| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.6 | Very low | 78.6 | Confident | 228 Ų | 228 | 104.8 Ų | 104.8 | 100% | 1.123 | 58% | 0.575 | S | S | * | * | 0 | 126.1 | 0 | -73.8 | -178.5 | 168.6 | 0 | 0 | 106.4 | N3 | M1-N3 PolarHBondContact O-N 3.26Å; M1-N3 PolarHBondContact O-OD1 3.13Å | |||
| 2 | C | 51.4 | Low | 80.1 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 73% | 0.73 | 57% | 0.565 | S | S | * | * | trans | -70.2 | 102.4 | -176.6 | -72.4 | 0 | 0 | 0 | 0 | 109.6 | S4 | C2-S4 PolarHBondContact O-N 3.23Š| ||
| 3 | N | 67.6 | Low | 81.4 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | trans | -74.6 | 40.6 | 172.8 | -66.1 | -1.5 | 0 | 0 | 0 | 111.4 | M1 L21 | M1-N3 PolarHBondContact O-N 3.26Å; M1-N3 PolarHBondContact O-OD1 3.13Å; N3-L21 WeakPolarHBondContact O-CD2 3.34Å | ||
| 4 | S | 77.4 | Confident | 82.4 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | trans | -130.2 | 126.6 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | C2 Y19 | C2-S4 PolarHBondContact O-N 3.23Å; S4-Y19 VanDerWaalsContact O-CD1 3.29Å; S4-Y19 WeakPolarHBondContact O-CD1 3.32Å | ||
| 5 | C | 87.2 | Confident | 83.2 | Confident | 26 Ų | 26 | 95.2 Ų | 95.2 | 18% | 0.176 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 158.1 | 171.5 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | F14 C16 P25 | C5-F14 HydrophobicContact CB-CE2 4.24Å; C5-F14 HydrophobicContact CB-CZ 3.64Å; C5-C16 WeakPolarHBondContact CA-SG 3.3Å; C5-C16 HydrophobicContact CB-CB 3.71Å; C5-C16 WeakPolarHBondContact CB-SG 3.35Å; C5-C16 WeakPolarHBondContact SG-CB 3.17Å; C5-C16 CovalentContact SG-SG 2Å; C5-C16 PolarHBondContact SG-SG 3.09Å; C5-P25 WeakPolarHBondContact SG-CG 3.35Å |
| 6 | H | 84.2 | Confident | 83.9 | Confident | 137 Ų | 137 | 89.3 Ų | 89.3 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 155.2 | 160.1 | -68.3 | -48.7 | 0 | 0 | 0 | 111 | Q8 F14 Y19 | H6-Q8 PolarHBondContact O-N 2.87Å; H6-F14 WeakPolarHBondContact O-CE2 3.42Å; H6-Y19 AromaticContact CD2-CZ 3.9Å; H6-Y19 PolarHBondContact CD2-OH 3.03Å; H6-Y19 PolarHBondContact NE2-OH 3.03Å |
| 7 | L | 85.9 | Confident | 84.6 | Confident | 158 Ų | 158 | 86 Ų | 86 | 83% | 0.827 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -59 | 133.4 | 173.5 | -171.6 | 72.5 | 0 | 0 | 0 | 109.4 | T9 | L7-T9 PolarHBondContact O-N 3.37Å; L7-T9 VanDerWaalsContact O-N 3.12Å |
| 8 | Q | 89.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 88 Ų | 88 | 15% | 0.154 | 47% | 0.469 | C | S | . | . | trans | -65.1 | 109.5 | 174.7 | -178.1 | 172.8 | 1.3 | 0 | 0 | 109.7 | H6 N10 I11 F14 H29 T32 | H6-Q8 PolarHBondContact O-N 2.87Å; Q8-N10 WeakPolarHBondContact CG-O 3.4Å; Q8-N10 PolarHBondContact NE2-O 2.78Å; Q8-I11 PolarHBondContact NE2-O 2.61Å; Q8-F14 HydrophobicContact CB-CD2 3.63Å; Q8-F14 HydrophobicContact CB-CE2 3.84Å; Q8-F14 HydrophobicContact CB-CG 4.31Å; Q8-F14 HydrophobicContact CG-CB 4.18Å; Q8-F14 HydrophobicContact CG-CD2 3.79Å; Q8-F14 HydrophobicContact CG-CG 4.16Å; Q8-H29 VanDerWaalsContact OE1-CB 3.27Å; Q8-T32 PolarHBondContact NE2-OG1 2.73Å | ||
| 9 | T | 88.7 | Confident | 85.6 | Confident | 141 Ų | 141 | 86.4 Ų | 86.4 | 87% | 0.865 | 46% | 0.456 | S | S | * | . | trans | -86.7 | -25.9 | 179.1 | 52.8 | 0 | 0 | 0 | 0 | 113 | L7 | L7-T9 PolarHBondContact O-N 3.37Å; L7-T9 VanDerWaalsContact O-N 3.12Å | ||
| 10 | N | 93 | Very high | 86 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 34% | 0.342 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -112.5 | 121.3 | 175.9 | -177.1 | -22.4 | 0 | 0 | 0 | 109.3 | Q8 E12 I13 | Q8-N10 WeakPolarHBondContact CG-O 3.4Å; Q8-N10 PolarHBondContact NE2-O 2.78Å; N10-E12 PolarHBondContact O-N 3.34Å; N10-E12 PolarHBondContact OD1-N 3.03Å; N10-I13 HydrophobicContact CB-CB 4.4Å; N10-I13 PolarHBondContact O-N 3.27Å |
| 11 | I | 94 | Very high | 86.4 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 44% | 0.441 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -63.7 | -20.3 | -178.1 | 62.9 | 170.6 | 0 | 0 | 0 | 114 | Q8 N31 T32 | Q8-I11 PolarHBondContact NE2-O 2.61Å; I11-N31 CarbonylContact O-C 3.23Å; I11-N31 VanDerWaalsContact O-C 3.23Å; I11-T32 WeakPolarHBondContact O-CA 3.22Å; I11-T32 PolarHBondContact O-N 3.48Å |
| 12 | E | 96.5 | Very high | 88.7 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -98.5 | -25.6 | -178.9 | -62.3 | -177.8 | 172.8 | 0 | 0 | 113.3 | N10 I33 E34 | N10-E12 PolarHBondContact O-N 3.34Å; N10-E12 PolarHBondContact OD1-N 3.03Å; E12-I33 HydrophobicContact CB-CD1 4.16Å; E12-I33 HydrophobicContact CB-CG1 4.3Å; E12-I33 HydrophobicContact CG-CD1 4.02Å; E12-I33 HydrophobicContact CG-CG1 4.47Å; E12-I33 PolarHBondContact O-N 3.27Å; E12-E34 PolarHBondContact O-N 3.29Å |
| 13 | I | 96.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.4 | -173.7 | -56.2 | 177.7 | 0 | 0 | 0 | 109.3 | N10 H15 E34 | N10-I13 HydrophobicContact CB-CB 4.4Å; N10-I13 PolarHBondContact O-N 3.27Å; I13-H15 WeakPolarHBondContact CG2-NE2 3.33Å; I13-E34 HydrophobicContact CG1-CB 4.37Å; I13-E34 HydrophobicContact CG2-CB 4.38Å |
| 14 | F | 96.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 5% | 0.048 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.1 | 175.6 | -169.2 | -141.9 | 0 | 0 | 0 | 112.1 | C5 H6 Q8 C16 P25 I28 T32 E34 L35 N36 | C5-F14 HydrophobicContact CB-CE2 4.24Å; C5-F14 HydrophobicContact CB-CZ 3.64Å; H6-F14 WeakPolarHBondContact O-CE2 3.42Å; Q8-F14 HydrophobicContact CB-CD2 3.63Å; Q8-F14 HydrophobicContact CB-CE2 3.84Å; Q8-F14 HydrophobicContact CB-CG 4.31Å; Q8-F14 HydrophobicContact CG-CB 4.18Å; Q8-F14 HydrophobicContact CG-CD2 3.79Å; Q8-F14 HydrophobicContact CG-CG 4.16Å; F14-C16 HydrophobicContact CE1-CB 4.22Å; F14-C16 HydrophobicContact CE2-CB 4.4Å; F14-C16 HydrophobicContact CZ-CB 4.02Å; F14-P25 HydrophobicContact CE1-CB 4.36Å; F14-P25 HydrophobicContact CE1-CG 4.17Å; F14-I28 HydrophobicContact CD1-CB 4.4Å; F14-I28 HydrophobicContact CD1-CD1 4.39Å; F14-I28 HydrophobicContact CD1-CG1 3.86Å; F14-I28 HydrophobicContact CD1-CG2 3.96Å; F14-I28 HydrophobicContact CE1-CD1 4.49Å; F14-I28 HydrophobicContact CE1-CG1 3.81Å; F14-T32 HydrophobicContact CB-CG2 4.09Å; F14-E34 PolarHBondContact N-O 3.13Å; F14-L35 HydrophobicContact CB-CD1 4.14Å; F14-L35 HydrophobicContact CD1-CD1 3.7Å; F14-L35 HydrophobicContact CG-CD1 4.34Å; F14-N36 PolarHBondContact O-N 2.91Å |
| 15 | H | 94.6 | Very high | 92.3 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 108.9 | 177.6 | -67.9 | -179.7 | 0 | 0 | 0 | 110.1 | I13 E34 | I13-H15 WeakPolarHBondContact CG2-NE2 3.33Å; H15-E34 IonicContact CD2-OE1 3.89Å; H15-E34 IonicContact CE1-OE1 3.17Å; H15-E34 IonicContact NE2-OE1 2.86Å; H15-E34 PolarHBondContact NE2-OE1 2.84Å |
