| 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 | 94.7 | Very high | 96.1 | Very high | 149 Ų | 149 | 80 Ų | 80 | 65% | 0.648 | 42% | 0.416 | S | S | * | . | 0 | 127 | 0 | -172.6 | -174.7 | -179.9 | -157.2 | 0 | 108 | E3 E17 R18 F20 | K1-E3 HydrophobicContact CD-CG 4.39Å; K1-E3 VanDerWaalsContact CD-OE1 3.3Å; K1-E3 WeakPolarHBondContact CD-OE1 3.4Å; K1-E3 WeakPolarHBondContact CE-OE1 3.34Å; K1-E3 HydrophobicContact CG-CG 4.33Å; K1-E3 IonicContact NZ-OE1 2.77Å; K1-E3 PolarHBondContact NZ-OE1 2.92Å; K1-E17 WeakPolarHBondContact O-CA 3.43Å; K1-R18 PolarHBondContact N-O 3.5Å; K1-R18 PolarHBondContact O-N 3.5Å; K1-F20 HydrophobicContact CB-CD2 4.46Å; K1-F20 HydrophobicContact CB-CE2 3.9Å; K1-F20 HydrophobicContact CD-CE2 4.38Å | |||
| 2 | S | 96.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 85.6 Ų | 85.6 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.7 | -178.8 | -49.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | E | 98 | Very high | 96.3 | Very high | 27 Ų | 27 | 79.7 Ų | 79.7 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.1 | -173.5 | -58.2 | 173.9 | -176.7 | 0 | 0 | 109.6 | K1 H5 L16 R18 | K1-E3 HydrophobicContact CD-CG 4.39Å; K1-E3 VanDerWaalsContact CD-OE1 3.3Å; K1-E3 WeakPolarHBondContact CD-OE1 3.4Å; K1-E3 WeakPolarHBondContact CE-OE1 3.34Å; K1-E3 HydrophobicContact CG-CG 4.33Å; K1-E3 IonicContact NZ-OE1 2.77Å; K1-E3 PolarHBondContact NZ-OE1 2.92Å; E3-H5 IonicContact OE2-CE1 3.07Å; E3-H5 IonicContact OE2-NE2 2.73Å; E3-H5 PolarHBondContact OE2-NE2 3.48Å; E3-L16 HydrophobicContact CB-CB 4.33Å; E3-L16 PolarHBondContact N-O 3.2Å; E3-L16 PolarHBondContact O-N 3.3Å; E3-R18 IonicContact OE1-NE 3.71Å; E3-R18 IonicContact OE2-CZ 3.63Å; E3-R18 IonicContact OE2-NE 3.94Å; E3-R18 PolarHBondContact OE2-NE 2.97Å; E3-R18 IonicContact OE2-NH2 3.54Å |
| 4 | C | 98.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 79.2 Ų | 79.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.2 | 171.5 | -64 | 0 | 0 | 0 | 0 | 108 | F6 C68 | C4-F6 HydrophobicContact CB-CD2 4.31Å; C4-F6 HydrophobicContact CB-CE2 3.42Å; C4-F6 VanDerWaalsContact CB-CE2 3.42Å; C4-F6 HydrophobicContact CB-CZ 3.55Å; C4-C68 HydrophobicContact CB-CB 3.63Å; C4-C68 WeakPolarHBondContact CB-SG 3.49Å; C4-C68 WeakPolarHBondContact SG-CA 3.48Å; C4-C68 WeakPolarHBondContact SG-CB 3.16Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 3.14Å |
| 5 | H | 97.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.3 | 178.1 | -63.4 | -97.7 | 0 | 0 | 0 | 108.5 | E3 F7 V13 R14 | E3-H5 IonicContact OE2-CE1 3.07Å; E3-H5 IonicContact OE2-NE2 2.73Å; E3-H5 PolarHBondContact OE2-NE2 3.48Å; H5-F7 HydrophobicContact CB-CE2 3.88Å; H5-F7 HydrophobicContact CB-CZ 4.09Å; H5-V13 WeakPolarHBondContact O-CA 3.48Å; H5-R14 HydrophobicContact CB-CB 4.32Å; H5-R14 PolarHBondContact N-O 3.23Å; H5-R14 PolarHBondContact O-N 3.48Å |
| 6 | F | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128 | -174.1 | -63.4 | -83.1 | 0 | 0 | 0 | 109.9 | C4 G9 T10 V13 C68 Y72 | C4-F6 HydrophobicContact CB-CD2 4.31Å; C4-F6 HydrophobicContact CB-CE2 3.42Å; C4-F6 VanDerWaalsContact CB-CE2 3.42Å; C4-F6 HydrophobicContact CB-CZ 3.55Å; F6-G9 WeakPolarHBondContact CB-O 3.46Å; F6-T10 HydrophobicContact CD1-CG2 4.37Å; F6-V13 HydrophobicContact CD1-CG1 4.2Å; F6-V13 HydrophobicContact CD1-CG2 3.7Å; F6-V13 HydrophobicContact CE1-CG1 3.99Å; F6-V13 HydrophobicContact CE1-CG2 4.02Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.5Å; F6-Y72 HydrophobicContact CB-CE2 4.39Å; 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 4.1Å; F6-Y72 HydrophobicContact CD2-CD2 4Å; F6-Y72 HydrophobicContact CD2-CE2 4.5Å; F6-Y72 AromaticContact CE1-CD2 3.53Å; F6-Y72 HydrophobicContact CE1-CD2 3.53Å; F6-Y72 AromaticContact CE1-CG 3.81Å; F6-Y72 HydrophobicContact CE1-CG 3.81Å; F6-Y72 HydrophobicContact CE2-CD2 4.01Å; F6-Y72 AromaticContact CG-CD2 3.75Å; F6-Y72 HydrophobicContact CG-CD2 3.75Å; F6-Y72 HydrophobicContact CG-CE2 4.07Å; F6-Y72 AromaticContact CZ-CD2 3.79Å; F6-Y72 HydrophobicContact CZ-CD2 3.79Å; F6-Y72 HydrophobicContact CZ-CG 4.2Å |
| 7 | F | 96.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 45% | 0.447 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.9 | 178 | -55 | -85.9 | 0 | 0 | 0 | 109.1 | H5 R12 | H5-F7 HydrophobicContact CB-CE2 3.88Å; H5-F7 HydrophobicContact CB-CZ 4.09Å; F7-R12 HydrophobicContact CB-CB 4.22Å; F7-R12 HydrophobicContact CD2-CB 4.5Å; F7-R12 HydrophobicContact CD2-CG 4.21Å; F7-R12 PolarHBondContact N-O 2.96Å; F7-R12 PolarHBondContact O-N 3.01Å |
| 8 | N | 94.4 | Very high | 96.9 | Very high | 137 Ų | 137 | 66 Ų | 66 | 73% | 0.733 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 57.5 | -175 | -160.7 | 28.4 | 0 | 0 | 0 | 112 | T10 E11 | N8-T10 PolarHBondContact O-N 2.98Å; N8-E11 HydrophobicContact CB-CB 4.49Å; N8-E11 PolarHBondContact ND2-OE2 3.31Å |
| 9 | G | 92.3 | Very high | 96.9 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -123.3 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | F6 | F6-G9 WeakPolarHBondContact CB-O 3.46Š|
| 10 | T | 96.1 | Very high | 97 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 12.2 | -179 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | F6 N8 R69 Y72 | F6-T10 HydrophobicContact CD1-CG2 4.37Å; N8-T10 PolarHBondContact O-N 2.98Å; T10-R69 HydrophobicContact CG2-CG 4.33Å; T10-R69 VanDerWaalsContact O-CZ 3.24Å; T10-R69 PolarHBondContact O-NE 3.01Å; T10-R69 PolarHBondContact O-NH2 3.03Å; T10-Y72 HydrophobicContact CG2-CD1 3.28Å; T10-Y72 HydrophobicContact CG2-CD2 4.28Å; T10-Y72 HydrophobicContact CG2-CE1 3.62Å; T10-Y72 HydrophobicContact CG2-CG 3.66Å |
| 11 | E | 94.8 | Very high | 96.9 | Very high | 144 Ų | 144 | 68.7 Ų | 68.7 | 67% | 0.673 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -58 | 179.1 | -174.2 | -179.1 | 176.3 | 0 | 0 | 110.4 | N8 R69 | N8-E11 HydrophobicContact CB-CB 4.49Å; N8-E11 PolarHBondContact ND2-OE2 3.31Å; E11-R69 PolarHBondContact O-NH2 3.4Å |
| 12 | R | 97.1 | Very high | 96.9 | Very high | 147 Ų | 147 | 68.3 Ų | 68.3 | 56% | 0.555 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.9 | 171.7 | -178.4 | 179.9 | 177.8 | -176.3 | -0.9 | 109.8 | F7 D32 | F7-R12 HydrophobicContact CB-CB 4.22Å; F7-R12 HydrophobicContact CD2-CB 4.5Å; F7-R12 HydrophobicContact CD2-CG 4.21Å; F7-R12 PolarHBondContact N-O 2.96Å; F7-R12 PolarHBondContact O-N 3.01Å; R12-D32 IonicContact NH2-OD2 3.71Å; R12-D32 PolarHBondContact NH2-OD2 2.92Å |
| 13 | V | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.2 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | H5 F6 V64 C68 R69 | H5-V13 WeakPolarHBondContact O-CA 3.48Å; F6-V13 HydrophobicContact CD1-CG1 4.2Å; F6-V13 HydrophobicContact CD1-CG2 3.7Å; F6-V13 HydrophobicContact CE1-CG1 3.99Å; F6-V13 HydrophobicContact CE1-CG2 4.02Å; V13-V64 HydrophobicContact CB-CG1 4.24Å; V13-V64 HydrophobicContact CG1-CG1 4.38Å; V13-C68 HydrophobicContact CG1-CB 3.5Å; V13-R69 HydrophobicContact CG2-CG 4.07Å; V13-R69 VanDerWaalsContact CG2-CZ 3.41Å |
| 14 | R | 98.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 28% | 0.275 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.4 | 174.8 | 179.2 | -179.2 | 177.2 | -163.2 | 3.8 | 109.5 | H5 D30 S31 | H5-R14 HydrophobicContact CB-CB 4.32Å; H5-R14 PolarHBondContact N-O 3.23Å; H5-R14 PolarHBondContact O-N 3.48Å; R14-D30 IonicContact CZ-OD1 3.22Å; R14-D30 IonicContact CZ-OD2 2.87Å; R14-D30 IonicContact NE-OD1 2.88Å; R14-D30 PolarHBondContact NE-OD1 3.03Å; R14-D30 IonicContact NE-OD2 3.54Å; R14-D30 PolarHBondContact NE-OD2 2.96Å; R14-D30 IonicContact NH2-OD1 3.84Å; R14-D30 IonicContact NH2-OD2 3.04Å; R14-D30 PolarHBondContact NH2-OD2 3.42Å; R14-S31 WeakPolarHBondContact CA-OG 3.42Å |
| 15 | F | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.9 | 171.7 | 175.5 | -107.9 | 0 | 0 | 0 | 109.6 | E17 F29 S31 K60 Q63 V64 Y67 C68 | F15-E17 HydrophobicContact CE1-CB 3.94Å; F15-E17 HydrophobicContact CZ-CB 3.95Å; F15-F29 AromaticContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CE1 4.05Å; F15-F29 HydrophobicContact CE1-CD1 4.13Å; F15-S31 PolarHBondContact N-OG 3.14Å; F15-S31 WeakPolarHBondContact O-CB 3.15Å; F15-S31 PolarHBondContact O-N 3.47Å; F15-S31 PolarHBondContact O-OG 3.45Å; F15-K60 HydrophobicContact CE1-CD 4.49Å; F15-Q63 HydrophobicContact CD1-CB 3.58Å; F15-Q63 HydrophobicContact CD1-CG 4.23Å; F15-Q63 HydrophobicContact CD2-CB 4.03Å; F15-Q63 HydrophobicContact CE1-CB 3.61Å; F15-Q63 HydrophobicContact CE1-CG 3.77Å; F15-Q63 HydrophobicContact CE2-CB 4.03Å; F15-Q63 HydrophobicContact CG-CB 3.79Å; F15-Q63 HydrophobicContact CZ-CB 3.83Å; F15-Q63 HydrophobicContact CZ-CG 3.92Å; F15-V64 HydrophobicContact CB-CG2 3.76Å; F15-Y67 HydrophobicContact CD2-CD1 4.42Å; F15-Y67 HydrophobicContact CE2-CD1 4.11Å; F15-Y67 HydrophobicContact CE2-CE1 4.48Å; F15-C68 VanDerWaalsContact CD2-SG 3.6Å |
| 16 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 120.9 | -178.9 | -168.3 | 71.1 | 0 | 0 | 0 | 109.3 | E3 R18 F29 D30 | E3-L16 HydrophobicContact CB-CB 4.33Å; E3-L16 PolarHBondContact N-O 3.2Å; E3-L16 PolarHBondContact O-N 3.3Å; L16-R18 HydrophobicContact CD2-CG 4.23Å; L16-R18 VanDerWaalsContact CD2-CZ 3.43Å; L16-R18 HydrophobicContact CG-CG 4.02Å; L16-F29 WeakPolarHBondContact CA-O 3.46Å; L16-F29 WeakPolarHBondContact CD1-O 3.31Å; L16-D30 HydrophobicContact CD1-CB 3.77Å |
| 17 | E | 98.3 | Very high | 96.9 | Very high | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.7 | 175.8 | -168.4 | 176.9 | -117.3 | 0 | 0 | 109.2 | K1 F15 Y19 R28 F29 Y36 K60 | K1-E17 WeakPolarHBondContact O-CA 3.43Å; F15-E17 HydrophobicContact CE1-CB 3.94Å; F15-E17 HydrophobicContact CZ-CB 3.95Å; E17-Y19 HydrophobicContact CB-CE2 4.47Å; E17-Y19 HydrophobicContact CG-CE2 3.65Å; E17-Y19 PolarHBondContact OE2-OH 3.28Å; E17-R28 CarbonylContact O-C 3.59Å; E17-R28 WeakPolarHBondContact O-CA 3.43Å; E17-F29 HydrophobicContact CB-CB 4.28Å; E17-F29 PolarHBondContact N-O 2.88Å; E17-F29 PolarHBondContact O-N 3.42Å; E17-Y36 PolarHBondContact OE2-OH 3.48Å; E17-K60 IonicContact OE1-NZ 2.65Å; E17-K60 PolarHBondContact OE1-NZ 3.39Å; E17-K60 WeakPolarHBondContact OE2-CE 3.35Å; E17-K60 IonicContact OE2-NZ 2.8Å; E17-K60 PolarHBondContact OE2-NZ 3.35Å |
| 18 | R | 98.3 | Very high | 97 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 22% | 0.219 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.8 | -174.2 | -56.2 | -179.6 | -171.1 | -130.3 | 8.2 | 110.8 | K1 E3 L16 F20 E25 R28 | K1-R18 PolarHBondContact N-O 3.5Å; K1-R18 PolarHBondContact O-N 3.5Å; E3-R18 IonicContact OE1-NE 3.71Å; E3-R18 IonicContact OE2-CZ 3.63Å; E3-R18 IonicContact OE2-NE 3.94Å; E3-R18 PolarHBondContact OE2-NE 2.97Å; E3-R18 IonicContact OE2-NH2 3.54Å; L16-R18 HydrophobicContact CD2-CG 4.23Å; L16-R18 VanDerWaalsContact CD2-CZ 3.43Å; L16-R18 HydrophobicContact CG-CG 4.02Å; R18-F20 HydrophobicContact CB-CD2 4.31Å; R18-F20 HydrophobicContact CB-CE2 3.43Å; R18-F20 VanDerWaalsContact CB-CE2 3.43Å; R18-F20 HydrophobicContact CB-CZ 3.79Å; R18-E25 HydrophobicContact CB-CG 4.26Å; R18-E25 WeakPolarHBondContact CG-OE1 3.18Å; R18-E25 IonicContact CZ-OE2 2.87Å; R18-E25 IonicContact NH1-OE1 2.74Å; R18-E25 IonicContact NH1-OE2 2.64Å; R18-E25 PolarHBondContact NH1-OE2 3.49Å; R18-R28 HydrophobicContact CG-CB 4.39Å |
| 19 | Y | 98 | Very high | 97.2 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.5 | 177.2 | -63.5 | -99.7 | 0 | 0 | 0 | 109.6 | E17 E25 F26 V27 Y36 W50 | E17-Y19 HydrophobicContact CB-CE2 4.47Å; E17-Y19 HydrophobicContact CG-CE2 3.65Å; E17-Y19 PolarHBondContact OE2-OH 3.28Å; Y19-E25 WeakPolarHBondContact O-CA 3.21Å; Y19-F26 WeakPolarHBondContact O-CD1 3.4Å; Y19-F26 PolarHBondContact O-N 3.45Å; Y19-V27 HydrophobicContact CD2-CG1 3.91Å; Y19-V27 HydrophobicContact CG-CG1 4Å; Y19-V27 PolarHBondContact N-O 3.38Å; Y19-Y36 AromaticContact CE2-CE1 3.99Å; Y19-Y36 HydrophobicContact CE2-CE1 3.99Å; Y19-W50 AromaticContact CD1-CH2 3.83Å; Y19-W50 HydrophobicContact CD1-CH2 3.83Å; Y19-W50 HydrophobicContact CD1-CZ3 4.37Å; Y19-W50 HydrophobicContact CD2-CH2 4.02Å; Y19-W50 AromaticContact CD2-CZ3 3.71Å; Y19-W50 HydrophobicContact CD2-CZ3 3.71Å; Y19-W50 AromaticContact CE1-CH2 3.56Å; Y19-W50 HydrophobicContact CE1-CH2 3.56Å; Y19-W50 HydrophobicContact CE1-CZ3 4.11Å; Y19-W50 AromaticContact CE2-CH2 3.8Å; Y19-W50 HydrophobicContact CE2-CH2 3.8Å; Y19-W50 AromaticContact CE2-CZ3 3.44Å; Y19-W50 HydrophobicContact CE2-CZ3 3.44Å; Y19-W50 VanDerWaalsContact CE2-CZ3 3.44Å; Y19-W50 HydrophobicContact CG-CH2 4.04Å; Y19-W50 HydrophobicContact CG-CZ3 4.18Å; Y19-W50 AromaticContact CZ-CH2 3.53Å; Y19-W50 AromaticContact CZ-CZ3 3.64Å |
| 20 | F | 97.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 37% | 0.373 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.1 | -173.3 | -61.3 | -95.7 | 0 | 0 | 0 | 110.1 | K1 R18 E24 E25 | K1-F20 HydrophobicContact CB-CD2 4.46Å; K1-F20 HydrophobicContact CB-CE2 3.9Å; K1-F20 HydrophobicContact CD-CE2 4.38Å; R18-F20 HydrophobicContact CB-CD2 4.31Å; R18-F20 HydrophobicContact CB-CE2 3.43Å; R18-F20 VanDerWaalsContact CB-CE2 3.43Å; R18-F20 HydrophobicContact CB-CZ 3.79Å; F20-E24 CarbonylContact C-O 3.52Å; F20-E24 VanDerWaalsContact CA-O 3.28Å; F20-E24 WeakPolarHBondContact CA-O 3.41Å; F20-E25 HydrophobicContact CD1-CB 3.7Å; F20-E25 HydrophobicContact CD1-CG 4.15Å; F20-E25 HydrophobicContact CE1-CB 3.49Å; F20-E25 VanDerWaalsContact CE1-CB 3.49Å; F20-E25 HydrophobicContact CE1-CG 3.79Å; F20-E25 HydrophobicContact CZ-CB 4.22Å; F20-E25 HydrophobicContact CZ-CG 4.01Å |
| 21 | H | 96.2 | Very high | 97.6 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.8 | 164.2 | -175.9 | 73.8 | 0 | 0 | 0 | 106.7 | Q23 E24 F26 L42 | H21-Q23 PolarHBondContact O-N 3.27Å; H21-Q23 VanDerWaalsContact O-N 3.17Å; H21-E24 PolarHBondContact N-O 3.47Å; H21-E24 PolarHBondContact O-N 3.47Å; H21-F26 HydrophobicContact CB-CD1 3.99Å; H21-F26 HydrophobicContact CB-CE1 4.3Å; H21-L42 HydrophobicContact CB-CD2 4.03Å |
| 22 | N | 94.2 | Very high | 97.7 | Very high | 142 Ų | 142 | 59.9 Ų | 59.9 | 76% | 0.759 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -117 | -163.8 | -53.2 | -46.8 | 0 | 0 | 0 | 110.6 | ||
| 23 | Q | 95.2 | Very high | 97.8 | Very high | 194 Ų | 194 | 56.6 Ų | 56.6 | 91% | 0.907 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 4 | 176.9 | -64.7 | -179.3 | -17.5 | 0 | 0 | 112.7 | H21 | H21-Q23 PolarHBondContact O-N 3.27Å; H21-Q23 VanDerWaalsContact O-N 3.17Å |
| 24 | E | 97.3 | Very high | 97.7 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120 | -178.8 | -171.8 | 176.3 | -159.6 | 0 | 0 | 110.1 | F20 H21 F26 T40 | F20-E24 CarbonylContact C-O 3.52Å; F20-E24 VanDerWaalsContact CA-O 3.28Å; F20-E24 WeakPolarHBondContact CA-O 3.41Å; H21-E24 PolarHBondContact N-O 3.47Å; H21-E24 PolarHBondContact O-N 3.47Å; E24-F26 PolarHBondContact O-N 3.12Å; E24-T40 HydrophobicContact CG-CG2 3.91Å; E24-T40 VanDerWaalsContact OE1-CG2 3.27Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.38Å |
| 25 | E | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.6 | 172.2 | -165.2 | -177 | 155.7 | 0 | 0 | 109.1 | R18 Y19 F20 R28 V39 T40 | R18-E25 HydrophobicContact CB-CG 4.26Å; R18-E25 WeakPolarHBondContact CG-OE1 3.18Å; R18-E25 IonicContact CZ-OE2 2.87Å; R18-E25 IonicContact NH1-OE1 2.74Å; R18-E25 IonicContact NH1-OE2 2.64Å; R18-E25 PolarHBondContact NH1-OE2 3.49Å; Y19-E25 WeakPolarHBondContact O-CA 3.21Å; F20-E25 HydrophobicContact CD1-CB 3.7Å; F20-E25 HydrophobicContact CD1-CG 4.15Å; F20-E25 HydrophobicContact CE1-CB 3.49Å; F20-E25 VanDerWaalsContact CE1-CB 3.49Å; F20-E25 HydrophobicContact CE1-CG 3.79Å; F20-E25 HydrophobicContact CZ-CB 4.22Å; F20-E25 HydrophobicContact CZ-CG 4.01Å; E25-R28 WeakPolarHBondContact OE1-CB 3.5Å; E25-R28 IonicContact OE1-CZ 3.96Å; E25-R28 IonicContact OE1-NE 3.47Å; E25-R28 PolarHBondContact OE1-NE 2.88Å; E25-R28 IonicContact OE1-NH2 3.94Å; E25-R28 PolarHBondContact OE1-NH2 3.45Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 3.67Å; E25-R28 IonicContact OE2-NH2 3.68Å; E25-R28 PolarHBondContact OE2-NH2 2.96Å; E25-V39 HydrophobicContact CB-CG1 4.42Å; E25-V39 HydrophobicContact CG-CG2 4.21Å; E25-V39 WeakPolarHBondContact O-CB 3.43Å; E25-V39 WeakPolarHBondContact O-CG1 3.45Å; E25-T40 WeakPolarHBondContact O-CG2 3.48Å |
