15-A63 VanDerWaalsContact CE1-CB 3.49Å; F15-A63 HydrophobicContact CE2-CB 4.09Å; F15-A63 HydrophobicContact CG-CB 4Å; F15-A63 HydrophobicContact CZ-CB 3.71Å; Q59-A63 PolarHBondContact O-N 3.27Å; Q59-A63 VanDerWaalsContact O-N 3.1Å; A60-A63 VanDerWaalsContact O-CB 3.3Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 2.77Å; R61-A63 PolarHBondContact O-N 2.94Å; A63-D65 VanDerWaalsContact C-N 3.28Å; A63-D65 PolarHBondContact O-N 2.83Å; A63-Y67 WeakPolarHBondContact O-CA 3.06Å; A63-Y67 VanDerWaalsContact O-CB 3.29Å; A63-Y67 WeakPolarHBondContact O-CB 3.48Å; A63-Y67 PolarHBondContact O-N 2.97Å; A63-Y67 VanDerWaalsContact O-N 3.08Å; A63-C68 PolarHBondContact O-N 2.86Å |
| 64 | V | 98.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -58 | -44.3 | 173.2 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | V13 F15 A62 C68 R69 | V13-V64 HydrophobicContact CB-CG1 3.69Å; V13-V64 HydrophobicContact CG1-CG1 3.81Å; V13-V64 WeakPolarHBondContact O-CG1 3.46Å; F15-V64 HydrophobicContact CB-CG2 3.94Å; A62-V64 PolarHBondContact O-N 2.8Å; V64-C68 VanDerWaalsContact O-CB 3.31Å; V64-C68 WeakPolarHBondContact O-CB 3.32Å; V64-R69 VanDerWaalsContact CG1-NH1 3.27Å; V64-R69 PolarHBondContact O-N 3Å |
| 65 | D | 98.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 64.2 Ų | 64.2 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -87.8 | -54 | -179.8 | -71.5 | -62.3 | 0 | 0 | 0 | 112.3 | A62 A63 Y67 R69 H70 | A62-D65 PolarHBondContact O-N 2.9Å; A62-D65 VanDerWaalsContact O-N 3.14Å; A63-D65 VanDerWaalsContact C-N 3.28Å; A63-D65 PolarHBondContact O-N 2.83Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 2.77Å; D65-R69 VanDerWaalsContact CG-NH1 3.25Å; D65-R69 WeakPolarHBondContact OD1-CD 3.41Å; D65-R69 IonicContact OD1-CZ 3.05Å; D65-R69 IonicContact OD1-NE 3.97Å; D65-R69 IonicContact OD1-NH1 2.94Å; D65-R69 PolarHBondContact OD1-NH1 3.13Å; D65-R69 IonicContact OD2-NH1 3.92Å; D65-R69 PolarHBondContact OD2-NH1 3.06Å; D65-H70 PolarHBondContact O-N 2.87Å; D65-H70 VanDerWaalsContact O-N 3.1Å |
| 66 | T | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 61.8 Ų | 61.8 | 56% | 0.564 | 33% | 0.328 | S | S | * | . | I | π-helix | trans | -71.4 | -25.8 | -170 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | A62 H70 | A62-T66 HydrophobicContact CB-CG2 4.27Å; A62-T66 WeakPolarHBondContact O-CB 3.5Å; A62-T66 WeakPolarHBondContact O-CG2 3.46Å; A62-T66 PolarHBondContact O-N 2.82Å; A62-T66 PolarHBondContact O-OG1 3.5Å; T66-H70 VanDerWaalsContact O-CB 3.24Å; T66-H70 WeakPolarHBondContact O-CB 3.42Å |
| 67 | Y | 97.9 | Very high | 97.8 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -112.3 | -59.6 | 178.6 | -177.8 | -98.8 | 0 | 0 | 0 | 111.6 | F15 A63 D65 N71 | F15-Y67 HydrophobicContact CE2-CD1 4.15Å; A63-Y67 WeakPolarHBondContact O-CA 3.06Å; A63-Y67 VanDerWaalsContact O-CB 3.29Å; A63-Y67 WeakPolarHBondContact O-CB 3.48Å; A63-Y67 PolarHBondContact O-N 2.97Å; A63-Y67 VanDerWaalsContact O-N 3.08Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 2.77Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.1Å; Y67-N71 VanDerWaalsContact O-CB 3.24Å; Y67-N71 WeakPolarHBondContact O-CB 3.49Å; Y67-N71 PolarHBondContact O-N 3.06Å; Y67-N71 PolarHBondContact O-ND2 3.38Å |
| 68 | C | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -68.5 | -58 | -172.2 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | C4 F6 V13 F15 A63 V64 H70 N71 Y72 | C4-C68 HydrophobicContact CB-CB 3.65Å; C4-C68 WeakPolarHBondContact CB-SG 3.28Å; C4-C68 WeakPolarHBondContact SG-CA 2.92Å; C4-C68 WeakPolarHBondContact SG-CB 3.33Å; C4-C68 CovalentContact SG-SG 2.04Å; C4-C68 PolarHBondContact SG-SG 3.49Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.39Å; V13-C68 HydrophobicContact CG1-CB 3.54Å; F15-C68 VanDerWaalsContact CD2-SG 3.57Å; A63-C68 PolarHBondContact O-N 2.86Å; V64-C68 VanDerWaalsContact O-CB 3.31Å; V64-C68 WeakPolarHBondContact O-CB 3.32Å; C68-H70 PolarHBondContact O-N 3.44Å; C68-N71 PolarHBondContact O-N 3.35Å; C68-Y72 VanDerWaalsContact O-CB 3.31Å; C68-Y72 WeakPolarHBondContact O-CB 3.39Å; C68-Y72 PolarHBondContact O-N 2.83Å |
| 69 | R | 98.5 | Very high | 97.5 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -64.6 | -40.9 | 179.7 | -69.7 | -170.6 | -175.7 | 90.3 | 3.5 | 112.1 | T10 V13 V64 D65 Y72 G73 | T10-R69 HydrophobicContact CG2-CG 4.47Å; T10-R69 PolarHBondContact O-NE 2.83Å; V13-R69 HydrophobicContact CG2-CG 3.97Å; V64-R69 VanDerWaalsContact CG1-NH1 3.27Å; V64-R69 PolarHBondContact O-N 3Å; D65-R69 VanDerWaalsContact CG-NH1 3.25Å; D65-R69 WeakPolarHBondContact OD1-CD 3.41Å; D65-R69 IonicContact OD1-CZ 3.05Å; D65-R69 IonicContact OD1-NE 3.97Å; D65-R69 IonicContact OD1-NH1 2.94Å; D65-R69 PolarHBondContact OD1-NH1 3.13Å; D65-R69 IonicContact OD2-NH1 3.92Å; D65-R69 PolarHBondContact OD2-NH1 3.06Å; R69-Y72 PolarHBondContact O-N 2.8Å; R69-G73 PolarHBondContact O-N 2.85Å |
| 70 | H | 97.8 | Very high | 97.4 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -55.8 | -54.3 | 175.6 | 179.5 | 72.6 | 0 | 0 | 0 | 112.1 | D65 T66 C68 G73 A74 | D65-H70 PolarHBondContact O-N 2.87Å; D65-H70 VanDerWaalsContact O-N 3.1Å; T66-H70 VanDerWaalsContact O-CB 3.24Å; T66-H70 WeakPolarHBondContact O-CB 3.42Å; C68-H70 PolarHBondContact O-N 3.44Å; H70-G73 PolarHBondContact O-N 3.05Å; H70-A74 WeakPolarHBondContact O-CB 3.44Å; H70-A74 PolarHBondContact O-N 2.02Å |
| 71 | N | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 64.5 Ų | 64.5 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | -179.6 | -75.4 | -58 | 0 | 0 | 0 | 112 | Y67 C68 G73 A74 V75 | Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.1Å; Y67-N71 VanDerWaalsContact O-CB 3.24Å; Y67-N71 WeakPolarHBondContact O-CB 3.49Å; Y67-N71 PolarHBondContact O-N 3.06Å; Y67-N71 PolarHBondContact O-ND2 3.38Å; C68-N71 PolarHBondContact O-N 3.35Å; N71-G73 PolarHBondContact O-N 2.96Å; N71-A74 PolarHBondContact O-N 2.95Å; N71-V75 VanDerWaalsContact O-CG2 3.26Å; N71-V75 WeakPolarHBondContact O-CG2 3.27Å; N71-V75 PolarHBondContact O-N 3.05Å |
| 72 | Y | 97.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.5 | -54 | 174.5 | -175.5 | -78.5 | 0 | 0 | 0 | 110.2 | F6 T10 C68 R69 A74 V75 E76 V80 | F6-Y72 HydrophobicContact CB-CE2 4.34Å; F6-Y72 AromaticContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CD2 3.49Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CE2 4.06Å; F6-Y72 HydrophobicContact CD1-CG 4.14Å; F6-Y72 AromaticContact CD2-CD2 3.97Å; F6-Y72 HydrophobicContact CD2-CD2 3.97Å; F6-Y72 HydrophobicContact CD2-CE2 4.46Å; F6-Y72 AromaticContact CE1-CD2 3.53Å; F6-Y72 HydrophobicContact CE1-CD2 3.53Å; F6-Y72 AromaticContact CE1-CG 3.86Å; F6-Y72 HydrophobicContact CE1-CG 3.86Å; F6-Y72 AromaticContact CE2-CD2 3.99Å; F6-Y72 HydrophobicContact CE2-CD2 3.99Å; F6-Y72 AromaticContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CE2 4.03Å; F6-Y72 AromaticContact CZ-CD2 3.78Å; F6-Y72 HydrophobicContact CZ-CD2 3.78Å; F6-Y72 HydrophobicContact CZ-CG 4.22Å; T10-Y72 HydrophobicContact CG2-CD1 3.31Å; T10-Y72 HydrophobicContact CG2-CD2 4.21Å; T10-Y72 HydrophobicContact CG2-CE1 3.65Å; T10-Y72 HydrophobicContact CG2-CE2 4.48Å; T10-Y72 HydrophobicContact CG2-CG 3.63Å; C68-Y72 VanDerWaalsContact O-CB 3.31Å; C68-Y72 WeakPolarHBondContact O-CB 3.39Å; C68-Y72 PolarHBondContact O-N 2.83Å; R69-Y72 PolarHBondContact O-N 2.8Å; Y72-A74 VanDerWaalsContact C-N 3.3Å; Y72-A74 PolarHBondContact O-N 2.75Å; Y72-V75 PolarHBondContact O-N 2.79Å; Y72-E76 HydrophobicContact CD1-CB 4.33Å; Y72-E76 HydrophobicContact CD1-CG 4.37Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 HydrophobicContact CE1-CG 3.73Å; Y72-E76 VanDerWaalsContact CE1-OE1 3.3Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.21Å; Y72-E76 WeakPolarHBondContact O-CA 3.37Å; Y72-E76 VanDerWaalsContact O-CB 3.24Å; Y72-E76 WeakPolarHBondContact O-CB 3.32Å; Y72-E76 PolarHBondContact O-N 2.82Å; Y72-E76 PolarHBondContact OH-OE1 2.87Å; Y72-V80 HydrophobicContact CE2-CG2 3.8Å |
| 73 | G | 97.1 | Very high | 97.3 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R69 H70 N71 | R69-G73 PolarHBondContact O-N 2.85Å; H70-G73 PolarHBondContact O-N 3.05Å; N71-G73 PolarHBondContact O-N 2.96Å |
| 74 | A | 97.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.7 | -32 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H70 N71 Y72 | H70-A74 WeakPolarHBondContact O-CB 3.44Å; H70-A74 PolarHBondContact O-N 2.02Å; N71-A74 PolarHBondContact O-N 2.95Å; Y72-A74 VanDerWaalsContact C-N 3.3Å; Y72-A74 PolarHBondContact O-N 2.75Å |
| 75 | V | 96.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 29% | 0.291 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -116 | -2.8 | -171.9 | -49.2 | 0 | 0 | 0 | 0 | 114.8 | N71 Y72 S77 F78 T79 | N71-V75 VanDerWaalsContact O-CG2 3.26Å; N71-V75 WeakPolarHBondContact O-CG2 3.27Å; N71-V75 PolarHBondContact O-N 3.05Å; Y72-V75 PolarHBondContact O-N 2.79Å; V75-S77 VanDerWaalsContact C-N 3.26Å; V75-S77 PolarHBondContact O-N 3.1Å; V75-F78 VanDerWaalsContact CA-CE1 3.49Å; V75-F78 HydrophobicContact CB-CE1 3.78Å; V75-F78 HydrophobicContact CB-CE2 3.81Å; V75-F78 HydrophobicContact CB-CZ 3.35Å; V75-F78 HydrophobicContact CG1-CE1 4.04Å; V75-F78 HydrophobicContact CG1-CE2 4.2Å; V75-F78 HydrophobicContact CG1-CZ 3.45Å; V75-F78 VanDerWaalsContact CG1-CZ 3.45Å; V75-F78 PolarHBondContact O-N 3.05Å; V75-T79 HydrophobicContact CB-CG2 4.24Å; V75-T79 HydrophobicContact CG2-CG2 4.05Å; V75-T79 WeakPolarHBondContact O-CB 3.41Å; V75-T79 PolarHBondContact O-N 2.72Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 2.9Å |
| 76 | E | 96.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54 | -42.8 | -174.2 | -170.4 | 179.7 | -161.1 | 0 | 0 | 112.5 | Y72 F78 T79 V80 Q81 | Y72-E76 HydrophobicContact CD1-CB 4.33Å; Y72-E76 HydrophobicContact CD1-CG 4.37Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 HydrophobicContact CE1-CG 3.73Å; Y72-E76 VanDerWaalsContact CE1-OE1 3.3Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.21Å; Y72-E76 WeakPolarHBondContact O-CA 3.37Å; Y72-E76 VanDerWaalsContact O-CB 3.24Å; Y72-E76 WeakPolarHBondContact O-CB 3.32Å; Y72-E76 PolarHBondContact O-N 2.82Å; Y72-E76 PolarHBondContact OH-OE1 2.87Å; E76-F78 VanDerWaalsContact C-N 3.27Å; E76-F78 PolarHBondContact O-N 3.17Å; E76-T79 PolarHBondContact O-N 3.26Å; E76-V80 HydrophobicContact CG-CB 3.8Å; E76-V80 HydrophobicContact CG-CG1 4.4Å; E76-V80 HydrophobicContact CG-CG2 4.13Å; E76-V80 PolarHBondContact O-N 3.13Å; E76-Q81 HydrophobicContact CG-CG 4.21Å; E76-Q81 PolarHBondContact O-N 3.44Å |
| 77 | S | 95.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 73.2 Ų | 73.2 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -34.4 | -175.1 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | V75 | V75-S77 VanDerWaalsContact C-N 3.26Å; V75-S77 PolarHBondContact O-N 3.1Å |