| 16 | C | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | trans | -131.6 | 64.7 | 175.9 | -175 | 0 | 0 | 0 | 0 | 111.5 | C5 F14 Y19 N36 L37 N40 | C5-C16 WeakPolarHBondContact CA-SG 3.3Å; C5-C16 HydrophobicContact CB-CB 3.71Å; C5-C16 WeakPolarHBondContact CB-SG 3.35Å; C5-C16 WeakPolarHBondContact SG-CB 3.17Å; C5-C16 CovalentContact SG-SG 2Å; C5-C16 PolarHBondContact SG-SG 3.09Å; F14-C16 HydrophobicContact CE1-CB 4.22Å; F14-C16 HydrophobicContact CE2-CB 4.4Å; F14-C16 HydrophobicContact CZ-CB 4.02Å; C16-Y19 HydrophobicContact CB-CD2 4.42Å; C16-Y19 WeakPolarHBondContact SG-CD2 3.27Å; C16-N36 CarbonylContact C-O 3.54Å; C16-N36 PolarHBondContact N-O 3.1Å; C16-L37 HydrophobicContact CB-CD2 4.04Å; C16-N40 PolarHBondContact O-ND2 3.44Å | ||
| 17 | S | 94.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 70 Ų | 70 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | trans | -92.9 | 151 | 175 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | Y19 S38 | S17-Y19 WeakPolarHBondContact O-CD2 3.35Å; S17-Y19 WeakPolarHBondContact O-CE2 3.35Å; S17-S38 WeakPolarHBondContact CA-O 3.26Å; S17-S38 WeakPolarHBondContact CB-O 3.49Å | ||
| 18 | H | 94.8 | Very high | 92.5 | Very high | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 69.7 | 26.7 | 173.2 | -53 | 80.2 | 0 | 0 | 0 | 116.4 | S38 Y39 | H18-S38 PolarHBondContact N-O 3.1Å; H18-Y39 WeakPolarHBondContact CA-O 3.3Å; H18-Y39 AromaticContact CD2-CG 3.84Å; H18-Y39 AromaticContact CE1-CD2 3.3Å; H18-Y39 WeakPolarHBondContact CE1-CD2 3.42Å; H18-Y39 AromaticContact CE1-CE2 3.97Å; H18-Y39 AromaticContact CE1-CG 3.41Å; H18-Y39 VanDerWaalsContact CE1-CG 3.41Å; H18-Y39 PolarHBondContact N-O 3.35Å; H18-Y39 WeakPolarHBondContact NE2-CB 3.17Å; H18-Y39 AromaticContact NE2-CD1 3.58Å; H18-Y39 AromaticContact NE2-CD2 3.59Å; H18-Y39 AromaticContact NE2-CG 3.25Å; H18-Y39 VanDerWaalsContact NE2-CG 3.25Å |
| 19 | Y | 93.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -101.6 | 4.6 | -179.3 | -73.5 | -86.2 | 0 | 0 | 0 | 114.3 | S4 H6 C16 S17 L21 N40 | S4-Y19 VanDerWaalsContact O-CD1 3.29Å; S4-Y19 WeakPolarHBondContact O-CD1 3.32Å; H6-Y19 AromaticContact CD2-CZ 3.9Å; H6-Y19 PolarHBondContact CD2-OH 3.03Å; H6-Y19 PolarHBondContact NE2-OH 3.03Å; C16-Y19 HydrophobicContact CB-CD2 4.42Å; C16-Y19 WeakPolarHBondContact SG-CD2 3.27Å; S17-Y19 WeakPolarHBondContact O-CD2 3.35Å; S17-Y19 WeakPolarHBondContact O-CE2 3.35Å; Y19-L21 PolarHBondContact O-N 3.4Å; Y19-N40 PolarHBondContact N-OD1 2.82Å |
| 20 | G | 94 | Very high | 93 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | trans | 64.3 | 27 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T22 N40 | G20-T22 PolarHBondContact O-N 3.07Å; G20-N40 PolarHBondContact N-OD1 2.81Å; G20-N40 VanDerWaalsContact N-OD1 3.17Å | ||
| 21 | L | 93.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | trans | -65.7 | 126.3 | -179.2 | -59.2 | 176.9 | 0 | 0 | 0 | 110.5 | N3 Y19 T23 P25 L37 N40 L41 I42 | N3-L21 WeakPolarHBondContact O-CD2 3.34Å; Y19-L21 PolarHBondContact O-N 3.4Å; L21-T23 WeakPolarHBondContact CB-O 3.39Å; L21-P25 HydrophobicContact CD1-CG 3.77Å; L21-L37 HydrophobicContact CD1-CD2 4.11Å; L21-N40 HydrophobicContact CB-CB 4.01Å; L21-N40 PolarHBondContact N-OD1 2.86Å; L21-L41 CarbonylContact O-C 3.24Å; L21-L41 VanDerWaalsContact O-CA 3.26Å; L21-L41 WeakPolarHBondContact O-CA 3.33Å; L21-L41 PolarHBondContact O-N 2.92Å; L21-I42 PolarHBondContact O-N 2.87Å | ||
| 22 | T | 93.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -89.2 | -20.2 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | G20 L41 | G20-T22 PolarHBondContact O-N 3.07Å; T22-L41 HydrophobicContact CG2-CB 4.2Å |
| 23 | T | 92.2 | Very high | 93.3 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -136.6 | 167.1 | 178.6 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | L21 | L21-T23 WeakPolarHBondContact CB-O 3.39Š|
| 24 | L | 91.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | trans | -62.9 | 148.2 | 174.1 | -82.7 | 71.8 | 0 | 0 | 0 | 111.1 | L37 I42 L45 S49 F50 | L24-L37 HydrophobicContact CD2-CD1 4.17Å; L24-L37 HydrophobicContact CG-CD1 3.8Å; L24-I42 HydrophobicContact CD1-CD1 4.09Å; L24-I42 HydrophobicContact CD1-CG2 4.36Å; L24-L45 HydrophobicContact CD1-CD2 4.47Å; L24-S49 WeakPolarHBondContact CD2-O 3.33Å; L24-F50 HydrophobicContact CD2-CD1 3.82Å; L24-F50 HydrophobicContact CD2-CE1 3.57Å; L24-F50 HydrophobicContact CD2-CZ 4.27Å | ||
| 25 | P | 88 | Confident | 93.5 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | trans | -57.4 | 136.4 | 173.8 | -24.5 | 34.5 | 0 | 0 | 0 | 111.8 | C5 F14 L21 Y27 I28 L37 | C5-P25 WeakPolarHBondContact SG-CG 3.35Å; F14-P25 HydrophobicContact CE1-CB 4.36Å; F14-P25 HydrophobicContact CE1-CG 4.17Å; L21-P25 HydrophobicContact CD1-CG 3.77Å; P25-Y27 PolarHBondContact O-N 2.78Å; P25-I28 HydrophobicContact CB-CG1 4.27Å; P25-L37 HydrophobicContact CG-CD2 4.08Å | ||
| 26 | G | 82 | Confident | 93.6 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 79% | 0.794 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -64.4 | -21.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 27 | Y | 86.7 | Confident | 93.8 | Very high | 156 Ų | 156 | 50.6 Ų | 50.6 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | trans | -131.6 | 120.1 | 173 | -173.7 | -95.6 | 0 | 0 | 0 | 110.8 | P25 | P25-Y27 PolarHBondContact O-N 2.78Š| ||
| 28 | I | 93.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | trans | -130.1 | 134.6 | 169.3 | -59.9 | 170.9 | 0 | 0 | 0 | 105.1 | F14 P25 T32 L35 L53 | F14-I28 HydrophobicContact CD1-CB 4.4Å; F14-I28 HydrophobicContact CD1-CD1 4.39Å; F14-I28 HydrophobicContact CD1-CG1 3.86Å; F14-I28 HydrophobicContact CD1-CG2 3.96Å; F14-I28 HydrophobicContact CE1-CD1 4.49Å; F14-I28 HydrophobicContact CE1-CG1 3.81Å; P25-I28 HydrophobicContact CB-CG1 4.27Å; I28-T32 HydrophobicContact CG2-CG2 4.21Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.38Å; I28-L35 HydrophobicContact CD1-CD1 4Å; I28-L35 HydrophobicContact CD1-CD2 3.95Å; I28-L35 HydrophobicContact CG2-CD1 4.47Å; I28-L53 HydrophobicContact CB-CD1 4.27Å; I28-L53 HydrophobicContact CB-CD2 3.91Å; I28-L53 HydrophobicContact CD1-CD1 3.93Å; I28-L53 HydrophobicContact CG2-CD1 4.21Å; I28-L53 HydrophobicContact CG2-CD2 3.76Å | ||
| 29 | H | 94.6 | Very high | 94 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | trans | -62.6 | 136.9 | -178 | -166.9 | -82.7 | 0 | 0 | 0 | 111 | Q8 N31 T32 | Q8-H29 VanDerWaalsContact OE1-CB 3.27Å; H29-N31 PolarHBondContact ND1-N 2.77Å; H29-N31 PolarHBondContact O-N 3.27Å; H29-T32 VanDerWaalsContact O-CB 3.24Å; H29-T32 WeakPolarHBondContact O-CB 3.49Å; H29-T32 PolarHBondContact O-N 2.87Å; H29-T32 PolarHBondContact O-OG1 3.12Å | ||
| 30 | E | 94.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.3 | -174.6 | 61.7 | -172.1 | -179.9 | 0 | 0 | 114.4 | T32 N55 | E30-T32 PolarHBondContact O-N 3.21Å; E30-N55 PolarHBondContact O-ND2 3.35Å; E30-N55 VanDerWaalsContact O-ND2 3.14Å |
| 31 | N | 96.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 9.1 | 174.4 | -62.6 | -19 | 0 | 0 | 0 | 113.9 | I11 H29 I33 | I11-N31 CarbonylContact O-C 3.23Å; I11-N31 VanDerWaalsContact O-C 3.23Å; H29-N31 PolarHBondContact ND1-N 2.77Å; H29-N31 PolarHBondContact O-N 3.27Å; N31-I33 PolarHBondContact O-N 3.31Å |