| 26 | F | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -30.2 | -175.6 | 68.8 | -89 | 0 | 0 | 0 | 113.6 | Y19 H21 E24 V39 T40 L42 G43 V46 | Y19-F26 WeakPolarHBondContact O-CD1 3.4Å; Y19-F26 PolarHBondContact O-N 3.45Å; H21-F26 HydrophobicContact CB-CD1 3.99Å; H21-F26 HydrophobicContact CB-CE1 4.3Å; E24-F26 PolarHBondContact O-N 3.12Å; F26-V39 PolarHBondContact O-N 3.02Å; F26-T40 WeakPolarHBondContact CA-OG1 3.28Å; F26-T40 WeakPolarHBondContact CB-OG1 3.32Å; F26-T40 PolarHBondContact O-N 2.95Å; F26-L42 HydrophobicContact CB-CB 4.23Å; F26-L42 HydrophobicContact CB-CD2 4.14Å; F26-L42 HydrophobicContact CB-CG 4.38Å; F26-L42 HydrophobicContact CD2-CG 4.49Å; F26-L42 HydrophobicContact CG-CD2 4.22Å; F26-G43 WeakPolarHBondContact O-CA 3.3Å; F26-V46 HydrophobicContact CE2-CG1 4.47Å; F26-V46 HydrophobicContact CE2-CG2 4.19Å |
| 27 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 146.9 | 175.8 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | Y19 Y36 R37 V46 A47 W50 | Y19-V27 HydrophobicContact CD2-CG1 3.91Å; Y19-V27 HydrophobicContact CG-CG1 4Å; Y19-V27 PolarHBondContact N-O 3.38Å; V27-Y36 HydrophobicContact CG2-CD1 4.23Å; V27-R37 WeakPolarHBondContact CA-O 3.49Å; V27-V46 HydrophobicContact CG1-CG1 4.04Å; V27-A47 HydrophobicContact CG2-CB 3.97Å; V27-W50 HydrophobicContact CG1-CH2 4.4Å; V27-W50 HydrophobicContact CG1-CZ3 3.89Å |
| 28 | R | 98.6 | Very high | 97.7 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.9 | 174.7 | 65.6 | 175.5 | 63.7 | 159.1 | 3.8 | 112.8 | E17 R18 E25 Y36 R37 V39 | E17-R28 CarbonylContact O-C 3.59Å; E17-R28 WeakPolarHBondContact O-CA 3.43Å; R18-R28 HydrophobicContact CG-CB 4.39Å; E25-R28 WeakPolarHBondContact OE1-CB 3.5Å; E25-R28 IonicContact OE1-CZ 3.96Å; E25-R28 IonicContact OE1-NE 3.47Å; E25-R28 PolarHBondContact OE1-NE 2.88Å; E25-R28 IonicContact OE1-NH2 3.94Å; E25-R28 PolarHBondContact OE1-NH2 3.45Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 3.67Å; E25-R28 IonicContact OE2-NH2 3.68Å; E25-R28 PolarHBondContact OE2-NH2 2.96Å; R28-Y36 CarbonylContact O-C 3.46Å; R28-Y36 WeakPolarHBondContact O-CA 3.37Å; R28-R37 PolarHBondContact N-O 3.08Å; R28-R37 PolarHBondContact O-N 3.08Å; R28-V39 HydrophobicContact CB-CG2 4.45Å; R28-V39 HydrophobicContact CG-CG2 3.97Å |
| 29 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.7 | 158.6 | 178.3 | -89.8 | 0 | 0 | 0 | 109 | F15 L16 E17 Y36 L57 K60 R61 | F15-F29 AromaticContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CE1 4.05Å; F15-F29 HydrophobicContact CE1-CD1 4.13Å; L16-F29 WeakPolarHBondContact CA-O 3.46Å; L16-F29 WeakPolarHBondContact CD1-O 3.31Å; E17-F29 HydrophobicContact CB-CB 4.28Å; E17-F29 PolarHBondContact N-O 2.88Å; E17-F29 PolarHBondContact O-N 3.42Å; F29-Y36 HydrophobicContact CB-CD1 3.61Å; F29-Y36 HydrophobicContact CB-CE1 3.49Å; F29-Y36 VanDerWaalsContact CB-CE1 3.49Å; F29-Y36 HydrophobicContact CB-CE2 4.43Å; F29-Y36 HydrophobicContact CB-CG 4.17Å; F29-Y36 HydrophobicContact CD2-CD2 4.09Å; F29-Y36 HydrophobicContact CD2-CE2 4.06Å; F29-Y36 HydrophobicContact CD2-CG 4.38Å; F29-Y36 HydrophobicContact CG-CE1 4.45Å; F29-L57 HydrophobicContact CD2-CD2 4.45Å; F29-L57 HydrophobicContact CE2-CD2 4.17Å; F29-K60 HydrophobicContact CD1-CB 4.09Å; F29-K60 HydrophobicContact CD2-CB 3.91Å; F29-K60 HydrophobicContact CE1-CB 3.86Å; F29-K60 WeakPolarHBondContact CE1-O 3.44Å; F29-K60 HydrophobicContact CE2-CB 3.66Å; F29-K60 HydrophobicContact CG-CB 4.12Å; F29-K60 HydrophobicContact CZ-CB 3.64Å; F29-R61 HydrophobicContact CE2-CG 4.46Å; F29-R61 HydrophobicContact CZ-CG 3.92Å |
| 30 | D | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.6 | 176.7 | -172.3 | -12.3 | 0 | 0 | 0 | 109.4 | R14 L16 D32 V33 G34 | R14-D30 IonicContact CZ-OD1 3.22Å; R14-D30 IonicContact CZ-OD2 2.87Å; R14-D30 IonicContact NE-OD1 2.88Å; R14-D30 PolarHBondContact NE-OD1 3.03Å; R14-D30 IonicContact NE-OD2 3.54Å; R14-D30 PolarHBondContact NE-OD2 2.96Å; R14-D30 IonicContact NH2-OD1 3.84Å; R14-D30 IonicContact NH2-OD2 3.04Å; R14-D30 PolarHBondContact NH2-OD2 3.42Å; L16-D30 HydrophobicContact CD1-CB 3.77Å; D30-D32 PolarHBondContact O-N 3.36Å; D30-D32 PolarHBondContact OD1-N 2.87Å; D30-D32 VanDerWaalsContact OD1-N 3.14Å; D30-V33 HydrophobicContact CB-CB 4.25Å; D30-V33 HydrophobicContact CB-CG2 3.97Å; D30-V33 CarbonylContact O-C 3.59Å; D30-V33 PolarHBondContact O-N 3.07Å; D30-G34 PolarHBondContact O-N 3.04Å |
| 31 | S | 98.1 | Very high | 97.6 | Very high | 26 Ų | 26 | 64.6 Ų | 64.6 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.6 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | R14 F15 V33 V64 | R14-S31 WeakPolarHBondContact CA-OG 3.42Å; F15-S31 PolarHBondContact N-OG 3.14Å; F15-S31 WeakPolarHBondContact O-CB 3.15Å; F15-S31 PolarHBondContact O-N 3.47Å; F15-S31 PolarHBondContact O-OG 3.45Å; S31-V33 PolarHBondContact O-N 3.23Å; S31-V64 VanDerWaalsContact CB-CG2 3.41Å |
| 32 | D | 97.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.6 | 177.5 | -75 | 13.4 | 0 | 0 | 0 | 111.3 | R12 D30 | R12-D32 IonicContact NH2-OD2 3.71Å; R12-D32 PolarHBondContact NH2-OD2 2.92Å; D30-D32 PolarHBondContact O-N 3.36Å; D30-D32 PolarHBondContact OD1-N 2.87Å; D30-D32 VanDerWaalsContact OD1-N 3.14Å |
| 33 | V | 97.9 | Very high | 97.8 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 47% | 0.473 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -35.8 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | D30 S31 E35 | D30-V33 HydrophobicContact CB-CB 4.25Å; D30-V33 HydrophobicContact CB-CG2 3.97Å; D30-V33 CarbonylContact O-C 3.59Å; D30-V33 PolarHBondContact O-N 3.07Å; S31-V33 PolarHBondContact O-N 3.23Å; V33-E35 HydrophobicContact CG1-CG 3.96Å |
| 34 | G | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 54 Ų | 54 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 13.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D30 R61 | D30-G34 PolarHBondContact O-N 3.04Å; G34-R61 VanDerWaalsContact O-CZ 3.3Å; G34-R61 PolarHBondContact O-NE 3.39Å; G34-R61 PolarHBondContact O-NH2 3.44Å |
| 35 | E | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 170.7 | 179.1 | 63 | 179.5 | -166.6 | 0 | 0 | 112.2 | V33 R37 L57 | V33-E35 HydrophobicContact CG1-CG 3.96Å; E35-R37 IonicContact OE1-CZ 2.8Å; E35-R37 IonicContact OE1-NE 3.19Å; E35-R37 PolarHBondContact OE1-NE 3.47Å; E35-R37 IonicContact OE1-NH2 2.84Å; E35-R37 PolarHBondContact OE1-NH2 3.31Å; E35-L57 HydrophobicContact CB-CD2 4.15Å |
| 36 | Y | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 137.2 | 173.6 | -67.6 | -89.6 | 0 | 0 | 0 | 111.4 | E17 Y19 V27 R28 F29 W50 N51 L56 L57 K60 | E17-Y36 PolarHBondContact OE2-OH 3.48Å; Y19-Y36 AromaticContact CE2-CE1 3.99Å; Y19-Y36 HydrophobicContact CE2-CE1 3.99Å; V27-Y36 HydrophobicContact CG2-CD1 4.23Å; R28-Y36 CarbonylContact O-C 3.46Å; R28-Y36 WeakPolarHBondContact O-CA 3.37Å; F29-Y36 HydrophobicContact CB-CD1 3.61Å; F29-Y36 HydrophobicContact CB-CE1 3.49Å; F29-Y36 VanDerWaalsContact CB-CE1 3.49Å; F29-Y36 HydrophobicContact CB-CE2 4.43Å; F29-Y36 HydrophobicContact CB-CG 4.17Å; F29-Y36 HydrophobicContact CD2-CD2 4.09Å; F29-Y36 HydrophobicContact CD2-CE2 4.06Å; F29-Y36 HydrophobicContact CD2-CG 4.38Å; F29-Y36 HydrophobicContact CG-CE1 4.45Å; Y36-W50 AromaticContact CD1-CE3 3.41Å; Y36-W50 HydrophobicContact CD1-CE3 3.41Å; Y36-W50 VanDerWaalsContact CD1-CE3 3.41Å; Y36-W50 AromaticContact CD1-CZ3 3.85Å; Y36-W50 HydrophobicContact CD1-CZ3 3.85Å; Y36-W50 HydrophobicContact CD2-CB 3.7Å; Y36-W50 HydrophobicContact CD2-CE3 4.19Å; Y36-W50 HydrophobicContact CE1-CD2 4.39Å; Y36-W50 AromaticContact CE1-CE3 3.26Å; Y36-W50 HydrophobicContact CE1-CE3 3.26Å; Y36-W50 AromaticContact CE1-CZ3 3.52Å; Y36-W50 HydrophobicContact CE1-CZ3 3.52Å; Y36-W50 HydrophobicContact CE2-CB 3.91Å; Y36-W50 HydrophobicContact CE2-CE3 4.09Å; Y36-W50 HydrophobicContact CG-CB 4.19Å; Y36-W50 AromaticContact CG-CE3 3.87Å; Y36-W50 HydrophobicContact CG-CE3 3.87Å; Y36-W50 AromaticContact CZ-CE3 3.62Å; Y36-N51 WeakPolarHBondContact CB-OD1 3.33Å; Y36-N51 PolarHBondContact N-OD1 2.97Å; Y36-N51 PolarHBondContact O-ND2 3.28Å; Y36-L56 HydrophobicContact CE2-CD2 4.08Å; Y36-L56 HydrophobicContact CE2-CG 4.25Å; Y36-L57 HydrophobicContact CD2-CD2 4Å; Y36-L57 HydrophobicContact CE2-CD2 4.29Å; Y36-K60 HydrophobicContact CE2-CG 4.35Å; Y36-K60 WeakPolarHBondContact OH-CD 3.46Å; Y36-K60 VanDerWaalsContact OH-CE 3.24Å; Y36-K60 WeakPolarHBondContact OH-CE 3.12Å; Y36-K60 WeakPolarHBondContact OH-CG 3.4Å |
| 37 | R | 98.5 | Very high | 98 | Very high | 142 Ų | 142 | 52.1 Ų | 52.1 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.3 | 173.6 | -70.3 | -68.6 | 179.9 | 151.5 | -3 | 109.6 | V27 R28 E35 V39 | V27-R37 WeakPolarHBondContact CA-O 3.49Å; R28-R37 PolarHBondContact N-O 3.08Å; R28-R37 PolarHBondContact O-N 3.08Å; E35-R37 IonicContact OE1-CZ 2.8Å; E35-R37 IonicContact OE1-NE 3.19Å; E35-R37 PolarHBondContact OE1-NE 3.47Å; E35-R37 IonicContact OE1-NH2 2.84Å; E35-R37 PolarHBondContact OE1-NH2 3.31Å; R37-V39 PolarHBondContact O-N 3.48Å |
| 38 | A | 98.1 | Very high | 98 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 127.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G43 R44 A47 | A38-G43 VanDerWaalsContact CB-C 3.49Å; A38-R44 HydrophobicContact CB-CB 4.34Å; A38-A47 HydrophobicContact CB-CB 4.2Å |
| 39 | V | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -90.5 | -30.8 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | E25 F26 R28 R37 | E25-V39 HydrophobicContact CB-CG1 4.42Å; E25-V39 HydrophobicContact CG-CG2 4.21Å; E25-V39 WeakPolarHBondContact O-CB 3.43Å; E25-V39 WeakPolarHBondContact O-CG1 3.45Å; F26-V39 PolarHBondContact O-N 3.02Å; R28-V39 HydrophobicContact CB-CG2 4.45Å; R28-V39 HydrophobicContact CG-CG2 3.97Å; R37-V39 PolarHBondContact O-N 3.48Å |
| 40 | T | 97.8 | Very high | 97.9 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -134.3 | 168.4 | 177.3 | 70 | 0 | 0 | 0 | 0 | 110.2 | E24 E25 F26 L42 G43 | E24-T40 HydrophobicContact CG-CG2 3.91Å; E24-T40 VanDerWaalsContact OE1-CG2 3.27Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.38Å; E25-T40 WeakPolarHBondContact O-CG2 3.48Å; F26-T40 WeakPolarHBondContact CA-OG1 3.28Å; F26-T40 WeakPolarHBondContact CB-OG1 3.32Å; F26-T40 PolarHBondContact O-N 2.95Å; T40-L42 PolarHBondContact O-N 3.37Å; T40-G43 PolarHBondContact O-N 3.16Å |
| 41 | E | 96.5 | Very high | 97.9 | Very high | 130 Ų | 130 | 61.2 Ų | 61.2 | 61% | 0.607 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -58.4 | -33 | 179.7 | -69.9 | -58.5 | 151.3 | 0 | 0 | 113.1 | G43 R44 | E41-G43 PolarHBondContact O-N 3.46Å; E41-R44 WeakPolarHBondContact O-CB 3.35Å; E41-R44 PolarHBondContact O-N 3.11Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.75Å; E41-R44 IonicContact OE1-NH2 3.98Å; E41-R44 PolarHBondContact OE1-NH2 3.17Å; E41-R44 IonicContact OE2-CZ 2.93Å; E41-R44 IonicContact OE2-NE 3.94Å; E41-R44 PolarHBondContact OE2-NE 2.75Å; E41-R44 IonicContact OE2-NH2 2.82Å; E41-R44 PolarHBondContact OE2-NH2 3.14Å |
| 42 | L | 96.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -58.1 | -33.8 | 175.8 | -178.4 | 66.3 | 0 | 0 | 0 | 112.2 | H21 F26 T40 | H21-L42 HydrophobicContact CB-CD2 4.03Å; F26-L42 HydrophobicContact CB-CB 4.23Å; F26-L42 HydrophobicContact CB-CD2 4.14Å; F26-L42 HydrophobicContact CB-CG 4.38Å; F26-L42 HydrophobicContact CD2-CG 4.49Å; F26-L42 HydrophobicContact CG-CD2 4.22Å; T40-L42 PolarHBondContact O-N 3.37Å |
| 43 | G | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -85.5 | -9.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F26 A38 T40 E41 V46 A47 | F26-G43 WeakPolarHBondContact O-CA 3.3Å; A38-G43 VanDerWaalsContact CB-C 3.49Å; T40-G43 PolarHBondContact O-N 3.16Å; E41-G43 PolarHBondContact O-N 3.46Å; G43-V46 PolarHBondContact O-N 3.02Å; G43-A47 WeakPolarHBondContact O-CB 3.42Å; G43-A47 PolarHBondContact O-N 3.06Å |
| 44 | R | 98.1 | Very high | 97.9 | Very high | 124 Ų | 124 | 67.1 Ų | 67.1 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.6 | -55.5 | 179.2 | -171.1 | -170.6 | -64.9 | -124.7 | 0.4 | 112.8 | A38 E41 V46 A47 E48 | A38-R44 HydrophobicContact CB-CB 4.34Å; E41-R44 WeakPolarHBondContact O-CB 3.35Å; E41-R44 PolarHBondContact O-N 3.11Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.75Å; E41-R44 IonicContact OE1-NH2 3.98Å; E41-R44 PolarHBondContact OE1-NH2 3.17Å; E41-R44 IonicContact OE2-CZ 2.93Å; E41-R44 IonicContact OE2-NE 3.94Å; E41-R44 PolarHBondContact OE2-NE 2.75Å; E41-R44 IonicContact OE2-NH2 2.82Å; E41-R44 PolarHBondContact OE2-NH2 3.14Å; R44-V46 PolarHBondContact O-N 3.36Å; R44-A47 PolarHBondContact O-N 2.99Å; R44-E48 WeakPolarHBondContact O-CG 3.48Å; R44-E48 PolarHBondContact O-N 3.01Å |
| 45 | P | 98.1 | Very high | 97.9 | Very high | 80 Ų | 80 | 73 Ų | 73 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 179.2 | 25.4 | -35.5 | 0 | 0 | 0 | 112.5 | S49 | P45-S49 VanDerWaalsContact O-CB 3.26Å; P45-S49 WeakPolarHBondContact O-CB 3.25Å; P45-S49 PolarHBondContact O-N 3.18Å |
| 46 | V | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 72.1 Ų | 72.1 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.6 | -47.6 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | F26 V27 G43 R44 E48 S49 W50 | F26-V46 HydrophobicContact CE2-CG1 4.47Å; F26-V46 HydrophobicContact CE2-CG2 4.19Å; V27-V46 HydrophobicContact CG1-CG1 4.04Å; G43-V46 PolarHBondContact O-N 3.02Å; R44-V46 PolarHBondContact O-N 3.36Å; V46-E48 PolarHBondContact O-N 3.02Å; V46-S49 PolarHBondContact O-N 3.04Å; V46-W50 HydrophobicContact CG1-CD2 3.62Å; V46-W50 VanDerWaalsContact CG1-CE2 3.49Å; V46-W50 HydrophobicContact CG1-CE3 3.76Å; V46-W50 HydrophobicContact CG1-CG 4.31Å; V46-W50 HydrophobicContact CG1-CH2 3.75Å; V46-W50 HydrophobicContact CG1-CZ2 3.58Å; V46-W50 HydrophobicContact CG1-CZ3 3.83Å; V46-W50 WeakPolarHBondContact O-CB 3.36Å; V46-W50 PolarHBondContact O-N 3.31Å |
| 47 | A | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V27 A38 G43 R44 W50 N51 | V27-A47 HydrophobicContact CG2-CB 3.97Å; A38-A47 HydrophobicContact CB-CB 4.2Å; G43-A47 WeakPolarHBondContact O-CB 3.42Å; G43-A47 PolarHBondContact O-N 3.06Å; R44-A47 PolarHBondContact O-N 2.99Å; A47-W50 PolarHBondContact O-N 3.45Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 PolarHBondContact O-N 2.94Å; A47-N51 PolarHBondContact O-ND2 3.34Å |
| 48 | E | 97.9 | Very high | 97.8 | Very high | 126 Ų | 126 | 71.5 Ų | 71.5 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 176.1 | -72.3 | 173.1 | -170 | 0 | 0 | 111.8 | R44 V46 W50 S52 | R44-E48 WeakPolarHBondContact O-CG 3.48Å; R44-E48 PolarHBondContact O-N 3.01Å; V46-E48 PolarHBondContact O-N 3.02Å; E48-W50 PolarHBondContact O-N 2.95Å; E48-S52 PolarHBondContact O-N 3.48Å |
| 49 | S | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 75 Ų | 75 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 179 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | P45 V46 S52 Q53 | P45-S49 VanDerWaalsContact O-CB 3.26Å; P45-S49 WeakPolarHBondContact O-CB 3.25Å; P45-S49 PolarHBondContact O-N 3.18Å; V46-S49 PolarHBondContact O-N 3.04Å; S49-S52 PolarHBondContact O-OG 3.36Å; S49-Q53 PolarHBondContact O-NE2 3.3Å |