| 78 | F | 94.3 | Very high | 97.3 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -109.6 | 1.5 | -178.4 | 62.9 | -96.5 | 0 | 0 | 0 | 114.3 | V75 E76 R82 | V75-F78 VanDerWaalsContact CA-CE1 3.49Å; V75-F78 HydrophobicContact CB-CE1 3.78Å; V75-F78 HydrophobicContact CB-CE2 3.81Å; V75-F78 HydrophobicContact CB-CZ 3.35Å; V75-F78 HydrophobicContact CG1-CE1 4.04Å; V75-F78 HydrophobicContact CG1-CE2 4.2Å; V75-F78 HydrophobicContact CG1-CZ 3.45Å; V75-F78 VanDerWaalsContact CG1-CZ 3.45Å; V75-F78 PolarHBondContact O-N 3.05Å; E76-F78 VanDerWaalsContact C-N 3.27Å; E76-F78 PolarHBondContact O-N 3.17Å; F78-R82 WeakPolarHBondContact O-CB 3.16Å; F78-R82 WeakPolarHBondContact O-CD 3.2Å |
| 79 | T | 96.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 71.7 Ų | 71.7 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -117 | -63.5 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | V75 E76 Y112 W142 | V75-T79 HydrophobicContact CB-CG2 4.24Å; V75-T79 HydrophobicContact CG2-CG2 4.05Å; V75-T79 WeakPolarHBondContact O-CB 3.41Å; V75-T79 PolarHBondContact O-N 2.72Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 2.9Å; E76-T79 PolarHBondContact O-N 3.26Å; T79-Y112 WeakPolarHBondContact O-CE1 3.16Å; T79-Y112 PolarHBondContact O-OH 2.65Å; T79-W142 HydrophobicContact CG2-CH2 4.15Å; T79-W142 HydrophobicContact CG2-CZ3 4.06Å |
| 80 | V | 96 | Very high | 97.2 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -43.9 | -175.8 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | Y72 E76 R82 R83 | Y72-V80 HydrophobicContact CE2-CG2 3.8Å; E76-V80 HydrophobicContact CG-CB 3.8Å; E76-V80 HydrophobicContact CG-CG1 4.4Å; E76-V80 HydrophobicContact CG-CG2 4.13Å; E76-V80 PolarHBondContact O-N 3.13Å; V80-R82 VanDerWaalsContact C-N 3.31Å; V80-R83 PolarHBondContact O-NH1 2.88Å |
| 81 | Q | 96 | Very high | 96.8 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.9 | -10.3 | -178.6 | -65.5 | 175.6 | 9.3 | 0 | 0 | 112.6 | E76 R83 | E76-Q81 HydrophobicContact CG-CG 4.21Å; E76-Q81 PolarHBondContact O-N 3.44Å; Q81-R83 PolarHBondContact O-N 2.81Å |
| 82 | R | 97.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | trans | -56.8 | 131.1 | 178.2 | 179 | -178.1 | 177.6 | 85.9 | -0.4 | 110.6 | F78 V80 V84 Y112 | F78-R82 WeakPolarHBondContact O-CB 3.16Å; F78-R82 WeakPolarHBondContact O-CD 3.2Å; V80-R82 VanDerWaalsContact C-N 3.31Å; R82-V84 HydrophobicContact CG-CG2 4.37Å; R82-Y112 HydrophobicContact CB-CD1 3.9Å; R82-Y112 HydrophobicContact CB-CE1 3.76Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.42Å; R82-Y112 VanDerWaalsContact O-CD1 3.31Å; R82-Y112 WeakPolarHBondContact O-CD1 3.42Å | ||
| 83 | R | 98 | Very high | 95.8 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | trans | -132.3 | 131.5 | 174.3 | -64.5 | -60.8 | 176.3 | -93.9 | -1.9 | 108.9 | V80 Q81 Y112 | V80-R83 PolarHBondContact O-NH1 2.88Å; Q81-R83 PolarHBondContact O-N 2.81Å; R83-Y112 CarbonylContact C-O 3.5Å; R83-Y112 WeakPolarHBondContact CA-O 3.39Å | ||
| 84 | V | 98.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 124.5 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | R82 G110 F111 Y112 H166 | R82-V84 HydrophobicContact CG-CG2 4.37Å; V84-G110 WeakPolarHBondContact CG1-O 3.41Å; V84-F111 WeakPolarHBondContact O-CA 3.36Å; V84-Y112 PolarHBondContact N-O 2.61Å; V84-Y112 PolarHBondContact O-N 3.05Å; V84-Y112 VanDerWaalsContact O-N 3.16Å; V84-H166 PolarHBondContact O-CE1 2.79Å |
| 85 | E | 98.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 75.7 Ų | 75.7 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 138.5 | -177.6 | -62.7 | -177.7 | -171.5 | 0 | 0 | 112.4 | S168 V169 | E85-S168 VanDerWaalsContact CA-OG 3.25Å; E85-S168 WeakPolarHBondContact CA-OG 3.43Å; E85-S168 WeakPolarHBondContact CG-OG 3.39Å; E85-V169 HydrophobicContact CB-CG1 4.35Å; E85-V169 HydrophobicContact CG-CG1 3.78Å |
| 86 | P | 98.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 83.2 Ų | 83.2 | 7% | 0.071 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -72 | 140.8 | 175.3 | 26.1 | -30.6 | 0 | 0 | 0 | 111.7 | V88 V108 F111 V164 H166 L173 | P86-V88 HydrophobicContact CB-CG2 4.46Å; P86-V108 HydrophobicContact CB-CG1 3.47Å; P86-V108 VanDerWaalsContact CB-CG1 3.47Å; P86-V108 HydrophobicContact CG-CG1 4.33Å; P86-F111 HydrophobicContact CB-CB 3.72Å; P86-F111 HydrophobicContact CB-CD1 4.01Å; P86-F111 HydrophobicContact CB-CG 4.13Å; P86-F111 HydrophobicContact CG-CB 4.36Å; P86-V164 HydrophobicContact CG-CG1 4.07Å; P86-H166 HydrophobicContact CG-CB 4.23Å; P86-L173 HydrophobicContact CG-CD1 3.64Å |
| 87 | K | 98.3 | Very high | 88.4 | Confident | 154 Ų | 154 | 86.3 Ų | 86.3 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.8 | 161.9 | -174 | 175.9 | 179.8 | 178.9 | 0 | 109.2 | V108 N109 | K87-V108 WeakPolarHBondContact O-CA 3.22Å; K87-N109 PolarHBondContact N-O 2.98Å; K87-N109 PolarHBondContact O-N 2.87Å |
| 88 | V | 98.6 | Very high | 86.2 | Confident | 24 Ų | 24 | 87.3 Ų | 87.3 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.1 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | P86 S107 V108 V164 L173 V175 | P86-V88 HydrophobicContact CB-CG2 4.46Å; V88-S107 WeakPolarHBondContact CA-O 3.31Å; V88-V108 HydrophobicContact CG1-CG2 4.43Å; V88-V108 HydrophobicContact CG2-CG1 4.35Å; V88-V164 HydrophobicContact CG1-CG2 4.06Å; V88-V164 HydrophobicContact CG2-CB 4.18Å; V88-V164 HydrophobicContact CG2-CG2 3.73Å; V88-L173 HydrophobicContact CG2-CB 4.35Å; V88-L173 HydrophobicContact CG2-CD1 4.11Å; V88-V175 HydrophobicContact CB-CG2 3.79Å; V88-V175 HydrophobicContact CG1-CB 4.15Å; V88-V175 HydrophobicContact CG1-CG2 3.59Å |
| 89 | T | 97.5 | Very high | 83.9 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.8 | 176.4 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | S107 | T89-S107 PolarHBondContact N-O 2.82Å; T89-S107 PolarHBondContact O-N 3.02Å; T89-S107 WeakPolarHBondContact OG1-CB 3.37Å; T89-S107 PolarHBondContact OG1-O 2.87Å |
| 90 | V | 96.1 | Very high | 81.8 | Confident | 22 Ų | 22 | 96.7 Ų | 96.7 | 13% | 0.133 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.3 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | V105 C106 W120 C162 V175 W177 | V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.47Å; V90-C106 HydrophobicContact CG2-CB 4.32Å; V90-W120 HydrophobicContact CG1-CH2 3.66Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.22Å; V90-C162 HydrophobicContact CG2-CB 3.62Å; V90-V175 HydrophobicContact CB-CG1 3.99Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.69Å; V90-W177 HydrophobicContact CB-CB 4.3Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 3.98Å |
| 91 | Y | 91.2 | Very high | 79.8 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152 | 178.4 | 58.3 | -89.5 | 0 | 0 | 0 | 111.9 | V105 | Y91-V105 HydrophobicContact CD2-CB 4.26Å; Y91-V105 HydrophobicContact CE1-CB 4.32Å; Y91-V105 HydrophobicContact CE1-CG1 4.22Å; Y91-V105 HydrophobicContact CE2-CB 3.86Å; Y91-V105 HydrophobicContact CE2-CG1 4.2Å; Y91-V105 HydrophobicContact CE2-CG2 4.13Å; Y91-V105 PolarHBondContact N-O 3.3Å; Y91-V105 PolarHBondContact O-N 2.98Å |
| 92 | P | 89.7 | Confident | 78.7 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 139.1 | 171.4 | 31.9 | -32.7 | 0 | 0 | 0 | 110.5 | L103 L104 W177 | P92-L103 CarbonylContact C-O 3.55Å; P92-L103 WeakPolarHBondContact CA-O 3.38Å; P92-L104 HydrophobicContact CB-CD2 4.15Å; P92-W177 HydrophobicContact CB-CZ2 4.38Å; P92-W177 HydrophobicContact CG-CZ2 4.3Å |
| 93 | A | 83.7 | Confident | 78.2 | Confident | 29 Ų | 29 | 92.7 Ų | 92.7 | 24% | 0.24 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L103 V105 | A93-L103 HydrophobicContact CB-CB 4.39Å; A93-L103 PolarHBondContact N-O 3.13Å; A93-L103 WeakPolarHBondContact O-CB 3.3Å; A93-L103 PolarHBondContact O-N 2.92Å; A93-L103 VanDerWaalsContact O-N 3.17Å; A93-V105 HydrophobicContact CB-CG2 3.67Å |
| 94 | R | 70.3 | Confident | 77.9 | Confident | 201 Ų | 201 | 87.2 Ų | 87.2 | 76% | 0.758 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.8 | 173.1 | -65 | -176.2 | -176.1 | -179.1 | -1 | 108.5 | E182 | R94-E182 IonicContact NH2-OE1 3.15Å; R94-E182 PolarHBondContact NH2-OE1 2.87Å; R94-E182 VanDerWaalsContact NH2-OE1 3.15Å |
| 95 | T | 57 | Low | 77.8 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | trans | -82.8 | 128.2 | 168.6 | 52.9 | 0 | 0 | 0 | 0 | 108.2 | T97 L103 | T95-T97 PolarHBondContact O-N 3.2Å; T95-L103 HydrophobicContact CG2-CD2 4.34Å | ||
| 96 | Q | 54.2 | Low | 77.7 | Confident | 206 Ų | 206 | 79.4 Ų | 79.4 | 96% | 0.963 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -9.6 | -173.5 | -80.9 | 176.1 | 0.3 | 0 | 0 | 114.4 | ||
| 97 | T | 51.3 | Low | 77.7 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 76% | 0.761 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -11.3 | -167.3 | 45.1 | 0 | 0 | 0 | 0 | 115.8 | T95 | T95-T97 PolarHBondContact O-N 3.2Š|
| 98 | L | 48.6 | Very low | 77.7 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | trans | -128.1 | 101.7 | -177.7 | -80.6 | 158.5 | 0 | 0 | 0 | 110.8 | H100 | L98-H100 PolarHBondContact O-N 2.86Š| ||
| 99 | Q | 47.6 | Very low | 77.7 | Confident | 185 Ų | 185 | 73.5 Ų | 73.5 | 86% | 0.864 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 5.4 | -170.9 | -76.5 | 177.9 | -34.8 | 0 | 0 | 116.8 | ||
| 100 | H | 51.8 | Low | 77.8 | Confident | 148 Ų | 148 | 72.1 Ų | 72.1 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146 | -0.9 | -176.5 | -62.1 | 90.6 | 0 | 0 | 0 | 116.3 | L98 V153 | L98-H100 PolarHBondContact O-N 2.86Å; H100-V153 WeakPolarHBondContact O-CG2 3.41Å |
| 101 | H | 53.4 | Low | 77.9 | Confident | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | trans | -104.1 | 118.3 | 179.1 | -64.5 | -73.2 | 0 | 0 | 0 | 110.2 | E151 | H101-E151 HydrophobicContact CB-CG 4.05Å; H101-E151 IonicContact CD2-OE1 3.54Å; H101-E151 IonicContact CE1-OE1 3.83Å; H101-E151 IonicContact CG-OE1 3.27Å; H101-E151 VanDerWaalsContact CG-OE1 3.27Å; H101-E151 IonicContact ND1-OE1 3.47Å; H101-E151 PolarHBondContact ND1-OE1 2.93Å; H101-E151 IonicContact NE2-OE1 3.94Å | ||
| 102 | N | 71.9 | Confident | 78.2 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.1 | 172 | -76.8 | -40.4 | 0 | 0 | 0 | 107.7 | T152 P154 | N102-T152 CarbonylContact C-O 3.44Å; N102-T152 WeakPolarHBondContact CA-O 3.37Å; N102-T152 PolarHBondContact N-O 3.36Å; N102-T152 CarbonylContact O-C 3.58Å; N102-T152 PolarHBondContact O-N 2.64Å; N102-P154 HydrophobicContact CB-CG 4.33Å |
| 103 | L | 86.8 | Confident | 78.6 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.2 | 176.1 | -163.1 | 70.7 | 0 | 0 | 0 | 108.3 | P92 A93 T95 V105 M149 E151 | P92-L103 CarbonylContact C-O 3.55Å; P92-L103 WeakPolarHBondContact CA-O 3.38Å; A93-L103 HydrophobicContact CB-CB 4.39Å; A93-L103 PolarHBondContact N-O 3.13Å; A93-L103 WeakPolarHBondContact O-CB 3.3Å; A93-L103 PolarHBondContact O-N 2.92Å; A93-L103 VanDerWaalsContact O-N 3.17Å; T95-L103 HydrophobicContact CG2-CD2 4.34Å; L103-V105 HydrophobicContact CD2-CG2 4.04Å; L103-V105 HydrophobicContact CG-CG2 4.22Å; L103-M149 HydrophobicContact CD1-CB 3.89Å; L103-M149 HydrophobicContact CD2-CB 4.09Å; L103-M149 HydrophobicContact CD2-CG 4.05Å; L103-M149 HydrophobicContact CD2-SD 3.87Å; L103-M149 HydrophobicContact CG-CB 4.02Å; L103-M149 HydrophobicContact CG-CG 4.45Å; L103-E151 HydrophobicContact CD1-CB 4.43Å |