| 32 | T | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -64.2 | 123 | 178.5 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | Q8 I11 F14 I28 H29 E30 E34 L35 N55 I56 | Q8-T32 PolarHBondContact NE2-OG1 2.73Å; I11-T32 WeakPolarHBondContact O-CA 3.22Å; I11-T32 PolarHBondContact O-N 3.48Å; F14-T32 HydrophobicContact CB-CG2 4.09Å; I28-T32 HydrophobicContact CG2-CG2 4.21Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.38Å; H29-T32 VanDerWaalsContact O-CB 3.24Å; H29-T32 WeakPolarHBondContact O-CB 3.49Å; H29-T32 PolarHBondContact O-N 2.87Å; H29-T32 PolarHBondContact O-OG1 3.12Å; E30-T32 PolarHBondContact O-N 3.21Å; T32-E34 WeakPolarHBondContact CG2-O 3.46Å; T32-L35 HydrophobicContact CG2-CB 4.22Å; T32-N55 CarbonylContact O-C 3.59Å; T32-I56 WeakPolarHBondContact O-CG1 3.49Å; T32-I56 PolarHBondContact O-N 2.76Å | ||
| 33 | I | 97.9 | Very high | 94.7 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -99.9 | -41 | 178.2 | -59.9 | 176.2 | 0 | 0 | 0 | 110.2 | E12 N31 Q57 K58 | E12-I33 HydrophobicContact CB-CD1 4.16Å; E12-I33 HydrophobicContact CB-CG1 4.3Å; E12-I33 HydrophobicContact CG-CD1 4.02Å; E12-I33 HydrophobicContact CG-CG1 4.47Å; E12-I33 PolarHBondContact O-N 3.27Å; N31-I33 PolarHBondContact O-N 3.31Å; I33-Q57 HydrophobicContact CG2-CB 3.83Å; I33-Q57 HydrophobicContact CG2-CG 3.86Å; I33-Q57 PolarHBondContact O-N 3.03Å; I33-K58 PolarHBondContact O-N 3.06Å |
| 34 | E | 98 | Very high | 94.9 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.7 | 176.7 | -179.4 | 171.9 | 142.1 | 0 | 0 | 110.7 | E12 I13 F14 H15 T32 K58 | E12-E34 PolarHBondContact O-N 3.29Å; I13-E34 HydrophobicContact CG1-CB 4.37Å; I13-E34 HydrophobicContact CG2-CB 4.38Å; F14-E34 PolarHBondContact N-O 3.13Å; H15-E34 IonicContact CD2-OE1 3.89Å; H15-E34 IonicContact CE1-OE1 3.17Å; H15-E34 IonicContact NE2-OE1 2.86Å; H15-E34 PolarHBondContact NE2-OE1 2.84Å; T32-E34 WeakPolarHBondContact CG2-O 3.46Å; E34-K58 WeakPolarHBondContact CA-O 3.09Å; E34-K58 HydrophobicContact CB-CB 4.4Å; E34-K58 VanDerWaalsContact CD-NZ 3.25Å; E34-K58 HydrophobicContact CG-CB 4.23Å; E34-K58 HydrophobicContact CG-CD 4.1Å; E34-K58 HydrophobicContact CG-CG 4.13Å; E34-K58 IonicContact OE1-NZ 3.05Å; E34-K58 PolarHBondContact OE1-NZ 2.73Å; E34-K58 WeakPolarHBondContact OE2-CD 3.13Å; E34-K58 WeakPolarHBondContact OE2-CE 3.37Å; E34-K58 IonicContact OE2-NZ 3.95Å; E34-K58 PolarHBondContact OE2-NZ 3.21Å |
| 35 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.5 | 176.7 | 179.4 | 58.9 | 0 | 0 | 0 | 110.1 | F14 I28 T32 L37 F50 L53 I56 K58 L59 I60 | F14-L35 HydrophobicContact CB-CD1 4.14Å; F14-L35 HydrophobicContact CD1-CD1 3.7Å; F14-L35 HydrophobicContact CG-CD1 4.34Å; I28-L35 HydrophobicContact CD1-CD1 4Å; I28-L35 HydrophobicContact CD1-CD2 3.95Å; I28-L35 HydrophobicContact CG2-CD1 4.47Å; T32-L35 HydrophobicContact CG2-CB 4.22Å; L35-L37 HydrophobicContact CD1-CD1 4.27Å; L35-L37 HydrophobicContact CD1-CD2 4.17Å; L35-L37 HydrophobicContact CD1-CG 3.94Å; L35-L37 HydrophobicContact CD2-CD1 3.93Å; L35-L37 HydrophobicContact CD2-CG 4.4Å; L35-L37 HydrophobicContact CG-CD1 4.07Å; L35-L37 HydrophobicContact CG-CG 3.99Å; L35-F50 HydrophobicContact CD2-CE1 4.49Å; L35-L53 HydrophobicContact CD2-CD1 4.22Å; L35-I56 HydrophobicContact CB-CD1 4.13Å; L35-I56 HydrophobicContact CD2-CD1 3.8Å; L35-K58 PolarHBondContact N-O 2.74Å; L35-L59 HydrophobicContact CB-CD1 4.16Å; L35-L59 HydrophobicContact CD2-CD1 3.92Å; L35-L59 HydrophobicContact CG-CD1 4.09Å; L35-I60 PolarHBondContact O-N 3.45Å |
| 36 | N | 97.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.8 | 175.4 | -176.8 | -2.7 | 0 | 0 | 0 | 111 | F14 C16 S38 I60 | F14-N36 PolarHBondContact O-N 2.91Å; C16-N36 CarbonylContact C-O 3.54Å; C16-N36 PolarHBondContact N-O 3.1Å; N36-S38 WeakPolarHBondContact OD1-CB 3.45Å; N36-S38 PolarHBondContact OD1-N 2.85Å; N36-S38 PolarHBondContact OD1-OG 3.04Å; N36-I60 HydrophobicContact CB-CB 4.26Å; N36-I60 HydrophobicContact CB-CD1 4.19Å |
| 37 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -119.1 | 25.7 | 177.7 | -64.6 | 173.9 | 0 | 0 | 0 | 111.6 | C16 L21 L24 P25 L35 N40 I42 I60 L61 N64 | C16-L37 HydrophobicContact CB-CD2 4.04Å; L21-L37 HydrophobicContact CD1-CD2 4.11Å; L24-L37 HydrophobicContact CD2-CD1 4.17Å; L24-L37 HydrophobicContact CG-CD1 3.8Å; P25-L37 HydrophobicContact CG-CD2 4.08Å; L35-L37 HydrophobicContact CD1-CD1 4.27Å; L35-L37 HydrophobicContact CD1-CD2 4.17Å; L35-L37 HydrophobicContact CD1-CG 3.94Å; L35-L37 HydrophobicContact CD2-CD1 3.93Å; L35-L37 HydrophobicContact CD2-CG 4.4Å; L35-L37 HydrophobicContact CG-CD1 4.07Å; L35-L37 HydrophobicContact CG-CG 3.99Å; L37-N40 VanDerWaalsContact C-ND2 3.35Å; L37-N40 PolarHBondContact O-ND2 2.83Å; L37-I42 HydrophobicContact CB-CD1 4.19Å; L37-I42 HydrophobicContact CD1-CD1 4.23Å; L37-I60 CarbonylContact C-O 3.57Å; L37-I60 PolarHBondContact N-O 3.37Å; L37-L61 HydrophobicContact CB-CD2 4Å; L37-L61 HydrophobicContact CD1-CD2 4.23Å; L37-N64 PolarHBondContact O-ND2 2.98Å | ||
| 38 | S | 97.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | trans | -64.5 | 158.2 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | S17 H18 N36 N40 I60 A62 | S17-S38 WeakPolarHBondContact CA-O 3.26Å; S17-S38 WeakPolarHBondContact CB-O 3.49Å; H18-S38 PolarHBondContact N-O 3.1Å; N36-S38 WeakPolarHBondContact OD1-CB 3.45Å; N36-S38 PolarHBondContact OD1-N 2.85Å; N36-S38 PolarHBondContact OD1-OG 3.04Å; S38-N40 VanDerWaalsContact C-N 3.32Å; S38-N40 PolarHBondContact O-N 3.05Å; S38-N40 PolarHBondContact O-ND2 2.87Å; S38-I60 PolarHBondContact N-O 3.16Å; S38-A62 CarbonylContact C-O 3.6Å; S38-A62 WeakPolarHBondContact CA-O 3.48Å; S38-A62 WeakPolarHBondContact CB-O 3.46Å | ||
| 39 | Y | 97.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 43% | 0.427 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 57.3 | 42.8 | 177.6 | -60.4 | -91.2 | 0 | 0 | 0 | 113.2 | H18 A62 H63 | H18-Y39 WeakPolarHBondContact CA-O 3.3Å; H18-Y39 AromaticContact CD2-CG 3.84Å; H18-Y39 AromaticContact CE1-CD2 3.3Å; H18-Y39 WeakPolarHBondContact CE1-CD2 3.42Å; H18-Y39 AromaticContact CE1-CE2 3.97Å; H18-Y39 AromaticContact CE1-CG 3.41Å; H18-Y39 VanDerWaalsContact CE1-CG 3.41Å; H18-Y39 PolarHBondContact N-O 3.35Å; H18-Y39 WeakPolarHBondContact NE2-CB 3.17Å; H18-Y39 AromaticContact NE2-CD1 3.58Å; H18-Y39 AromaticContact NE2-CD2 3.59Å; H18-Y39 AromaticContact NE2-CG 3.25Å; H18-Y39 VanDerWaalsContact NE2-CG 3.25Å; Y39-A62 PolarHBondContact N-O 2.81Å; Y39-H63 WeakPolarHBondContact CA-O 3.36Å; Y39-H63 HydrophobicContact CD1-CB 3.62Å; Y39-H63 AromaticContact CD1-CG 3.9Å; Y39-H63 HydrophobicContact CD2-CB 4.29Å; Y39-H63 HydrophobicContact CE1-CB 3.82Å; Y39-H63 AromaticContact CE1-CD2 3.66Å; Y39-H63 AromaticContact CE1-CG 3.54Å; Y39-H63 AromaticContact CE1-ND1 3.92Å; Y39-H63 HydrophobicContact CE2-CB 4.45Å; Y39-H63 AromaticContact CE2-CD2 3.74Å; Y39-H63 HydrophobicContact CG-CB 3.89Å; Y39-H63 AromaticContact CZ-CD2 3.34Å; Y39-H63 AromaticContact CZ-CG 3.73Å; Y39-H63 AromaticContact CZ-NE2 3.76Å; Y39-H63 PolarHBondContact N-O 3.1Å; Y39-H63 PolarHBondContact OH-CD2 2.84Å; Y39-H63 PolarHBondContact OH-NE2 3.27Å |