| 50 | W | 98.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.4 | -33.7 | -179.9 | -69.5 | -3.4 | 0 | 0 | 0 | 112.4 | Y19 V27 Y36 V46 A47 E48 S52 Q53 L56 | Y19-W50 AromaticContact CD1-CH2 3.83Å; Y19-W50 HydrophobicContact CD1-CH2 3.83Å; Y19-W50 HydrophobicContact CD1-CZ3 4.37Å; Y19-W50 HydrophobicContact CD2-CH2 4.02Å; Y19-W50 AromaticContact CD2-CZ3 3.71Å; Y19-W50 HydrophobicContact CD2-CZ3 3.71Å; Y19-W50 AromaticContact CE1-CH2 3.56Å; Y19-W50 HydrophobicContact CE1-CH2 3.56Å; Y19-W50 HydrophobicContact CE1-CZ3 4.11Å; Y19-W50 AromaticContact CE2-CH2 3.8Å; Y19-W50 HydrophobicContact CE2-CH2 3.8Å; Y19-W50 AromaticContact CE2-CZ3 3.44Å; Y19-W50 HydrophobicContact CE2-CZ3 3.44Å; Y19-W50 VanDerWaalsContact CE2-CZ3 3.44Å; Y19-W50 HydrophobicContact CG-CH2 4.04Å; Y19-W50 HydrophobicContact CG-CZ3 4.18Å; Y19-W50 AromaticContact CZ-CH2 3.53Å; Y19-W50 AromaticContact CZ-CZ3 3.64Å; V27-W50 HydrophobicContact CG1-CH2 4.4Å; V27-W50 HydrophobicContact CG1-CZ3 3.89Å; Y36-W50 AromaticContact CD1-CE3 3.41Å; Y36-W50 HydrophobicContact CD1-CE3 3.41Å; Y36-W50 VanDerWaalsContact CD1-CE3 3.41Å; Y36-W50 AromaticContact CD1-CZ3 3.85Å; Y36-W50 HydrophobicContact CD1-CZ3 3.85Å; Y36-W50 HydrophobicContact CD2-CB 3.7Å; Y36-W50 HydrophobicContact CD2-CE3 4.19Å; Y36-W50 HydrophobicContact CE1-CD2 4.39Å; Y36-W50 AromaticContact CE1-CE3 3.26Å; Y36-W50 HydrophobicContact CE1-CE3 3.26Å; Y36-W50 AromaticContact CE1-CZ3 3.52Å; Y36-W50 HydrophobicContact CE1-CZ3 3.52Å; Y36-W50 HydrophobicContact CE2-CB 3.91Å; Y36-W50 HydrophobicContact CE2-CE3 4.09Å; Y36-W50 HydrophobicContact CG-CB 4.19Å; Y36-W50 AromaticContact CG-CE3 3.87Å; Y36-W50 HydrophobicContact CG-CE3 3.87Å; Y36-W50 AromaticContact CZ-CE3 3.62Å; V46-W50 HydrophobicContact CG1-CD2 3.62Å; V46-W50 VanDerWaalsContact CG1-CE2 3.49Å; V46-W50 HydrophobicContact CG1-CE3 3.76Å; V46-W50 HydrophobicContact CG1-CG 4.31Å; V46-W50 HydrophobicContact CG1-CH2 3.75Å; V46-W50 HydrophobicContact CG1-CZ2 3.58Å; V46-W50 HydrophobicContact CG1-CZ3 3.83Å; V46-W50 WeakPolarHBondContact O-CB 3.36Å; V46-W50 PolarHBondContact O-N 3.31Å; A47-W50 PolarHBondContact O-N 3.45Å; E48-W50 PolarHBondContact O-N 2.95Å; W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 3.04Å; W50-Q53 PolarHBondContact O-N 2.81Å; W50-L56 HydrophobicContact CB-CD2 3.84Å; W50-L56 HydrophobicContact CG-CD2 3.95Å |
| 51 | N | 98.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 77.6 Ų | 77.6 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.9 | -21.6 | 176.4 | -71.4 | -21 | 0 | 0 | 0 | 113.4 | Y36 A47 Q53 L57 | Y36-N51 WeakPolarHBondContact CB-OD1 3.33Å; Y36-N51 PolarHBondContact N-OD1 2.97Å; Y36-N51 PolarHBondContact O-ND2 3.28Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 PolarHBondContact O-N 2.94Å; A47-N51 PolarHBondContact O-ND2 3.34Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; N51-L57 HydrophobicContact CB-CD1 4.47Å; N51-L57 VanDerWaalsContact O-CD1 3.31Å; N51-L57 WeakPolarHBondContact O-CD1 3.45Å |
| 52 | S | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20 | 173.6 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | E48 S49 W50 K54 | E48-S52 PolarHBondContact O-N 3.48Å; S49-S52 PolarHBondContact O-OG 3.36Å; W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 3.04Å; S52-K54 PolarHBondContact O-N 3.17Å |
| 53 | Q | 98.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 69.6 Ų | 69.6 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | trans | -87.9 | 101.7 | 178.6 | -66.7 | 171.9 | 65.8 | 0 | 0 | 110.6 | S49 W50 N51 L56 L57 | S49-Q53 PolarHBondContact O-NE2 3.3Å; W50-Q53 PolarHBondContact O-N 2.81Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; Q53-L56 HydrophobicContact CB-CB 3.9Å; Q53-L56 HydrophobicContact CB-CD2 4.49Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-L57 PolarHBondContact O-N 3.49Å | ||
| 54 | K | 97 | Very high | 97.9 | Very high | 135 Ų | 135 | 70.6 Ų | 70.6 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | -175 | -62.8 | -56.5 | -178.2 | -168.5 | 0 | 113.2 | S52 L56 L57 E58 | S52-K54 PolarHBondContact O-N 3.17Å; K54-L56 VanDerWaalsContact C-N 3.26Å; K54-L56 PolarHBondContact O-N 3.06Å; K54-L57 PolarHBondContact O-N 2.75Å; K54-L57 VanDerWaalsContact O-N 3.12Å; K54-E58 PolarHBondContact O-N 3.16Å |
| 55 | D | 97.8 | Very high | 97.9 | Very high | 134 Ų | 134 | 68.8 Ų | 68.8 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.4 | -39.6 | 179.5 | -55.5 | -16.7 | 0 | 0 | 0 | 111.5 | Q59 | D55-Q59 VanDerWaalsContact O-CB 3.29Å; D55-Q59 WeakPolarHBondContact O-CB 3.01Å; D55-Q59 PolarHBondContact O-N 2.67Å |
| 56 | L | 97.6 | Very high | 97.9 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 176.1 | 178.7 | 63.7 | 0 | 0 | 0 | 111.3 | Y36 W50 Q53 K54 Q59 K60 | Y36-L56 HydrophobicContact CE2-CD2 4.08Å; Y36-L56 HydrophobicContact CE2-CG 4.25Å; W50-L56 HydrophobicContact CB-CD2 3.84Å; W50-L56 HydrophobicContact CG-CD2 3.95Å; Q53-L56 HydrophobicContact CB-CB 3.9Å; Q53-L56 HydrophobicContact CB-CD2 4.49Å; Q53-L56 PolarHBondContact O-N 3.08Å; K54-L56 VanDerWaalsContact C-N 3.26Å; K54-L56 PolarHBondContact O-N 3.06Å; L56-Q59 PolarHBondContact O-N 3.27Å; L56-K60 HydrophobicContact CD1-CG 4.13Å; L56-K60 HydrophobicContact CG-CG 4.45Å; L56-K60 WeakPolarHBondContact O-CB 3.03Å; L56-K60 WeakPolarHBondContact O-CG 3.21Å; L56-K60 PolarHBondContact O-N 2.88Å |
| 57 | L | 97.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 178.6 | -77.5 | -179.1 | 0 | 0 | 0 | 112.1 | F29 E35 Y36 N51 Q53 K54 K60 R61 | F29-L57 HydrophobicContact CD2-CD2 4.45Å; F29-L57 HydrophobicContact CE2-CD2 4.17Å; E35-L57 HydrophobicContact CB-CD2 4.15Å; Y36-L57 HydrophobicContact CD2-CD2 4Å; Y36-L57 HydrophobicContact CE2-CD2 4.29Å; N51-L57 HydrophobicContact CB-CD1 4.47Å; N51-L57 VanDerWaalsContact O-CD1 3.31Å; N51-L57 WeakPolarHBondContact O-CD1 3.45Å; Q53-L57 PolarHBondContact O-N 3.49Å; K54-L57 PolarHBondContact O-N 2.75Å; K54-L57 VanDerWaalsContact O-N 3.12Å; L57-K60 PolarHBondContact O-N 3.15Å; L57-R61 WeakPolarHBondContact O-CB 3.41Å; L57-R61 WeakPolarHBondContact O-CD 3.3Å; L57-R61 VanDerWaalsContact O-CG 3.22Å; L57-R61 WeakPolarHBondContact O-CG 3.39Å; L57-R61 PolarHBondContact O-N 2.99Å |
| 58 | E | 97.5 | Very high | 97.9 | Very high | 128 Ų | 128 | 73.4 Ų | 73.4 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 176.8 | -72.1 | -175.2 | 177.2 | 0 | 0 | 111.4 | K54 K60 R61 G62 | K54-E58 PolarHBondContact O-N 3.16Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 2.81Å; E58-R61 PolarHBondContact O-N 2.89Å; E58-G62 PolarHBondContact O-N 2.66Å |
| 59 | Q | 97.6 | Very high | 97.9 | Very high | 116 Ų | 116 | 70.4 Ų | 70.4 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.3 | -172.9 | -171.5 | 13.4 | 0 | 0 | 111.9 | D55 L56 G62 Q63 | D55-Q59 VanDerWaalsContact O-CB 3.29Å; D55-Q59 WeakPolarHBondContact O-CB 3.01Å; D55-Q59 PolarHBondContact O-N 2.67Å; L56-Q59 PolarHBondContact O-N 3.27Å; Q59-G62 PolarHBondContact O-N 3.47Å; Q59-Q63 WeakPolarHBondContact O-CG 3.18Å; Q59-Q63 PolarHBondContact O-N 2.85Å; Q59-Q63 PolarHBondContact O-NE2 2.85Å |
| 60 | K | 97.9 | Very high | 97.8 | Very high | 27 Ų | 27 | 72.9 Ų | 72.9 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | -178.7 | -66.8 | -73.4 | 169.1 | 176.7 | 0 | 112.3 | F15 E17 F29 Y36 L56 L57 E58 G62 Q63 | F15-K60 HydrophobicContact CE1-CD 4.49Å; E17-K60 IonicContact OE1-NZ 2.65Å; E17-K60 PolarHBondContact OE1-NZ 3.39Å; E17-K60 WeakPolarHBondContact OE2-CE 3.35Å; E17-K60 IonicContact OE2-NZ 2.8Å; E17-K60 PolarHBondContact OE2-NZ 3.35Å; F29-K60 HydrophobicContact CD1-CB 4.09Å; F29-K60 HydrophobicContact CD2-CB 3.91Å; F29-K60 HydrophobicContact CE1-CB 3.86Å; F29-K60 WeakPolarHBondContact CE1-O 3.44Å; F29-K60 HydrophobicContact CE2-CB 3.66Å; F29-K60 HydrophobicContact CG-CB 4.12Å; F29-K60 HydrophobicContact CZ-CB 3.64Å; Y36-K60 HydrophobicContact CE2-CG 4.35Å; Y36-K60 WeakPolarHBondContact OH-CD 3.46Å; Y36-K60 VanDerWaalsContact OH-CE 3.24Å; Y36-K60 WeakPolarHBondContact OH-CE 3.12Å; Y36-K60 WeakPolarHBondContact OH-CG 3.4Å; L56-K60 HydrophobicContact CD1-CG 4.13Å; L56-K60 HydrophobicContact CG-CG 4.45Å; L56-K60 WeakPolarHBondContact O-CB 3.03Å; L56-K60 WeakPolarHBondContact O-CG 3.21Å; L56-K60 PolarHBondContact O-N 2.88Å; L57-K60 PolarHBondContact O-N 3.15Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 2.81Å; K60-G62 VanDerWaalsContact C-N 3.28Å; K60-G62 PolarHBondContact O-N 3.44Å; K60-Q63 WeakPolarHBondContact O-CB 3.23Å; K60-Q63 WeakPolarHBondContact O-CG 3.39Å; K60-Q63 PolarHBondContact O-N 2.92Å; K60-Q63 VanDerWaalsContact O-N 3.17Å |
| 61 | R | 97.8 | Very high | 97.8 | Very high | 123 Ų | 123 | 73 Ų | 73 | 46% | 0.464 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 170.8 | -70.5 | 165.3 | -175.3 | 178.3 | -2.1 | 111.3 | F29 G34 L57 E58 Q63 | F29-R61 HydrophobicContact CE2-CG 4.46Å; F29-R61 HydrophobicContact CZ-CG 3.92Å; G34-R61 VanDerWaalsContact O-CZ 3.3Å; G34-R61 PolarHBondContact O-NE 3.39Å; G34-R61 PolarHBondContact O-NH2 3.44Å; L57-R61 WeakPolarHBondContact O-CB 3.41Å; L57-R61 WeakPolarHBondContact O-CD 3.3Å; L57-R61 VanDerWaalsContact O-CG 3.22Å; L57-R61 WeakPolarHBondContact O-CG 3.39Å; L57-R61 PolarHBondContact O-N 2.99Å; E58-R61 PolarHBondContact O-N 2.89Å; R61-Q63 PolarHBondContact O-N 3.13Å |
| 62 | G | 97.9 | Very high | 97.8 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E58 Q59 K60 V64 D65 N66 | E58-G62 PolarHBondContact O-N 2.66Å; Q59-G62 PolarHBondContact O-N 3.47Å; K60-G62 VanDerWaalsContact C-N 3.28Å; K60-G62 PolarHBondContact O-N 3.44Å; G62-V64 PolarHBondContact O-N 3.05Å; G62-D65 PolarHBondContact O-N 3.5Å; G62-N66 WeakPolarHBondContact O-CB 3.38Å; G62-N66 PolarHBondContact O-N 3.32Å |
| 63 | Q | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 71.2 Ų | 71.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -22.7 | -180 | -65.4 | -61 | -55.5 | 0 | 0 | 113.1 | F15 Q59 K60 R61 D65 Y67 C68 | F15-Q63 HydrophobicContact CD1-CB 3.58Å; F15-Q63 HydrophobicContact CD1-CG 4.23Å; F15-Q63 HydrophobicContact CD2-CB 4.03Å; F15-Q63 HydrophobicContact CE1-CB 3.61Å; F15-Q63 HydrophobicContact CE1-CG 3.77Å; F15-Q63 HydrophobicContact CE2-CB 4.03Å; F15-Q63 HydrophobicContact CG-CB 3.79Å; F15-Q63 HydrophobicContact CZ-CB 3.83Å; F15-Q63 HydrophobicContact CZ-CG 3.92Å; Q59-Q63 WeakPolarHBondContact O-CG 3.18Å; Q59-Q63 PolarHBondContact O-N 2.85Å; Q59-Q63 PolarHBondContact O-NE2 2.85Å; K60-Q63 WeakPolarHBondContact O-CB 3.23Å; K60-Q63 WeakPolarHBondContact O-CG 3.39Å; K60-Q63 PolarHBondContact O-N 2.92Å; K60-Q63 VanDerWaalsContact O-N 3.17Å; R61-Q63 PolarHBondContact O-N 3.13Å; Q63-D65 PolarHBondContact O-N 3.41Å; Q63-Y67 WeakPolarHBondContact O-CA 3.45Å; Q63-Y67 VanDerWaalsContact O-CB 3.32Å; Q63-Y67 WeakPolarHBondContact O-CB 3.41Å; Q63-Y67 PolarHBondContact O-N 3.01Å; Q63-C68 PolarHBondContact O-N 2.97Å |
| 64 | V | 98.3 | Very high | 97.6 | Very high | 21 Ų | 21 | 70.8 Ų | 70.8 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -55.7 | -42.5 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | V13 F15 S31 G62 C68 R69 | V13-V64 HydrophobicContact CB-CG1 4.24Å; V13-V64 HydrophobicContact CG1-CG1 4.38Å; F15-V64 HydrophobicContact CB-CG2 3.76Å; S31-V64 VanDerWaalsContact CB-CG2 3.41Å; G62-V64 PolarHBondContact O-N 3.05Å; V64-C68 WeakPolarHBondContact O-CB 3.45Å; V64-R69 PolarHBondContact O-N 2.84Å; V64-R69 VanDerWaalsContact O-N 3.11Å; V64-R69 PolarHBondContact O-NH1 3.32Å |
| 65 | D | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -97.5 | -49 | -179.2 | -61.7 | -39.8 | 0 | 0 | 0 | 112 | G62 Q63 Y67 R69 H70 | G62-D65 PolarHBondContact O-N 3.5Å; Q63-D65 PolarHBondContact O-N 3.41Å; D65-Y67 VanDerWaalsContact C-N 3.27Å; D65-Y67 PolarHBondContact O-N 2.83Å; D65-R69 WeakPolarHBondContact OD1-CD 3.39Å; D65-R69 IonicContact OD1-CZ 2.97Å; D65-R69 IonicContact OD1-NE 3.54Å; D65-R69 IonicContact OD1-NH1 2.67Å; D65-R69 PolarHBondContact OD1-NH1 3.01Å; D65-H70 PolarHBondContact O-N 2.77Å |
| 66 | N | 96.9 | Very high | 97.5 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 65% | 0.647 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -69 | -25.9 | -173.4 | -65 | -19.4 | 0 | 0 | 0 | 113.2 | G62 H70 | G62-N66 WeakPolarHBondContact O-CB 3.38Å; G62-N66 PolarHBondContact O-N 3.32Å; N66-H70 VanDerWaalsContact O-CB 3.26Å; N66-H70 WeakPolarHBondContact O-CB 3.33Å |
| 67 | Y | 97.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -114.5 | -57.9 | -180 | -178.5 | -99.3 | 0 | 0 | 0 | 111.5 | F15 Q63 D65 N71 | F15-Y67 HydrophobicContact CD2-CD1 4.42Å; F15-Y67 HydrophobicContact CE2-CD1 4.11Å; F15-Y67 HydrophobicContact CE2-CE1 4.48Å; Q63-Y67 WeakPolarHBondContact O-CA 3.45Å; Q63-Y67 VanDerWaalsContact O-CB 3.32Å; Q63-Y67 WeakPolarHBondContact O-CB 3.41Å; Q63-Y67 PolarHBondContact O-N 3.01Å; D65-Y67 VanDerWaalsContact C-N 3.27Å; D65-Y67 PolarHBondContact O-N 2.83Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.26Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.24Å; Y67-N71 VanDerWaalsContact O-CB 3.23Å; Y67-N71 WeakPolarHBondContact O-CB 3.37Å; Y67-N71 PolarHBondContact O-N 2.79Å; Y67-N71 PolarHBondContact O-ND2 3.48Å |
| 68 | C | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -68.9 | -57.7 | -173.4 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | C4 F6 V13 F15 Q63 V64 N71 Y72 | C4-C68 HydrophobicContact CB-CB 3.63Å; C4-C68 WeakPolarHBondContact CB-SG 3.49Å; C4-C68 WeakPolarHBondContact SG-CA 3.48Å; C4-C68 WeakPolarHBondContact SG-CB 3.16Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 3.14Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.5Å; V13-C68 HydrophobicContact CG1-CB 3.5Å; F15-C68 VanDerWaalsContact CD2-SG 3.6Å; Q63-C68 PolarHBondContact O-N 2.97Å; V64-C68 WeakPolarHBondContact O-CB 3.45Å; C68-N71 PolarHBondContact O-N 2.83Å; C68-Y72 VanDerWaalsContact O-CB 3.28Å; C68-Y72 WeakPolarHBondContact O-CB 3.3Å; C68-Y72 PolarHBondContact O-N 3Å |
| 69 | R | 98.4 | Very high | 97.1 | Very high | 63 Ų | 63 | 65.1 Ų | 65.1 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -64.7 | -41.5 | 179.1 | -72.5 | -169.9 | 177.3 | 65.6 | 3.6 | 112.5 | T10 E11 V13 V64 D65 Y72 G73 | T10-R69 HydrophobicContact CG2-CG 4.33Å; T10-R69 VanDerWaalsContact O-CZ 3.24Å; T10-R69 PolarHBondContact O-NE 3.01Å; T10-R69 PolarHBondContact O-NH2 3.03Å; E11-R69 PolarHBondContact O-NH2 3.4Å; V13-R69 HydrophobicContact CG2-CG 4.07Å; V13-R69 VanDerWaalsContact CG2-CZ 3.41Å; V64-R69 PolarHBondContact O-N 2.84Å; V64-R69 VanDerWaalsContact O-N 3.11Å; V64-R69 PolarHBondContact O-NH1 3.32Å; D65-R69 WeakPolarHBondContact OD1-CD 3.39Å; D65-R69 IonicContact OD1-CZ 2.97Å; D65-R69 IonicContact OD1-NE 3.54Å; D65-R69 IonicContact OD1-NH1 2.67Å; D65-R69 PolarHBondContact OD1-NH1 3.01Å; R69-Y72 PolarHBondContact O-N 3.03Å; R69-G73 PolarHBondContact O-N 2.87Å |
| 70 | H | 97.4 | Very high | 97 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.7 | -56.5 | 175.7 | 179 | 73.8 | 0 | 0 | 0 | 111.5 | D65 N66 Y72 G73 V74 | D65-H70 PolarHBondContact O-N 2.77Å; N66-H70 VanDerWaalsContact O-CB 3.26Å; N66-H70 WeakPolarHBondContact O-CB 3.33Å; H70-Y72 PolarHBondContact O-N 2.95Å; H70-G73 PolarHBondContact O-N 2.98Å; H70-V74 WeakPolarHBondContact O-CG2 3.4Å; H70-V74 PolarHBondContact O-N 2.89Å; H70-V74 VanDerWaalsContact O-N 3.09Å |
| 71 | N | 97.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | -178.8 | -75.3 | -62.1 | 0 | 0 | 0 | 112.2 | Y67 C68 G73 V74 V75 | Y67-N71 WeakPolarHBondContact CD2-ND2 3.26Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.24Å; Y67-N71 VanDerWaalsContact O-CB 3.23Å; Y67-N71 WeakPolarHBondContact O-CB 3.37Å; Y67-N71 PolarHBondContact O-N 2.79Å; Y67-N71 PolarHBondContact O-ND2 3.48Å; C68-N71 PolarHBondContact O-N 2.83Å; N71-G73 VanDerWaalsContact C-N 3.34Å; N71-G73 PolarHBondContact O-N 2.02Å; N71-V74 PolarHBondContact O-N 2.84Å; N71-V75 VanDerWaalsContact O-CG2 3.28Å; N71-V75 WeakPolarHBondContact O-CG2 3.39Å; N71-V75 PolarHBondContact O-N 2.72Å |
| 72 | Y | 97.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.6 | -52.7 | 173.9 | -175.6 | -79.8 | 0 | 0 | 0 | 110.3 | F6 T10 C68 R69 H70 V74 V75 E76 V80 | F6-Y72 HydrophobicContact CB-CE2 4.39Å; 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 4.1Å; F6-Y72 HydrophobicContact CD2-CD2 4Å; F6-Y72 HydrophobicContact CD2-CE2 4.5Å; F6-Y72 AromaticContact CE1-CD2 3.53Å; F6-Y72 HydrophobicContact CE1-CD2 3.53Å; F6-Y72 AromaticContact CE1-CG 3.81Å; F6-Y72 HydrophobicContact CE1-CG 3.81Å; F6-Y72 HydrophobicContact CE2-CD2 4.01Å; F6-Y72 AromaticContact CG-CD2 3.75Å; F6-Y72 HydrophobicContact CG-CD2 3.75Å; F6-Y72 HydrophobicContact CG-CE2 4.07Å; F6-Y72 AromaticContact CZ-CD2 3.79Å; F6-Y72 HydrophobicContact CZ-CD2 3.79Å; F6-Y72 HydrophobicContact CZ-CG 4.2Å; T10-Y72 HydrophobicContact CG2-CD1 3.28Å; T10-Y72 HydrophobicContact CG2-CD2 4.28Å; T10-Y72 HydrophobicContact CG2-CE1 3.62Å; T10-Y72 HydrophobicContact CG2-CG 3.66Å; C68-Y72 VanDerWaalsContact O-CB 3.28Å; C68-Y72 WeakPolarHBondContact O-CB 3.3Å; C68-Y72 PolarHBondContact O-N 3Å; R69-Y72 PolarHBondContact O-N 3.03Å; H70-Y72 PolarHBondContact O-N 2.95Å; Y72-V74 VanDerWaalsContact C-N 3.28Å; Y72-V74 PolarHBondContact O-N 2.96Å; Y72-V75 PolarHBondContact O-N 2.83Å; Y72-E76 HydrophobicContact CD1-CB 4.24Å; Y72-E76 HydrophobicContact CD1-CG 4.38Å; Y72-E76 HydrophobicContact CE1-CB 4.07Å; Y72-E76 HydrophobicContact CE1-CG 3.71Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.12Å; Y72-E76 WeakPolarHBondContact O-CA 3.08Å; Y72-E76 WeakPolarHBondContact O-CB 3.47Å; Y72-E76 PolarHBondContact O-N 2.83Å; Y72-E76 PolarHBondContact OH-OE1 2.74Å; Y72-V80 HydrophobicContact CE2-CG2 3.79Å |