| 104 | L | 92.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.5 | 164.8 | -72.8 | 177.5 | 0 | 0 | 0 | 108.7 | P92 W120 M149 L150 T152 P154 Y160 W177 | P92-L104 HydrophobicContact CB-CD2 4.15Å; L104-W120 HydrophobicContact CB-CH2 3.86Å; L104-W120 HydrophobicContact CB-CZ2 4.11Å; L104-M149 CarbonylContact O-C 3.55Å; L104-M149 VanDerWaalsContact O-CA 3.29Å; L104-M149 WeakPolarHBondContact O-CA 3.5Å; L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 2.85Å; L104-L150 PolarHBondContact O-N 3.33Å; L104-T152 HydrophobicContact CD1-CG2 4.01Å; L104-T152 HydrophobicContact CG-CG2 4.24Å; L104-P154 HydrophobicContact CD1-CG 4.44Å; L104-Y160 HydrophobicContact CD1-CD1 3.69Å; L104-Y160 HydrophobicContact CD1-CD2 3.77Å; L104-Y160 HydrophobicContact CD1-CE1 4.1Å; L104-Y160 HydrophobicContact CD1-CE2 4.2Å; L104-Y160 HydrophobicContact CD1-CG 3.47Å; L104-Y160 VanDerWaalsContact CD1-CG 3.47Å; L104-W177 HydrophobicContact CD1-CD2 4.42Å; L104-W177 HydrophobicContact CD1-CE3 3.71Å; L104-W177 HydrophobicContact CD1-CZ3 3.91Å; L104-W177 HydrophobicContact CD2-CD2 3.66Å; L104-W177 HydrophobicContact CD2-CE3 3.67Å; L104-W177 HydrophobicContact CD2-CG 4.3Å; L104-W177 HydrophobicContact CD2-CH2 3.97Å; L104-W177 HydrophobicContact CD2-CZ2 3.97Å; L104-W177 HydrophobicContact CD2-CZ3 3.82Å; L104-W177 HydrophobicContact CG-CE3 4.36Å; L104-W177 HydrophobicContact CG-CZ3 4.43Å |
| 105 | V | 95.5 | Very high | 80.6 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | V90 Y91 A93 L103 L147 M149 | V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.47Å; Y91-V105 HydrophobicContact CD2-CB 4.26Å; Y91-V105 HydrophobicContact CE1-CB 4.32Å; Y91-V105 HydrophobicContact CE1-CG1 4.22Å; Y91-V105 HydrophobicContact CE2-CB 3.86Å; Y91-V105 HydrophobicContact CE2-CG1 4.2Å; Y91-V105 HydrophobicContact CE2-CG2 4.13Å; Y91-V105 PolarHBondContact N-O 3.3Å; Y91-V105 PolarHBondContact O-N 2.98Å; A93-V105 HydrophobicContact CB-CG2 3.67Å; L103-V105 HydrophobicContact CD2-CG2 4.04Å; L103-V105 HydrophobicContact CG-CG2 4.22Å; V105-L147 HydrophobicContact CG1-CD2 4Å; V105-M149 HydrophobicContact CG1-CG 4.31Å; V105-M149 HydrophobicContact CG2-CG 4.23Å |
| 106 | C | 97.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 106.2 | 164.1 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | V90 W120 V148 C162 | V90-C106 HydrophobicContact CG2-CB 4.32Å; C106-W120 HydrophobicContact CB-CH2 4.15Å; C106-W120 HydrophobicContact CB-CZ2 3.53Å; C106-V148 WeakPolarHBondContact CB-O 3.26Å; C106-V148 PolarHBondContact N-O 2.86Å; C106-V148 PolarHBondContact O-N 2.73Å; C106-C162 HydrophobicContact CB-CB 3.61Å; C106-C162 WeakPolarHBondContact CB-SG 3.05Å; C106-C162 WeakPolarHBondContact SG-CB 3.39Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 2.7Å |
| 107 | S | 98.2 | Very high | 84.7 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.7 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | V88 T89 | V88-S107 WeakPolarHBondContact CA-O 3.31Å; T89-S107 PolarHBondContact N-O 2.82Å; T89-S107 PolarHBondContact O-N 3.02Å; T89-S107 WeakPolarHBondContact OG1-CB 3.37Å; T89-S107 PolarHBondContact OG1-O 2.87Å |
| 108 | V | 98.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.7 | -179.9 | -171.2 | 0 | 0 | 0 | 0 | 107.6 | P86 K87 V88 F111 I116 V118 Q145 I146 V164 | P86-V108 HydrophobicContact CB-CG1 3.47Å; P86-V108 VanDerWaalsContact CB-CG1 3.47Å; P86-V108 HydrophobicContact CG-CG1 4.33Å; K87-V108 WeakPolarHBondContact O-CA 3.22Å; V88-V108 HydrophobicContact CG1-CG2 4.43Å; V88-V108 HydrophobicContact CG2-CG1 4.35Å; V108-F111 HydrophobicContact CB-CE1 4.42Å; V108-F111 HydrophobicContact CG1-CD1 3.97Å; V108-F111 HydrophobicContact CG1-CE1 3.95Å; V108-I116 HydrophobicContact CG1-CD1 3.58Å; V108-V118 HydrophobicContact CG2-CG1 4.26Å; V108-V118 HydrophobicContact CG2-CG2 4.06Å; V108-Q145 WeakPolarHBondContact O-CA 3.37Å; V108-I146 HydrophobicContact CB-CG2 3.78Å; V108-I146 HydrophobicContact CG1-CG2 4.37Å; V108-I146 HydrophobicContact CG2-CG2 4.37Å; V108-I146 PolarHBondContact N-O 2.74Å; V108-I146 PolarHBondContact O-N 3.07Å; V108-V164 HydrophobicContact CG1-CG1 4.03Å; V108-V164 HydrophobicContact CG1-CG2 4.34Å; V108-V164 HydrophobicContact CG2-CG2 3.74Å |
| 109 | N | 98.1 | Very high | 89.3 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.2 | -164.2 | -139.7 | -34.1 | 0 | 0 | 0 | 112.7 | K87 Q145 | K87-N109 PolarHBondContact N-O 2.98Å; K87-N109 PolarHBondContact O-N 2.87Å; N109-Q145 HydrophobicContact CB-CB 4.39Å; N109-Q145 PolarHBondContact ND2-OE1 2.99Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.41Å |
| 110 | G | 98.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | 22.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V84 F144 | V84-G110 WeakPolarHBondContact CG1-O 3.41Å; G110-F144 PolarHBondContact N-O 2.98Å |
| 111 | F | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 161.2 | -175 | 61.7 | -87.1 | 0 | 0 | 0 | 113.8 | V84 P86 V108 P113 I116 L136 T143 F144 I146 H166 | V84-F111 WeakPolarHBondContact O-CA 3.36Å; P86-F111 HydrophobicContact CB-CB 3.72Å; P86-F111 HydrophobicContact CB-CD1 4.01Å; P86-F111 HydrophobicContact CB-CG 4.13Å; P86-F111 HydrophobicContact CG-CB 4.36Å; V108-F111 HydrophobicContact CB-CE1 4.42Å; V108-F111 HydrophobicContact CG1-CD1 3.97Å; V108-F111 HydrophobicContact CG1-CE1 3.95Å; F111-P113 WeakPolarHBondContact CD2-O 3.46Å; F111-I116 HydrophobicContact CD1-CD1 4.01Å; F111-I116 HydrophobicContact CD2-CD1 3.84Å; F111-I116 HydrophobicContact CE1-CD1 3.81Å; F111-I116 HydrophobicContact CE2-CB 3.9Å; F111-I116 HydrophobicContact CE2-CD1 3.63Å; F111-I116 HydrophobicContact CE2-CG1 4.38Å; F111-I116 HydrophobicContact CE2-CG2 3.85Å; F111-I116 HydrophobicContact CG-CD1 4.03Å; F111-I116 HydrophobicContact CZ-CB 4.31Å; F111-I116 HydrophobicContact CZ-CD1 3.62Å; F111-I116 HydrophobicContact CZ-CG2 3.87Å; F111-L136 HydrophobicContact CE2-CD1 3.87Å; F111-L136 HydrophobicContact CZ-CD1 3.71Å; F111-T143 CarbonylContact O-C 3.57Å; F111-T143 WeakPolarHBondContact O-CA 3.38Å; F111-F144 WeakPolarHBondContact CD1-O 3.26Å; F111-F144 HydrophobicContact CD2-CB 4.11Å; F111-F144 HydrophobicContact CE1-CB 4.26Å; F111-F144 WeakPolarHBondContact CE1-O 3.29Å; F111-F144 HydrophobicContact CE2-CB 3.69Å; F111-F144 HydrophobicContact CZ-CB 3.77Å; F111-F144 PolarHBondContact N-O 3.02Å; F111-F144 PolarHBondContact O-N 3.05Å; F111-I146 HydrophobicContact CE1-CG2 3.97Å; F111-I146 HydrophobicContact CZ-CG2 3.94Å; F111-H166 AromaticContact CD2-CD2 3.86Å; F111-H166 AromaticContact CD2-NE2 3.7Å |
| 112 | Y | 98.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -156 | 138.2 | 172.7 | -175.6 | -79.6 | 0 | 0 | 0 | 110 | T79 R82 R83 V84 W142 F144 H166 | T79-Y112 WeakPolarHBondContact O-CE1 3.16Å; T79-Y112 PolarHBondContact O-OH 2.65Å; R82-Y112 HydrophobicContact CB-CD1 3.9Å; R82-Y112 HydrophobicContact CB-CE1 3.76Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.42Å; R82-Y112 VanDerWaalsContact O-CD1 3.31Å; R82-Y112 WeakPolarHBondContact O-CD1 3.42Å; R83-Y112 CarbonylContact C-O 3.5Å; R83-Y112 WeakPolarHBondContact CA-O 3.39Å; V84-Y112 PolarHBondContact N-O 2.61Å; V84-Y112 PolarHBondContact O-N 3.05Å; V84-Y112 VanDerWaalsContact O-N 3.16Å; Y112-W142 WeakPolarHBondContact CD2-O 3.25Å; Y112-W142 HydrophobicContact CE2-CE3 4.34Å; Y112-F144 HydrophobicContact CD2-CD2 4.1Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; Y112-H166 PolarHBondContact O-CE1 2.95Å |
| 113 | P | 98.2 | Very high | 97 | Very high | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | S | Bend | cis | -76.2 | -179.8 | 4 | 33.9 | -38.8 | 0 | 0 | 0 | 113.1 | F111 S115 H166 P167 | F111-P113 WeakPolarHBondContact CD2-O 3.46Å; P113-S115 PolarHBondContact O-N 2.76Å; P113-H166 PolarHBondContact O-NE2 2.75Å; P113-P167 HydrophobicContact CG-CG 4.47Å |
| 114 | G | 97.7 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -71.1 | -13.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I116 L136 F144 | G114-I116 PolarHBondContact O-N 3.28Å; G114-L136 WeakPolarHBondContact O-CD1 3.43Å; G114-F144 VanDerWaalsContact N-CE2 3.29Å |
| 115 | S | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 60% | 0.601 | 24% | 0.241 | S | C | * | . | trans | -71 | 115 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | P113 H166 P167 | P113-S115 PolarHBondContact O-N 2.76Å; S115-H166 PolarHBondContact O-CD2 2.77Å; S115-H166 VanDerWaalsContact O-CD2 3.3Å; S115-P167 VanDerWaalsContact O-CD 3.31Å; S115-P167 WeakPolarHBondContact O-CD 3.34Å | ||
| 116 | I | 98.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 18% | 0.179 | 26% | 0.259 | C | S | . | . | trans | -150.6 | 147.5 | -175.6 | -163.6 | 164.1 | 0 | 0 | 0 | 110.4 | V108 F111 G114 V118 I146 V164 E165 H166 | V108-I116 HydrophobicContact CG1-CD1 3.58Å; F111-I116 HydrophobicContact CD1-CD1 4.01Å; F111-I116 HydrophobicContact CD2-CD1 3.84Å; F111-I116 HydrophobicContact CE1-CD1 3.81Å; F111-I116 HydrophobicContact CE2-CB 3.9Å; F111-I116 HydrophobicContact CE2-CD1 3.63Å; F111-I116 HydrophobicContact CE2-CG1 4.38Å; F111-I116 HydrophobicContact CE2-CG2 3.85Å; F111-I116 HydrophobicContact CG-CD1 4.03Å; F111-I116 HydrophobicContact CZ-CB 4.31Å; F111-I116 HydrophobicContact CZ-CD1 3.62Å; F111-I116 HydrophobicContact CZ-CG2 3.87Å; G114-I116 PolarHBondContact O-N 3.28Å; I116-V118 HydrophobicContact CD1-CG2 4.31Å; I116-V118 HydrophobicContact CG1-CG2 4.12Å; I116-I146 HydrophobicContact CG2-CG2 4.33Å; I116-V164 HydrophobicContact CD1-CG1 3.69Å; I116-V164 HydrophobicContact CG1-CG1 3.91Å; I116-E165 WeakPolarHBondContact CG1-O 3.45Å; I116-H166 HydrophobicContact CD1-CB 4.44Å; I116-H166 HydrophobicContact CG1-CB 4.25Å | ||
| 117 | E | 98.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 49 Ų | 49 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.7 | 169.8 | -174.7 | 177.3 | 161.4 | 0 | 0 | 109.2 | R119 V164 E165 | E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 VanDerWaalsContact OE1-CD 3.32Å; E117-R119 WeakPolarHBondContact OE1-CD 3.41Å; E117-R119 IonicContact OE1-CZ 3.44Å; E117-R119 IonicContact OE1-NE 3.13Å; E117-R119 IonicContact OE1-NH1 3.41Å; E117-R119 PolarHBondContact OE1-NH1 2.85Å; E117-V164 CarbonylContact O-C 3.46Å; E117-V164 WeakPolarHBondContact O-CA 3.36Å; E117-E165 HydrophobicContact CB-CB 4.25Å; E117-E165 PolarHBondContact N-O 3.24Å; E117-E165 PolarHBondContact O-N 3Å |
| 118 | V | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.5 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | V108 I116 I146 V148 Q163 V164 | V108-V118 HydrophobicContact CG2-CG1 4.26Å; V108-V118 HydrophobicContact CG2-CG2 4.06Å; I116-V118 HydrophobicContact CD1-CG2 4.31Å; I116-V118 HydrophobicContact CG1-CG2 4.12Å; V118-I146 HydrophobicContact CG2-CG2 4.2Å; V118-V148 HydrophobicContact CB-CB 4.48Å; V118-V148 HydrophobicContact CB-CG2 3.75Å; V118-V148 HydrophobicContact CG1-CB 3.82Å; V118-V148 HydrophobicContact CG1-CG1 4.33Å; V118-V148 HydrophobicContact CG1-CG2 3.59Å; V118-V148 HydrophobicContact CG2-CG2 4.36Å; V118-Q163 WeakPolarHBondContact CA-O 3.43Å; V118-V164 HydrophobicContact CG1-CG2 4.23Å; V118-V164 HydrophobicContact CG2-CG1 4.35Å; V118-V164 HydrophobicContact CG2-CG2 4.21Å |