| 40 | N | 97 | Very high | 96.5 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -116.9 | -167.2 | 173.3 | -75.5 | -58.9 | 0 | 0 | 0 | 109.8 | C16 Y19 G20 L21 L37 S38 I42 H63 N64 | C16-N40 PolarHBondContact O-ND2 3.44Å; Y19-N40 PolarHBondContact N-OD1 2.82Å; G20-N40 PolarHBondContact N-OD1 2.81Å; G20-N40 VanDerWaalsContact N-OD1 3.17Å; L21-N40 HydrophobicContact CB-CB 4.01Å; L21-N40 PolarHBondContact N-OD1 2.86Å; L37-N40 VanDerWaalsContact C-ND2 3.35Å; L37-N40 PolarHBondContact O-ND2 2.83Å; S38-N40 VanDerWaalsContact C-N 3.32Å; S38-N40 PolarHBondContact O-N 3.05Å; S38-N40 PolarHBondContact O-ND2 2.87Å; N40-I42 HydrophobicContact CB-CG1 4.38Å; N40-H63 PolarHBondContact N-O 3.46Å; N40-N64 VanDerWaalsContact CA-OD1 3.3Å; N40-N64 WeakPolarHBondContact CA-OD1 2.81Å; N40-N64 WeakPolarHBondContact CB-OD1 3.32Å; N40-N64 PolarHBondContact N-OD1 2.84Å; N40-N64 PolarHBondContact O-OD1 3.49Å |
| 41 | L | 97.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | trans | -118.4 | 29.2 | -176.1 | -56.4 | 175.2 | 0 | 0 | 0 | 111.1 | L21 T22 E43 N64 K65 | L21-L41 CarbonylContact O-C 3.24Å; L21-L41 VanDerWaalsContact O-CA 3.26Å; L21-L41 WeakPolarHBondContact O-CA 3.33Å; L21-L41 PolarHBondContact O-N 2.92Å; T22-L41 HydrophobicContact CG2-CB 4.2Å; L41-E43 PolarHBondContact O-N 2.86Å; L41-N64 PolarHBondContact N-OD1 3.33Å; L41-K65 HydrophobicContact CD2-CD 4.23Å | ||
| 42 | I | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -69.5 | 128.5 | -178.9 | -58.9 | 168.1 | 0 | 0 | 0 | 109 | L21 L24 L37 N40 L45 L61 N64 K65 I66 | L21-I42 PolarHBondContact O-N 2.87Å; L24-I42 HydrophobicContact CD1-CD1 4.09Å; L24-I42 HydrophobicContact CD1-CG2 4.36Å; L37-I42 HydrophobicContact CB-CD1 4.19Å; L37-I42 HydrophobicContact CD1-CD1 4.23Å; N40-I42 HydrophobicContact CB-CG1 4.38Å; I42-L45 HydrophobicContact CG2-CD2 4.15Å; I42-L61 HydrophobicContact CD1-CD2 4.12Å; I42-N64 HydrophobicContact CB-CB 4.34Å; I42-N64 WeakPolarHBondContact CB-OD1 2.99Å; I42-N64 WeakPolarHBondContact CG1-OD1 3.13Å; I42-N64 PolarHBondContact N-OD1 3.48Å; I42-N64 VanDerWaalsContact N-OD1 3.08Å; I42-K65 CarbonylContact O-C 3.43Å; I42-K65 WeakPolarHBondContact O-CA 3.45Å; I42-K65 PolarHBondContact O-N 3.03Å; I42-I66 HydrophobicContact CB-CG1 4.43Å; I42-I66 HydrophobicContact CG2-CG1 4.2Å; I42-I66 WeakPolarHBondContact O-CG1 3.18Å; I42-I66 PolarHBondContact O-N 3.5Å | ||
| 43 | E | 97.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | trans | -107.6 | -33.9 | -173.3 | -71 | -178.8 | -172.1 | 0 | 0 | 114.2 | L41 K65 I66 Y67 | L41-E43 PolarHBondContact O-N 2.86Å; E43-K65 WeakPolarHBondContact CA-O 3.41Å; E43-K65 HydrophobicContact CG-CB 3.85Å; E43-I66 CarbonylContact O-C 3.54Å; E43-I66 VanDerWaalsContact O-CA 3.29Å; E43-I66 WeakPolarHBondContact O-CA 3.08Å; E43-Y67 HydrophobicContact CB-CD1 4.1Å; E43-Y67 HydrophobicContact CB-CE1 3.92Å; E43-Y67 WeakPolarHBondContact O-CD1 3.5Å; E43-Y67 PolarHBondContact O-N 3.28Å | ||
| 44 | I | 96.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 49 Ų | 49 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135 | -176.1 | -51.5 | 177.2 | 0 | 0 | 0 | 109.3 | H46 Y67 K68 | I44-H46 WeakPolarHBondContact CG2-NE2 3.39Å; I44-Y67 HydrophobicContact CD1-CE1 4.23Å; I44-Y67 WeakPolarHBondContact CD1-OH 3.42Å; I44-Y67 HydrophobicContact CG1-CE1 3.76Å; I44-K68 WeakPolarHBondContact CA-O 3.41Å; I44-K68 HydrophobicContact CG1-CB 4.37Å; I44-K68 HydrophobicContact CG2-CB 4.21Å; I44-K68 HydrophobicContact CG2-CG 4.39Å |
| 45 | L | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.3 | 164.6 | -57.4 | -177.3 | 0 | 0 | 0 | 108.9 | L24 I42 F50 L61 I66 K68 I69 T70 A73 F74 | L24-L45 HydrophobicContact CD1-CD2 4.47Å; I42-L45 HydrophobicContact CG2-CD2 4.15Å; L45-F50 HydrophobicContact CD1-CE2 4.38Å; L45-F50 HydrophobicContact CD1-CZ 4.42Å; L45-F50 HydrophobicContact CD2-CE2 4.5Å; L45-F50 HydrophobicContact CD2-CZ 4.16Å; L45-L61 HydrophobicContact CD1-CD1 3.81Å; L45-L61 HydrophobicContact CD2-CD1 4.21Å; L45-I66 HydrophobicContact CD1-CD1 4.32Å; L45-I66 HydrophobicContact CD2-CD1 4.16Å; L45-I66 HydrophobicContact CG-CD1 4.21Å; L45-I66 HydrophobicContact CG-CG2 4.26Å; L45-K68 PolarHBondContact N-O 3.09Å; L45-I69 HydrophobicContact CB-CG1 4.39Å; L45-I69 HydrophobicContact CB-CG2 4.37Å; L45-I69 HydrophobicContact CD1-CD1 4.3Å; L45-I69 HydrophobicContact CD1-CG1 4.1Å; L45-I69 HydrophobicContact CG-CG1 4.4Å; L45-T70 PolarHBondContact O-N 2.82Å; L45-T70 PolarHBondContact O-OG1 2.78Å; L45-A73 HydrophobicContact CB-CB 3.98Å; L45-F74 HydrophobicContact CD1-CE1 3.99Å; L45-F74 HydrophobicContact CD1-CZ 4.01Å |
| 46 | H | 95.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 41% | 0.407 | 25% | 0.245 | S | C | . | . | trans | -96.9 | 166 | 179.9 | -66.5 | -83.7 | 0 | 0 | 0 | 111.2 | I44 D48 S49 A73 | I44-H46 WeakPolarHBondContact CG2-NE2 3.39Å; H46-D48 WeakPolarHBondContact CB-OD1 2.96Å; H46-D48 PolarHBondContact O-N 2.85Å; H46-S49 PolarHBondContact N-OG 2.82Å; H46-S49 VanDerWaalsContact O-CB 3.31Å; H46-S49 WeakPolarHBondContact O-CB 3.47Å; H46-S49 PolarHBondContact O-N 3.05Å; H46-S49 VanDerWaalsContact O-N 3.13Å; H46-S49 PolarHBondContact O-OG 3.4Å; H46-S49 VanDerWaalsContact O-OG 3.13Å; H46-A73 WeakPolarHBondContact O-CA 3.4Å | ||
| 47 | E | 94.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.6 | 178.4 | 177.8 | 168.5 | -174.8 | 0 | 0 | 112.8 | T70 R72 | E47-T70 PolarHBondContact N-OG1 2.92Å; E47-R72 HydrophobicContact CB-CB 4.02Å; E47-R72 HydrophobicContact CG-CB 3.7Å; E47-R72 VanDerWaalsContact OE1-CD 3.24Å; E47-R72 WeakPolarHBondContact OE1-CD 2.94Å; E47-R72 WeakPolarHBondContact OE2-CD 3.13Å; E47-R72 IonicContact OE2-NH1 3.97Å |
| 48 | D | 92.9 | Very high | 95.9 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.1 | -178.4 | 64.8 | -22 | 0 | 0 | 0 | 114.1 | H46 F50 T51 | H46-D48 WeakPolarHBondContact CB-OD1 2.96Å; H46-D48 PolarHBondContact O-N 2.85Å; D48-F50 VanDerWaalsContact C-N 3.3Å; D48-F50 PolarHBondContact O-N 2.74Å; D48-T51 WeakPolarHBondContact CA-OG1 3.37Å; D48-T51 WeakPolarHBondContact O-CB 3.42Å; D48-T51 PolarHBondContact O-N 3.18Å; D48-T51 VanDerWaalsContact O-N 3.1Å; D48-T51 PolarHBondContact O-OG1 2.87Å |
| 49 | S | 94.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -40.9 | -170.4 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | L24 H46 | L24-S49 WeakPolarHBondContact CD2-O 3.33Å; H46-S49 PolarHBondContact N-OG 2.82Å; H46-S49 VanDerWaalsContact O-CB 3.31Å; H46-S49 WeakPolarHBondContact O-CB 3.47Å; H46-S49 PolarHBondContact O-N 3.05Å; H46-S49 VanDerWaalsContact O-N 3.13Å; H46-S49 PolarHBondContact O-OG 3.4Å; H46-S49 VanDerWaalsContact O-OG 3.13Å |