| 73 | G | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 69.5 Ų | 69.5 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -32.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R69 H70 N71 | R69-G73 PolarHBondContact O-N 2.87Å; H70-G73 PolarHBondContact O-N 2.98Å; N71-G73 VanDerWaalsContact C-N 3.34Å; N71-G73 PolarHBondContact O-N 2.02Å |
| 74 | V | 96.9 | Very high | 96.9 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | H70 N71 Y72 | H70-V74 WeakPolarHBondContact O-CG2 3.4Å; H70-V74 PolarHBondContact O-N 2.89Å; H70-V74 VanDerWaalsContact O-N 3.09Å; N71-V74 PolarHBondContact O-N 2.84Å; Y72-V74 VanDerWaalsContact C-N 3.28Å; Y72-V74 PolarHBondContact O-N 2.96Å |
| 75 | V | 96.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 74 Ų | 74 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -106.3 | -7.2 | -170.4 | -48.8 | 0 | 0 | 0 | 0 | 115 | N71 Y72 S77 F78 T79 | N71-V75 VanDerWaalsContact O-CG2 3.28Å; N71-V75 WeakPolarHBondContact O-CG2 3.39Å; N71-V75 PolarHBondContact O-N 2.72Å; Y72-V75 PolarHBondContact O-N 2.83Å; V75-S77 VanDerWaalsContact C-N 3.27Å; V75-S77 PolarHBondContact O-N 2.93Å; V75-F78 VanDerWaalsContact CA-CE1 3.5Å; V75-F78 HydrophobicContact CB-CE1 3.91Å; V75-F78 HydrophobicContact CB-CE2 3.81Å; V75-F78 HydrophobicContact CB-CZ 3.41Å; V75-F78 VanDerWaalsContact CB-CZ 3.41Å; V75-F78 HydrophobicContact CG1-CE1 4.17Å; V75-F78 HydrophobicContact CG1-CE2 4.18Å; V75-F78 HydrophobicContact CG1-CZ 3.5Å; V75-F78 VanDerWaalsContact CG1-CZ 3.5Å; V75-F78 PolarHBondContact O-N 3.38Å; V75-T79 HydrophobicContact CB-CG2 4.19Å; V75-T79 HydrophobicContact CG2-CG2 4.12Å; V75-T79 WeakPolarHBondContact O-CB 2.94Å; V75-T79 WeakPolarHBondContact O-CG2 3.36Å; V75-T79 PolarHBondContact O-N 2.83Å; V75-T79 VanDerWaalsContact O-N 3.07Å; V75-T79 PolarHBondContact O-OG1 3.4Å |
| 76 | E | 96.1 | Very high | 96.8 | Very high | 56 Ų | 56 | 70.3 Ų | 70.3 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55 | -42.7 | -173.5 | -172.4 | 178.8 | -155.6 | 0 | 0 | 112.4 | Y72 F78 T79 V80 Q81 | Y72-E76 HydrophobicContact CD1-CB 4.24Å; Y72-E76 HydrophobicContact CD1-CG 4.38Å; Y72-E76 HydrophobicContact CE1-CB 4.07Å; Y72-E76 HydrophobicContact CE1-CG 3.71Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.12Å; Y72-E76 WeakPolarHBondContact O-CA 3.08Å; Y72-E76 WeakPolarHBondContact O-CB 3.47Å; Y72-E76 PolarHBondContact O-N 2.83Å; Y72-E76 PolarHBondContact OH-OE1 2.74Å; E76-F78 PolarHBondContact O-N 2.88Å; E76-T79 PolarHBondContact O-N 3.48Å; E76-V80 HydrophobicContact CG-CB 3.73Å; E76-V80 HydrophobicContact CG-CG1 4.36Å; E76-V80 HydrophobicContact CG-CG2 4.02Å; E76-V80 PolarHBondContact O-N 2.87Å; E76-Q81 HydrophobicContact CG-CG 4.22Å; E76-Q81 PolarHBondContact O-N 2.95Å |
| 77 | S | 94.8 | Very high | 96.9 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -34.6 | -175.9 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | V75 | V75-S77 VanDerWaalsContact C-N 3.27Å; V75-S77 PolarHBondContact O-N 2.93Å |
| 78 | F | 93.7 | Very high | 96.9 | Very high | 118 Ų | 118 | 67.7 Ų | 67.7 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -110.5 | 0.8 | -178.5 | 62 | -97.3 | 0 | 0 | 0 | 114.3 | V75 E76 R82 | V75-F78 VanDerWaalsContact CA-CE1 3.5Å; V75-F78 HydrophobicContact CB-CE1 3.91Å; V75-F78 HydrophobicContact CB-CE2 3.81Å; V75-F78 HydrophobicContact CB-CZ 3.41Å; V75-F78 VanDerWaalsContact CB-CZ 3.41Å; V75-F78 HydrophobicContact CG1-CE1 4.17Å; V75-F78 HydrophobicContact CG1-CE2 4.18Å; V75-F78 HydrophobicContact CG1-CZ 3.5Å; V75-F78 VanDerWaalsContact CG1-CZ 3.5Å; V75-F78 PolarHBondContact O-N 3.38Å; E76-F78 PolarHBondContact O-N 2.88Å; F78-R82 WeakPolarHBondContact O-CB 3.35Å; F78-R82 WeakPolarHBondContact O-CD 3.27Å |
| 79 | T | 95.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 71.4 Ų | 71.4 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -116.5 | -61.3 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | V75 E76 Y112 W142 | V75-T79 HydrophobicContact CB-CG2 4.19Å; V75-T79 HydrophobicContact CG2-CG2 4.12Å; V75-T79 WeakPolarHBondContact O-CB 2.94Å; V75-T79 WeakPolarHBondContact O-CG2 3.36Å; V75-T79 PolarHBondContact O-N 2.83Å; V75-T79 VanDerWaalsContact O-N 3.07Å; V75-T79 PolarHBondContact O-OG1 3.4Å; E76-T79 PolarHBondContact O-N 3.48Å; T79-Y112 WeakPolarHBondContact O-CE1 3.13Å; T79-Y112 PolarHBondContact O-OH 2.99Å; T79-W142 HydrophobicContact CG2-CH2 4.1Å; T79-W142 HydrophobicContact CG2-CZ3 4Å |
| 80 | V | 95.5 | Very high | 96.8 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 38% | 0.376 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -44.3 | -175.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | Y72 E76 R82 R83 | Y72-V80 HydrophobicContact CE2-CG2 3.79Å; E76-V80 HydrophobicContact CG-CB 3.73Å; E76-V80 HydrophobicContact CG-CG1 4.36Å; E76-V80 HydrophobicContact CG-CG2 4.02Å; E76-V80 PolarHBondContact O-N 2.87Å; V80-R82 VanDerWaalsContact C-N 3.3Å; V80-R83 PolarHBondContact O-NH1 3.17Å |
| 81 | Q | 95.6 | Very high | 96.5 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -82.9 | -10.5 | -179.1 | -65.4 | 176.5 | 7.1 | 0 | 0 | 112.7 | E76 R83 | E76-Q81 HydrophobicContact CG-CG 4.22Å; E76-Q81 PolarHBondContact O-N 2.95Å; Q81-R83 PolarHBondContact O-N 2.85Å |
| 82 | R | 96.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | trans | -57.4 | 131.2 | 178.2 | 178.8 | -178.9 | 176.3 | 85.3 | -1.3 | 110.6 | F78 V80 V84 Y112 | F78-R82 WeakPolarHBondContact O-CB 3.35Å; F78-R82 WeakPolarHBondContact O-CD 3.27Å; V80-R82 VanDerWaalsContact C-N 3.3Å; R82-V84 HydrophobicContact CG-CG2 4.3Å; R82-Y112 HydrophobicContact CB-CD1 3.91Å; R82-Y112 HydrophobicContact CB-CE1 3.77Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.44Å; R82-Y112 VanDerWaalsContact O-CD1 3.31Å; R82-Y112 WeakPolarHBondContact O-CD1 3.25Å | ||
| 83 | R | 97.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 68.8 Ų | 68.8 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | trans | -133 | 127.1 | 174.9 | -65.6 | -61.2 | 176.5 | -96.6 | -0.3 | 109.2 | V80 Q81 Y112 | V80-R83 PolarHBondContact O-NH1 3.17Å; Q81-R83 PolarHBondContact O-N 2.85Å; R83-Y112 CarbonylContact C-O 3.52Å; R83-Y112 WeakPolarHBondContact CA-O 3.43Å | ||
| 84 | V | 98.1 | Very high | 94.1 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 130.7 | 175.1 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | R82 G110 F111 Y112 H166 | R82-V84 HydrophobicContact CG-CG2 4.3Å; V84-G110 WeakPolarHBondContact CG1-O 3.37Å; V84-F111 WeakPolarHBondContact O-CA 3.27Å; V84-Y112 PolarHBondContact N-O 2.74Å; V84-Y112 PolarHBondContact O-N 2.64Å; V84-H166 PolarHBondContact O-CE1 3.04Å |
| 85 | H | 97.7 | Very high | 92.2 | Very high | 112 Ų | 112 | 72.8 Ų | 72.8 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 137.7 | -173.8 | -71.7 | 63.5 | 0 | 0 | 0 | 111.7 | S168 V169 | H85-S168 WeakPolarHBondContact CA-OG 3.42Å; H85-S168 PolarHBondContact CE1-O 2.85Å; H85-S168 PolarHBondContact NE2-O 2.78Å; H85-S168 VanDerWaalsContact NE2-O 3.12Å; H85-V169 WeakPolarHBondContact CD2-CG1 3.01Å |
| 86 | P | 98.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 77.6 Ų | 77.6 | 7% | 0.065 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 139.4 | 172.3 | 24.8 | -30 | 0 | 0 | 0 | 111.7 | V88 V108 S109 F111 V164 H166 L173 | P86-V88 HydrophobicContact CB-CG2 4.36Å; P86-V108 HydrophobicContact CB-CG1 3.45Å; P86-V108 VanDerWaalsContact CB-CG1 3.45Å; P86-V108 HydrophobicContact CG-CG1 4.47Å; P86-S109 WeakPolarHBondContact CA-O 3.4Å; P86-F111 HydrophobicContact CB-CB 3.76Å; P86-F111 HydrophobicContact CB-CD1 4.09Å; P86-F111 HydrophobicContact CB-CG 4.2Å; P86-F111 HydrophobicContact CG-CB 4.36Å; P86-V164 HydrophobicContact CG-CG1 4.13Å; P86-H166 HydrophobicContact CG-CB 4.19Å; P86-L173 HydrophobicContact CG-CD1 3.67Å |
| 87 | Q | 98.1 | Very high | 88.2 | Confident | 140 Ų | 140 | 81.7 Ų | 81.7 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.5 | 160.5 | -66.2 | -171.5 | -23.5 | 0 | 0 | 108.8 | V108 S109 | Q87-V108 WeakPolarHBondContact O-CA 3.47Å; Q87-S109 PolarHBondContact N-O 2.61Å; Q87-S109 PolarHBondContact O-N 3.46Å |
| 88 | V | 98.4 | Very high | 86.1 | Confident | 25 Ų | 25 | 85.5 Ų | 85.5 | 15% | 0.152 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.8 | -176.3 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | P86 S107 V108 V164 L173 V175 | P86-V88 HydrophobicContact CB-CG2 4.36Å; V88-S107 WeakPolarHBondContact CA-O 3.24Å; V88-V108 HydrophobicContact CG1-CG2 4.42Å; V88-V108 HydrophobicContact CG2-CG1 4.37Å; V88-V108 HydrophobicContact CG2-CG2 4.46Å; V88-V164 HydrophobicContact CG1-CG2 4.03Å; V88-V164 HydrophobicContact CG2-CB 4.21Å; V88-V164 HydrophobicContact CG2-CG2 3.74Å; V88-L173 HydrophobicContact CG2-CB 4.47Å; V88-L173 HydrophobicContact CG2-CD1 4.12Å; V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.21Å; V88-V175 HydrophobicContact CG1-CG2 3.6Å |
| 89 | T | 97.4 | Very high | 84.2 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.3 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | Y91 S107 | T89-Y91 HydrophobicContact CG2-CD1 4.19Å; T89-S107 PolarHBondContact N-O 3.42Å; T89-S107 PolarHBondContact O-N 2.81Å |
| 90 | V | 96 | Very high | 82.2 | Confident | 19 Ų | 19 | 91.7 Ų | 91.7 | 12% | 0.115 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.9 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 110 | V105 C106 W120 C162 V175 W177 | V90-V105 VanDerWaalsContact CA-O 3.32Å; V90-V105 WeakPolarHBondContact CA-O 3.38Å; V90-C106 HydrophobicContact CG2-CB 4.29Å; V90-W120 HydrophobicContact CG1-CH2 3.64Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.19Å; V90-C162 HydrophobicContact CG2-CB 3.6Å; V90-V175 HydrophobicContact CB-CG1 3.98Å; V90-V175 HydrophobicContact CG2-CB 3.91Å; V90-V175 HydrophobicContact CG2-CG1 3.7Å; V90-W177 HydrophobicContact CB-CB 4.31Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 3.98Å |
| 91 | Y | 91 | Very high | 80.5 | Confident | 96 Ų | 96 | 92.6 Ų | 92.6 | 38% | 0.376 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 152 | 177.4 | 59.7 | -88.4 | 0 | 0 | 0 | 111.9 | T89 V105 | T89-Y91 HydrophobicContact CG2-CD1 4.19Å; Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.22Å; Y91-V105 HydrophobicContact CE1-CG1 4.14Å; Y91-V105 HydrophobicContact CE2-CB 3.87Å; Y91-V105 HydrophobicContact CE2-CG1 4.25Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 3Å; Y91-V105 PolarHBondContact O-N 2.83Å |
| 92 | P | 89.4 | Confident | 79.3 | Confident | 65 Ų | 65 | 90 Ų | 90 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.4 | 171.3 | 32 | -31.1 | 0 | 0 | 0 | 110 | L103 L104 W177 | P92-L103 CarbonylContact C-O 3.56Å; P92-L103 WeakPolarHBondContact CA-O 3.43Å; P92-L104 HydrophobicContact CB-CD2 4.07Å; P92-W177 HydrophobicContact CB-CZ2 4.26Å; P92-W177 HydrophobicContact CG-CZ2 4.18Å |
| 93 | A | 83.9 | Confident | 78.9 | Confident | 29 Ų | 29 | 87.6 Ų | 87.6 | 24% | 0.24 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | T95 L103 V105 | A93-T95 PolarHBondContact O-N 2.94Å; A93-L103 HydrophobicContact CB-CB 4.32Å; A93-L103 PolarHBondContact N-O 3.39Å; A93-L103 WeakPolarHBondContact O-CB 3.26Å; A93-L103 PolarHBondContact O-N 2.83Å; A93-L103 VanDerWaalsContact O-N 3.15Å; A93-V105 HydrophobicContact CB-CG2 3.7Å |
| 94 | K | 69.2 | Low | 78.6 | Confident | 172 Ų | 172 | 82.3 Ų | 82.3 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 116.5 | 171.5 | -67.3 | -171.3 | 177.7 | -169.6 | 0 | 108 | ||
| 95 | T | 55.9 | Low | 78.5 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 163.5 | 156.9 | 53.1 | 0 | 0 | 0 | 0 | 107.7 | A93 H101 L103 | A93-T95 PolarHBondContact O-N 2.94Å; T95-H101 PolarHBondContact OG1-O 3.16Å; T95-L103 HydrophobicContact CG2-CB 4.15Å; T95-L103 HydrophobicContact CG2-CD2 4.47Å |
| 96 | Q | 55.3 | Low | 78.5 | Confident | 147 Ų | 147 | 75.4 Ų | 75.4 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | trans | -42.2 | 151.1 | -167.7 | -71.8 | 168.5 | -2.9 | 0 | 0 | 114.9 | L98 Q99 | Q96-L98 PolarHBondContact O-N 3Å; Q96-Q99 PolarHBondContact O-N 3.36Å | ||
| 97 | P | 54.3 | Low | 78.5 | Confident | 142 Ų | 142 | 76 Ų | 76 | 92% | 0.922 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -15.1 | -171.9 | -25.8 | 32.1 | 0 | 0 | 0 | 117.2 | ||
| 98 | L | 50.6 | Low | 78.5 | Confident | 155 Ų | 155 | 69.3 Ų | 69.3 | 81% | 0.812 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -15.7 | -176.3 | -73 | 153.8 | 0 | 0 | 0 | 113.9 | Q96 | Q96-L98 PolarHBondContact O-N 3Š|
| 99 | Q | 52.4 | Low | 78.5 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | trans | -95.7 | 124.4 | 178.9 | -76.1 | 178.7 | -20.9 | 0 | 0 | 110.2 | Q96 H101 | Q96-Q99 PolarHBondContact O-N 3.36Å; Q99-H101 PolarHBondContact O-N 2.97Å | ||
| 100 | H | 55.3 | Low | 78.6 | Confident | 166 Ų | 166 | 67 Ų | 67 | 77% | 0.769 | 35% | 0.353 | S | S | * | . | trans | -75.5 | 4.6 | 177.6 | -67.2 | 68 | 0 | 0 | 0 | 112.8 | V153 | H100-V153 WeakPolarHBondContact O-CG2 3.39Š| ||
| 101 | H | 59 | Low | 78.7 | Confident | 81 Ų | 81 | 66 Ų | 66 | 38% | 0.375 | 35% | 0.348 | S | S | . | . | trans | -90.8 | 128.8 | 179.5 | -59 | -69.2 | 0 | 0 | 0 | 109.4 | T95 Q99 E151 V153 | T95-H101 PolarHBondContact OG1-O 3.16Å; Q99-H101 PolarHBondContact O-N 2.97Å; H101-E151 HydrophobicContact CB-CG 4.13Å; H101-E151 IonicContact CD2-OE1 3.9Å; H101-E151 IonicContact CG-OE1 3.05Å; H101-V153 WeakPolarHBondContact ND1-CG2 3.28Å | ||
| 102 | N | 71.5 | Confident | 79 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.5 | 169 | -73.5 | -45.7 | 0 | 0 | 0 | 108.2 | T152 P154 | N102-T152 CarbonylContact C-O 3.57Å; N102-T152 PolarHBondContact N-O 2.81Å; N102-T152 PolarHBondContact O-N 2.73Å; N102-T152 VanDerWaalsContact O-N 3.08Å; N102-P154 HydrophobicContact CB-CG 4.14Å |
| 103 | L | 86.8 | Confident | 79.4 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.3 | 173.7 | -166.3 | 71 | 0 | 0 | 0 | 108 | P92 A93 T95 V105 M149 E151 | P92-L103 CarbonylContact C-O 3.56Å; P92-L103 WeakPolarHBondContact CA-O 3.43Å; A93-L103 HydrophobicContact CB-CB 4.32Å; A93-L103 PolarHBondContact N-O 3.39Å; A93-L103 WeakPolarHBondContact O-CB 3.26Å; A93-L103 PolarHBondContact O-N 2.83Å; A93-L103 VanDerWaalsContact O-N 3.15Å; T95-L103 HydrophobicContact CG2-CB 4.15Å; T95-L103 HydrophobicContact CG2-CD2 4.47Å; L103-V105 HydrophobicContact CD2-CG2 4.29Å; L103-V105 HydrophobicContact CG-CG2 4.34Å; L103-M149 HydrophobicContact CD1-CB 3.9Å; L103-M149 HydrophobicContact CD2-CB 4.24Å; L103-M149 HydrophobicContact CD2-CG 4.2Å; L103-M149 HydrophobicContact CD2-SD 3.94Å; L103-M149 HydrophobicContact CG-CB 4.06Å; L103-M149 HydrophobicContact CG-CG 4.47Å; L103-E151 HydrophobicContact CD1-CB 4.34Å |
| 104 | L | 92.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.8 | 169.1 | -71.7 | 177.7 | 0 | 0 | 0 | 108.8 | P92 W120 M149 L150 T152 Y160 W177 | P92-L104 HydrophobicContact CB-CD2 4.07Å; L104-W120 HydrophobicContact CB-CH2 3.86Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; L104-M149 CarbonylContact O-C 3.6Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; L104-L150 HydrophobicContact CB-CB 4.4Å; L104-L150 PolarHBondContact N-O 2.88Å; L104-L150 PolarHBondContact O-N 3.05Å; L104-T152 HydrophobicContact CD1-CG2 3.98Å; L104-T152 HydrophobicContact CG-CG2 4.21Å; L104-Y160 HydrophobicContact CD1-CD1 3.68Å; L104-Y160 HydrophobicContact CD1-CD2 3.84Å; L104-Y160 HydrophobicContact CD1-CE1 4.19Å; L104-Y160 HydrophobicContact CD1-CE2 4.35Å; L104-Y160 HydrophobicContact CD1-CG 3.48Å; L104-Y160 VanDerWaalsContact CD1-CG 3.48Å; L104-W177 HydrophobicContact CD1-CD2 4.45Å; L104-W177 HydrophobicContact CD1-CE3 3.75Å; L104-W177 HydrophobicContact CD1-CZ3 3.93Å; L104-W177 HydrophobicContact CD2-CD2 3.67Å; L104-W177 HydrophobicContact CD2-CE3 3.67Å; L104-W177 HydrophobicContact CD2-CG 4.32Å; L104-W177 HydrophobicContact CD2-CH2 3.93Å; L104-W177 HydrophobicContact CD2-CZ2 3.93Å; L104-W177 HydrophobicContact CD2-CZ3 3.8Å; L104-W177 HydrophobicContact CG-CE3 4.38Å; L104-W177 HydrophobicContact CG-CZ3 4.43Å |