| 119 | R | 98.5 | Very high | 97.3 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.7 | -176.4 | -67.3 | -176.7 | -62.5 | -140.7 | 8.4 | 111.2 | E117 F121 E126 Q163 E165 | E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 VanDerWaalsContact OE1-CD 3.32Å; E117-R119 WeakPolarHBondContact OE1-CD 3.41Å; E117-R119 IonicContact OE1-CZ 3.44Å; E117-R119 IonicContact OE1-NE 3.13Å; E117-R119 IonicContact OE1-NH1 3.41Å; E117-R119 PolarHBondContact OE1-NH1 2.85Å; R119-F121 HydrophobicContact CB-CD2 4.43Å; R119-F121 HydrophobicContact CB-CE2 3.73Å; R119-F121 HydrophobicContact CB-CZ 4.43Å; R119-E126 WeakPolarHBondContact CD-OE1 3.4Å; R119-Q163 PolarHBondContact N-O 3.29Å; R119-Q163 PolarHBondContact O-N 3.12Å; R119-E165 IonicContact CZ-OE1 3.59Å; R119-E165 IonicContact NH1-OE1 2.65Å; R119-E165 IonicContact NH2-OE1 3.42Å; R119-E165 PolarHBondContact NH2-OE1 3.47Å |
| 120 | W | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142.6 | 170.4 | -83.7 | 107.9 | 0 | 0 | 0 | 110.6 | V90 L104 C106 E126 E127 V131 V148 L150 T161 C162 | V90-W120 HydrophobicContact CG1-CH2 3.66Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.22Å; L104-W120 HydrophobicContact CB-CH2 3.86Å; L104-W120 HydrophobicContact CB-CZ2 4.11Å; C106-W120 HydrophobicContact CB-CH2 4.15Å; C106-W120 HydrophobicContact CB-CZ2 3.53Å; W120-E126 WeakPolarHBondContact O-CA 3.37Å; W120-E127 HydrophobicContact CB-CB 4.41Å; W120-E127 PolarHBondContact O-N 3.18Å; W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.42Å; W120-V148 PolarHBondContact NE1-O 2.85Å; W120-L150 HydrophobicContact CB-CD2 4.45Å; W120-L150 HydrophobicContact CD2-CB 4.09Å; W120-L150 HydrophobicContact CD2-CD2 4.22Å; W120-L150 HydrophobicContact CE3-CD2 4.32Å; W120-L150 HydrophobicContact CG-CB 4.11Å; W120-L150 HydrophobicContact CG-CD2 4.31Å; W120-L150 HydrophobicContact CZ2-CB 4.39Å; W120-T161 CarbonylContact C-O 3.58Å; W120-C162 HydrophobicContact CE3-CB 4.34Å; W120-C162 HydrophobicContact CH2-CB 4.3Å; W120-C162 HydrophobicContact CZ3-CB 4.16Å |
| 121 | F | 98 | Very high | 96.9 | Very high | 40 Ų | 40 | 59 Ų | 59 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.2 | 170.4 | -64.7 | -103.9 | 0 | 0 | 0 | 109.5 | R119 Q125 E126 Y160 T161 Q163 | R119-F121 HydrophobicContact CB-CD2 4.43Å; R119-F121 HydrophobicContact CB-CE2 3.73Å; R119-F121 HydrophobicContact CB-CZ 4.43Å; F121-Q125 CarbonylContact C-O 3.51Å; F121-Q125 WeakPolarHBondContact CA-O 3.2Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.37Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.39Å; F121-Y160 CarbonylContact O-C 3.5Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.3Å; F121-T161 PolarHBondContact N-O 2.84Å; F121-T161 PolarHBondContact O-N 2.88Å; F121-Q163 HydrophobicContact CD2-CB 4.11Å; F121-Q163 HydrophobicContact CE2-CB 3.74Å; F121-Q163 HydrophobicContact CE2-CG 4.47Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.22Å |
| 122 | R | 95.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 63 Ų | 63 | 26% | 0.26 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119 | 171.9 | -177.7 | -177.9 | -179.2 | -178.9 | 2.2 | 108.3 | G124 Q125 E127 E158 Y160 | R122-G124 PolarHBondContact O-N 3.3Å; R122-G124 VanDerWaalsContact O-N 3.13Å; R122-Q125 PolarHBondContact N-O 3.16Å; R122-Q125 PolarHBondContact O-N 2.87Å; R122-E127 HydrophobicContact CB-CB 4.46Å; R122-E158 IonicContact CZ-OE1 3.42Å; R122-E158 IonicContact NE-OE1 2.74Å; R122-E158 PolarHBondContact NE-OE1 2.83Å; R122-E158 IonicContact NE-OE2 3.73Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.49Å; R122-E158 PolarHBondContact NH2-OE2 3.29Å; R122-Y160 HydrophobicContact CB-CD1 4.32Å; R122-Y160 HydrophobicContact CB-CE1 4.33Å; R122-Y160 HydrophobicContact CG-CD1 4.29Å; R122-Y160 HydrophobicContact CG-CE1 3.94Å |
| 123 | N | 94.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 37.4 | -176.4 | -57 | -32.9 | 0 | 0 | 0 | 112.9 | Q125 V159 | N123-Q125 PolarHBondContact O-N 3.44Å; N123-V159 PolarHBondContact N-O 2.86Å; N123-V159 PolarHBondContact OD1-N 3.04Å; N123-V159 PolarHBondContact OD1-O 2.88Å |
| 124 | G | 94.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -4.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | R122 | R122-G124 PolarHBondContact O-N 3.3Å; R122-G124 VanDerWaalsContact O-N 3.13Å |
| 125 | Q | 97.2 | Very high | 96.5 | Very high | 155 Ų | 155 | 66.2 Ų | 66.2 | 72% | 0.724 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.3 | 174.2 | -65.4 | -171.9 | -22.6 | 0 | 0 | 110.7 | F121 R122 N123 E127 | F121-Q125 CarbonylContact C-O 3.51Å; F121-Q125 WeakPolarHBondContact CA-O 3.2Å; R122-Q125 PolarHBondContact N-O 3.16Å; R122-Q125 PolarHBondContact O-N 2.87Å; N123-Q125 PolarHBondContact O-N 3.44Å; Q125-E127 PolarHBondContact O-N 3.15Å |
| 126 | E | 97.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 127.4 | 178.3 | -168.5 | -173.2 | -176.4 | 0 | 0 | 110.1 | R119 W120 F121 K128 | R119-E126 WeakPolarHBondContact CD-OE1 3.4Å; W120-E126 WeakPolarHBondContact O-CA 3.37Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.37Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.39Å; E126-K128 HydrophobicContact CG-CG 4.49Å; E126-K128 WeakPolarHBondContact OE1-CE 3.15Å; E126-K128 IonicContact OE1-NZ 2.79Å; E126-K128 PolarHBondContact OE1-NZ 3.28Å; E126-K128 WeakPolarHBondContact OE2-CE 3.32Å; E126-K128 IonicContact OE2-NZ 3.68Å; E126-K128 PolarHBondContact OE2-NZ 2.73Å; E126-K128 VanDerWaalsContact OE2-NZ 3.13Å |
| 127 | E | 96.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124 | 178.5 | -177.2 | 60.3 | -90 | 0 | 0 | 109.3 | W120 R122 Q125 A129 V131 L150 | W120-E127 HydrophobicContact CB-CB 4.41Å; W120-E127 PolarHBondContact O-N 3.18Å; R122-E127 HydrophobicContact CB-CB 4.46Å; Q125-E127 PolarHBondContact O-N 3.15Å; E127-A129 WeakPolarHBondContact OE1-CB 3.22Å; E127-A129 PolarHBondContact OE1-N 3.44Å; E127-V131 WeakPolarHBondContact O-CG2 3.31Å; E127-L150 HydrophobicContact CG-CD1 3.66Å; E127-L150 HydrophobicContact CG-CD2 4.34Å |
| 128 | K | 96.3 | Very high | 96.4 | Very high | 145 Ų | 145 | 70.6 Ų | 70.6 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | trans | -117.4 | -24.6 | 178.9 | -63.5 | -175.9 | -177.3 | 176.6 | 0 | 111.8 | E126 V131 | E126-K128 HydrophobicContact CG-CG 4.49Å; E126-K128 WeakPolarHBondContact OE1-CE 3.15Å; E126-K128 IonicContact OE1-NZ 2.79Å; E126-K128 PolarHBondContact OE1-NZ 3.28Å; E126-K128 WeakPolarHBondContact OE2-CE 3.32Å; E126-K128 IonicContact OE2-NZ 3.68Å; E126-K128 PolarHBondContact OE2-NZ 2.73Å; E126-K128 VanDerWaalsContact OE2-NZ 3.13Å; K128-V131 PolarHBondContact O-N 3.4Å | ||
| 129 | A | 94 | Very high | 96.4 | Very high | 71 Ų | 71 | 71.9 Ų | 71.9 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 133.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E127 V131 L150 | E127-A129 WeakPolarHBondContact OE1-CB 3.22Å; E127-A129 PolarHBondContact OE1-N 3.44Å; A129-V131 PolarHBondContact O-N 2.66Å; A129-L150 WeakPolarHBondContact O-CD1 3.13Å |
| 130 | G | 91.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 72.9 Ų | 72.9 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 10.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E151 | G130-E151 PolarHBondContact O-N 2.69Š|
| 131 | V | 96.2 | Very high | 96.2 | Very high | 49 Ų | 49 | 77.4 Ų | 77.4 | 30% | 0.297 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.5 | 174 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | W120 E127 K128 A129 V148 M149 L150 | W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.42Å; E127-V131 WeakPolarHBondContact O-CG2 3.31Å; K128-V131 PolarHBondContact O-N 3.4Å; A129-V131 PolarHBondContact O-N 2.66Å; V131-V148 HydrophobicContact CG1-CG1 3.56Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.45Å; V131-L150 HydrophobicContact CG2-CD1 3.79Å |
| 132 | V | 95.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 82.7 Ų | 82.7 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.1 | 178.7 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | M149 | V132-M149 HydrophobicContact CB-CE 4.25Å; V132-M149 HydrophobicContact CG1-CE 4.01Å; V132-M149 PolarHBondContact N-O 2.79Å; V132-M149 PolarHBondContact O-N 3.34Å |
| 133 | S | 96.5 | Very high | 96.3 | Very high | 58 Ų | 58 | 80.3 Ų | 80.3 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.2 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | G135 I146 L147 | S133-G135 PolarHBondContact O-N 2.8Å; S133-G135 PolarHBondContact OG-N 3.14Å; S133-I146 WeakPolarHBondContact OG-CD1 3.35Å; S133-L147 WeakPolarHBondContact CA-O 3.2Å |
| 134 | T | 96 | Very high | 96.5 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | trans | -70.7 | -12.4 | 167.9 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | L147 M149 | T134-L147 HydrophobicContact CG2-CB 3.75Å; T134-L147 HydrophobicContact CG2-CD1 4.1Å; T134-L147 HydrophobicContact CG2-CG 4.32Å; T134-L147 PolarHBondContact N-O 2.93Å; T134-L147 PolarHBondContact OG1-N 3.03Å; T134-L147 VanDerWaalsContact OG1-N 3.1Å; T134-M149 HydrophobicContact CG2-CE 4.2Å | ||
| 135 | G | 96.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | trans | 71.3 | 178.2 | -159.8 | 0 | 0 | 0 | 0 | 0 | 112 | S133 | S133-G135 PolarHBondContact O-N 2.8Å; S133-G135 PolarHBondContact OG-N 3.14Å | ||
| 136 | L | 97.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | trans | -75.2 | 125.4 | -177.6 | -170.7 | 72.5 | 0 | 0 | 0 | 110.9 | F111 G114 F144 | F111-L136 HydrophobicContact CE2-CD1 3.87Å; F111-L136 HydrophobicContact CZ-CD1 3.71Å; G114-L136 WeakPolarHBondContact O-CD1 3.43Å; L136-F144 HydrophobicContact CD1-CB 3.68Å; L136-F144 HydrophobicContact CD1-CD1 3.87Å; L136-F144 HydrophobicContact CD1-CG 3.98Å; L136-F144 HydrophobicContact CD2-CD1 3.55Å; L136-F144 HydrophobicContact CD2-CE1 3.68Å; L136-F144 HydrophobicContact CD2-CG 4.3Å; L136-F144 HydrophobicContact CG-CB 4.32Å; L136-F144 HydrophobicContact CG-CD1 3.59Å; L136-F144 HydrophobicContact CG-CE1 4.21Å; L136-F144 HydrophobicContact CG-CG 4.23Å | ||
| 137 | I | 98.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 68 Ų | 68 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.8 | 178.7 | -61.2 | 164.7 | 0 | 0 | 0 | 109 | F144 Q145 | I137-F144 VanDerWaalsContact O-CA 3.27Å; I137-F144 WeakPolarHBondContact O-CA 3.36Å; I137-Q145 HydrophobicContact CB-CG 3.62Å; I137-Q145 WeakPolarHBondContact CB-O 3.43Å; I137-Q145 HydrophobicContact CD1-CG 4.14Å; I137-Q145 HydrophobicContact CG1-CG 4.44Å; I137-Q145 HydrophobicContact CG2-CG 3.84Å; I137-Q145 PolarHBondContact N-O 3.21Å; I137-Q145 PolarHBondContact O-N 3.27Å |
| 138 | Q | 97.8 | Very high | 96.8 | Very high | 158 Ų | 158 | 66 Ų | 66 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.2 | 175.8 | -68.1 | -178.7 | 31.4 | 0 | 0 | 110.4 | F144 | Q138-F144 HydrophobicContact CG-CD1 3.86Å; Q138-F144 HydrophobicContact CG-CE1 3.56Å |