| 50 | F | 94.8 | Very high | 96 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 22.4 | -178.8 | -51 | -72.4 | 0 | 0 | 0 | 113 | L24 L35 L45 D48 R52 L53 I56 L59 L61 A73 F74 P76 I77 | L24-F50 HydrophobicContact CD2-CD1 3.82Å; L24-F50 HydrophobicContact CD2-CE1 3.57Å; L24-F50 HydrophobicContact CD2-CZ 4.27Å; L35-F50 HydrophobicContact CD2-CE1 4.49Å; L45-F50 HydrophobicContact CD1-CE2 4.38Å; L45-F50 HydrophobicContact CD1-CZ 4.42Å; L45-F50 HydrophobicContact CD2-CE2 4.5Å; L45-F50 HydrophobicContact CD2-CZ 4.16Å; D48-F50 VanDerWaalsContact C-N 3.3Å; D48-F50 PolarHBondContact O-N 2.74Å; F50-R52 PolarHBondContact O-N 3.42Å; F50-L53 HydrophobicContact CD1-CD1 4.38Å; F50-L53 WeakPolarHBondContact O-CB 3.49Å; F50-L53 PolarHBondContact O-N 3.38Å; F50-I56 HydrophobicContact CD1-CD1 4.4Å; F50-L59 HydrophobicContact CD1-CD2 4.46Å; F50-L59 HydrophobicContact CE1-CD1 3.85Å; F50-L59 HydrophobicContact CE1-CD2 3.69Å; F50-L59 HydrophobicContact CE1-CG 4.44Å; F50-L59 HydrophobicContact CE2-CD2 4.17Å; F50-L59 HydrophobicContact CZ-CD1 4.37Å; F50-L59 HydrophobicContact CZ-CD2 3.54Å; F50-L61 HydrophobicContact CZ-CD1 4.25Å; F50-A73 WeakPolarHBondContact CD2-O 3.26Å; F50-F74 HydrophobicContact CD2-CD1 4.48Å; F50-F74 HydrophobicContact CE2-CD1 4.13Å; F50-F74 HydrophobicContact CE2-CE1 4.11Å; F50-P76 HydrophobicContact CB-CB 4.27Å; F50-P76 VanDerWaalsContact O-CB 3.27Å; F50-P76 WeakPolarHBondContact O-CB 3.31Å; F50-I77 HydrophobicContact CB-CD1 4.44Å; F50-I77 HydrophobicContact CB-CG2 3.72Å; F50-I77 HydrophobicContact CD2-CD1 3.96Å; F50-I77 HydrophobicContact CE2-CD1 4.39Å; F50-I77 HydrophobicContact CG-CD1 4.05Å; F50-I77 HydrophobicContact CG-CG2 4.38Å |
| 51 | T | 91.7 | Very high | 96 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.5 | 178.5 | -50.2 | 0 | 0 | 0 | 0 | 110 | D48 L53 | D48-T51 WeakPolarHBondContact CA-OG1 3.37Å; D48-T51 WeakPolarHBondContact O-CB 3.42Å; D48-T51 PolarHBondContact O-N 3.18Å; D48-T51 VanDerWaalsContact O-N 3.1Å; D48-T51 PolarHBondContact O-OG1 2.87Å; T51-L53 VanDerWaalsContact C-N 3.29Å; T51-L53 PolarHBondContact O-N 2.79Å |
| 52 | R | 92 | Very high | 96.1 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 50% | 0.498 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -10 | -174.3 | -48.7 | 174.3 | -69.8 | -179.3 | -1.7 | 116.2 | F50 H54 | F50-R52 PolarHBondContact O-N 3.42Å; R52-H54 PolarHBondContact O-N 2.87Å; R52-H54 VanDerWaalsContact O-N 3.1Å |
| 53 | L | 95.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | -91 | 46 | -174.3 | -53.4 | -179.8 | 0 | 0 | 0 | 112.6 | I28 L35 F50 T51 N55 I56 I77 | I28-L53 HydrophobicContact CB-CD1 4.27Å; I28-L53 HydrophobicContact CB-CD2 3.91Å; I28-L53 HydrophobicContact CD1-CD1 3.93Å; I28-L53 HydrophobicContact CG2-CD1 4.21Å; I28-L53 HydrophobicContact CG2-CD2 3.76Å; L35-L53 HydrophobicContact CD2-CD1 4.22Å; F50-L53 HydrophobicContact CD1-CD1 4.38Å; F50-L53 WeakPolarHBondContact O-CB 3.49Å; F50-L53 PolarHBondContact O-N 3.38Å; T51-L53 VanDerWaalsContact C-N 3.29Å; T51-L53 PolarHBondContact O-N 2.79Å; L53-N55 PolarHBondContact O-N 3.5Å; L53-I56 HydrophobicContact CB-CD1 3.45Å; L53-I56 VanDerWaalsContact CB-CD1 3.45Å; L53-I56 HydrophobicContact CB-CG1 3.88Å; L53-I56 HydrophobicContact CD1-CD1 3.74Å; L53-I56 HydrophobicContact CG-CD1 4.18Å; L53-I56 WeakPolarHBondContact O-CG1 3.48Å; L53-I56 PolarHBondContact O-N 2.8Å; L53-I77 VanDerWaalsContact O-CG2 3.25Å; L53-I77 WeakPolarHBondContact O-CG2 3.34Å | ||
| 54 | H | 94.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 48 Ų | 48 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.2 | -169.5 | -57.2 | -58.2 | 0 | 0 | 0 | 114.4 | R52 P76 S80 | R52-H54 PolarHBondContact O-N 2.87Å; R52-H54 VanDerWaalsContact O-N 3.1Å; H54-P76 PolarHBondContact ND1-O 2.8Å; H54-S80 WeakPolarHBondContact O-CB 3.5Å; H54-S80 PolarHBondContact O-OG 3Å |
| 55 | N | 96.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -1.6 | -176.9 | -63.6 | -47.2 | 0 | 0 | 0 | 114.2 | E30 T32 L53 Q57 | E30-N55 PolarHBondContact O-ND2 3.35Å; E30-N55 VanDerWaalsContact O-ND2 3.14Å; T32-N55 CarbonylContact O-C 3.59Å; L53-N55 PolarHBondContact O-N 3.5Å; N55-Q57 PolarHBondContact O-N 3.37Å; N55-Q57 VanDerWaalsContact O-N 3.13Å |
| 56 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -61.4 | 119.8 | -177.6 | -69.8 | 178.4 | 0 | 0 | 0 | 110.3 | T32 L35 F50 L53 L59 I77 S80 L81 | T32-I56 WeakPolarHBondContact O-CG1 3.49Å; T32-I56 PolarHBondContact O-N 2.76Å; L35-I56 HydrophobicContact CB-CD1 4.13Å; L35-I56 HydrophobicContact CD2-CD1 3.8Å; F50-I56 HydrophobicContact CD1-CD1 4.4Å; L53-I56 HydrophobicContact CB-CD1 3.45Å; L53-I56 VanDerWaalsContact CB-CD1 3.45Å; L53-I56 HydrophobicContact CB-CG1 3.88Å; L53-I56 HydrophobicContact CD1-CD1 3.74Å; L53-I56 HydrophobicContact CG-CD1 4.18Å; L53-I56 WeakPolarHBondContact O-CG1 3.48Å; L53-I56 PolarHBondContact O-N 2.8Å; I56-L59 HydrophobicContact CG2-CB 4.1Å; I56-I77 HydrophobicContact CB-CG2 4.27Å; I56-I77 HydrophobicContact CD1-CG2 4.46Å; I56-S80 CarbonylContact O-C 3.4Å; I56-S80 WeakPolarHBondContact O-CB 3.44Å; I56-S80 PolarHBondContact O-OG 2.81Å; I56-S80 VanDerWaalsContact O-OG 3.14Å; I56-L81 HydrophobicContact CG2-CD1 3.81Å; I56-L81 WeakPolarHBondContact O-CA 3.22Å; I56-L81 PolarHBondContact O-N 2.86Å | ||
| 57 | Q | 98.3 | Very high | 96.3 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | trans | -102.7 | -30.8 | 171.9 | -64.8 | 178.1 | 20.1 | 0 | 0 | 111.9 | I33 N55 S80 I82 W83 | I33-Q57 HydrophobicContact CG2-CB 3.83Å; I33-Q57 HydrophobicContact CG2-CG 3.86Å; I33-Q57 PolarHBondContact O-N 3.03Å; N55-Q57 PolarHBondContact O-N 3.37Å; N55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-S80 WeakPolarHBondContact CA-O 3.49Å; Q57-I82 HydrophobicContact CB-CD1 4.28Å; Q57-I82 HydrophobicContact CG-CD1 4.21Å; Q57-I82 WeakPolarHBondContact O-CA 3.47Å; Q57-I82 PolarHBondContact O-N 2.71Å; Q57-W83 PolarHBondContact O-N 2.6Å | ||
| 58 | K | 98.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 27% | 0.274 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 115.1 | -177.5 | 178.9 | 169.1 | 161 | -151.7 | 0 | 111.1 | I33 E34 L35 I60 W83 | I33-K58 PolarHBondContact O-N 3.06Å; E34-K58 WeakPolarHBondContact CA-O 3.09Å; E34-K58 HydrophobicContact CB-CB 4.4Å; E34-K58 VanDerWaalsContact CD-NZ 3.25Å; E34-K58 HydrophobicContact CG-CB 4.23Å; E34-K58 HydrophobicContact CG-CD 4.1Å; E34-K58 HydrophobicContact CG-CG 4.13Å; E34-K58 IonicContact OE1-NZ 3.05Å; E34-K58 PolarHBondContact OE1-NZ 2.73Å; E34-K58 WeakPolarHBondContact OE2-CD 3.13Å; E34-K58 WeakPolarHBondContact OE2-CE 3.37Å; E34-K58 IonicContact OE2-NZ 3.95Å; E34-K58 PolarHBondContact OE2-NZ 3.21Å; L35-K58 PolarHBondContact N-O 2.74Å; K58-I60 HydrophobicContact CG-CG1 4.38Å; K58-W83 WeakPolarHBondContact CA-O 3.26Å; K58-W83 HydrophobicContact CB-CB 4.11Å; K58-W83 HydrophobicContact CD-CG 4.31Å; K58-W83 HydrophobicContact CG-CB 4Å; K58-W83 HydrophobicContact CG-CG 3.99Å |