| 105 | V | 95.8 | Very high | 81.4 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | V90 Y91 A93 L103 L147 M149 | V90-V105 VanDerWaalsContact CA-O 3.32Å; V90-V105 WeakPolarHBondContact CA-O 3.38Å; Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.22Å; Y91-V105 HydrophobicContact CE1-CG1 4.14Å; Y91-V105 HydrophobicContact CE2-CB 3.87Å; Y91-V105 HydrophobicContact CE2-CG1 4.25Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 3Å; Y91-V105 PolarHBondContact O-N 2.83Å; A93-V105 HydrophobicContact CB-CG2 3.7Å; L103-V105 HydrophobicContact CD2-CG2 4.29Å; L103-V105 HydrophobicContact CG-CG2 4.34Å; V105-L147 HydrophobicContact CG1-CB 4.44Å; V105-L147 HydrophobicContact CG1-CD2 4.25Å; V105-M149 HydrophobicContact CG1-CG 4.34Å; V105-M149 HydrophobicContact CG2-CG 4.26Å |
| 106 | C | 97.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105 | 163.7 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | V90 W120 V148 C162 | V90-C106 HydrophobicContact CG2-CB 4.29Å; C106-W120 HydrophobicContact CB-CH2 4.19Å; C106-W120 HydrophobicContact CB-CZ2 3.56Å; C106-V148 WeakPolarHBondContact CB-O 3.44Å; C106-V148 PolarHBondContact N-O 2.67Å; C106-V148 PolarHBondContact O-N 2.97Å; C106-C162 HydrophobicContact CB-CB 3.62Å; C106-C162 WeakPolarHBondContact CB-SG 3.4Å; C106-C162 WeakPolarHBondContact SG-CB 3.41Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.26Å |
| 107 | S | 98.1 | Very high | 85.4 | Confident | 22 Ų | 22 | 54 Ų | 54 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.4 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | V88 T89 | V88-S107 WeakPolarHBondContact CA-O 3.24Å; T89-S107 PolarHBondContact N-O 3.42Å; T89-S107 PolarHBondContact O-N 2.81Å |
| 108 | V | 98.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119 | 176.9 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | P86 Q87 V88 F111 I116 V118 Q145 T146 V164 | P86-V108 HydrophobicContact CB-CG1 3.45Å; P86-V108 VanDerWaalsContact CB-CG1 3.45Å; P86-V108 HydrophobicContact CG-CG1 4.47Å; Q87-V108 WeakPolarHBondContact O-CA 3.47Å; V88-V108 HydrophobicContact CG1-CG2 4.42Å; V88-V108 HydrophobicContact CG2-CG1 4.37Å; V88-V108 HydrophobicContact CG2-CG2 4.46Å; V108-F111 HydrophobicContact CB-CE1 4.3Å; V108-F111 HydrophobicContact CG1-CD1 3.75Å; V108-F111 HydrophobicContact CG1-CE1 3.76Å; V108-I116 HydrophobicContact CB-CD1 4.49Å; V108-I116 HydrophobicContact CG1-CD1 3.52Å; V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.04Å; V108-Q145 CarbonylContact O-C 3.57Å; V108-Q145 VanDerWaalsContact O-CA 3.23Å; V108-Q145 WeakPolarHBondContact O-CA 3.39Å; V108-T146 HydrophobicContact CB-CG2 4.06Å; V108-T146 PolarHBondContact N-O 2.83Å; V108-T146 PolarHBondContact O-N 3Å; V108-V164 HydrophobicContact CG1-CG1 4.22Å; V108-V164 HydrophobicContact CG2-CG2 3.76Å |
| 109 | S | 98.2 | Very high | 89.8 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.9 | -169.6 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | P86 Q87 F111 | P86-S109 WeakPolarHBondContact CA-O 3.4Å; Q87-S109 PolarHBondContact N-O 2.61Å; Q87-S109 PolarHBondContact O-N 3.46Å; S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact O-N 3.18Å |
| 110 | G | 97.9 | Very high | 92 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.2 | 16.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V84 F144 | V84-G110 WeakPolarHBondContact CG1-O 3.37Å; G110-F144 PolarHBondContact N-O 2.84Å |
| 111 | F | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 159.8 | -175.1 | 62.7 | -88 | 0 | 0 | 0 | 113.6 | V84 P86 V108 S109 P113 I116 L136 T143 F144 T146 H166 | V84-F111 WeakPolarHBondContact O-CA 3.27Å; P86-F111 HydrophobicContact CB-CB 3.76Å; P86-F111 HydrophobicContact CB-CD1 4.09Å; P86-F111 HydrophobicContact CB-CG 4.2Å; P86-F111 HydrophobicContact CG-CB 4.36Å; V108-F111 HydrophobicContact CB-CE1 4.3Å; V108-F111 HydrophobicContact CG1-CD1 3.75Å; V108-F111 HydrophobicContact CG1-CE1 3.76Å; S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact O-N 3.18Å; F111-P113 WeakPolarHBondContact CD2-O 3.35Å; F111-I116 HydrophobicContact CD1-CD1 4.01Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.93Å; F111-I116 HydrophobicContact CE1-CD1 3.78Å; F111-I116 HydrophobicContact CE2-CB 3.89Å; F111-I116 HydrophobicContact CE2-CD1 3.71Å; F111-I116 HydrophobicContact CE2-CG1 4.4Å; F111-I116 HydrophobicContact CE2-CG2 3.81Å; F111-I116 HydrophobicContact CG-CD1 4.09Å; F111-I116 HydrophobicContact CZ-CB 4.3Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.85Å; F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.75Å; F111-T143 CarbonylContact O-C 3.44Å; F111-T143 WeakPolarHBondContact O-CA 3.14Å; F111-F144 WeakPolarHBondContact CD1-O 3.45Å; F111-F144 HydrophobicContact CD2-CB 3.97Å; F111-F144 HydrophobicContact CE1-CB 4.18Å; F111-F144 WeakPolarHBondContact CE1-O 3.48Å; F111-F144 HydrophobicContact CE2-CB 3.59Å; F111-F144 HydrophobicContact CE2-CG 4.43Å; F111-F144 HydrophobicContact CG-CB 4.41Å; F111-F144 HydrophobicContact CZ-CB 3.69Å; F111-F144 PolarHBondContact N-O 3.17Å; F111-F144 WeakPolarHBondContact O-CD2 3.34Å; F111-F144 PolarHBondContact O-N 2.8Å; F111-T146 HydrophobicContact CE1-CG2 4.34Å; F111-T146 HydrophobicContact CZ-CG2 4.25Å; F111-H166 AromaticContact CD2-CD2 3.9Å; F111-H166 AromaticContact CD2-NE2 3.77Å |
| 112 | Y | 98.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -157.2 | 138 | 172 | -176.6 | -79.4 | 0 | 0 | 0 | 109.4 | T79 R82 R83 V84 W142 F144 H166 | T79-Y112 WeakPolarHBondContact O-CE1 3.13Å; T79-Y112 PolarHBondContact O-OH 2.99Å; R82-Y112 HydrophobicContact CB-CD1 3.91Å; R82-Y112 HydrophobicContact CB-CE1 3.77Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.44Å; R82-Y112 VanDerWaalsContact O-CD1 3.31Å; R82-Y112 WeakPolarHBondContact O-CD1 3.25Å; R83-Y112 CarbonylContact C-O 3.52Å; R83-Y112 WeakPolarHBondContact CA-O 3.43Å; V84-Y112 PolarHBondContact N-O 2.74Å; V84-Y112 PolarHBondContact O-N 2.64Å; Y112-W142 WeakPolarHBondContact CD2-O 3.15Å; Y112-W142 HydrophobicContact CE2-CE3 4.34Å; Y112-F144 HydrophobicContact CD2-CD2 4.03Å; Y112-F144 AromaticContact CD2-CE2 3.55Å; Y112-F144 HydrophobicContact CD2-CE2 3.55Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.44Å; Y112-H166 PolarHBondContact O-CE1 3.34Å; Y112-H166 PolarHBondContact O-NE2 3.48Å |
| 113 | P | 97.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | S | Bend | cis | -75.9 | 180 | 4.9 | 33.9 | -39 | 0 | 0 | 0 | 112.9 | F111 S115 H166 P167 | F111-P113 WeakPolarHBondContact CD2-O 3.35Å; P113-S115 PolarHBondContact O-N 3.44Å; P113-H166 PolarHBondContact O-NE2 2.89Å; P113-P167 HydrophobicContact CG-CG 4.46Å |
| 114 | G | 97.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -70.8 | -14 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I116 L136 F144 | G114-I116 PolarHBondContact O-N 3.32Å; G114-L136 WeakPolarHBondContact O-CD1 3.46Å; G114-F144 VanDerWaalsContact N-CE2 3.32Å |
| 115 | S | 96.8 | Very high | 97.4 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | trans | -70.7 | 112.1 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | P113 H166 P167 | P113-S115 PolarHBondContact O-N 3.44Å; S115-H166 PolarHBondContact O-CD2 3.22Å; S115-H166 VanDerWaalsContact O-CD2 3.32Å; S115-P167 VanDerWaalsContact O-CD 3.26Å; S115-P167 WeakPolarHBondContact O-CD 3.38Å | ||
| 116 | I | 98.2 | Very high | 97.5 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | trans | -147.6 | 147.9 | -176.1 | -165.8 | 168.4 | 0 | 0 | 0 | 110.1 | V108 F111 G114 V118 T146 V164 E165 H166 | V108-I116 HydrophobicContact CB-CD1 4.49Å; V108-I116 HydrophobicContact CG1-CD1 3.52Å; F111-I116 HydrophobicContact CD1-CD1 4.01Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.93Å; F111-I116 HydrophobicContact CE1-CD1 3.78Å; F111-I116 HydrophobicContact CE2-CB 3.89Å; F111-I116 HydrophobicContact CE2-CD1 3.71Å; F111-I116 HydrophobicContact CE2-CG1 4.4Å; F111-I116 HydrophobicContact CE2-CG2 3.81Å; F111-I116 HydrophobicContact CG-CD1 4.09Å; F111-I116 HydrophobicContact CZ-CB 4.3Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.85Å; G114-I116 PolarHBondContact O-N 3.32Å; I116-V118 HydrophobicContact CD1-CG2 4.16Å; I116-V118 HydrophobicContact CG1-CG2 4.08Å; I116-T146 HydrophobicContact CG2-CG2 4.5Å; I116-V164 HydrophobicContact CD1-CG1 3.7Å; I116-V164 HydrophobicContact CG1-CG1 3.93Å; I116-E165 WeakPolarHBondContact CG1-O 3.35Å; I116-H166 HydrophobicContact CG1-CB 4.3Å | ||
| 117 | E | 98.1 | Very high | 97.4 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.5 | 169.7 | -172.3 | 178.7 | 161.9 | 0 | 0 | 109.2 | R119 V164 E165 | E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 WeakPolarHBondContact OE1-CD 3.34Å; E117-R119 IonicContact OE1-CZ 3.66Å; E117-R119 IonicContact OE1-NE 2.64Å; E117-R119 IonicContact OE1-NH1 3.51Å; E117-R119 PolarHBondContact OE1-NH1 2.99Å; E117-R119 IonicContact OE2-NH1 3.44Å; E117-V164 WeakPolarHBondContact O-CA 3.14Å; E117-E165 HydrophobicContact CB-CB 4.26Å; E117-E165 PolarHBondContact N-O 3.41Å; E117-E165 PolarHBondContact O-N 3.3Å |
| 118 | V | 98.5 | Very high | 97.3 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.1 | -178.2 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | V108 I116 T146 V148 Q163 V164 | V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.04Å; I116-V118 HydrophobicContact CD1-CG2 4.16Å; I116-V118 HydrophobicContact CG1-CG2 4.08Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; V118-V148 HydrophobicContact CB-CB 4.45Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.82Å; V118-V148 HydrophobicContact CG1-CG1 4.32Å; V118-V148 HydrophobicContact CG1-CG2 3.6Å; V118-V148 HydrophobicContact CG2-CG2 4.33Å; V118-Q163 CarbonylContact C-O 3.46Å; V118-Q163 WeakPolarHBondContact CA-O 3.43Å; V118-V164 HydrophobicContact CG1-CG2 4.22Å; V118-V164 HydrophobicContact CG2-CG1 4.37Å; V118-V164 HydrophobicContact CG2-CG2 4.19Å |
| 119 | R | 98.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.6 | -176.3 | -65.3 | -174.2 | -65 | -132.3 | 5.8 | 111.1 | E117 F121 E126 Q163 E165 | E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 WeakPolarHBondContact OE1-CD 3.34Å; E117-R119 IonicContact OE1-CZ 3.66Å; E117-R119 IonicContact OE1-NE 2.64Å; E117-R119 IonicContact OE1-NH1 3.51Å; E117-R119 PolarHBondContact OE1-NH1 2.99Å; E117-R119 IonicContact OE2-NH1 3.44Å; R119-F121 HydrophobicContact CB-CD2 4.43Å; R119-F121 HydrophobicContact CB-CE2 3.73Å; R119-F121 HydrophobicContact CB-CZ 4.45Å; R119-E126 WeakPolarHBondContact CD-OE1 3.34Å; R119-Q163 PolarHBondContact N-O 2.8Å; R119-Q163 PolarHBondContact O-N 3.32Å; R119-E165 IonicContact CZ-OE1 2.84Å; R119-E165 IonicContact NH1-OE1 3.5Å; R119-E165 IonicContact NH2-OE1 3.18Å; R119-E165 PolarHBondContact NH2-OE1 2.84Å |
| 120 | W | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.2 | 170.3 | -84 | 108 | 0 | 0 | 0 | 110.6 | V90 L104 C106 E126 E127 V131 V148 L150 T161 C162 | V90-W120 HydrophobicContact CG1-CH2 3.64Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.19Å; L104-W120 HydrophobicContact CB-CH2 3.86Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; C106-W120 HydrophobicContact CB-CH2 4.19Å; C106-W120 HydrophobicContact CB-CZ2 3.56Å; W120-E126 WeakPolarHBondContact O-CA 3.35Å; W120-E127 HydrophobicContact CB-CB 4.4Å; W120-E127 PolarHBondContact O-N 3.15Å; W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.43Å; W120-V148 PolarHBondContact NE1-O 3.23Å; W120-L150 HydrophobicContact CB-CD2 4.42Å; W120-L150 HydrophobicContact CD2-CB 4.11Å; W120-L150 HydrophobicContact CD2-CD2 4.19Å; W120-L150 HydrophobicContact CE3-CD2 4.31Å; W120-L150 HydrophobicContact CG-CB 4.12Å; W120-L150 HydrophobicContact CG-CD2 4.27Å; W120-L150 HydrophobicContact CZ2-CB 4.41Å; W120-T161 CarbonylContact C-O 3.58Å; W120-C162 HydrophobicContact CE3-CB 4.35Å; W120-C162 HydrophobicContact CH2-CB 4.29Å; W120-C162 HydrophobicContact CZ3-CB 4.15Å |
| 121 | F | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.4 | 170.6 | -65.5 | -103.3 | 0 | 0 | 0 | 109.7 | 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 4.45Å; F121-Q125 CarbonylContact C-O 3.5Å; F121-Q125 WeakPolarHBondContact CA-O 3.34Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.36Å; F121-Y160 CarbonylContact O-C 3.57Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.49Å; F121-T161 PolarHBondContact N-O 3.23Å; F121-T161 PolarHBondContact O-N 3.22Å; F121-Q163 HydrophobicContact CD2-CB 4.06Å; F121-Q163 HydrophobicContact CE2-CB 3.71Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.3Å |
| 122 | R | 95.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 64.1 Ų | 64.1 | 27% | 0.272 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.1 | 172.4 | -178.4 | -178 | -179.4 | 178.6 | 2.8 | 108.4 | G124 Q125 E158 Y160 | R122-G124 PolarHBondContact O-N 3.39Å; R122-G124 VanDerWaalsContact O-N 3.14Å; R122-Q125 PolarHBondContact N-O 2.88Å; R122-Q125 PolarHBondContact O-N 3.04Å; R122-E158 IonicContact CZ-OE1 3.76Å; R122-E158 IonicContact NE-OE1 2.76Å; R122-E158 PolarHBondContact NE-OE1 3.28Å; R122-E158 IonicContact NE-OE2 3.76Å; R122-E158 IonicContact NH2-OE1 3.53Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.47Å; R122-Y160 HydrophobicContact CB-CD1 4.32Å; R122-Y160 HydrophobicContact CB-CE1 4.24Å; R122-Y160 HydrophobicContact CG-CD1 4.3Å; R122-Y160 HydrophobicContact CG-CE1 3.86Å; R122-Y160 PolarHBondContact NE-OH 3.22Å |
| 123 | N | 94.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 37.7 | -176.2 | -57.1 | -32.6 | 0 | 0 | 0 | 112.8 | Q125 V159 | N123-Q125 VanDerWaalsContact C-N 3.34Å; N123-Q125 PolarHBondContact O-N 3.18Å; N123-V159 PolarHBondContact N-O 3.43Å; N123-V159 PolarHBondContact OD1-N 2.78Å; N123-V159 PolarHBondContact OD1-O 3.5Å |
| 124 | G | 94 | Very high | 96.4 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 58% | 0.577 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | R122 | R122-G124 PolarHBondContact O-N 3.39Å; R122-G124 VanDerWaalsContact O-N 3.14Å |
| 125 | Q | 96.9 | Very high | 96.3 | Very high | 149 Ų | 149 | 68 Ų | 68 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136 | 174.1 | -65.4 | -66.5 | -35.2 | 0 | 0 | 110.2 | F121 R122 N123 E127 | F121-Q125 CarbonylContact C-O 3.5Å; F121-Q125 WeakPolarHBondContact CA-O 3.34Å; R122-Q125 PolarHBondContact N-O 2.88Å; R122-Q125 PolarHBondContact O-N 3.04Å; N123-Q125 VanDerWaalsContact C-N 3.34Å; N123-Q125 PolarHBondContact O-N 3.18Å; Q125-E127 PolarHBondContact O-N 3.23Å |
| 126 | E | 97.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.4 | 178.4 | -167.8 | -172.3 | 179.8 | 0 | 0 | 110.2 | R119 W120 F121 K128 | R119-E126 WeakPolarHBondContact CD-OE1 3.34Å; W120-E126 WeakPolarHBondContact O-CA 3.35Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.35Å; F121-E126 HydrophobicContact CZ-CG 4.36Å; E126-K128 WeakPolarHBondContact OE1-CE 3.44Å; E126-K128 IonicContact OE1-NZ 3.65Å; E126-K128 WeakPolarHBondContact OE2-CE 3.12Å; E126-K128 IonicContact OE2-NZ 3.44Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å |
| 127 | E | 96.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.5 | 177.9 | -176.3 | 61.6 | -94.8 | 0 | 0 | 109.5 | W120 Q125 T129 V131 L150 | W120-E127 HydrophobicContact CB-CB 4.4Å; W120-E127 PolarHBondContact O-N 3.15Å; Q125-E127 PolarHBondContact O-N 3.23Å; E127-T129 WeakPolarHBondContact OE1-CB 3.3Å; E127-T129 PolarHBondContact OE1-N 3.21Å; E127-T129 PolarHBondContact OE1-OG1 3.32Å; E127-V131 WeakPolarHBondContact O-CG2 3.41Å; E127-L150 HydrophobicContact CG-CD1 3.7Å; E127-L150 HydrophobicContact CG-CD2 4.37Å |
| 128 | K | 96.1 | Very high | 96.3 | Very high | 145 Ų | 145 | 70.8 Ų | 70.8 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | trans | -115.4 | -21.8 | 178.4 | -63.2 | -176.6 | -177.9 | 176.9 | 0 | 111.9 | E126 V131 | E126-K128 WeakPolarHBondContact OE1-CE 3.44Å; E126-K128 IonicContact OE1-NZ 3.65Å; E126-K128 WeakPolarHBondContact OE2-CE 3.12Å; E126-K128 IonicContact OE2-NZ 3.44Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å; K128-V131 PolarHBondContact O-N 2.85Å | ||