| 139 | N | 96.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | -82.4 | -18.8 | -176.4 | -66.5 | -21.4 | 0 | 0 | 0 | 113.6 | D141 T143 Q145 | N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 WeakPolarHBondContact CB-OD1 3.37Å; N139-T143 WeakPolarHBondContact CB-O 3.43Å; N139-T143 PolarHBondContact N-O 2.7Å; N139-T143 VanDerWaalsContact N-O 3.13Å; N139-T143 PolarHBondContact ND2-OG1 3.02Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.47Å; N139-Q145 PolarHBondContact OD1-NE2 2.94Å | ||
| 140 | G | 96.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 84.7 | -1.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 141 | D | 96.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -112.9 | 24.5 | 179.5 | 69.3 | -8.6 | 0 | 0 | 0 | 113 | N139 T143 | N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 WeakPolarHBondContact CB-OD1 3.37Å; D141-T143 VanDerWaalsContact C-N 3.26Å; D141-T143 PolarHBondContact O-N 3.05Å; D141-T143 WeakPolarHBondContact OD1-CB 3.41Å; D141-T143 PolarHBondContact OD1-N 3.21Å; D141-T143 PolarHBondContact OD1-OG1 2.68Å |
| 142 | W | 96.4 | Very high | 96.4 | Very high | 152 Ų | 152 | 58.6 Ų | 58.6 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 66 | 21.6 | -172.8 | -61.1 | 74.9 | 0 | 0 | 0 | 114.9 | T79 Y112 | T79-W142 HydrophobicContact CG2-CH2 4.15Å; T79-W142 HydrophobicContact CG2-CZ3 4.06Å; Y112-W142 WeakPolarHBondContact CD2-O 3.25Å; Y112-W142 HydrophobicContact CE2-CE3 4.34Å |
| 143 | T | 98.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | trans | -123.9 | 163.7 | 169.4 | 73 | 0 | 0 | 0 | 0 | 112 | F111 N139 D141 | F111-T143 CarbonylContact O-C 3.57Å; F111-T143 WeakPolarHBondContact O-CA 3.38Å; N139-T143 WeakPolarHBondContact CB-O 3.43Å; N139-T143 PolarHBondContact N-O 2.7Å; N139-T143 VanDerWaalsContact N-O 3.13Å; N139-T143 PolarHBondContact ND2-OG1 3.02Å; D141-T143 VanDerWaalsContact C-N 3.26Å; D141-T143 PolarHBondContact O-N 3.05Å; D141-T143 WeakPolarHBondContact OD1-CB 3.41Å; D141-T143 PolarHBondContact OD1-N 3.21Å; D141-T143 PolarHBondContact OD1-OG1 2.68Å | ||
| 144 | F | 98.6 | Very high | 95.3 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 161.6 | 177.2 | -61.3 | -90.1 | 0 | 0 | 0 | 111.2 | G110 F111 Y112 G114 L136 I137 Q138 | G110-F144 PolarHBondContact N-O 2.98Å; F111-F144 WeakPolarHBondContact CD1-O 3.26Å; F111-F144 HydrophobicContact CD2-CB 4.11Å; F111-F144 HydrophobicContact CE1-CB 4.26Å; F111-F144 WeakPolarHBondContact CE1-O 3.29Å; F111-F144 HydrophobicContact CE2-CB 3.69Å; F111-F144 HydrophobicContact CZ-CB 3.77Å; F111-F144 PolarHBondContact N-O 3.02Å; F111-F144 PolarHBondContact O-N 3.05Å; Y112-F144 HydrophobicContact CD2-CD2 4.1Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; G114-F144 VanDerWaalsContact N-CE2 3.29Å; L136-F144 HydrophobicContact CD1-CB 3.68Å; L136-F144 HydrophobicContact CD1-CD1 3.87Å; L136-F144 HydrophobicContact CD1-CG 3.98Å; L136-F144 HydrophobicContact CD2-CD1 3.55Å; L136-F144 HydrophobicContact CD2-CE1 3.68Å; L136-F144 HydrophobicContact CD2-CG 4.3Å; L136-F144 HydrophobicContact CG-CB 4.32Å; L136-F144 HydrophobicContact CG-CD1 3.59Å; L136-F144 HydrophobicContact CG-CE1 4.21Å; L136-F144 HydrophobicContact CG-CG 4.23Å; I137-F144 VanDerWaalsContact O-CA 3.27Å; I137-F144 WeakPolarHBondContact O-CA 3.36Å; Q138-F144 HydrophobicContact CG-CD1 3.86Å; Q138-F144 HydrophobicContact CG-CE1 3.56Å |
| 145 | Q | 98.5 | Very high | 94.7 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.9 | 170.4 | 73.4 | 179.6 | -63.5 | 0 | 0 | 111.6 | V108 N109 I137 N139 | V108-Q145 WeakPolarHBondContact O-CA 3.37Å; N109-Q145 HydrophobicContact CB-CB 4.39Å; N109-Q145 PolarHBondContact ND2-OE1 2.99Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.41Å; I137-Q145 HydrophobicContact CB-CG 3.62Å; I137-Q145 WeakPolarHBondContact CB-O 3.43Å; I137-Q145 HydrophobicContact CD1-CG 4.14Å; I137-Q145 HydrophobicContact CG1-CG 4.44Å; I137-Q145 HydrophobicContact CG2-CG 3.84Å; I137-Q145 PolarHBondContact N-O 3.21Å; I137-Q145 PolarHBondContact O-N 3.27Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.47Å; N139-Q145 PolarHBondContact OD1-NE2 2.94Å |
| 146 | I | 98.6 | Very high | 94 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.4 | 175.4 | -173.4 | 168.9 | 0 | 0 | 0 | 109.4 | V108 F111 I116 V118 S133 V148 | V108-I146 HydrophobicContact CB-CG2 3.78Å; V108-I146 HydrophobicContact CG1-CG2 4.37Å; V108-I146 HydrophobicContact CG2-CG2 4.37Å; V108-I146 PolarHBondContact N-O 2.74Å; V108-I146 PolarHBondContact O-N 3.07Å; F111-I146 HydrophobicContact CE1-CG2 3.97Å; F111-I146 HydrophobicContact CZ-CG2 3.94Å; I116-I146 HydrophobicContact CG2-CG2 4.33Å; V118-I146 HydrophobicContact CG2-CG2 4.2Å; S133-I146 WeakPolarHBondContact OG-CD1 3.35Å; I146-V148 HydrophobicContact CD1-CG2 4.29Å; I146-V148 HydrophobicContact CG1-CG2 4.13Å |
| 147 | L | 97.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.3 | 171.4 | -60.8 | 170.8 | 0 | 0 | 0 | 108.1 | V105 S133 T134 | V105-L147 HydrophobicContact CG1-CD2 4Å; S133-L147 WeakPolarHBondContact CA-O 3.2Å; T134-L147 HydrophobicContact CG2-CB 3.75Å; T134-L147 HydrophobicContact CG2-CD1 4.1Å; T134-L147 HydrophobicContact CG2-CG 4.32Å; T134-L147 PolarHBondContact N-O 2.93Å; T134-L147 PolarHBondContact OG1-N 3.03Å; T134-L147 VanDerWaalsContact OG1-N 3.1Å |
| 148 | V | 97.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 111.9 | 173 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | C106 V118 W120 V131 I146 | C106-V148 WeakPolarHBondContact CB-O 3.26Å; C106-V148 PolarHBondContact N-O 2.86Å; C106-V148 PolarHBondContact O-N 2.73Å; V118-V148 HydrophobicContact CB-CB 4.48Å; V118-V148 HydrophobicContact CB-CG2 3.75Å; V118-V148 HydrophobicContact CG1-CB 3.82Å; V118-V148 HydrophobicContact CG1-CG1 4.33Å; V118-V148 HydrophobicContact CG1-CG2 3.59Å; V118-V148 HydrophobicContact CG2-CG2 4.36Å; W120-V148 PolarHBondContact NE1-O 2.85Å; V131-V148 HydrophobicContact CG1-CG1 3.56Å; I146-V148 HydrophobicContact CD1-CG2 4.29Å; I146-V148 HydrophobicContact CG1-CG2 4.13Å |
| 149 | M | 95.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 20% | 0.197 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.6 | -170.4 | -59.4 | 166.4 | -75.5 | 0 | 0 | 109.4 | L103 L104 V105 V131 V132 T134 | L103-M149 HydrophobicContact CD1-CB 3.89Å; L103-M149 HydrophobicContact CD2-CB 4.09Å; L103-M149 HydrophobicContact CD2-CG 4.05Å; L103-M149 HydrophobicContact CD2-SD 3.87Å; L103-M149 HydrophobicContact CG-CB 4.02Å; L103-M149 HydrophobicContact CG-CG 4.45Å; L104-M149 CarbonylContact O-C 3.55Å; L104-M149 VanDerWaalsContact O-CA 3.29Å; L104-M149 WeakPolarHBondContact O-CA 3.5Å; V105-M149 HydrophobicContact CG1-CG 4.31Å; V105-M149 HydrophobicContact CG2-CG 4.23Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.45Å; V132-M149 HydrophobicContact CB-CE 4.25Å; V132-M149 HydrophobicContact CG1-CE 4.01Å; V132-M149 PolarHBondContact N-O 2.79Å; V132-M149 PolarHBondContact O-N 3.34Å; T134-M149 HydrophobicContact CG2-CE 4.2Å |
| 150 | L | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.2 | 174.8 | 172.3 | 64.6 | 0 | 0 | 0 | 109.2 | L104 W120 E127 A129 V131 T152 Y160 | L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 2.85Å; L104-L150 PolarHBondContact O-N 3.33Å; W120-L150 HydrophobicContact CB-CD2 4.45Å; W120-L150 HydrophobicContact CD2-CB 4.09Å; W120-L150 HydrophobicContact CD2-CD2 4.22Å; W120-L150 HydrophobicContact CE3-CD2 4.32Å; W120-L150 HydrophobicContact CG-CB 4.11Å; W120-L150 HydrophobicContact CG-CD2 4.31Å; W120-L150 HydrophobicContact CZ2-CB 4.39Å; E127-L150 HydrophobicContact CG-CD1 3.66Å; E127-L150 HydrophobicContact CG-CD2 4.34Å; A129-L150 WeakPolarHBondContact O-CD1 3.13Å; V131-L150 HydrophobicContact CG2-CD1 3.79Å; L150-T152 HydrophobicContact CD2-CG2 4.27Å; L150-T152 HydrophobicContact CG-CG2 4.19Å; L150-T152 PolarHBondContact O-N 3.37Å; L150-Y160 HydrophobicContact CD2-CD1 3.64Å; L150-Y160 HydrophobicContact CD2-CE1 3.79Å |
| 151 | E | 91.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 112.3 | 172.7 | -172.9 | 174.2 | -171.6 | 0 | 0 | 110.1 | H101 L103 G130 | H101-E151 HydrophobicContact CB-CG 4.05Å; H101-E151 IonicContact CD2-OE1 3.54Å; H101-E151 IonicContact CE1-OE1 3.83Å; H101-E151 IonicContact CG-OE1 3.27Å; H101-E151 VanDerWaalsContact CG-OE1 3.27Å; H101-E151 IonicContact ND1-OE1 3.47Å; H101-E151 PolarHBondContact ND1-OE1 2.93Å; H101-E151 IonicContact NE2-OE1 3.94Å; L103-E151 HydrophobicContact CD1-CB 4.43Å; G130-E151 PolarHBondContact O-N 2.69Å |
| 152 | T | 87.3 | Confident | 93 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 172.8 | -177.1 | -165.2 | 0 | 0 | 0 | 0 | 112.3 | N102 L104 L150 P154 Y160 | N102-T152 CarbonylContact C-O 3.44Å; N102-T152 WeakPolarHBondContact CA-O 3.37Å; N102-T152 PolarHBondContact N-O 3.36Å; N102-T152 CarbonylContact O-C 3.58Å; N102-T152 PolarHBondContact O-N 2.64Å; L104-T152 HydrophobicContact CD1-CG2 4.01Å; L104-T152 HydrophobicContact CG-CG2 4.24Å; L150-T152 HydrophobicContact CD2-CG2 4.27Å; L150-T152 HydrophobicContact CG-CG2 4.19Å; L150-T152 PolarHBondContact O-N 3.37Å; T152-P154 HydrophobicContact CG2-CG 4.03Å; T152-Y160 HydrophobicContact CG2-CE1 3.8Å; T152-Y160 PolarHBondContact OG1-OH 2.98Å; T152-Y160 VanDerWaalsContact OG1-OH 3.06Å |
| 153 | V | 84.6 | Confident | 93.1 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | trans | -124.9 | 90.6 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 106.8 | H100 R155 | H100-V153 WeakPolarHBondContact O-CG2 3.41Å; V153-R155 PolarHBondContact O-N 2.95Å | ||
| 154 | P | 83.3 | Confident | 93.1 | Very high | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 128 | -172.9 | -23.8 | 32.5 | 0 | 0 | 0 | 112.3 | N102 L104 T152 Y160 W177 A179 | N102-P154 HydrophobicContact CB-CG 4.33Å; L104-P154 HydrophobicContact CD1-CG 4.44Å; T152-P154 HydrophobicContact CG2-CG 4.03Å; P154-Y160 HydrophobicContact CB-CE2 3.93Å; P154-Y160 HydrophobicContact CG-CE2 4.33Å; P154-W177 HydrophobicContact CB-CH2 3.76Å; P154-W177 HydrophobicContact CB-CZ3 3.62Å; P154-W177 HydrophobicContact CG-CH2 3.75Å; P154-W177 HydrophobicContact CG-CZ3 3.72Å; P154-A179 HydrophobicContact CB-CB 3.64Å |
| 155 | R | 83.4 | Confident | 93.1 | Very high | 178 Ų | 178 | 42 Ų | 42 | 67% | 0.672 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -98.9 | 146.2 | 174.7 | -58.3 | 180 | 176.4 | -176 | -1 | 110.1 | V153 G157 E158 A179 | V153-R155 PolarHBondContact O-N 2.95Å; R155-G157 PolarHBondContact O-N 2.79Å; R155-E158 HydrophobicContact CB-CG 4.11Å; R155-E158 WeakPolarHBondContact CB-OE2 3.5Å; R155-E158 PolarHBondContact N-OE2 2.98Å; R155-E158 VanDerWaalsContact O-CB 3.31Å; R155-E158 WeakPolarHBondContact O-CB 3.26Å; R155-E158 WeakPolarHBondContact O-CG 3.36Å; R155-E158 PolarHBondContact O-N 2.8Å; R155-A179 WeakPolarHBondContact O-CB 3.25Å |
| 156 | S | 83.3 | Confident | 93.1 | Very high | 103 Ų | 103 | 40 Ų | 40 | 72% | 0.72 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128.9 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 157 | G | 85.1 | Confident | 93.1 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | -10.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R155 | R155-G157 PolarHBondContact O-N 2.79Š|