| 59 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.7 | -179.7 | -179.8 | 57.8 | 0 | 0 | 0 | 110 | L35 F50 I56 L61 I77 L81 W83 L84 D85 | L35-L59 HydrophobicContact CB-CD1 4.16Å; L35-L59 HydrophobicContact CD2-CD1 3.92Å; L35-L59 HydrophobicContact CG-CD1 4.09Å; F50-L59 HydrophobicContact CD1-CD2 4.46Å; F50-L59 HydrophobicContact CE1-CD1 3.85Å; F50-L59 HydrophobicContact CE1-CD2 3.69Å; F50-L59 HydrophobicContact CE1-CG 4.44Å; F50-L59 HydrophobicContact CE2-CD2 4.17Å; F50-L59 HydrophobicContact CZ-CD1 4.37Å; F50-L59 HydrophobicContact CZ-CD2 3.54Å; I56-L59 HydrophobicContact CG2-CB 4.1Å; L59-L61 HydrophobicContact CD1-CD1 4.25Å; L59-L61 HydrophobicContact CD1-CG 4.08Å; L59-L61 HydrophobicContact CD2-CD1 3.85Å; L59-L61 HydrophobicContact CG-CD1 3.91Å; L59-L61 HydrophobicContact CG-CG 4.07Å; L59-I77 HydrophobicContact CD2-CD1 3.91Å; L59-L81 HydrophobicContact CB-CD1 3.66Å; L59-W83 PolarHBondContact N-O 3.43Å; L59-L84 HydrophobicContact CB-CD1 4.19Å; L59-L84 HydrophobicContact CD2-CD1 3.96Å; L59-L84 HydrophobicContact CG-CD1 4.12Å; L59-D85 PolarHBondContact O-N 2.85Å |
| 60 | I | 98.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.1 | 177.2 | -55 | 168.2 | 0 | 0 | 0 | 109.3 | L35 N36 L37 S38 K58 A62 D85 | L35-I60 PolarHBondContact O-N 3.45Å; N36-I60 HydrophobicContact CB-CB 4.26Å; N36-I60 HydrophobicContact CB-CD1 4.19Å; L37-I60 CarbonylContact C-O 3.57Å; L37-I60 PolarHBondContact N-O 3.37Å; S38-I60 PolarHBondContact N-O 3.16Å; K58-I60 HydrophobicContact CG-CG1 4.38Å; I60-A62 HydrophobicContact CG2-CB 4.18Å; I60-D85 HydrophobicContact CG1-CB 4.45Å; I60-D85 HydrophobicContact CG2-CB 4.26Å |
| 61 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -121.3 | 17.4 | 177.9 | -71.5 | 165.5 | 0 | 0 | 0 | 111.9 | L37 I42 L45 F50 L59 N64 I66 D85 L86 N89 | L37-L61 HydrophobicContact CB-CD2 4Å; L37-L61 HydrophobicContact CD1-CD2 4.23Å; I42-L61 HydrophobicContact CD1-CD2 4.12Å; L45-L61 HydrophobicContact CD1-CD1 3.81Å; L45-L61 HydrophobicContact CD2-CD1 4.21Å; F50-L61 HydrophobicContact CZ-CD1 4.25Å; L59-L61 HydrophobicContact CD1-CD1 4.25Å; L59-L61 HydrophobicContact CD1-CG 4.08Å; L59-L61 HydrophobicContact CD2-CD1 3.85Å; L59-L61 HydrophobicContact CG-CD1 3.91Å; L59-L61 HydrophobicContact CG-CG 4.07Å; L61-N64 PolarHBondContact O-ND2 2.84Å; L61-I66 HydrophobicContact CB-CD1 3.97Å; L61-I66 HydrophobicContact CD1-CD1 4.15Å; L61-I66 HydrophobicContact CD2-CD1 4.32Å; L61-I66 HydrophobicContact CG-CD1 4.39Å; L61-D85 CarbonylContact C-O 3.59Å; L61-D85 WeakPolarHBondContact CA-O 3.38Å; L61-D85 PolarHBondContact N-O 2.77Å; L61-L86 HydrophobicContact CB-CD2 3.98Å; L61-L86 HydrophobicContact CD1-CD2 3.94Å; L61-N89 PolarHBondContact O-ND2 3.05Å | ||
| 62 | A | 98.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -55.6 | 146 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S38 Y39 I60 N64 D85 R87 | S38-A62 CarbonylContact C-O 3.6Å; S38-A62 WeakPolarHBondContact CA-O 3.48Å; S38-A62 WeakPolarHBondContact CB-O 3.46Å; Y39-A62 PolarHBondContact N-O 2.81Å; I60-A62 HydrophobicContact CG2-CB 4.18Å; A62-N64 PolarHBondContact O-ND2 3.43Å; A62-D85 PolarHBondContact N-O 3.45Å; A62-R87 CarbonylContact C-O 3.6Å; A62-R87 VanDerWaalsContact CA-O 3.23Å; A62-R87 WeakPolarHBondContact CA-O 3.44Å; A62-R87 HydrophobicContact CB-CG 3.61Å | ||
| 63 | H | 98.4 | Very high | 97.1 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 57 | 49.8 | 177.4 | -59.6 | -86.1 | 0 | 0 | 0 | 113.2 | Y39 N40 R87 F88 | Y39-H63 WeakPolarHBondContact CA-O 3.36Å; Y39-H63 HydrophobicContact CD1-CB 3.62Å; Y39-H63 AromaticContact CD1-CG 3.9Å; Y39-H63 HydrophobicContact CD2-CB 4.29Å; Y39-H63 HydrophobicContact CE1-CB 3.82Å; Y39-H63 AromaticContact CE1-CD2 3.66Å; Y39-H63 AromaticContact CE1-CG 3.54Å; Y39-H63 AromaticContact CE1-ND1 3.92Å; Y39-H63 HydrophobicContact CE2-CB 4.45Å; Y39-H63 AromaticContact CE2-CD2 3.74Å; Y39-H63 HydrophobicContact CG-CB 3.89Å; Y39-H63 AromaticContact CZ-CD2 3.34Å; Y39-H63 AromaticContact CZ-CG 3.73Å; Y39-H63 AromaticContact CZ-NE2 3.76Å; Y39-H63 PolarHBondContact N-O 3.1Å; Y39-H63 PolarHBondContact OH-CD2 2.84Å; Y39-H63 PolarHBondContact OH-NE2 3.27Å; N40-H63 PolarHBondContact N-O 3.46Å; H63-R87 PolarHBondContact N-O 3.49Å; H63-F88 VanDerWaalsContact CA-O 3.24Å; H63-F88 WeakPolarHBondContact CA-O 3.02Å; H63-F88 AromaticContact CE1-CD2 3.21Å; H63-F88 WeakPolarHBondContact CE1-CD2 3.48Å; H63-F88 AromaticContact CE1-CE2 3.97Å; H63-F88 AromaticContact CE1-CG 3.51Å; H63-F88 PolarHBondContact N-O 2.96Å; H63-F88 WeakPolarHBondContact ND1-CB 2.96Å; H63-F88 AromaticContact ND1-CD2 3.99Å; H63-F88 AromaticContact ND1-CG 3.9Å; H63-F88 AromaticContact NE2-CD2 3.36Å; H63-F88 WeakPolarHBondContact NE2-CD2 3.27Å |
| 64 | N | 98.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -112.9 | -168.4 | 168.6 | -84.1 | -82.6 | 0 | 0 | 0 | 109.8 | L37 N40 L41 I42 L61 A62 I66 N89 | L37-N64 PolarHBondContact O-ND2 2.98Å; N40-N64 VanDerWaalsContact CA-OD1 3.3Å; N40-N64 WeakPolarHBondContact CA-OD1 2.81Å; N40-N64 WeakPolarHBondContact CB-OD1 3.32Å; N40-N64 PolarHBondContact N-OD1 2.84Å; N40-N64 PolarHBondContact O-OD1 3.49Å; L41-N64 PolarHBondContact N-OD1 3.33Å; I42-N64 HydrophobicContact CB-CB 4.34Å; I42-N64 WeakPolarHBondContact CB-OD1 2.99Å; I42-N64 WeakPolarHBondContact CG1-OD1 3.13Å; I42-N64 PolarHBondContact N-OD1 3.48Å; I42-N64 VanDerWaalsContact N-OD1 3.08Å; L61-N64 PolarHBondContact O-ND2 2.84Å; A62-N64 PolarHBondContact O-ND2 3.43Å; N64-I66 HydrophobicContact CB-CD1 4.17Å; N64-I66 HydrophobicContact CB-CG1 3.95Å; N64-N89 VanDerWaalsContact CA-OD1 3.3Å; N64-N89 WeakPolarHBondContact CA-OD1 3.21Å; N64-N89 WeakPolarHBondContact CB-OD1 3.42Å; N64-N89 PolarHBondContact N-OD1 3.32Å; N64-N89 PolarHBondContact O-OD1 3.18Å |
| 65 | K | 97.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | trans | -110.5 | 27.9 | 176.9 | -66.7 | -176.2 | 173.2 | -179.7 | 0 | 111.7 | L41 I42 E43 Y67 Q90 | L41-K65 HydrophobicContact CD2-CD 4.23Å; I42-K65 CarbonylContact O-C 3.43Å; I42-K65 WeakPolarHBondContact O-CA 3.45Å; I42-K65 PolarHBondContact O-N 3.03Å; E43-K65 WeakPolarHBondContact CA-O 3.41Å; E43-K65 HydrophobicContact CG-CB 3.85Å; K65-Y67 PolarHBondContact O-N 3.34Å; K65-Q90 PolarHBondContact O-OE1 3.25Å | ||