| 129 | T | 94.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 72.1 Ų | 72.1 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 130.8 | -176.7 | -48.4 | 0 | 0 | 0 | 0 | 109.2 | E127 V131 L150 | E127-T129 WeakPolarHBondContact OE1-CB 3.3Å; E127-T129 PolarHBondContact OE1-N 3.21Å; E127-T129 PolarHBondContact OE1-OG1 3.32Å; T129-V131 PolarHBondContact O-N 3.22Å; T129-L150 WeakPolarHBondContact O-CD1 3.48Å |
| 130 | G | 91.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 32% | 0.32 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 12.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | L150 E151 | G130-L150 WeakPolarHBondContact O-CA 3.21Å; G130-E151 PolarHBondContact O-N 2.93Å |
| 131 | V | 96.3 | Very high | 96 | Very high | 49 Ų | 49 | 77.7 Ų | 77.7 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.4 | 173.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | W120 E127 K128 T129 V148 M149 L150 | W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.43Å; E127-V131 WeakPolarHBondContact O-CG2 3.41Å; K128-V131 PolarHBondContact O-N 2.85Å; T129-V131 PolarHBondContact O-N 3.22Å; V131-V148 HydrophobicContact CG1-CG1 3.56Å; V131-M149 CarbonylContact C-O 3.49Å; V131-M149 VanDerWaalsContact CA-O 3.25Å; V131-M149 WeakPolarHBondContact CA-O 3.2Å; V131-L150 HydrophobicContact CG2-CD1 3.76Å |
| 132 | V | 95.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 83.3 Ų | 83.3 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.1 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | M149 | V132-M149 HydrophobicContact CB-CE 4.24Å; V132-M149 HydrophobicContact CG1-CE 4.02Å; V132-M149 PolarHBondContact N-O 2.8Å; V132-M149 PolarHBondContact O-N 2.82Å |
| 133 | S | 96.6 | Very high | 96 | Very high | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 111 | G135 T146 L147 | S133-G135 PolarHBondContact O-N 2.9Å; S133-G135 PolarHBondContact OG-N 3.47Å; S133-T146 PolarHBondContact OG-OG1 2.82Å; S133-L147 VanDerWaalsContact CA-O 3.32Å; S133-L147 WeakPolarHBondContact CA-O 3.42Å |
| 134 | T | 96 | Very high | 96.2 | Very high | 65 Ų | 65 | 77.3 Ų | 77.3 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | trans | -70.5 | -8.6 | 168 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | L147 M149 | T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.26Å; T134-L147 PolarHBondContact N-O 2.96Å; T134-L147 PolarHBondContact OG1-N 2.97Å; T134-M149 HydrophobicContact CG2-CE 4.16Å | ||
| 135 | G | 96.4 | Very high | 96.4 | Very high | 34 Ų | 34 | 77.8 Ų | 77.8 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | trans | 71.9 | -170.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S133 T146 | S133-G135 PolarHBondContact O-N 2.9Å; S133-G135 PolarHBondContact OG-N 3.47Å; G135-T146 WeakPolarHBondContact O-CB 3.28Å; G135-T146 PolarHBondContact O-OG1 3.41Å | ||
| 136 | L | 97.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 71 Ų | 71 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | trans | -84.2 | 125.9 | -177.7 | -170.4 | 70.2 | 0 | 0 | 0 | 110.6 | F111 G114 F144 | F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.75Å; G114-L136 WeakPolarHBondContact O-CD1 3.46Å; L136-F144 HydrophobicContact CD1-CB 3.72Å; L136-F144 HydrophobicContact CD1-CD1 3.67Å; L136-F144 HydrophobicContact CD1-CE1 4.46Å; L136-F144 HydrophobicContact CD1-CG 3.91Å; L136-F144 HydrophobicContact CD2-CD1 3.58Å; L136-F144 HydrophobicContact CD2-CE1 3.52Å; L136-F144 HydrophobicContact CD2-CG 4.39Å; L136-F144 HydrophobicContact CD2-CZ 4.39Å; L136-F144 HydrophobicContact CG-CB 4.45Å; L136-F144 HydrophobicContact CG-CD1 3.5Å; L136-F144 VanDerWaalsContact CG-CD1 3.5Å; L136-F144 HydrophobicContact CG-CE1 3.97Å; L136-F144 HydrophobicContact CG-CG 4.25Å | ||
| 137 | I | 97.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 69 Ų | 69 | 33% | 0.328 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.3 | 178.4 | -59.6 | 165.1 | 0 | 0 | 0 | 108.7 | F144 Q145 | I137-F144 VanDerWaalsContact O-CA 3.3Å; I137-F144 WeakPolarHBondContact O-CA 3.39Å; I137-Q145 HydrophobicContact CB-CG 3.66Å; I137-Q145 WeakPolarHBondContact CB-O 3.31Å; I137-Q145 HydrophobicContact CD1-CG 4.16Å; I137-Q145 HydrophobicContact CG1-CG 4.47Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 2.73Å; I137-Q145 PolarHBondContact O-N 2.73Å |
| 138 | H | 97.1 | Very high | 96.6 | Very high | 139 Ų | 139 | 67.1 Ų | 67.1 | 64% | 0.644 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.3 | 176.1 | -68.6 | -110.4 | 0 | 0 | 0 | 110.5 | F144 | H138-F144 AromaticContact CD2-CE1 3.93Å; H138-F144 AromaticContact CE1-CE1 3.24Å; H138-F144 WeakPolarHBondContact CE1-CE1 3.37Å; H138-F144 AromaticContact CE1-CZ 3.81Å; H138-F144 AromaticContact CG-CE1 3.71Å; H138-F144 AromaticContact ND1-CE1 3.24Å; H138-F144 WeakPolarHBondContact ND1-CE1 3.4Å; H138-F144 AromaticContact ND1-CZ 3.84Å; H138-F144 AromaticContact NE2-CE1 3.65Å |
| 139 | N | 96.6 | Very high | 96.5 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | trans | -84.3 | -16.7 | -175.8 | -65.4 | -22.9 | 0 | 0 | 0 | 114.1 | D141 T143 Q145 | N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 WeakPolarHBondContact CB-OD1 3.47Å; N139-T143 WeakPolarHBondContact CB-O 3.41Å; N139-T143 PolarHBondContact N-O 2.88Å; N139-T143 VanDerWaalsContact N-O 3.16Å; N139-T143 PolarHBondContact ND2-OG1 2.81Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.4Å; N139-Q145 PolarHBondContact OD1-NE2 3.23Å | ||
| 140 | G | 95.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 83% | 0.825 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 84 | -3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 141 | D | 96.2 | Very high | 96.6 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -111.8 | 23.7 | 179.9 | 69.8 | -8.5 | 0 | 0 | 0 | 113.1 | N139 T143 | N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 WeakPolarHBondContact CB-OD1 3.47Å; D141-T143 PolarHBondContact O-N 2.85Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 3.33Å; D141-T143 PolarHBondContact OD1-OG1 2.92Å; D141-T143 PolarHBondContact OD2-OG1 3Å |
| 142 | W | 95.4 | Very high | 96.2 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 65.5 | 21.2 | -172.8 | -60.7 | 74.6 | 0 | 0 | 0 | 114.9 | T79 Y112 | T79-W142 HydrophobicContact CG2-CH2 4.1Å; T79-W142 HydrophobicContact CG2-CZ3 4Å; Y112-W142 WeakPolarHBondContact CD2-O 3.15Å; Y112-W142 HydrophobicContact CE2-CE3 4.34Å |
| 143 | T | 98 | Very high | 95.7 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | trans | -123.2 | 165.6 | 168.9 | 73.6 | 0 | 0 | 0 | 0 | 112 | F111 N139 D141 | F111-T143 CarbonylContact O-C 3.44Å; F111-T143 WeakPolarHBondContact O-CA 3.14Å; N139-T143 WeakPolarHBondContact CB-O 3.41Å; N139-T143 PolarHBondContact N-O 2.88Å; N139-T143 VanDerWaalsContact N-O 3.16Å; N139-T143 PolarHBondContact ND2-OG1 2.81Å; D141-T143 PolarHBondContact O-N 2.85Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 3.33Å; D141-T143 PolarHBondContact OD1-OG1 2.92Å; D141-T143 PolarHBondContact OD2-OG1 3Å | ||
| 144 | F | 98.5 | Very high | 95 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.096 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 160.1 | 179.3 | -65.1 | -86.4 | 0 | 0 | 0 | 111.3 | G110 F111 Y112 G114 L136 I137 H138 | G110-F144 PolarHBondContact N-O 2.84Å; F111-F144 WeakPolarHBondContact CD1-O 3.45Å; F111-F144 HydrophobicContact CD2-CB 3.97Å; F111-F144 HydrophobicContact CE1-CB 4.18Å; F111-F144 WeakPolarHBondContact CE1-O 3.48Å; F111-F144 HydrophobicContact CE2-CB 3.59Å; F111-F144 HydrophobicContact CE2-CG 4.43Å; F111-F144 HydrophobicContact CG-CB 4.41Å; F111-F144 HydrophobicContact CZ-CB 3.69Å; F111-F144 PolarHBondContact N-O 3.17Å; F111-F144 WeakPolarHBondContact O-CD2 3.34Å; F111-F144 PolarHBondContact O-N 2.8Å; Y112-F144 HydrophobicContact CD2-CD2 4.03Å; Y112-F144 AromaticContact CD2-CE2 3.55Å; Y112-F144 HydrophobicContact CD2-CE2 3.55Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.44Å; G114-F144 VanDerWaalsContact N-CE2 3.32Å; L136-F144 HydrophobicContact CD1-CB 3.72Å; L136-F144 HydrophobicContact CD1-CD1 3.67Å; L136-F144 HydrophobicContact CD1-CE1 4.46Å; L136-F144 HydrophobicContact CD1-CG 3.91Å; L136-F144 HydrophobicContact CD2-CD1 3.58Å; L136-F144 HydrophobicContact CD2-CE1 3.52Å; L136-F144 HydrophobicContact CD2-CG 4.39Å; L136-F144 HydrophobicContact CD2-CZ 4.39Å; L136-F144 HydrophobicContact CG-CB 4.45Å; L136-F144 HydrophobicContact CG-CD1 3.5Å; L136-F144 VanDerWaalsContact CG-CD1 3.5Å; L136-F144 HydrophobicContact CG-CE1 3.97Å; L136-F144 HydrophobicContact CG-CG 4.25Å; I137-F144 VanDerWaalsContact O-CA 3.3Å; I137-F144 WeakPolarHBondContact O-CA 3.39Å; H138-F144 AromaticContact CD2-CE1 3.93Å; H138-F144 AromaticContact CE1-CE1 3.24Å; H138-F144 WeakPolarHBondContact CE1-CE1 3.37Å; H138-F144 AromaticContact CE1-CZ 3.81Å; H138-F144 AromaticContact CG-CE1 3.71Å; H138-F144 AromaticContact ND1-CE1 3.24Å; H138-F144 WeakPolarHBondContact ND1-CE1 3.4Å; H138-F144 AromaticContact ND1-CZ 3.84Å; H138-F144 AromaticContact NE2-CE1 3.65Å |
| 145 | Q | 98.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.8 | 167.2 | 67.5 | -178.9 | -60 | 0 | 0 | 111.3 | V108 I137 N139 | V108-Q145 CarbonylContact O-C 3.57Å; V108-Q145 VanDerWaalsContact O-CA 3.23Å; V108-Q145 WeakPolarHBondContact O-CA 3.39Å; I137-Q145 HydrophobicContact CB-CG 3.66Å; I137-Q145 WeakPolarHBondContact CB-O 3.31Å; I137-Q145 HydrophobicContact CD1-CG 4.16Å; I137-Q145 HydrophobicContact CG1-CG 4.47Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 2.73Å; I137-Q145 PolarHBondContact O-N 2.73Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.4Å; N139-Q145 PolarHBondContact OD1-NE2 3.23Å |
| 146 | T | 98.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 146.5 | 171.4 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | V108 F111 I116 V118 S133 G135 | V108-T146 HydrophobicContact CB-CG2 4.06Å; V108-T146 PolarHBondContact N-O 2.83Å; V108-T146 PolarHBondContact O-N 3Å; F111-T146 HydrophobicContact CE1-CG2 4.34Å; F111-T146 HydrophobicContact CZ-CG2 4.25Å; I116-T146 HydrophobicContact CG2-CG2 4.5Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; S133-T146 PolarHBondContact OG-OG1 2.82Å; G135-T146 WeakPolarHBondContact O-CB 3.28Å; G135-T146 PolarHBondContact O-OG1 3.41Å |
| 147 | L | 97.8 | Very high | 93 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.5 | 171.7 | -54.3 | 176.6 | 0 | 0 | 0 | 108.2 | V105 S133 T134 | V105-L147 HydrophobicContact CG1-CB 4.44Å; V105-L147 HydrophobicContact CG1-CD2 4.25Å; S133-L147 VanDerWaalsContact CA-O 3.32Å; S133-L147 WeakPolarHBondContact CA-O 3.42Å; T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.26Å; T134-L147 PolarHBondContact N-O 2.96Å; T134-L147 PolarHBondContact OG1-N 2.97Å |
| 148 | V | 97.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 110.3 | 172.6 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | C106 V118 W120 V131 | C106-V148 WeakPolarHBondContact CB-O 3.44Å; C106-V148 PolarHBondContact N-O 2.67Å; C106-V148 PolarHBondContact O-N 2.97Å; V118-V148 HydrophobicContact CB-CB 4.45Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.82Å; V118-V148 HydrophobicContact CG1-CG1 4.32Å; V118-V148 HydrophobicContact CG1-CG2 3.6Å; V118-V148 HydrophobicContact CG2-CG2 4.33Å; W120-V148 PolarHBondContact NE1-O 3.23Å; V131-V148 HydrophobicContact CG1-CG1 3.56Å |
| 149 | M | 95.8 | Very high | 92.5 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.8 | -171.5 | -59.1 | 166.7 | -75.2 | 0 | 0 | 109.6 | L103 L104 V105 V131 V132 T134 | L103-M149 HydrophobicContact CD1-CB 3.9Å; L103-M149 HydrophobicContact CD2-CB 4.24Å; L103-M149 HydrophobicContact CD2-CG 4.2Å; L103-M149 HydrophobicContact CD2-SD 3.94Å; L103-M149 HydrophobicContact CG-CB 4.06Å; L103-M149 HydrophobicContact CG-CG 4.47Å; L104-M149 CarbonylContact O-C 3.6Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; V105-M149 HydrophobicContact CG1-CG 4.34Å; V105-M149 HydrophobicContact CG2-CG 4.26Å; V131-M149 CarbonylContact C-O 3.49Å; V131-M149 VanDerWaalsContact CA-O 3.25Å; V131-M149 WeakPolarHBondContact CA-O 3.2Å; V132-M149 HydrophobicContact CB-CE 4.24Å; V132-M149 HydrophobicContact CG1-CE 4.02Å; V132-M149 PolarHBondContact N-O 2.8Å; V132-M149 PolarHBondContact O-N 2.82Å; T134-M149 HydrophobicContact CG2-CE 4.16Å |
| 150 | L | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.9 | 174.7 | 171.5 | 64.6 | 0 | 0 | 0 | 109.1 | L104 W120 E127 T129 G130 V131 T152 Y160 | L104-L150 HydrophobicContact CB-CB 4.4Å; L104-L150 PolarHBondContact N-O 2.88Å; L104-L150 PolarHBondContact O-N 3.05Å; W120-L150 HydrophobicContact CB-CD2 4.42Å; W120-L150 HydrophobicContact CD2-CB 4.11Å; W120-L150 HydrophobicContact CD2-CD2 4.19Å; W120-L150 HydrophobicContact CE3-CD2 4.31Å; W120-L150 HydrophobicContact CG-CB 4.12Å; W120-L150 HydrophobicContact CG-CD2 4.27Å; W120-L150 HydrophobicContact CZ2-CB 4.41Å; E127-L150 HydrophobicContact CG-CD1 3.7Å; E127-L150 HydrophobicContact CG-CD2 4.37Å; T129-L150 WeakPolarHBondContact O-CD1 3.48Å; G130-L150 WeakPolarHBondContact O-CA 3.21Å; V131-L150 HydrophobicContact CG2-CD1 3.76Å; L150-T152 HydrophobicContact CD2-CG2 4.26Å; L150-T152 HydrophobicContact CG-CG2 4.15Å; L150-T152 PolarHBondContact O-N 2.81Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.88Å |
| 151 | E | 91.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 114.9 | 171.9 | -173.1 | 175.3 | -171.9 | 0 | 0 | 110 | H101 L103 G130 | H101-E151 HydrophobicContact CB-CG 4.13Å; H101-E151 IonicContact CD2-OE1 3.9Å; H101-E151 IonicContact CG-OE1 3.05Å; L103-E151 HydrophobicContact CD1-CB 4.34Å; G130-E151 PolarHBondContact O-N 2.93Å |
| 152 | T | 87.4 | Confident | 92.7 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 169.5 | -178 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | N102 L104 L150 P154 Y160 | N102-T152 CarbonylContact C-O 3.57Å; N102-T152 PolarHBondContact N-O 2.81Å; N102-T152 PolarHBondContact O-N 2.73Å; N102-T152 VanDerWaalsContact O-N 3.08Å; L104-T152 HydrophobicContact CD1-CG2 3.98Å; L104-T152 HydrophobicContact CG-CG2 4.21Å; L150-T152 HydrophobicContact CD2-CG2 4.26Å; L150-T152 HydrophobicContact CG-CG2 4.15Å; L150-T152 PolarHBondContact O-N 2.81Å; T152-P154 HydrophobicContact CG2-CG 4.06Å; T152-Y160 HydrophobicContact CG2-CE1 3.92Å; T152-Y160 PolarHBondContact OG1-OH 3.01Å; T152-Y160 VanDerWaalsContact OG1-OH 3.13Å |
| 153 | V | 84.8 | Confident | 92.8 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | trans | -117.4 | 89.7 | 169.3 | -173 | 0 | 0 | 0 | 0 | 107.4 | H100 H101 R155 | H100-V153 WeakPolarHBondContact O-CG2 3.39Å; H101-V153 WeakPolarHBondContact ND1-CG2 3.28Å; V153-R155 PolarHBondContact O-N 2.9Å | ||
| 154 | P | 82.8 | Confident | 92.8 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 126.6 | -173.3 | -20.2 | 29.5 | 0 | 0 | 0 | 112 | N102 T152 Y160 W177 A179 | N102-P154 HydrophobicContact CB-CG 4.14Å; T152-P154 HydrophobicContact CG2-CG 4.06Å; P154-Y160 HydrophobicContact CB-CE2 4.02Å; P154-W177 HydrophobicContact CB-CH2 3.84Å; P154-W177 HydrophobicContact CB-CZ3 3.71Å; P154-W177 HydrophobicContact CG-CH2 3.85Å; P154-W177 HydrophobicContact CG-CZ3 3.88Å; P154-A179 HydrophobicContact CB-CB 3.6Å |
| 155 | R | 82.8 | Confident | 92.8 | Very high | 177 Ų | 177 | 42.6 Ų | 42.6 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | P | Polyproline II helix | trans | -97.6 | 146.8 | 175.7 | -58.5 | 179.9 | 177.3 | -176.1 | -0.5 | 110.4 | V153 G157 E158 A179 | V153-R155 PolarHBondContact O-N 2.9Å; R155-G157 PolarHBondContact O-N 2.97Å; R155-E158 HydrophobicContact CB-CG 4.09Å; R155-E158 PolarHBondContact N-OE2 2.76Å; R155-E158 WeakPolarHBondContact O-CB 3.38Å; R155-E158 WeakPolarHBondContact O-CG 3.21Å; R155-E158 PolarHBondContact O-N 2.68Å; R155-A179 WeakPolarHBondContact O-CB 3.44Å |
| 156 | S | 81.9 | Confident | 92.9 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 70% | 0.699 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.6 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 157 | G | 83.9 | Confident | 92.8 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 66% | 0.66 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -10.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | R155 | R155-G157 PolarHBondContact O-N 2.97Š|