| 158 | E | 90.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -73.8 | 143.1 | 173 | -64.3 | -177.7 | 145.1 | 0 | 0 | 111.6 | R122 R155 Y160 A179 | R122-E158 IonicContact CZ-OE1 3.42Å; R122-E158 IonicContact NE-OE1 2.74Å; R122-E158 PolarHBondContact NE-OE1 2.83Å; R122-E158 IonicContact NE-OE2 3.73Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.49Å; R122-E158 PolarHBondContact NH2-OE2 3.29Å; R155-E158 HydrophobicContact CB-CG 4.11Å; R155-E158 WeakPolarHBondContact CB-OE2 3.5Å; R155-E158 PolarHBondContact N-OE2 2.98Å; R155-E158 VanDerWaalsContact O-CB 3.31Å; R155-E158 WeakPolarHBondContact O-CB 3.26Å; R155-E158 WeakPolarHBondContact O-CG 3.36Å; R155-E158 PolarHBondContact O-N 2.8Å; E158-Y160 HydrophobicContact CB-CD2 4.46Å; E158-Y160 HydrophobicContact CB-CE2 3.81Å; E158-Y160 PolarHBondContact OE2-OH 2.79Å; E158-Y160 VanDerWaalsContact OE2-OH 3.14Å; E158-A179 PolarHBondContact O-N 3.12Å; E158-A179 VanDerWaalsContact O-N 3.16Å | ||
| 159 | V | 93.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.5 | 177.1 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | N123 E176 R178 | N123-V159 PolarHBondContact N-O 2.86Å; N123-V159 PolarHBondContact OD1-N 3.04Å; N123-V159 PolarHBondContact OD1-O 2.88Å; V159-E176 HydrophobicContact CG1-CB 4.32Å; V159-E176 HydrophobicContact CG1-CG 4.32Å; V159-R178 HydrophobicContact CG1-CG 4.36Å; V159-R178 HydrophobicContact CG2-CG 4.25Å |
| 160 | Y | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.2 | 175.4 | -65.1 | -97 | 0 | 0 | 0 | 108.8 | L104 F121 R122 L150 T152 P154 E158 E176 W177 | L104-Y160 HydrophobicContact CD1-CD1 3.69Å; L104-Y160 HydrophobicContact CD1-CD2 3.77Å; L104-Y160 HydrophobicContact CD1-CE1 4.1Å; L104-Y160 HydrophobicContact CD1-CE2 4.2Å; L104-Y160 HydrophobicContact CD1-CG 3.47Å; L104-Y160 VanDerWaalsContact CD1-CG 3.47Å; F121-Y160 CarbonylContact O-C 3.5Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.3Å; R122-Y160 HydrophobicContact CB-CD1 4.32Å; R122-Y160 HydrophobicContact CB-CE1 4.33Å; R122-Y160 HydrophobicContact CG-CD1 4.29Å; R122-Y160 HydrophobicContact CG-CE1 3.94Å; L150-Y160 HydrophobicContact CD2-CD1 3.64Å; L150-Y160 HydrophobicContact CD2-CE1 3.79Å; T152-Y160 HydrophobicContact CG2-CE1 3.8Å; T152-Y160 PolarHBondContact OG1-OH 2.98Å; T152-Y160 VanDerWaalsContact OG1-OH 3.06Å; P154-Y160 HydrophobicContact CB-CE2 3.93Å; P154-Y160 HydrophobicContact CG-CE2 4.33Å; E158-Y160 HydrophobicContact CB-CD2 4.46Å; E158-Y160 HydrophobicContact CB-CE2 3.81Å; E158-Y160 PolarHBondContact OE2-OH 2.79Å; E158-Y160 VanDerWaalsContact OE2-OH 3.14Å; Y160-E176 CarbonylContact O-C 3.58Å; Y160-E176 WeakPolarHBondContact O-CA 3.49Å; Y160-W177 AromaticContact CD2-CE3 3.81Å; Y160-W177 HydrophobicContact CD2-CE3 3.81Å; Y160-W177 AromaticContact CD2-CZ3 3.93Å; Y160-W177 HydrophobicContact CD2-CZ3 3.93Å; Y160-W177 HydrophobicContact CE2-CZ3 4.2Å; Y160-W177 HydrophobicContact CG-CE3 4.44Å; Y160-W177 PolarHBondContact N-O 2.98Å; Y160-W177 PolarHBondContact O-N 2.85Å |
| 161 | T | 98 | Very high | 93.3 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.1 | -178.7 | -52 | 0 | 0 | 0 | 0 | 109.3 | W120 F121 T174 V175 E176 | W120-T161 CarbonylContact C-O 3.58Å; F121-T161 PolarHBondContact N-O 2.84Å; F121-T161 PolarHBondContact O-N 2.88Å; T161-T174 HydrophobicContact CG2-CG2 4.26Å; T161-V175 WeakPolarHBondContact CA-O 3.39Å; T161-E176 HydrophobicContact CG2-CG 4.39Å |
| 162 | C | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.2 | 164 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V90 C106 W120 T174 V175 | V90-C162 HydrophobicContact CG2-CB 3.62Å; C106-C162 HydrophobicContact CB-CB 3.61Å; C106-C162 WeakPolarHBondContact CB-SG 3.05Å; C106-C162 WeakPolarHBondContact SG-CB 3.39Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 2.7Å; W120-C162 HydrophobicContact CE3-CB 4.34Å; W120-C162 HydrophobicContact CH2-CB 4.3Å; W120-C162 HydrophobicContact CZ3-CB 4.16Å; C162-T174 WeakPolarHBondContact O-CA 3.24Å; C162-V175 PolarHBondContact N-O 3Å; C162-V175 PolarHBondContact O-N 2.93Å |
| 163 | Q | 98.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.1 | 175.9 | -173.6 | 179.7 | 55.3 | 0 | 0 | 109.6 | V118 R119 F121 P172 L173 T174 | V118-Q163 WeakPolarHBondContact CA-O 3.43Å; R119-Q163 PolarHBondContact N-O 3.29Å; R119-Q163 PolarHBondContact O-N 3.12Å; F121-Q163 HydrophobicContact CD2-CB 4.11Å; F121-Q163 HydrophobicContact CE2-CB 3.74Å; F121-Q163 HydrophobicContact CE2-CG 4.47Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.22Å; Q163-P172 HydrophobicContact CG-CB 3.65Å; Q163-L173 CarbonylContact C-O 3.5Å; Q163-L173 VanDerWaalsContact CA-O 3.28Å; Q163-L173 WeakPolarHBondContact CA-O 3.02Å; Q163-T174 HydrophobicContact CB-CG2 4.28Å; Q163-T174 HydrophobicContact CG-CG2 3.96Å |
| 164 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.3 | -178 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | P86 V88 V108 I116 E117 V118 P172 L173 | P86-V164 HydrophobicContact CG-CG1 4.07Å; V88-V164 HydrophobicContact CG1-CG2 4.06Å; V88-V164 HydrophobicContact CG2-CB 4.18Å; V88-V164 HydrophobicContact CG2-CG2 3.73Å; V108-V164 HydrophobicContact CG1-CG1 4.03Å; V108-V164 HydrophobicContact CG1-CG2 4.34Å; V108-V164 HydrophobicContact CG2-CG2 3.74Å; I116-V164 HydrophobicContact CD1-CG1 3.69Å; I116-V164 HydrophobicContact CG1-CG1 3.91Å; E117-V164 CarbonylContact O-C 3.46Å; E117-V164 WeakPolarHBondContact O-CA 3.36Å; V118-V164 HydrophobicContact CG1-CG2 4.23Å; V118-V164 HydrophobicContact CG2-CG1 4.35Å; V118-V164 HydrophobicContact CG2-CG2 4.21Å; V164-P172 CarbonylContact O-C 3.51Å; V164-P172 WeakPolarHBondContact O-CA 3.31Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 3.21Å; V164-L173 PolarHBondContact O-N 3.23Å |
| 165 | E | 98.7 | Very high | 95.4 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.8 | 169.7 | -55.8 | -170.5 | -172 | 0 | 0 | 109.3 | I116 E117 R119 P172 | I116-E165 WeakPolarHBondContact CG1-O 3.45Å; E117-E165 HydrophobicContact CB-CB 4.25Å; E117-E165 PolarHBondContact N-O 3.24Å; E117-E165 PolarHBondContact O-N 3Å; R119-E165 IonicContact CZ-OE1 3.59Å; R119-E165 IonicContact NH1-OE1 2.65Å; R119-E165 IonicContact NH2-OE1 3.42Å; R119-E165 PolarHBondContact NH2-OE1 3.47Å; E165-P172 HydrophobicContact CG-CB 4.04Å; E165-P172 HydrophobicContact CG-CG 4.03Å |
| 166 | H | 98.7 | Very high | 96 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | trans | -149.6 | 140.3 | -177.6 | -179.1 | -105 | 0 | 0 | 0 | 110.4 | V84 P86 F111 Y112 P113 S115 I116 S168 V169 | V84-H166 PolarHBondContact O-CE1 2.79Å; P86-H166 HydrophobicContact CG-CB 4.23Å; F111-H166 AromaticContact CD2-CD2 3.86Å; F111-H166 AromaticContact CD2-NE2 3.7Å; Y112-H166 PolarHBondContact O-CE1 2.95Å; P113-H166 PolarHBondContact O-NE2 2.75Å; S115-H166 PolarHBondContact O-CD2 2.77Å; S115-H166 VanDerWaalsContact O-CD2 3.3Å; I116-H166 HydrophobicContact CD1-CB 4.44Å; I116-H166 HydrophobicContact CG1-CB 4.25Å; H166-S168 PolarHBondContact CE1-OG 3.21Å; H166-S168 VanDerWaalsContact ND1-CB 3.29Å; H166-S168 WeakPolarHBondContact ND1-CB 3.31Å; H166-S168 PolarHBondContact ND1-N 2.77Å; H166-S168 PolarHBondContact ND1-OG 3.39Å; H166-S168 PolarHBondContact O-N 2.98Å; H166-V169 HydrophobicContact CB-CG2 4.32Å; H166-V169 VanDerWaalsContact O-CG2 3.22Å; H166-V169 WeakPolarHBondContact O-CG2 3.46Å; H166-V169 PolarHBondContact O-N 3.07Å | ||
| 167 | P | 98.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -8.9 | -176.3 | -27.2 | 36.1 | 0 | 0 | 0 | 116.6 | P113 S115 | P113-P167 HydrophobicContact CG-CG 4.47Å; S115-P167 VanDerWaalsContact O-CD 3.31Å; S115-P167 WeakPolarHBondContact O-CD 3.34Å |
| 168 | S | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.2 | 175.1 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | E85 H166 | E85-S168 VanDerWaalsContact CA-OG 3.25Å; E85-S168 WeakPolarHBondContact CA-OG 3.43Å; E85-S168 WeakPolarHBondContact CG-OG 3.39Å; H166-S168 PolarHBondContact CE1-OG 3.21Å; H166-S168 VanDerWaalsContact ND1-CB 3.29Å; H166-S168 WeakPolarHBondContact ND1-CB 3.31Å; H166-S168 PolarHBondContact ND1-N 2.77Å; H166-S168 PolarHBondContact ND1-OG 3.39Å; H166-S168 PolarHBondContact O-N 2.98Å |
| 169 | V | 97.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | trans | -119.1 | 144.7 | -177.1 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | E85 H166 S171 L173 | E85-V169 HydrophobicContact CB-CG1 4.35Å; E85-V169 HydrophobicContact CG-CG1 3.78Å; H166-V169 HydrophobicContact CB-CG2 4.32Å; H166-V169 VanDerWaalsContact O-CG2 3.22Å; H166-V169 WeakPolarHBondContact O-CG2 3.46Å; H166-V169 PolarHBondContact O-N 3.07Å; V169-S171 WeakPolarHBondContact CG2-O 3.3Å; V169-L173 HydrophobicContact CG1-CD1 4.22Å; V169-L173 HydrophobicContact CG1-CD2 4.38Å; V169-L173 HydrophobicContact CG1-CG 4.35Å; V169-L173 HydrophobicContact CG2-CG 4.32Å | ||
| 170 | T | 97 | Very high | 95.3 | Very high | 153 Ų | 153 | 55.8 Ų | 55.8 | 94% | 0.939 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -83.9 | -19.3 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 171 | S | 97.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 54% | 0.538 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -134.8 | 151.7 | 177.6 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | V169 L173 | V169-S171 WeakPolarHBondContact CG2-O 3.3Å; S171-L173 PolarHBondContact O-N 3.49Å |
| 172 | P | 97.7 | Very high | 91.6 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | trans | -61.4 | 134.4 | -179.3 | -21.8 | 32.4 | 0 | 0 | 0 | 111.7 | Q163 V164 E165 | Q163-P172 HydrophobicContact CG-CB 3.65Å; V164-P172 CarbonylContact O-C 3.51Å; V164-P172 WeakPolarHBondContact O-CA 3.31Å; E165-P172 HydrophobicContact CG-CB 4.04Å; E165-P172 HydrophobicContact CG-CG 4.03Å | ||
| 173 | L | 98.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.6 | 173.2 | -62 | 168.1 | 0 | 0 | 0 | 109 | P86 V88 Q163 V164 V169 S171 | P86-L173 HydrophobicContact CG-CD1 3.64Å; V88-L173 HydrophobicContact CG2-CB 4.35Å; V88-L173 HydrophobicContact CG2-CD1 4.11Å; Q163-L173 CarbonylContact C-O 3.5Å; Q163-L173 VanDerWaalsContact CA-O 3.28Å; Q163-L173 WeakPolarHBondContact CA-O 3.02Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 3.21Å; V164-L173 PolarHBondContact O-N 3.23Å; V169-L173 HydrophobicContact CG1-CD1 4.22Å; V169-L173 HydrophobicContact CG1-CD2 4.38Å; V169-L173 HydrophobicContact CG1-CG 4.35Å; V169-L173 HydrophobicContact CG2-CG 4.32Å; S171-L173 PolarHBondContact O-N 3.49Å |
| 174 | T | 97.8 | Very high | 87.3 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.8 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | T161 C162 Q163 | T161-T174 HydrophobicContact CG2-CG2 4.26Å; C162-T174 WeakPolarHBondContact O-CA 3.24Å; Q163-T174 HydrophobicContact CB-CG2 4.28Å; Q163-T174 HydrophobicContact CG-CG2 3.96Å |
| 175 | V | 97.9 | Very high | 85.4 | Confident | 44 Ų | 44 | 73 Ų | 73 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.4 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | V88 V90 T161 C162 | V88-V175 HydrophobicContact CB-CG2 3.79Å; V88-V175 HydrophobicContact CG1-CB 4.15Å; V88-V175 HydrophobicContact CG1-CG2 3.59Å; V90-V175 HydrophobicContact CB-CG1 3.99Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.69Å; T161-V175 WeakPolarHBondContact CA-O 3.39Å; C162-V175 PolarHBondContact N-O 3Å; C162-V175 PolarHBondContact O-N 2.93Å |