| 66 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -68 | 110.8 | -170.2 | -58.3 | 168.6 | 0 | 0 | 0 | 108.7 | I42 E43 L45 L61 N64 I69 L86 N89 Q90 L91 | I42-I66 HydrophobicContact CB-CG1 4.43Å; I42-I66 HydrophobicContact CG2-CG1 4.2Å; I42-I66 WeakPolarHBondContact O-CG1 3.18Å; I42-I66 PolarHBondContact O-N 3.5Å; E43-I66 CarbonylContact O-C 3.54Å; E43-I66 VanDerWaalsContact O-CA 3.29Å; E43-I66 WeakPolarHBondContact O-CA 3.08Å; L45-I66 HydrophobicContact CD1-CD1 4.32Å; L45-I66 HydrophobicContact CD2-CD1 4.16Å; L45-I66 HydrophobicContact CG-CD1 4.21Å; L45-I66 HydrophobicContact CG-CG2 4.26Å; L61-I66 HydrophobicContact CB-CD1 3.97Å; L61-I66 HydrophobicContact CD1-CD1 4.15Å; L61-I66 HydrophobicContact CD2-CD1 4.32Å; L61-I66 HydrophobicContact CG-CD1 4.39Å; N64-I66 HydrophobicContact CB-CD1 4.17Å; N64-I66 HydrophobicContact CB-CG1 3.95Å; I66-I69 HydrophobicContact CG2-CG1 3.98Å; I66-L86 HydrophobicContact CD1-CD2 4.08Å; I66-N89 HydrophobicContact CB-CB 4.2Å; I66-N89 VanDerWaalsContact CB-OD1 3.31Å; I66-N89 WeakPolarHBondContact CB-OD1 3.37Å; I66-N89 VanDerWaalsContact CG1-OD1 3.32Å; I66-N89 WeakPolarHBondContact CG1-OD1 3.24Å; I66-N89 PolarHBondContact N-OD1 3.2Å; I66-Q90 CarbonylContact O-C 3.1Å; I66-Q90 WeakPolarHBondContact O-CA 3.28Å; I66-Q90 PolarHBondContact O-N 3.48Å; I66-L91 HydrophobicContact CG2-CD2 4.01Å; I66-L91 PolarHBondContact O-N 2.88Å; I66-L91 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Y | 95.6 | Very high | 97.1 | Very high | 106 Ų | 106 | 44.4 Ų | 44.4 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | trans | -108.3 | -17.9 | 176.6 | 74.6 | -92.3 | 0 | 0 | 0 | 112.5 | E43 I44 K65 Q90 | E43-Y67 HydrophobicContact CB-CD1 4.1Å; E43-Y67 HydrophobicContact CB-CE1 3.92Å; E43-Y67 WeakPolarHBondContact O-CD1 3.5Å; E43-Y67 PolarHBondContact O-N 3.28Å; I44-Y67 HydrophobicContact CD1-CE1 4.23Å; I44-Y67 WeakPolarHBondContact CD1-OH 3.42Å; I44-Y67 HydrophobicContact CG1-CE1 3.76Å; K65-Y67 PolarHBondContact O-N 3.34Å; Y67-Q90 WeakPolarHBondContact CA-O 2.98Å | ||
| 68 | K | 95.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 50% | 0.5 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.3 | -179.6 | -173.5 | 172.5 | -176.4 | 175.5 | 0 | 112 | I44 L45 | I44-K68 WeakPolarHBondContact CA-O 3.41Å; I44-K68 HydrophobicContact CG1-CB 4.37Å; I44-K68 HydrophobicContact CG2-CB 4.21Å; I44-K68 HydrophobicContact CG2-CG 4.39Å; L45-K68 PolarHBondContact N-O 3.09Å |
| 69 | I | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.9 | 169.8 | -59.2 | 175.7 | 0 | 0 | 0 | 106 | L45 I66 A73 F74 L86 L91 P100 A103 F104 | L45-I69 HydrophobicContact CB-CG1 4.39Å; L45-I69 HydrophobicContact CB-CG2 4.37Å; L45-I69 HydrophobicContact CD1-CD1 4.3Å; L45-I69 HydrophobicContact CD1-CG1 4.1Å; L45-I69 HydrophobicContact CG-CG1 4.4Å; I66-I69 HydrophobicContact CG2-CG1 3.98Å; I69-A73 HydrophobicContact CG2-CB 3.65Å; I69-F74 HydrophobicContact CD1-CE2 4.39Å; I69-F74 HydrophobicContact CD1-CZ 4.22Å; I69-F74 HydrophobicContact CG2-CD2 4.39Å; I69-F74 HydrophobicContact CG2-CE2 3.77Å; I69-F74 HydrophobicContact CG2-CZ 4.09Å; I69-L86 HydrophobicContact CD1-CD1 4.15Å; I69-L91 HydrophobicContact CD1-CD1 4.19Å; I69-L91 HydrophobicContact CD1-CD2 3.97Å; I69-L91 HydrophobicContact CG1-CD2 4.03Å; I69-P100 HydrophobicContact CB-CG 4.44Å; I69-A103 HydrophobicContact CG2-CB 3.85Å; I69-F104 HydrophobicContact CD1-CE2 4.03Å; I69-F104 HydrophobicContact CD1-CZ 4.19Å |
| 70 | T | 95.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | trans | -68.5 | 154.1 | 177.6 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | L45 E47 R72 A73 A103 | L45-T70 PolarHBondContact O-N 2.82Å; L45-T70 PolarHBondContact O-OG1 2.78Å; E47-T70 PolarHBondContact N-OG1 2.92Å; T70-R72 PolarHBondContact O-N 3Å; T70-A73 WeakPolarHBondContact O-CB 3.07Å; T70-A73 PolarHBondContact O-N 2Å; T70-A73 PolarHBondContact OG1-N 2.74Å; T70-A103 WeakPolarHBondContact O-CB 3.38Å | ||
| 71 | E | 95.2 | Very high | 96.6 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.9 | -176.1 | -61.2 | 178.7 | 173.3 | 0 | 0 | 113.7 | L102 A103 Q106 | E71-L102 HydrophobicContact CB-CB 4.13Å; E71-L102 VanDerWaalsContact CD-CD1 3.49Å; E71-L102 HydrophobicContact CG-CB 4.14Å; E71-L102 HydrophobicContact CG-CD1 4.03Å; E71-A103 WeakPolarHBondContact O-CA 3.44Å; E71-Q106 PolarHBondContact O-NE2 3.49Å |
| 72 | R | 96.2 | Very high | 96.6 | Very high | 135 Ų | 135 | 49.2 Ų | 49.2 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 7.1 | -176.9 | -66.5 | -172.4 | -177.5 | 145.8 | 2.9 | 114.2 | E47 T70 F74 L75 | E47-R72 HydrophobicContact CB-CB 4.02Å; E47-R72 HydrophobicContact CG-CB 3.7Å; E47-R72 VanDerWaalsContact OE1-CD 3.24Å; E47-R72 WeakPolarHBondContact OE1-CD 2.94Å; E47-R72 WeakPolarHBondContact OE2-CD 3.13Å; E47-R72 IonicContact OE2-NH1 3.97Å; T70-R72 PolarHBondContact O-N 3Å; R72-F74 PolarHBondContact O-N 2.85Å; R72-F74 VanDerWaalsContact O-N 3.12Å; R72-L75 HydrophobicContact CB-CD1 3.59Å; R72-L75 HydrophobicContact CB-CG 3.95Å; R72-L75 HydrophobicContact CG-CD1 3.59Å; R72-L75 HydrophobicContact CG-CG 4.21Å; R72-L75 PolarHBondContact O-N 3.17Å; R72-L75 VanDerWaalsContact O-N 3.11Å |
| 73 | A | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L45 H46 F50 I69 T70 | L45-A73 HydrophobicContact CB-CB 3.98Å; H46-A73 WeakPolarHBondContact O-CA 3.4Å; F50-A73 WeakPolarHBondContact CD2-O 3.26Å; I69-A73 HydrophobicContact CG2-CB 3.65Å; T70-A73 WeakPolarHBondContact O-CB 3.07Å; T70-A73 PolarHBondContact O-N 2Å; T70-A73 PolarHBondContact OG1-N 2.74Å |
| 74 | F | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -0.5 | -176.9 | -60.3 | -53.3 | 0 | 0 | 0 | 114.6 | L45 F50 I69 R72 P76 I77 M78 L84 A103 F104 L107 | L45-F74 HydrophobicContact CD1-CE1 3.99Å; L45-F74 HydrophobicContact CD1-CZ 4.01Å; F50-F74 HydrophobicContact CD2-CD1 4.48Å; F50-F74 HydrophobicContact CE2-CD1 4.13Å; F50-F74 HydrophobicContact CE2-CE1 4.11Å; I69-F74 HydrophobicContact CD1-CE2 4.39Å; I69-F74 HydrophobicContact CD1-CZ 4.22Å; I69-F74 HydrophobicContact CG2-CD2 4.39Å; I69-F74 HydrophobicContact CG2-CE2 3.77Å; I69-F74 HydrophobicContact CG2-CZ 4.09Å; R72-F74 PolarHBondContact O-N 2.85Å; R72-F74 VanDerWaalsContact O-N 3.12Å; F74-P76 VanDerWaalsContact C-N 3.3Å; F74-I77 HydrophobicContact CB-CG1 4.4Å; F74-I77 HydrophobicContact CD1-CD1 4.03Å; F74-I77 HydrophobicContact CD1-CG1 4.39Å; F74-I77 CarbonylContact O-C 3.17Å; F74-I77 WeakPolarHBondContact O-CG1 3.08Å; F74-I77 PolarHBondContact O-N 2.86Å; F74-M78 PolarHBondContact O-N 2.82Å; F74-L84 HydrophobicContact CE1-CD2 4.47Å; F74-L84 HydrophobicContact CE2-CD2 4.47Å; F74-L84 HydrophobicContact CZ-CD2 4.06Å; F74-A103 HydrophobicContact CD2-CB 4.16Å; F74-A103 HydrophobicContact CE2-CB 4.42Å; F74-F104 HydrophobicContact CE2-CE2 4.41Å; F74-F104 HydrophobicContact CE2-CZ 4.48Å; F74-L107 HydrophobicContact CB-CD2 3.73Å; F74-L107 HydrophobicContact CB-CG 4.4Å; F74-L107 HydrophobicContact CD2-CD1 3.94Å; F74-L107 HydrophobicContact CD2-CD2 4.31Å; F74-L107 HydrophobicContact CD2-CG 4.26Å; F74-L107 HydrophobicContact CE2-CD1 4.19Å; F74-L107 HydrophobicContact CG-CD1 4.39Å; F74-L107 HydrophobicContact CG-CD2 4.02Å; F74-L107 HydrophobicContact CG-CG 4.46Å |
| 75 | L | 95.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.277 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -51.7 | -42.9 | -179.4 | -73.8 | -179 | 0 | 0 | 0 | 113.1 | R72 I77 M78 Q106 | R72-L75 HydrophobicContact CB-CD1 3.59Å; R72-L75 HydrophobicContact CB-CG 3.95Å; R72-L75 HydrophobicContact CG-CD1 3.59Å; R72-L75 HydrophobicContact CG-CG 4.21Å; R72-L75 PolarHBondContact O-N 3.17Å; R72-L75 VanDerWaalsContact O-N 3.11Å; L75-I77 PolarHBondContact O-N 2.65Å; L75-M78 HydrophobicContact CB-CE 3.91Å; L75-M78 HydrophobicContact CD2-CE 3.35Å; L75-M78 HydrophobicContact CD2-SD 4.36Å; L75-M78 HydrophobicContact CG-CE 4.21Å; L75-M78 WeakPolarHBondContact O-CE 3.08Å; L75-M78 WeakPolarHBondContact O-CG 3.36Å; L75-M78 PolarHBondContact O-N 3.13Å; L75-Q106 HydrophobicContact CD2-CG 4.15Å |