| 158 | E | 90.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -72.2 | 143.8 | 172.7 | -65.2 | -178.9 | 154.9 | 0 | 0 | 111.9 | R122 R155 Y160 A179 | R122-E158 IonicContact CZ-OE1 3.76Å; R122-E158 IonicContact NE-OE1 2.76Å; R122-E158 PolarHBondContact NE-OE1 3.28Å; R122-E158 IonicContact NE-OE2 3.76Å; R122-E158 IonicContact NH2-OE1 3.53Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.47Å; R155-E158 HydrophobicContact CB-CG 4.09Å; R155-E158 PolarHBondContact N-OE2 2.76Å; R155-E158 WeakPolarHBondContact O-CB 3.38Å; R155-E158 WeakPolarHBondContact O-CG 3.21Å; R155-E158 PolarHBondContact O-N 2.68Å; E158-Y160 HydrophobicContact CB-CD2 4.4Å; E158-Y160 HydrophobicContact CB-CE2 3.71Å; E158-Y160 PolarHBondContact OE2-OH 2.97Å; E158-A179 PolarHBondContact O-N 3.32Å; E158-A179 VanDerWaalsContact O-N 3.16Å | ||
| 159 | V | 93.5 | Very high | 92.8 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.2 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | N123 E176 R178 | N123-V159 PolarHBondContact N-O 3.43Å; N123-V159 PolarHBondContact OD1-N 2.78Å; N123-V159 PolarHBondContact OD1-O 3.5Å; V159-E176 HydrophobicContact CG1-CB 4.28Å; V159-E176 HydrophobicContact CG1-CG 4.26Å; V159-R178 HydrophobicContact CG1-CG 4.36Å; V159-R178 HydrophobicContact CG2-CG 4.22Å |
| 160 | Y | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.9 | 174.8 | -65.8 | -96.2 | 0 | 0 | 0 | 108.4 | L104 F121 R122 L150 T152 P154 E158 E176 W177 | L104-Y160 HydrophobicContact CD1-CD1 3.68Å; L104-Y160 HydrophobicContact CD1-CD2 3.84Å; L104-Y160 HydrophobicContact CD1-CE1 4.19Å; L104-Y160 HydrophobicContact CD1-CE2 4.35Å; L104-Y160 HydrophobicContact CD1-CG 3.48Å; L104-Y160 VanDerWaalsContact CD1-CG 3.48Å; F121-Y160 CarbonylContact O-C 3.57Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.49Å; R122-Y160 HydrophobicContact CB-CD1 4.32Å; R122-Y160 HydrophobicContact CB-CE1 4.24Å; R122-Y160 HydrophobicContact CG-CD1 4.3Å; R122-Y160 HydrophobicContact CG-CE1 3.86Å; R122-Y160 PolarHBondContact NE-OH 3.22Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.88Å; T152-Y160 HydrophobicContact CG2-CE1 3.92Å; T152-Y160 PolarHBondContact OG1-OH 3.01Å; T152-Y160 VanDerWaalsContact OG1-OH 3.13Å; P154-Y160 HydrophobicContact CB-CE2 4.02Å; E158-Y160 HydrophobicContact CB-CD2 4.4Å; E158-Y160 HydrophobicContact CB-CE2 3.71Å; E158-Y160 PolarHBondContact OE2-OH 2.97Å; Y160-E176 CarbonylContact O-C 3.51Å; Y160-E176 WeakPolarHBondContact O-CA 3.41Å; Y160-W177 AromaticContact CD2-CE3 3.81Å; Y160-W177 HydrophobicContact CD2-CE3 3.81Å; Y160-W177 AromaticContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CE2-CZ3 4.27Å; Y160-W177 HydrophobicContact CG-CE3 4.39Å; Y160-W177 PolarHBondContact N-O 3.14Å; Y160-W177 PolarHBondContact O-N 3.07Å |
| 161 | T | 97.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.1 | -178.5 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | W120 F121 T174 V175 E176 | W120-T161 CarbonylContact C-O 3.58Å; F121-T161 PolarHBondContact N-O 3.23Å; F121-T161 PolarHBondContact O-N 3.22Å; T161-T174 HydrophobicContact CG2-CG2 4.16Å; T161-V175 WeakPolarHBondContact CA-O 3.37Å; T161-E176 HydrophobicContact CG2-CG 4.44Å |
| 162 | C | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.7 | 164.5 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V90 C106 W120 T174 V175 | V90-C162 HydrophobicContact CG2-CB 3.6Å; C106-C162 HydrophobicContact CB-CB 3.62Å; C106-C162 WeakPolarHBondContact CB-SG 3.4Å; C106-C162 WeakPolarHBondContact SG-CB 3.41Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.26Å; W120-C162 HydrophobicContact CE3-CB 4.35Å; W120-C162 HydrophobicContact CH2-CB 4.29Å; W120-C162 HydrophobicContact CZ3-CB 4.15Å; C162-T174 WeakPolarHBondContact O-CA 3.48Å; C162-V175 PolarHBondContact N-O 3.07Å; C162-V175 PolarHBondContact O-N 2.93Å |
| 163 | Q | 98.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.8 | 175.8 | -175.3 | 177.6 | 69.4 | 0 | 0 | 109.7 | V118 R119 F121 P172 L173 T174 | V118-Q163 CarbonylContact C-O 3.46Å; V118-Q163 WeakPolarHBondContact CA-O 3.43Å; R119-Q163 PolarHBondContact N-O 2.8Å; R119-Q163 PolarHBondContact O-N 3.32Å; F121-Q163 HydrophobicContact CD2-CB 4.06Å; F121-Q163 HydrophobicContact CE2-CB 3.71Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.3Å; Q163-P172 HydrophobicContact CG-CB 3.68Å; Q163-L173 CarbonylContact C-O 3.56Å; Q163-L173 VanDerWaalsContact CA-O 3.26Å; Q163-L173 WeakPolarHBondContact CA-O 3.41Å; Q163-T174 HydrophobicContact CB-CG2 4.15Å; Q163-T174 HydrophobicContact CG-CG2 3.92Å |
| 164 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.3 | -177.9 | 180 | 0 | 0 | 0 | 0 | 109.7 | P86 V88 V108 I116 E117 V118 P172 L173 | P86-V164 HydrophobicContact CG-CG1 4.13Å; V88-V164 HydrophobicContact CG1-CG2 4.03Å; V88-V164 HydrophobicContact CG2-CB 4.21Å; V88-V164 HydrophobicContact CG2-CG2 3.74Å; V108-V164 HydrophobicContact CG1-CG1 4.22Å; V108-V164 HydrophobicContact CG2-CG2 3.76Å; I116-V164 HydrophobicContact CD1-CG1 3.7Å; I116-V164 HydrophobicContact CG1-CG1 3.93Å; E117-V164 WeakPolarHBondContact O-CA 3.14Å; V118-V164 HydrophobicContact CG1-CG2 4.22Å; V118-V164 HydrophobicContact CG2-CG1 4.37Å; V118-V164 HydrophobicContact CG2-CG2 4.19Å; V164-P172 CarbonylContact O-C 3.52Å; V164-P172 WeakPolarHBondContact O-CA 3.24Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 2.77Å; V164-L173 PolarHBondContact O-N 2.64Å |
| 165 | E | 98.5 | Very high | 94.9 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.3 | 169.6 | -57.4 | -169.7 | -175.1 | 0 | 0 | 109.6 | I116 E117 R119 P172 | I116-E165 WeakPolarHBondContact CG1-O 3.35Å; E117-E165 HydrophobicContact CB-CB 4.26Å; E117-E165 PolarHBondContact N-O 3.41Å; E117-E165 PolarHBondContact O-N 3.3Å; R119-E165 IonicContact CZ-OE1 2.84Å; R119-E165 IonicContact NH1-OE1 3.5Å; R119-E165 IonicContact NH2-OE1 3.18Å; R119-E165 PolarHBondContact NH2-OE1 2.84Å; E165-P172 HydrophobicContact CG-CB 4.03Å; E165-P172 HydrophobicContact CG-CG 4.02Å |
| 166 | H | 98.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | trans | -150 | 140.2 | -177.9 | -179.9 | -105.5 | 0 | 0 | 0 | 110.4 | V84 P86 F111 Y112 P113 S115 I116 S168 V169 | V84-H166 PolarHBondContact O-CE1 3.04Å; P86-H166 HydrophobicContact CG-CB 4.19Å; F111-H166 AromaticContact CD2-CD2 3.9Å; F111-H166 AromaticContact CD2-NE2 3.77Å; Y112-H166 PolarHBondContact O-CE1 3.34Å; Y112-H166 PolarHBondContact O-NE2 3.48Å; P113-H166 PolarHBondContact O-NE2 2.89Å; S115-H166 PolarHBondContact O-CD2 3.22Å; S115-H166 VanDerWaalsContact O-CD2 3.32Å; I116-H166 HydrophobicContact CG1-CB 4.3Å; H166-S168 PolarHBondContact CE1-OG 3.44Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.03Å; H166-S168 PolarHBondContact ND1-N 2.87Å; H166-S168 PolarHBondContact ND1-OG 2.9Å; H166-S168 PolarHBondContact O-N 3.18Å; H166-V169 HydrophobicContact CB-CG2 4.24Å; H166-V169 WeakPolarHBondContact O-CG2 3.33Å; H166-V169 PolarHBondContact O-N 2.89Å | ||
| 167 | P | 97.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -9.1 | -177.1 | -27.6 | 36.4 | 0 | 0 | 0 | 116.5 | P113 S115 | P113-P167 HydrophobicContact CG-CG 4.46Å; S115-P167 VanDerWaalsContact O-CD 3.26Å; S115-P167 WeakPolarHBondContact O-CD 3.38Å |
| 168 | S | 97.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.3 | 174.4 | 75.9 | 0 | 0 | 0 | 0 | 113.7 | H85 H166 | H85-S168 WeakPolarHBondContact CA-OG 3.42Å; H85-S168 PolarHBondContact CE1-O 2.85Å; H85-S168 PolarHBondContact NE2-O 2.78Å; H85-S168 VanDerWaalsContact NE2-O 3.12Å; H166-S168 PolarHBondContact CE1-OG 3.44Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.03Å; H166-S168 PolarHBondContact ND1-N 2.87Å; H166-S168 PolarHBondContact ND1-OG 2.9Å; H166-S168 PolarHBondContact O-N 3.18Å |
| 169 | V | 97.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | trans | -115.1 | 145.7 | -177 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | H85 H166 S171 L173 | H85-V169 WeakPolarHBondContact CD2-CG1 3.01Å; H166-V169 HydrophobicContact CB-CG2 4.24Å; H166-V169 WeakPolarHBondContact O-CG2 3.33Å; H166-V169 PolarHBondContact O-N 2.89Å; V169-S171 WeakPolarHBondContact CG2-O 3.45Å; V169-L173 HydrophobicContact CG1-CD1 4.23Å; V169-L173 HydrophobicContact CG1-CD2 4.33Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 HydrophobicContact CG2-CG 4.43Å | ||
| 170 | T | 96.3 | Very high | 94.9 | Very high | 156 Ų | 156 | 59 Ų | 59 | 96% | 0.957 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -85 | -23.1 | 179.7 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 171 | S | 96.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -129.3 | 152.2 | 175.5 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | V169 L173 | V169-S171 WeakPolarHBondContact CG2-O 3.45Å; S171-L173 PolarHBondContact O-N 2.81Å |
| 172 | P | 97.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -60.9 | 131.8 | 178.4 | -21.9 | 32.5 | 0 | 0 | 0 | 111.5 | Q163 V164 E165 | Q163-P172 HydrophobicContact CG-CB 3.68Å; V164-P172 CarbonylContact O-C 3.52Å; V164-P172 WeakPolarHBondContact O-CA 3.24Å; E165-P172 HydrophobicContact CG-CB 4.03Å; E165-P172 HydrophobicContact CG-CG 4.02Å | ||
| 173 | L | 97.7 | Very high | 89.2 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.7 | 172.3 | -62.4 | 170.7 | 0 | 0 | 0 | 108.7 | P86 V88 Q163 V164 V169 S171 | P86-L173 HydrophobicContact CG-CD1 3.67Å; V88-L173 HydrophobicContact CG2-CB 4.47Å; V88-L173 HydrophobicContact CG2-CD1 4.12Å; Q163-L173 CarbonylContact C-O 3.56Å; Q163-L173 VanDerWaalsContact CA-O 3.26Å; Q163-L173 WeakPolarHBondContact CA-O 3.41Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 2.77Å; V164-L173 PolarHBondContact O-N 2.64Å; V169-L173 HydrophobicContact CG1-CD1 4.23Å; V169-L173 HydrophobicContact CG1-CD2 4.33Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 HydrophobicContact CG2-CG 4.43Å; S171-L173 PolarHBondContact O-N 2.81Å |
| 174 | T | 97.6 | Very high | 87.2 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.5 | 178.6 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | T161 C162 Q163 | T161-T174 HydrophobicContact CG2-CG2 4.16Å; C162-T174 WeakPolarHBondContact O-CA 3.48Å; Q163-T174 HydrophobicContact CB-CG2 4.15Å; Q163-T174 HydrophobicContact CG-CG2 3.92Å |
| 175 | V | 97.8 | Very high | 85.3 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 26% | 0.255 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.1 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | V88 V90 T161 C162 | V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.21Å; V88-V175 HydrophobicContact CG1-CG2 3.6Å; V90-V175 HydrophobicContact CB-CG1 3.98Å; V90-V175 HydrophobicContact CG2-CB 3.91Å; V90-V175 HydrophobicContact CG2-CG1 3.7Å; T161-V175 WeakPolarHBondContact CA-O 3.37Å; C162-V175 PolarHBondContact N-O 3.07Å; C162-V175 PolarHBondContact O-N 2.93Å |
| 176 | E | 96.2 | Very high | 83.4 | Confident | 112 Ų | 112 | 77.4 Ų | 77.4 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.6 | 176.8 | -63.9 | -168 | 170.6 | 0 | 0 | 111.6 | V159 Y160 T161 R178 | V159-E176 HydrophobicContact CG1-CB 4.28Å; V159-E176 HydrophobicContact CG1-CG 4.26Å; Y160-E176 CarbonylContact O-C 3.51Å; Y160-E176 WeakPolarHBondContact O-CA 3.41Å; T161-E176 HydrophobicContact CG2-CG 4.44Å; E176-R178 IonicContact OE2-CZ 2.67Å; E176-R178 IonicContact OE2-NE 3.85Å; E176-R178 IonicContact OE2-NH2 3.4Å; E176-R178 PolarHBondContact OE2-NH2 2.92Å |
| 177 | W | 93.6 | Very high | 81.7 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 19% | 0.193 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.6 | 168.1 | -177.3 | 92.7 | 0 | 0 | 0 | 109.5 | V90 P92 L104 P154 Y160 A179 | V90-W177 HydrophobicContact CB-CB 4.31Å; V90-W177 HydrophobicContact CG1-CB 3.52Å; V90-W177 HydrophobicContact CG1-CG 3.98Å; P92-W177 HydrophobicContact CB-CZ2 4.26Å; P92-W177 HydrophobicContact CG-CZ2 4.18Å; L104-W177 HydrophobicContact CD1-CD2 4.45Å; L104-W177 HydrophobicContact CD1-CE3 3.75Å; L104-W177 HydrophobicContact CD1-CZ3 3.93Å; L104-W177 HydrophobicContact CD2-CD2 3.67Å; L104-W177 HydrophobicContact CD2-CE3 3.67Å; L104-W177 HydrophobicContact CD2-CG 4.32Å; L104-W177 HydrophobicContact CD2-CH2 3.93Å; L104-W177 HydrophobicContact CD2-CZ2 3.93Å; L104-W177 HydrophobicContact CD2-CZ3 3.8Å; L104-W177 HydrophobicContact CG-CE3 4.38Å; L104-W177 HydrophobicContact CG-CZ3 4.43Å; P154-W177 HydrophobicContact CB-CH2 3.84Å; P154-W177 HydrophobicContact CB-CZ3 3.71Å; P154-W177 HydrophobicContact CG-CH2 3.85Å; P154-W177 HydrophobicContact CG-CZ3 3.88Å; Y160-W177 AromaticContact CD2-CE3 3.81Å; Y160-W177 HydrophobicContact CD2-CE3 3.81Å; Y160-W177 AromaticContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CD2-CZ3 3.91Å; Y160-W177 HydrophobicContact CE2-CZ3 4.27Å; Y160-W177 HydrophobicContact CG-CE3 4.39Å; Y160-W177 PolarHBondContact N-O 3.14Å; Y160-W177 PolarHBondContact O-N 3.07Å; W177-A179 HydrophobicContact CH2-CB 4.1Å; W177-A179 HydrophobicContact CZ3-CB 3.83Å |
| 178 | R | 89.9 | Confident | 79.8 | Confident | 141 Ų | 141 | 87.2 Ų | 87.2 | 53% | 0.532 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130 | -177.3 | -63.6 | -174.9 | -179.5 | -107.8 | -8.2 | 110.3 | V159 E176 R180 | V159-R178 HydrophobicContact CG1-CG 4.36Å; V159-R178 HydrophobicContact CG2-CG 4.22Å; E176-R178 IonicContact OE2-CZ 2.67Å; E176-R178 IonicContact OE2-NE 3.85Å; E176-R178 IonicContact OE2-NH2 3.4Å; E176-R178 PolarHBondContact OE2-NH2 2.92Å; R178-R180 PolarHBondContact O-N 2.91Å |
| 179 | A | 80.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 92.7 Ų | 92.7 | 8% | 0.083 | 49% | 0.488 | C | S | . | . | trans | -67.1 | 102.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P154 R155 E158 W177 | P154-A179 HydrophobicContact CB-CB 3.6Å; R155-A179 WeakPolarHBondContact O-CB 3.44Å; E158-A179 PolarHBondContact O-N 3.32Å; E158-A179 VanDerWaalsContact O-N 3.16Å; W177-A179 HydrophobicContact CH2-CB 4.1Å; W177-A179 HydrophobicContact CZ3-CB 3.83Å | ||
| 180 | R | 71.4 | Confident | 76.8 | Confident | 199 Ų | 199 | 95.7 Ų | 95.7 | 75% | 0.751 | 51% | 0.51 | S | S | * | . | trans | -90.8 | 142 | 171.2 | -69 | -175.9 | -179.3 | -178.2 | 0.9 | 109.4 | R178 | R178-R180 PolarHBondContact O-N 2.91Š| ||
| 181 | S | 58.6 | Low | 75.6 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 36% | 0.357 | 49% | 0.485 | S | S | . | . | trans | -68 | 132.1 | 168.5 | 175.4 | 0 | 0 | 0 | 0 | 110 | S183 A184 Q185 | S181-S183 PolarHBondContact O-N 3.37Å; S181-S183 WeakPolarHBondContact OG-CB 3.32Å; S181-S183 PolarHBondContact OG-N 2.77Å; S181-S183 VanDerWaalsContact OG-N 3.14Å; S181-A184 WeakPolarHBondContact O-CB 3.21Å; S181-A184 PolarHBondContact O-N 2.03Å; S181-Q185 PolarHBondContact O-N 3.48Å | ||
| 182 | E | 59 | Low | 74.7 | Confident | 150 Ų | 150 | 90.8 Ų | 90.8 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -53.5 | -32.3 | 168.1 | -72.1 | -170.3 | 154.9 | 0 | 0 | 111.3 | A184 Q185 S186 | E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.96Å; E182-Q185 PolarHBondContact O-N 2.93Å; E182-S186 PolarHBondContact O-N 3Å |
| 183 | S | 55.6 | Low | 73.6 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 174.5 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | S181 K187 | S181-S183 PolarHBondContact O-N 3.37Å; S181-S183 WeakPolarHBondContact OG-CB 3.32Å; S181-S183 PolarHBondContact OG-N 2.77Å; S181-S183 VanDerWaalsContact OG-N 3.14Å; S183-K187 VanDerWaalsContact O-CB 3.3Å; S183-K187 WeakPolarHBondContact O-CB 3.45Å; S183-K187 WeakPolarHBondContact O-CG 3.28Å; S183-K187 PolarHBondContact O-N 2.8Å; S183-K187 WeakPolarHBondContact OG-CE 3.23Å |
| 184 | A | 55.6 | Low | 72.9 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S181 E182 M188 | S181-A184 WeakPolarHBondContact O-CB 3.21Å; S181-A184 PolarHBondContact O-N 2.03Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.96Å; A184-M188 WeakPolarHBondContact O-CB 3.2Å; A184-M188 PolarHBondContact O-N 2.9Å |