| 176 | E | 96.4 | Very high | 83.5 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.9 | 175.9 | -63.4 | -167.9 | 167.9 | 0 | 0 | 111.6 | V159 Y160 T161 R178 | V159-E176 HydrophobicContact CG1-CB 4.32Å; V159-E176 HydrophobicContact CG1-CG 4.32Å; Y160-E176 CarbonylContact O-C 3.58Å; Y160-E176 WeakPolarHBondContact O-CA 3.49Å; T161-E176 HydrophobicContact CG2-CG 4.39Å; E176-R178 IonicContact OE2-CZ 3.96Å; E176-R178 IonicContact OE2-NE 3.37Å; E176-R178 IonicContact OE2-NH2 3.61Å; E176-R178 PolarHBondContact OE2-NH2 2.93Å |
| 177 | W | 94 | Very high | 81.6 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 21% | 0.205 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.2 | 168.1 | -177.3 | 92 | 0 | 0 | 0 | 109.1 | V90 P92 L104 P154 Y160 A179 | V90-W177 HydrophobicContact CB-CB 4.3Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 3.98Å; P92-W177 HydrophobicContact CB-CZ2 4.38Å; P92-W177 HydrophobicContact CG-CZ2 4.3Å; L104-W177 HydrophobicContact CD1-CD2 4.42Å; L104-W177 HydrophobicContact CD1-CE3 3.71Å; L104-W177 HydrophobicContact CD1-CZ3 3.91Å; L104-W177 HydrophobicContact CD2-CD2 3.66Å; L104-W177 HydrophobicContact CD2-CE3 3.67Å; L104-W177 HydrophobicContact CD2-CG 4.3Å; L104-W177 HydrophobicContact CD2-CH2 3.97Å; L104-W177 HydrophobicContact CD2-CZ2 3.97Å; L104-W177 HydrophobicContact CD2-CZ3 3.82Å; L104-W177 HydrophobicContact CG-CE3 4.36Å; L104-W177 HydrophobicContact CG-CZ3 4.43Å; P154-W177 HydrophobicContact CB-CH2 3.76Å; P154-W177 HydrophobicContact CB-CZ3 3.62Å; P154-W177 HydrophobicContact CG-CH2 3.75Å; P154-W177 HydrophobicContact CG-CZ3 3.72Å; Y160-W177 AromaticContact CD2-CE3 3.81Å; Y160-W177 HydrophobicContact CD2-CE3 3.81Å; Y160-W177 AromaticContact CD2-CZ3 3.93Å; Y160-W177 HydrophobicContact CD2-CZ3 3.93Å; Y160-W177 HydrophobicContact CE2-CZ3 4.2Å; Y160-W177 HydrophobicContact CG-CE3 4.44Å; Y160-W177 PolarHBondContact N-O 2.98Å; Y160-W177 PolarHBondContact O-N 2.85Å; W177-A179 HydrophobicContact CH2-CB 4.14Å; W177-A179 HydrophobicContact CZ3-CB 3.89Å |
| 178 | R | 90.8 | Very high | 79.8 | Confident | 142 Ų | 142 | 82.8 Ų | 82.8 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.2 | -177.9 | -64.2 | -177.2 | -179 | -99.5 | -9.7 | 109.7 | V159 E176 Q180 | V159-R178 HydrophobicContact CG1-CG 4.36Å; V159-R178 HydrophobicContact CG2-CG 4.25Å; E176-R178 IonicContact OE2-CZ 3.96Å; E176-R178 IonicContact OE2-NE 3.37Å; E176-R178 IonicContact OE2-NH2 3.61Å; E176-R178 PolarHBondContact OE2-NH2 2.93Å; R178-Q180 PolarHBondContact O-N 2.96Å |
| 179 | A | 82.4 | Confident | 78 | Confident | 10 Ų | 10 | 87.9 Ų | 87.9 | 8% | 0.083 | 47% | 0.472 | C | S | . | . | trans | -66.8 | 99.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P154 R155 E158 W177 | P154-A179 HydrophobicContact CB-CB 3.64Å; R155-A179 WeakPolarHBondContact O-CB 3.25Å; E158-A179 PolarHBondContact O-N 3.12Å; E158-A179 VanDerWaalsContact O-N 3.16Å; W177-A179 HydrophobicContact CH2-CB 4.14Å; W177-A179 HydrophobicContact CZ3-CB 3.89Å | ||
| 180 | Q | 71.9 | Confident | 76.6 | Confident | 134 Ų | 134 | 90.8 Ų | 90.8 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | trans | -87.1 | 142 | 170.4 | -65.7 | -168.6 | -13.3 | 0 | 0 | 109.7 | R178 | R178-Q180 PolarHBondContact O-N 2.96Š| ||
| 181 | S | 57.9 | Low | 75.3 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | trans | -68.5 | 132.3 | 167.6 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | S183 A184 | S181-S183 PolarHBondContact O-N 3.05Å; S181-S183 VanDerWaalsContact O-N 3.08Å; S181-S183 WeakPolarHBondContact OG-CB 3.23Å; S181-S183 PolarHBondContact OG-N 3.49Å; S181-S183 VanDerWaalsContact OG-N 3.16Å; S181-A184 WeakPolarHBondContact O-CB 3.32Å; S181-A184 PolarHBondContact O-N 3.4Å | ||
| 182 | E | 57.9 | Low | 74.3 | Confident | 140 Ų | 140 | 86.7 Ų | 86.7 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -52.7 | -29 | 168.3 | -73.3 | -170.7 | 159.3 | 0 | 0 | 111.5 | R94 A184 S186 | R94-E182 IonicContact NH2-OE1 3.15Å; R94-E182 PolarHBondContact NH2-OE1 2.87Å; R94-E182 VanDerWaalsContact NH2-OE1 3.15Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 2.94Å; E182-S186 WeakPolarHBondContact O-CB 3.24Å; E182-S186 PolarHBondContact O-N 3.44Å; E182-S186 VanDerWaalsContact O-N 3.14Å |
| 183 | S | 53.8 | Low | 73.1 | Confident | 51 Ų | 51 | 85.9 Ų | 85.9 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | S181 K187 | S181-S183 PolarHBondContact O-N 3.05Å; S181-S183 VanDerWaalsContact O-N 3.08Å; S181-S183 WeakPolarHBondContact OG-CB 3.23Å; S181-S183 PolarHBondContact OG-N 3.49Å; S181-S183 VanDerWaalsContact OG-N 3.16Å; S183-K187 VanDerWaalsContact O-CB 3.3Å; S183-K187 WeakPolarHBondContact O-CB 3.49Å; S183-K187 WeakPolarHBondContact O-CD 3.5Å; S183-K187 WeakPolarHBondContact O-CG 3.42Å; S183-K187 PolarHBondContact O-N 3.33Å; S183-K187 WeakPolarHBondContact OG-CE 3.48Å; S183-K187 PolarHBondContact OG-NZ 3.03Å |
| 184 | A | 53.4 | Low | 72.2 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.4 | -41.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | S181 E182 K187 M188 | S181-A184 WeakPolarHBondContact O-CB 3.32Å; S181-A184 PolarHBondContact O-N 3.4Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 2.94Å; A184-K187 PolarHBondContact O-N 3.2Å; A184-M188 WeakPolarHBondContact O-CB 3.32Å; A184-M188 PolarHBondContact O-N 2.91Å |
| 185 | Q | 57.8 | Low | 71.5 | Confident | 116 Ų | 116 | 88 Ų | 88 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.4 | -87.6 | -177.7 | -27.7 | 0 | 0 | 111.9 | M188 L189 | Q185-M188 PolarHBondContact O-N 3.49Å; Q185-L189 WeakPolarHBondContact O-CD1 3.42Å; Q185-L189 PolarHBondContact O-N 2.87Å; Q185-L189 VanDerWaalsContact O-N 3.11Å |
| 186 | S | 58.1 | Low | 70.9 | Confident | 80 Ų | 80 | 89.6 Ų | 89.6 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | E182 M188 L189 S190 | E182-S186 WeakPolarHBondContact O-CB 3.24Å; E182-S186 PolarHBondContact O-N 3.44Å; E182-S186 VanDerWaalsContact O-N 3.14Å; S186-M188 PolarHBondContact O-N 2.92Å; S186-L189 PolarHBondContact O-N 2.86Å; S186-S190 PolarHBondContact O-N 2.95Å |
| 187 | K | 59.6 | Low | 70.4 | Confident | 145 Ų | 145 | 89.1 Ų | 89.1 | 63% | 0.63 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 177.7 | -76.6 | 169.7 | 177.4 | 167.2 | 0 | 112.5 | S183 A184 S190 G191 | S183-K187 VanDerWaalsContact O-CB 3.3Å; S183-K187 WeakPolarHBondContact O-CB 3.49Å; S183-K187 WeakPolarHBondContact O-CD 3.5Å; S183-K187 WeakPolarHBondContact O-CG 3.42Å; S183-K187 PolarHBondContact O-N 3.33Å; S183-K187 WeakPolarHBondContact OG-CE 3.48Å; S183-K187 PolarHBondContact OG-NZ 3.03Å; A184-K187 PolarHBondContact O-N 3.2Å; K187-S190 PolarHBondContact O-N 3.13Å; K187-G191 PolarHBondContact O-N 2.04Å |
| 188 | M | 60 | Low | 70.1 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -41.3 | 177.9 | -157.4 | -179.6 | 114.7 | 0 | 0 | 112 | A184 Q185 S186 G191 I192 | A184-M188 WeakPolarHBondContact O-CB 3.32Å; A184-M188 PolarHBondContact O-N 2.91Å; Q185-M188 PolarHBondContact O-N 3.49Å; S186-M188 PolarHBondContact O-N 2.92Å; M188-G191 PolarHBondContact O-N 3.02Å; M188-I192 HydrophobicContact CE-CD1 4.34Å; M188-I192 WeakPolarHBondContact O-CG1 3.31Å; M188-I192 PolarHBondContact O-N 3.37Å; M188-I192 VanDerWaalsContact O-N 3.12Å |
| 189 | L | 60.9 | Low | 70.1 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 174.2 | -98.6 | 98.4 | 0 | 0 | 0 | 112.5 | Q185 S186 G191 I192 G193 | Q185-L189 WeakPolarHBondContact O-CD1 3.42Å; Q185-L189 PolarHBondContact O-N 2.87Å; Q185-L189 VanDerWaalsContact O-N 3.11Å; S186-L189 PolarHBondContact O-N 2.86Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 3.46Å; L189-I192 PolarHBondContact O-N 2.82Å; L189-G193 PolarHBondContact O-N 2.96Å; L189-G193 VanDerWaalsContact O-N 3.1Å |
| 190 | S | 69 | Low | 70.4 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -35.2 | 176.3 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | S186 K187 G194 | S186-S190 PolarHBondContact O-N 2.95Å; K187-S190 PolarHBondContact O-N 3.13Å; S190-G194 PolarHBondContact O-N 3.18Å; S190-G194 VanDerWaalsContact O-N 3.08Å |
| 191 | G | 69.6 | Low | 71.2 | Confident | 46 Ų | 46 | 91.9 Ų | 91.9 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K187 M188 L189 G194 F195 | K187-G191 PolarHBondContact O-N 2.04Å; M188-G191 PolarHBondContact O-N 3.02Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 3.46Å; G191-G194 PolarHBondContact O-N 3.33Å; G191-F195 PolarHBondContact O-N 3.44Å |
| 192 | I | 76.1 | Confident | 72.7 | Confident | 98 Ų | 98 | 94.9 Ų | 94.9 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.9 | -66.9 | 167.9 | 0 | 0 | 0 | 110.5 | M188 L189 G194 F195 V196 | M188-I192 HydrophobicContact CE-CD1 4.34Å; M188-I192 WeakPolarHBondContact O-CG1 3.31Å; M188-I192 PolarHBondContact O-N 3.37Å; M188-I192 VanDerWaalsContact O-N 3.12Å; L189-I192 PolarHBondContact O-N 2.82Å; I192-G194 VanDerWaalsContact C-N 3.34Å; I192-G194 PolarHBondContact O-N 2.83Å; I192-F195 PolarHBondContact O-N 3.07Å; I192-V196 HydrophobicContact CG2-CG2 4.46Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.9Å |
| 193 | G | 71.9 | Confident | 74.2 | Confident | 36 Ų | 36 | 90.2 Ų | 90.2 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L189 L197 | L189-G193 PolarHBondContact O-N 2.96Å; L189-G193 VanDerWaalsContact O-N 3.1Å; G193-L197 WeakPolarHBondContact O-CG 3.48Å; G193-L197 PolarHBondContact O-N 3.03Å; G193-L197 VanDerWaalsContact O-N 3.17Å |
| 194 | G | 79.7 | Confident | 75.9 | Confident | 42 Ų | 42 | 90.2 Ų | 90.2 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S190 G191 I192 L197 G198 | S190-G194 PolarHBondContact O-N 3.18Å; S190-G194 VanDerWaalsContact O-N 3.08Å; G191-G194 PolarHBondContact O-N 3.33Å; I192-G194 VanDerWaalsContact C-N 3.34Å; I192-G194 PolarHBondContact O-N 2.83Å; G194-L197 PolarHBondContact O-N 3.21Å; G194-G198 PolarHBondContact O-N 2.9Å |
| 195 | F | 82.1 | Confident | 77.6 | Confident | 141 Ų | 141 | 89.6 Ų | 89.6 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 179.1 | -171.3 | -103.3 | 0 | 0 | 0 | 112.5 | G191 I192 G198 L199 | G191-F195 PolarHBondContact O-N 3.44Å; I192-F195 PolarHBondContact O-N 3.07Å; F195-G198 PolarHBondContact O-N 3.07Å; F195-L199 HydrophobicContact CD1-CD1 3.9Å; F195-L199 HydrophobicContact CD1-CG 4.41Å; F195-L199 HydrophobicContact CE1-CD1 3.49Å; F195-L199 VanDerWaalsContact CE1-CD1 3.49Å; F195-L199 HydrophobicContact CE1-CG 4.11Å; F195-L199 HydrophobicContact CZ-CD1 4.13Å; F195-L199 HydrophobicContact CZ-CG 4.38Å; F195-L199 PolarHBondContact O-N 3.33Å |