| 185 | Q | 58.5 | Low | 72.3 | Confident | 121 Ų | 121 | 91.9 Ų | 91.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.7 | -40.5 | 178.8 | -147.3 | 170.5 | -4.1 | 0 | 0 | 111.7 | S181 E182 M188 L189 | S181-Q185 PolarHBondContact O-N 3.48Å; E182-Q185 PolarHBondContact O-N 2.93Å; Q185-M188 PolarHBondContact O-N 2.95Å; Q185-L189 PolarHBondContact O-N 3.43Å |
| 186 | S | 58.7 | Low | 71.8 | Confident | 82 Ų | 82 | 93.6 Ų | 93.6 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | E182 M188 L189 S190 | E182-S186 PolarHBondContact O-N 3Å; S186-M188 VanDerWaalsContact C-N 3.34Å; S186-M188 PolarHBondContact O-N 2.92Å; S186-L189 PolarHBondContact O-N 2.92Å; S186-S190 PolarHBondContact O-N 3.29Å |
| 187 | K | 62.2 | Low | 71.4 | Confident | 149 Ų | 149 | 93.1 Ų | 93.1 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 176.8 | -75 | 173 | -178.6 | 178.1 | 0 | 112.6 | S183 G191 | S183-K187 VanDerWaalsContact O-CB 3.3Å; S183-K187 WeakPolarHBondContact O-CB 3.45Å; S183-K187 WeakPolarHBondContact O-CG 3.28Å; S183-K187 PolarHBondContact O-N 2.8Å; S183-K187 WeakPolarHBondContact OG-CE 3.23Å; K187-G191 PolarHBondContact O-N 2.8Å |
| 188 | M | 59 | Low | 71.1 | Confident | 136 Ų | 136 | 92.2 Ų | 92.2 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 177.4 | -145.9 | -176.6 | 110.1 | 0 | 0 | 111.9 | A184 Q185 S186 G191 V192 | A184-M188 WeakPolarHBondContact O-CB 3.2Å; A184-M188 PolarHBondContact O-N 2.9Å; Q185-M188 PolarHBondContact O-N 2.95Å; S186-M188 VanDerWaalsContact C-N 3.34Å; S186-M188 PolarHBondContact O-N 2.92Å; M188-G191 PolarHBondContact O-N 3.39Å; M188-V192 WeakPolarHBondContact O-CG2 3.19Å; M188-V192 PolarHBondContact O-N 2.96Å |
| 189 | L | 60.8 | Low | 71.2 | Confident | 132 Ų | 132 | 90 Ų | 90 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 174.9 | -104.6 | 90.4 | 0 | 0 | 0 | 112.2 | Q185 S186 G191 V192 G193 | Q185-L189 PolarHBondContact O-N 3.43Å; S186-L189 PolarHBondContact O-N 2.92Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.44Å; L189-V192 PolarHBondContact O-N 3.26Å; L189-G193 PolarHBondContact O-N 3.17Å; L189-G193 VanDerWaalsContact O-N 3.08Å |
| 190 | S | 69.6 | Low | 71.7 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 63% | 0.629 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -36.8 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | S186 G194 | S186-S190 PolarHBondContact O-N 3.29Å; S190-G194 PolarHBondContact O-N 3.18Å; S190-G194 VanDerWaalsContact O-N 3.08Å |
| 191 | G | 71.6 | Confident | 72.6 | Confident | 43 Ų | 43 | 92.9 Ų | 92.9 | 44% | 0.443 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K187 M188 L189 G194 F195 | K187-G191 PolarHBondContact O-N 2.8Å; M188-G191 PolarHBondContact O-N 3.39Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.44Å; G191-G194 PolarHBondContact O-N 2.87Å; G191-F195 PolarHBondContact O-N 3.19Å |
| 192 | V | 79 | Confident | 74.2 | Confident | 86 Ų | 86 | 96 Ų | 96 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | M188 L189 G194 F195 V196 | M188-V192 WeakPolarHBondContact O-CG2 3.19Å; M188-V192 PolarHBondContact O-N 2.96Å; L189-V192 PolarHBondContact O-N 3.26Å; V192-G194 PolarHBondContact O-N 3.01Å; V192-F195 PolarHBondContact O-N 3.43Å; V192-V196 HydrophobicContact CG1-CG2 4.46Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 3.09Å |
| 193 | G | 73.4 | Confident | 75.7 | Confident | 35 Ų | 35 | 90.8 Ų | 90.8 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L189 L197 | L189-G193 PolarHBondContact O-N 3.17Å; L189-G193 VanDerWaalsContact O-N 3.08Å; G193-L197 WeakPolarHBondContact O-CG 3.31Å; G193-L197 PolarHBondContact O-N 2.65Å; G193-L197 VanDerWaalsContact O-N 3.16Å |
| 194 | G | 82.5 | Confident | 77.4 | Confident | 44 Ų | 44 | 90.6 Ų | 90.6 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S190 G191 V192 L197 G198 | S190-G194 PolarHBondContact O-N 3.18Å; S190-G194 VanDerWaalsContact O-N 3.08Å; G191-G194 PolarHBondContact O-N 2.87Å; V192-G194 PolarHBondContact O-N 3.01Å; G194-L197 PolarHBondContact O-N 3.38Å; G194-G198 PolarHBondContact O-N 3.04Å |
| 195 | F | 84.4 | Confident | 79 | Confident | 144 Ų | 144 | 89.8 Ų | 89.8 | 63% | 0.632 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 179.1 | -169.4 | -101.3 | 0 | 0 | 0 | 112.4 | G191 V192 G198 L199 | G191-F195 PolarHBondContact O-N 3.19Å; V192-F195 PolarHBondContact O-N 3.43Å; F195-G198 PolarHBondContact O-N 3.35Å; F195-L199 HydrophobicContact CD1-CD1 3.85Å; F195-L199 HydrophobicContact CD1-CG 4.36Å; F195-L199 HydrophobicContact CE1-CD1 3.47Å; F195-L199 VanDerWaalsContact CE1-CD1 3.47Å; F195-L199 HydrophobicContact CE1-CG 4.09Å; F195-L199 HydrophobicContact CZ-CD1 4.18Å; F195-L199 HydrophobicContact CZ-CG 4.43Å; F195-L199 PolarHBondContact O-N 2.91Å |
| 196 | V | 87.5 | Confident | 80.4 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | V192 G198 L199 L200 | V192-V196 HydrophobicContact CG1-CG2 4.46Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 3.09Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.2Å; V196-L199 PolarHBondContact O-N 3.5Å; V196-L200 HydrophobicContact CG1-CD1 4.37Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.89Å; V196-L200 VanDerWaalsContact O-N 3.11Å |
| 197 | L | 88.2 | Confident | 81.8 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.7 | -75.8 | 166.1 | 0 | 0 | 0 | 111.6 | G193 G194 L199 L200 F201 | G193-L197 WeakPolarHBondContact O-CG 3.31Å; G193-L197 PolarHBondContact O-N 2.65Å; G193-L197 VanDerWaalsContact O-N 3.16Å; G194-L197 PolarHBondContact O-N 3.38Å; L197-L199 PolarHBondContact O-N 2.83Å; L197-L200 PolarHBondContact O-N 2.77Å; L197-F201 WeakPolarHBondContact O-CD2 3.49Å; L197-F201 PolarHBondContact O-N 3.26Å; L197-F201 VanDerWaalsContact O-N 3.12Å |
| 198 | G | 87.6 | Confident | 82.9 | Confident | 31 Ų | 31 | 89.6 Ų | 89.6 | 32% | 0.32 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G194 F195 V196 L200 F201 L202 | G194-G198 PolarHBondContact O-N 3.04Å; F195-G198 PolarHBondContact O-N 3.35Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.2Å; G198-L200 PolarHBondContact O-N 2.75Å; G198-F201 PolarHBondContact O-N 3.41Å; G198-L202 WeakPolarHBondContact O-CB 3.49Å; G198-L202 WeakPolarHBondContact O-CG 3.22Å; G198-L202 PolarHBondContact O-N 3.26Å |
| 199 | L | 92.5 | Very high | 84.2 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 176.5 | -74.8 | 176.5 | 0 | 0 | 0 | 112.8 | F195 V196 L197 L202 G203 | F195-L199 HydrophobicContact CD1-CD1 3.85Å; F195-L199 HydrophobicContact CD1-CG 4.36Å; F195-L199 HydrophobicContact CE1-CD1 3.47Å; F195-L199 VanDerWaalsContact CE1-CD1 3.47Å; F195-L199 HydrophobicContact CE1-CG 4.09Å; F195-L199 HydrophobicContact CZ-CD1 4.18Å; F195-L199 HydrophobicContact CZ-CG 4.43Å; F195-L199 PolarHBondContact O-N 2.91Å; V196-L199 PolarHBondContact O-N 3.5Å; L197-L199 PolarHBondContact O-N 2.83Å; L199-L202 PolarHBondContact O-N 3.19Å; L199-G203 PolarHBondContact O-N 2.91Å |
| 200 | L | 90.6 | Very high | 85.2 | Confident | 114 Ų | 114 | 88.5 Ų | 88.5 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 175.6 | -72.4 | 169.7 | 0 | 0 | 0 | 111.6 | V196 L197 G198 G203 A204 | V196-L200 HydrophobicContact CG1-CD1 4.37Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.89Å; V196-L200 VanDerWaalsContact O-N 3.11Å; L197-L200 PolarHBondContact O-N 2.77Å; G198-L200 PolarHBondContact O-N 2.75Å; L200-G203 PolarHBondContact O-N 3.12Å; L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 3.43Å |
| 201 | F | 90.6 | Very high | 85.6 | Confident | 157 Ų | 157 | 93 Ų | 93 | 69% | 0.689 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 176.6 | -77.7 | -66.8 | 0 | 0 | 0 | 112.6 | L197 G198 A204 G205 | L197-F201 WeakPolarHBondContact O-CD2 3.49Å; L197-F201 PolarHBondContact O-N 3.26Å; L197-F201 VanDerWaalsContact O-N 3.12Å; G198-F201 PolarHBondContact O-N 3.41Å; F201-A204 PolarHBondContact O-N 3Å; F201-G205 PolarHBondContact O-N 3.39Å |
| 202 | L | 91.6 | Very high | 85.7 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 175.1 | -80.2 | 166.6 | 0 | 0 | 0 | 111.9 | G198 L199 G205 L206 | G198-L202 WeakPolarHBondContact O-CB 3.49Å; G198-L202 WeakPolarHBondContact O-CG 3.22Å; G198-L202 PolarHBondContact O-N 3.26Å; L199-L202 PolarHBondContact O-N 3.19Å; L202-G205 PolarHBondContact O-N 3.34Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 PolarHBondContact O-N 3.29Å |
| 203 | G | 90.6 | Very high | 85.2 | Confident | 42 Ų | 42 | 97.4 Ų | 97.4 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L199 L200 L206 F207 | L199-G203 PolarHBondContact O-N 2.91Å; L200-G203 PolarHBondContact O-N 3.12Å; G203-L206 PolarHBondContact O-N 3.39Å; G203-F207 WeakPolarHBondContact O-CB 3.29Å; G203-F207 PolarHBondContact O-N 2.95Å |
| 204 | A | 90.8 | Very high | 84.5 | Confident | 51 Ų | 51 | 104.3 Ų | 104.3 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L200 F201 F207 I208 | L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 3.43Å; F201-A204 PolarHBondContact O-N 3Å; A204-F207 PolarHBondContact O-N 3.37Å; A204-I208 WeakPolarHBondContact O-CG1 3.34Å; A204-I208 PolarHBondContact O-N 3.28Å |
| 205 | G | 88.9 | Confident | 83.2 | Confident | 40 Ų | 40 | 105 Ų | 105 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F201 L202 F207 I208 Y209 | F201-G205 PolarHBondContact O-N 3.39Å; L202-G205 PolarHBondContact O-N 3.34Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 3.24Å; G205-I208 PolarHBondContact O-N 2.89Å; G205-Y209 VanDerWaalsContact O-CB 3.31Å; G205-Y209 WeakPolarHBondContact O-CB 3.35Å; G205-Y209 PolarHBondContact O-N 3.11Å |
| 206 | L | 89.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.3 | -44.5 | 175.1 | -121.4 | 84.9 | 0 | 0 | 0 | 111.3 | L202 G203 Y209 F210 | L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 PolarHBondContact O-N 3.29Å; G203-L206 PolarHBondContact O-N 3.39Å; L206-Y209 PolarHBondContact O-N 2.92Å; L206-F210 HydrophobicContact CB-CD2 4.5Å; L206-F210 HydrophobicContact CD2-CD2 4.38Å; L206-F210 HydrophobicContact CD2-CE2 3.72Å; L206-F210 HydrophobicContact CG-CD2 4.28Å; L206-F210 HydrophobicContact CG-CE2 3.89Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.17Å |
| 207 | F | 86.3 | Confident | 79.8 | Confident | 136 Ų | 136 | 108.2 Ų | 108.2 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -45.1 | 179.8 | -177.9 | -98.2 | 0 | 0 | 0 | 112.1 | G203 A204 G205 R211 | G203-F207 WeakPolarHBondContact O-CB 3.29Å; G203-F207 PolarHBondContact O-N 2.95Å; A204-F207 PolarHBondContact O-N 3.37Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 3.24Å; F207-R211 WeakPolarHBondContact O-CB 3.26Å; F207-R211 PolarHBondContact O-N 3.34Å |
| 208 | I | 85.7 | Confident | 78 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.3 | -45.5 | 175.7 | -67.1 | 169.2 | 0 | 0 | 0 | 110.4 | A204 G205 F210 R211 N212 | A204-I208 WeakPolarHBondContact O-CG1 3.34Å; A204-I208 PolarHBondContact O-N 3.28Å; G205-I208 PolarHBondContact O-N 2.89Å; I208-F210 PolarHBondContact O-N 3.5Å; I208-R211 PolarHBondContact O-N 2.8Å; I208-N212 PolarHBondContact O-N 2.89Å |
| 209 | Y | 86.8 | Confident | 75.9 | Confident | 133 Ų | 133 | 113.2 Ų | 113.2 | 52% | 0.522 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.1 | -48.2 | 178.9 | 177.4 | -98.4 | 0 | 0 | 0 | 112.3 | G205 L206 R211 N212 Q213 | G205-Y209 VanDerWaalsContact O-CB 3.31Å; G205-Y209 WeakPolarHBondContact O-CB 3.35Å; G205-Y209 PolarHBondContact O-N 3.11Å; L206-Y209 PolarHBondContact O-N 2.92Å; Y209-R211 PolarHBondContact O-N 3.07Å; Y209-N212 PolarHBondContact O-N 3.33Å; Y209-Q213 HydrophobicContact CE1-CG 4.3Å; Y209-Q213 PolarHBondContact O-N 3.43Å; Y209-Q213 PolarHBondContact OH-NE2 3.31Å |
| 210 | F | 81.2 | Confident | 73.4 | Confident | 113 Ų | 113 | 117.9 Ų | 117.9 | 50% | 0.496 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -33.2 | 177.3 | -79.1 | -63.4 | 0 | 0 | 0 | 113.2 | L206 I208 N212 K214 | L206-F210 HydrophobicContact CB-CD2 4.5Å; L206-F210 HydrophobicContact CD2-CD2 4.38Å; L206-F210 HydrophobicContact CD2-CE2 3.72Å; L206-F210 HydrophobicContact CG-CD2 4.28Å; L206-F210 HydrophobicContact CG-CE2 3.89Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.17Å; I208-F210 PolarHBondContact O-N 3.5Å; F210-N212 VanDerWaalsContact C-N 3.33Å; F210-K214 PolarHBondContact O-N 3.37Å |
| 211 | R | 78.9 | Confident | 71.2 | Confident | 183 Ų | 183 | 117.8 Ų | 117.8 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 171.2 | -113.2 | -179.4 | 70.2 | 155.7 | -0.1 | 111.8 | F207 I208 Y209 K214 G215 | F207-R211 WeakPolarHBondContact O-CB 3.26Å; F207-R211 PolarHBondContact O-N 3.34Å; I208-R211 PolarHBondContact O-N 2.8Å; Y209-R211 PolarHBondContact O-N 3.07Å; R211-K214 PolarHBondContact O-N 3.29Å; R211-G215 PolarHBondContact O-N 2.97Å |
| 212 | N | 73.7 | Confident | 69.3 | Low | 120 Ų | 120 | 117.3 Ų | 117.3 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.6 | -37.3 | -180 | -119.6 | 12.7 | 0 | 0 | 0 | 112.4 | I208 Y209 F210 K214 G215 | I208-N212 PolarHBondContact O-N 2.89Å; Y209-N212 PolarHBondContact O-N 3.33Å; F210-N212 VanDerWaalsContact C-N 3.33Å; N212-K214 VanDerWaalsContact C-N 3.31Å; N212-K214 PolarHBondContact O-N 3.24Å; N212-G215 PolarHBondContact O-N 3.06Å; N212-G215 VanDerWaalsContact O-N 3.14Å |
| 213 | Q | 68.5 | Low | 66.7 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 48% | 0.477 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.8 | -35 | 173.6 | -77.6 | -162.3 | -29 | 0 | 0 | 112.8 | Y209 G215 H216 | Y209-Q213 HydrophobicContact CE1-CG 4.3Å; Y209-Q213 PolarHBondContact O-N 3.43Å; Y209-Q213 PolarHBondContact OH-NE2 3.31Å; Q213-G215 PolarHBondContact O-N 2.94Å; Q213-H216 PolarHBondContact O-N 3.3Å |
| 214 | K | 58.8 | Low | 64.5 | Low | 180 Ų | 180 | 122.6 Ų | 122.6 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.8 | -14.8 | 174.6 | -77.7 | -176.9 | 176.6 | -179.1 | 0 | 114.1 | F210 R211 N212 | F210-K214 PolarHBondContact O-N 3.37Å; R211-K214 PolarHBondContact O-N 3.29Å; N212-K214 VanDerWaalsContact C-N 3.31Å; N212-K214 PolarHBondContact O-N 3.24Å |
| 215 | G | 55.1 | Low | 62.1 | Low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -7.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R211 N212 Q213 | R211-G215 PolarHBondContact O-N 2.97Å; N212-G215 PolarHBondContact O-N 3.06Å; N212-G215 VanDerWaalsContact O-N 3.14Å; Q213-G215 PolarHBondContact O-N 2.94Å |
| 216 | H | 50.3 | Low | 59.9 | Low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 12.4 | -177.1 | -93.1 | 63.8 | 0 | 0 | 0 | 114.4 | Q213 | Q213-H216 PolarHBondContact O-N 3.3Š|
| 217 | S | 48.7 | Very low | 58.4 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -118.1 | 50.2 | -178.5 | -51.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 218 | G | 51.5 | Low | 57 | Low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | -175.8 | 98.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 219 | L | 43.6 | Very low | 55.4 | Low | 176 Ų | 176 | 137.8 Ų | 137.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | 174.7 | 107.9 | 138.1 | -96.5 | 149.4 | 0 | 0 | 0 | 109.4 | ||||
| 220 | Q | 39.3 | Very low | 53.5 | Low | 192 Ų | 192 | 138.1 Ų | 138.1 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -122.8 | 114.9 | 160.9 | -153.2 | -177.9 | 4.3 | 0 | 0 | 106.7 | ||||
| 221 | P | 45.6 | Very low | 51.8 | Low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 133.8 | 175.4 | 23.7 | -15.8 | 0 | 0 | 0 | 110.9 | ||||
| 222 | T | 48.8 | Very low | 50 | Low | 146 Ų | 146 | 136.7 Ų | 136.7 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 137 | 161.2 | 38.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 223 | G | 38.4 | Very low | 48.3 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -163.9 | 116.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 224 | F | 43.8 | Very low | 46.7 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -82.8 | 159 | -171.6 | -111.8 | -104.5 | 0 | 0 | 0 | 113.6 | ||||
| 225 | L | 39.7 | Very low | 45.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | trans | 11.7 | 126.4 | 151.4 | -58.2 | 170.9 | 0 | 0 | 0 | 116.8 | ||||
| 226 | S | 43.7 | Very low | 44.9 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 100% | 1.315 | 86% | 0.859 | S | S | * | * | -179.4 | 0 | 65.1 | -175.1 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 226 of 226 residues in 720.8 ms
(Link to these results)