| 196 | V | 86.5 | Confident | 79 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | I192 G198 L199 L200 | I192-V196 HydrophobicContact CG2-CG2 4.46Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.9Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.4Å; V196-L199 PolarHBondContact O-N 2.83Å; V196-L200 HydrophobicContact CG1-CD1 4.39Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.39Å; V196-L200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 86.2 | Confident | 80.2 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.4 | -76.5 | 165.4 | 0 | 0 | 0 | 111.5 | G193 G194 L199 L200 F201 | G193-L197 WeakPolarHBondContact O-CG 3.48Å; G193-L197 PolarHBondContact O-N 3.03Å; G193-L197 VanDerWaalsContact O-N 3.17Å; G194-L197 PolarHBondContact O-N 3.21Å; L197-L199 PolarHBondContact O-N 3.43Å; L197-L200 PolarHBondContact O-N 3.11Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 3.47Å; L197-F201 VanDerWaalsContact O-N 3.11Å |
| 198 | G | 86.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 90.4 Ų | 90.4 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G194 F195 V196 F201 L202 | G194-G198 PolarHBondContact O-N 2.9Å; F195-G198 PolarHBondContact O-N 3.07Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.4Å; G198-F201 PolarHBondContact O-N 3.01Å; G198-L202 WeakPolarHBondContact O-CB 3.3Å; G198-L202 WeakPolarHBondContact O-CG 3.34Å; G198-L202 PolarHBondContact O-N 3.29Å |
| 199 | L | 91.1 | Very high | 82.6 | Confident | 95 Ų | 95 | 90.5 Ų | 90.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.7 | -73.7 | 176.5 | 0 | 0 | 0 | 112.8 | F195 V196 L197 L202 G203 | F195-L199 HydrophobicContact CD1-CD1 3.9Å; F195-L199 HydrophobicContact CD1-CG 4.41Å; F195-L199 HydrophobicContact CE1-CD1 3.49Å; F195-L199 VanDerWaalsContact CE1-CD1 3.49Å; F195-L199 HydrophobicContact CE1-CG 4.11Å; F195-L199 HydrophobicContact CZ-CD1 4.13Å; F195-L199 HydrophobicContact CZ-CG 4.38Å; F195-L199 PolarHBondContact O-N 3.33Å; V196-L199 PolarHBondContact O-N 2.83Å; L197-L199 PolarHBondContact O-N 3.43Å; L199-L202 PolarHBondContact O-N 2.64Å; L199-G203 PolarHBondContact O-N 3.29Å |
| 200 | L | 89.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 89.7 Ų | 89.7 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.6 | -72.1 | 170.4 | 0 | 0 | 0 | 111.5 | V196 L197 G203 A204 | V196-L200 HydrophobicContact CG1-CD1 4.39Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.39Å; V196-L200 VanDerWaalsContact O-N 3.1Å; L197-L200 PolarHBondContact O-N 3.11Å; L200-G203 PolarHBondContact O-N 3.47Å; L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.19Å |
| 201 | F | 88.8 | Confident | 83.8 | Confident | 156 Ų | 156 | 92.6 Ų | 92.6 | 68% | 0.684 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 176.5 | -77.6 | -66.4 | 0 | 0 | 0 | 112.5 | L197 G198 A204 G205 | L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 3.47Å; L197-F201 VanDerWaalsContact O-N 3.11Å; G198-F201 PolarHBondContact O-N 3.01Å; F201-A204 PolarHBondContact O-N 2.62Å; F201-G205 PolarHBondContact O-N 3.34Å |
| 202 | L | 89.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 175 | -78.4 | 167.2 | 0 | 0 | 0 | 111.8 | G198 L199 G205 L206 | G198-L202 WeakPolarHBondContact O-CB 3.3Å; G198-L202 WeakPolarHBondContact O-CG 3.34Å; G198-L202 PolarHBondContact O-N 3.29Å; L199-L202 PolarHBondContact O-N 2.64Å; L202-G205 PolarHBondContact O-N 3.05Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.34Å |
| 203 | G | 89 | Confident | 83.5 | Confident | 42 Ų | 42 | 96.1 Ų | 96.1 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L199 L200 L206 F207 | L199-G203 PolarHBondContact O-N 3.29Å; L200-G203 PolarHBondContact O-N 3.47Å; G203-L206 PolarHBondContact O-N 3.34Å; G203-F207 WeakPolarHBondContact O-CB 3.31Å; G203-F207 PolarHBondContact O-N 3.44Å |
| 204 | A | 89.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L200 F201 F207 I208 | L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.19Å; F201-A204 PolarHBondContact O-N 2.62Å; A204-F207 PolarHBondContact O-N 3.41Å; A204-I208 WeakPolarHBondContact O-CG1 3.41Å; A204-I208 PolarHBondContact O-N 3.44Å |
| 205 | G | 87.7 | Confident | 81.6 | Confident | 39 Ų | 39 | 104.1 Ų | 104.1 | 40% | 0.402 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F201 L202 F207 I208 Y209 | F201-G205 PolarHBondContact O-N 3.34Å; L202-G205 PolarHBondContact O-N 3.05Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 2.97Å; G205-I208 PolarHBondContact O-N 3.1Å; G205-Y209 WeakPolarHBondContact O-CB 3.49Å; G205-Y209 PolarHBondContact O-N 3.23Å |
| 206 | L | 87.7 | Confident | 80.2 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.4 | -44.6 | 175.3 | -123 | 85.1 | 0 | 0 | 0 | 111.3 | L202 G203 I208 Y209 F210 | L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.34Å; G203-L206 PolarHBondContact O-N 3.34Å; L206-I208 PolarHBondContact O-N 3.35Å; L206-Y209 PolarHBondContact O-N 3.4Å; L206-F210 HydrophobicContact CD2-CD2 4.36Å; L206-F210 HydrophobicContact CD2-CE2 3.71Å; L206-F210 HydrophobicContact CG-CD2 4.25Å; L206-F210 HydrophobicContact CG-CE2 3.87Å; L206-F210 WeakPolarHBondContact O-CD2 3.24Å; L206-F210 PolarHBondContact O-N 2.9Å |
| 207 | F | 84.7 | Confident | 78.4 | Confident | 142 Ų | 142 | 107.3 Ų | 107.3 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.5 | -45.4 | 179.7 | -177.5 | -98.2 | 0 | 0 | 0 | 112 | G203 A204 G205 K211 | G203-F207 WeakPolarHBondContact O-CB 3.31Å; G203-F207 PolarHBondContact O-N 3.44Å; A204-F207 PolarHBondContact O-N 3.41Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 2.97Å; F207-K211 HydrophobicContact CE1-CD 4.1Å; F207-K211 HydrophobicContact CZ-CD 4.4Å; F207-K211 WeakPolarHBondContact O-CB 3.36Å; F207-K211 PolarHBondContact O-N 3.3Å |
| 208 | I | 84.3 | Confident | 76.7 | Confident | 116 Ų | 116 | 105.7 Ų | 105.7 | 60% | 0.595 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -45.6 | 175.7 | -67.1 | 169.4 | 0 | 0 | 0 | 110.5 | A204 G205 L206 F210 K211 N212 | A204-I208 WeakPolarHBondContact O-CG1 3.41Å; A204-I208 PolarHBondContact O-N 3.44Å; G205-I208 PolarHBondContact O-N 3.1Å; L206-I208 PolarHBondContact O-N 3.35Å; I208-F210 PolarHBondContact O-N 2.99Å; I208-K211 PolarHBondContact O-N 3.21Å; I208-N212 PolarHBondContact O-N 3.08Å |
| 209 | Y | 84.7 | Confident | 74.6 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -57.4 | -48.5 | 178.5 | 177.2 | -98.3 | 0 | 0 | 0 | 112.3 | G205 L206 K211 N212 Q213 | G205-Y209 WeakPolarHBondContact O-CB 3.49Å; G205-Y209 PolarHBondContact O-N 3.23Å; L206-Y209 PolarHBondContact O-N 3.4Å; Y209-K211 PolarHBondContact O-N 2.8Å; Y209-N212 PolarHBondContact O-N 2.93Å; Y209-Q213 HydrophobicContact CE1-CG 4.32Å; Y209-Q213 PolarHBondContact O-N 3.14Å; Y209-Q213 PolarHBondContact OH-NE2 2.95Å |
| 210 | F | 79.5 | Confident | 72.3 | Confident | 113 Ų | 113 | 115.7 Ų | 115.7 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68 | -33.1 | 177.5 | -79 | -63.7 | 0 | 0 | 0 | 113.2 | L206 I208 N212 K214 | L206-F210 HydrophobicContact CD2-CD2 4.36Å; L206-F210 HydrophobicContact CD2-CE2 3.71Å; L206-F210 HydrophobicContact CG-CD2 4.25Å; L206-F210 HydrophobicContact CG-CE2 3.87Å; L206-F210 WeakPolarHBondContact O-CD2 3.24Å; L206-F210 PolarHBondContact O-N 2.9Å; I208-F210 PolarHBondContact O-N 2.99Å; F210-N212 VanDerWaalsContact C-N 3.3Å; F210-K214 PolarHBondContact O-N 3.36Å |
| 211 | K | 76.4 | Confident | 70.3 | Confident | 149 Ų | 149 | 115.5 Ų | 115.5 | 65% | 0.648 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64 | -37.6 | 172 | -121.2 | -175 | 78.9 | 167.6 | 0 | 111.6 | F207 I208 Y209 K214 | F207-K211 HydrophobicContact CE1-CD 4.1Å; F207-K211 HydrophobicContact CZ-CD 4.4Å; F207-K211 WeakPolarHBondContact O-CB 3.36Å; F207-K211 PolarHBondContact O-N 3.3Å; I208-K211 PolarHBondContact O-N 3.21Å; Y209-K211 PolarHBondContact O-N 2.8Å; K211-K214 PolarHBondContact O-N 3.1Å |
| 212 | N | 71.9 | Confident | 68.2 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.8 | -35.6 | -178.7 | -141.9 | 17.7 | 0 | 0 | 0 | 112.2 | I208 Y209 F210 K214 G215 | I208-N212 PolarHBondContact O-N 3.08Å; Y209-N212 PolarHBondContact O-N 2.93Å; F210-N212 VanDerWaalsContact C-N 3.3Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.98Å; N212-G215 PolarHBondContact O-N 3.4Å; N212-G215 VanDerWaalsContact O-N 3.15Å |
| 213 | Q | 67.1 | Low | 65.8 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 47% | 0.472 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.4 | -34.1 | 172.6 | -77.4 | -163.1 | -27.6 | 0 | 0 | 113.1 | Y209 G215 H216 | Y209-Q213 HydrophobicContact CE1-CG 4.32Å; Y209-Q213 PolarHBondContact O-N 3.14Å; Y209-Q213 PolarHBondContact OH-NE2 2.95Å; Q213-G215 PolarHBondContact O-N 2.7Å; Q213-H216 PolarHBondContact O-N 3.4Å |
| 214 | K | 57.8 | Low | 63.5 | Low | 185 Ų | 185 | 118.5 Ų | 118.5 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -13.2 | 174.4 | -77.6 | -176.5 | 177.5 | -179.2 | 0 | 114.1 | F210 K211 N212 | F210-K214 PolarHBondContact O-N 3.36Å; K211-K214 PolarHBondContact O-N 3.1Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.98Å |
| 215 | G | 54.3 | Low | 61.2 | Low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -5.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | N212 Q213 | N212-G215 PolarHBondContact O-N 3.4Å; N212-G215 VanDerWaalsContact O-N 3.15Å; Q213-G215 PolarHBondContact O-N 2.7Å |
| 216 | H | 51.1 | Low | 59.1 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -107.7 | 12 | -176.5 | -92.6 | 58.6 | 0 | 0 | 0 | 114.5 | Q213 | Q213-H216 PolarHBondContact O-N 3.4Š|
| 217 | S | 50.2 | Low | 57.7 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -117.3 | 77.4 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 218 | G | 50.6 | Low | 56.2 | Low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | 163.4 | 88.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 219 | L | 40.6 | Very low | 54.7 | Low | 176 Ų | 176 | 131.4 Ų | 131.4 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | -178.9 | 110.8 | 138.8 | -102.9 | 143.8 | 0 | 0 | 0 | 110 | ||||
| 220 | H | 43.8 | Very low | 52.9 | Low | 162 Ų | 162 | 131.2 Ų | 131.2 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | -119.9 | 116.8 | 164.9 | -162.8 | -60.5 | 0 | 0 | 0 | 107.5 | ||||
| 221 | P | 47.2 | Very low | 51.3 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -97.7 | 114.8 | 164 | 30.6 | -20.8 | 0 | 0 | 0 | 109 | G223 | P221-G223 PolarHBondContact O-N 2.95Š| ||
| 222 | T | 45.3 | Very low | 49.6 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 106.9 | 162.2 | 25.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 223 | G | 38.4 | Very low | 48 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 146.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P221 | P221-G223 PolarHBondContact O-N 2.95Š| ||
| 224 | L | 41.6 | Very low | 46.5 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -103.8 | 120.1 | -178.6 | -166 | 133.8 | 0 | 0 | 0 | 108.1 | ||||
| 225 | V | 40.8 | Very low | 45.6 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -147.7 | 127.5 | 160.6 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 226 | S | 43.1 | Very low | 44.8 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 100% | 1.294 | 85% | 0.845 | S | S | * | * | trans | 83.5 | 0 | 166.4 | -146.5 | 0 | 0 | 0 | 0 | 119.9 |
Retrieved 226 of 226 residues in 688.3 ms
(Link to these results)