| 76 | P | 95.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -64 | -23.5 | -178 | -24.3 | 35.9 | 0 | 0 | 0 | 114.8 | F50 H54 F74 | F50-P76 HydrophobicContact CB-CB 4.27Å; F50-P76 VanDerWaalsContact O-CB 3.27Å; F50-P76 WeakPolarHBondContact O-CB 3.31Å; H54-P76 PolarHBondContact ND1-O 2.8Å; F74-P76 VanDerWaalsContact C-N 3.3Å |
| 77 | I | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -118.9 | 9.1 | -173.6 | 64.9 | 177.7 | 0 | 0 | 0 | 113.1 | F50 L53 I56 L59 F74 L75 N79 S80 L81 | F50-I77 HydrophobicContact CB-CD1 4.44Å; F50-I77 HydrophobicContact CB-CG2 3.72Å; F50-I77 HydrophobicContact CD2-CD1 3.96Å; F50-I77 HydrophobicContact CE2-CD1 4.39Å; F50-I77 HydrophobicContact CG-CD1 4.05Å; F50-I77 HydrophobicContact CG-CG2 4.38Å; L53-I77 VanDerWaalsContact O-CG2 3.25Å; L53-I77 WeakPolarHBondContact O-CG2 3.34Å; I56-I77 HydrophobicContact CB-CG2 4.27Å; I56-I77 HydrophobicContact CD1-CG2 4.46Å; L59-I77 HydrophobicContact CD2-CD1 3.91Å; F74-I77 HydrophobicContact CB-CG1 4.4Å; F74-I77 HydrophobicContact CD1-CD1 4.03Å; F74-I77 HydrophobicContact CD1-CG1 4.39Å; F74-I77 CarbonylContact O-C 3.17Å; F74-I77 WeakPolarHBondContact O-CG1 3.08Å; F74-I77 PolarHBondContact O-N 2.86Å; L75-I77 PolarHBondContact O-N 2.65Å; I77-N79 PolarHBondContact O-N 2.97Å; I77-N79 VanDerWaalsContact O-N 3.13Å; I77-S80 PolarHBondContact O-N 2.87Å; I77-S80 PolarHBondContact O-OG 2.69Å; I77-L81 HydrophobicContact CD1-CD1 4.26Å; I77-L81 HydrophobicContact CD1-CD2 3.94Å; I77-L81 HydrophobicContact CD1-CG 4.48Å; I77-L81 HydrophobicContact CG1-CB 4.46Å; I77-L81 HydrophobicContact CG1-CD2 4.45Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 PolarHBondContact O-N 2.68Å |
| 78 | M | 94.7 | Very high | 96.9 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.6 | -173.5 | 74.2 | 172.1 | 102.5 | 0 | 0 | 113.5 | F74 L75 Q106 | F74-M78 PolarHBondContact O-N 2.82Å; L75-M78 HydrophobicContact CB-CE 3.91Å; L75-M78 HydrophobicContact CD2-CE 3.35Å; L75-M78 HydrophobicContact CD2-SD 4.36Å; L75-M78 HydrophobicContact CG-CE 4.21Å; L75-M78 WeakPolarHBondContact O-CE 3.08Å; L75-M78 WeakPolarHBondContact O-CG 3.36Å; L75-M78 PolarHBondContact O-N 3.13Å; M78-Q106 HydrophobicContact CB-CB 4.24Å |
| 79 | N | 94.6 | Very high | 97 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.3 | -175.2 | -68.4 | -34.9 | 0 | 0 | 0 | 114.1 | I77 | I77-N79 PolarHBondContact O-N 2.97Å; I77-N79 VanDerWaalsContact O-N 3.13Å |
| 80 | S | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -27 | -173.5 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | H54 I56 Q57 I77 I82 | H54-S80 WeakPolarHBondContact O-CB 3.5Å; H54-S80 PolarHBondContact O-OG 3Å; I56-S80 CarbonylContact O-C 3.4Å; I56-S80 WeakPolarHBondContact O-CB 3.44Å; I56-S80 PolarHBondContact O-OG 2.81Å; I56-S80 VanDerWaalsContact O-OG 3.14Å; Q57-S80 WeakPolarHBondContact CA-O 3.49Å; I77-S80 PolarHBondContact O-N 2.87Å; I77-S80 PolarHBondContact O-OG 2.69Å; S80-I82 PolarHBondContact O-N 3.49Å |
| 81 | L | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -67.5 | 126 | -173.9 | -167 | 68 | 0 | 0 | 0 | 112.1 | I56 L59 I77 L84 L107 Y109 V110 | I56-L81 HydrophobicContact CG2-CD1 3.81Å; I56-L81 WeakPolarHBondContact O-CA 3.22Å; I56-L81 PolarHBondContact O-N 2.86Å; L59-L81 HydrophobicContact CB-CD1 3.66Å; I77-L81 HydrophobicContact CD1-CD1 4.26Å; I77-L81 HydrophobicContact CD1-CD2 3.94Å; I77-L81 HydrophobicContact CD1-CG 4.48Å; I77-L81 HydrophobicContact CG1-CB 4.46Å; I77-L81 HydrophobicContact CG1-CD2 4.45Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 PolarHBondContact O-N 2.68Å; L81-L84 HydrophobicContact CD2-CB 4.14Å; L81-L84 HydrophobicContact CD2-CD1 4.36Å; L81-L84 HydrophobicContact CD2-CD2 4.2Å; L81-L84 HydrophobicContact CD2-CG 4.48Å; L81-L107 HydrophobicContact CB-CD2 4.5Å; L81-L107 HydrophobicContact CD2-CD1 4.49Å; L81-L107 HydrophobicContact CD2-CD2 3.79Å; L81-Y109 CarbonylContact O-C 3.44Å; L81-V110 HydrophobicContact CB-CG2 4.04Å; L81-V110 HydrophobicContact CD2-CG2 3.95Å; L81-V110 HydrophobicContact CG-CG2 3.85Å; L81-V110 WeakPolarHBondContact O-CG2 2.91Å; L81-V110 PolarHBondContact O-N 3.16Å | ||
| 82 | I | 98.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | trans | -116.6 | -34.9 | 180 | -64.6 | 169.6 | 0 | 0 | 0 | 111.2 | Q57 S80 S111 Y112 | Q57-I82 HydrophobicContact CB-CD1 4.28Å; Q57-I82 HydrophobicContact CG-CD1 4.21Å; Q57-I82 WeakPolarHBondContact O-CA 3.47Å; Q57-I82 PolarHBondContact O-N 2.71Å; S80-I82 PolarHBondContact O-N 3.49Å; I82-S111 PolarHBondContact O-N 3.07Å; I82-Y112 PolarHBondContact O-N 3.3Å; I82-Y112 VanDerWaalsContact O-N 3.13Å | ||
| 83 | W | 98.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 34% | 0.341 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.8 | -174 | -172.9 | -70.4 | 0 | 0 | 0 | 110.5 | Q57 K58 L59 Y112 | Q57-W83 PolarHBondContact O-N 2.6Å; K58-W83 WeakPolarHBondContact CA-O 3.26Å; K58-W83 HydrophobicContact CB-CB 4.11Å; K58-W83 HydrophobicContact CD-CG 4.31Å; K58-W83 HydrophobicContact CG-CB 4Å; K58-W83 HydrophobicContact CG-CG 3.99Å; L59-W83 PolarHBondContact N-O 3.43Å; W83-Y112 AromaticContact CD1-CD1 3.81Å; W83-Y112 AromaticContact CD2-CD1 3.47Å; W83-Y112 HydrophobicContact CD2-CD1 3.47Å; W83-Y112 VanDerWaalsContact CD2-CD1 3.47Å; W83-Y112 HydrophobicContact CD2-CD2 4.19Å; W83-Y112 HydrophobicContact CD2-CE1 4.17Å; W83-Y112 AromaticContact CD2-CG 3.48Å; W83-Y112 HydrophobicContact CD2-CG 3.48Å; W83-Y112 VanDerWaalsContact CD2-CG 3.48Å; W83-Y112 AromaticContact CE2-CD1 3.2Å; W83-Y112 AromaticContact CE2-CD2 3.97Å; W83-Y112 AromaticContact CE2-CE1 3.4Å; W83-Y112 VanDerWaalsContact CE2-CE1 3.4Å; W83-Y112 AromaticContact CE2-CG 3.51Å; W83-Y112 AromaticContact CE2-CZ 3.88Å; W83-Y112 HydrophobicContact CE3-CD1 4Å; W83-Y112 AromaticContact CE3-CD2 3.93Å; W83-Y112 HydrophobicContact CE3-CD2 3.93Å; W83-Y112 AromaticContact CE3-CG 3.48Å; W83-Y112 HydrophobicContact CE3-CG 3.48Å; W83-Y112 VanDerWaalsContact CE3-CG 3.48Å; W83-Y112 AromaticContact CG-CD1 3.86Å; W83-Y112 HydrophobicContact CG-CD1 3.86Å; W83-Y112 HydrophobicContact CG-CG 4.2Å; W83-Y112 HydrophobicContact CH2-CD1 4.06Å; W83-Y112 AromaticContact CH2-CD2 3.2Å; W83-Y112 HydrophobicContact CH2-CD2 3.2Å; W83-Y112 HydrophobicContact CH2-CE1 4.2Å; W83-Y112 AromaticContact CH2-CE2 3.37Å; W83-Y112 HydrophobicContact CH2-CE2 3.37Å; W83-Y112 AromaticContact CH2-CG 3.58Å; W83-Y112 HydrophobicContact CH2-CG 3.58Å; W83-Y112 AromaticContact CH2-CZ 3.88Å; W83-Y112 AromaticContact CZ2-CD1 3.54Å; W83-Y112 HydrophobicContact CZ2-CD1 3.54Å; W83-Y112 AromaticContact CZ2-CD2 3.51Å; W83-Y112 HydrophobicContact CZ2-CD2 3.51Å; W83-Y112 AromaticContact CZ2-CE1 3.43Å; W83-Y112 HydrophobicContact CZ2-CE1 3.43Å; W83-Y112 VanDerWaalsContact CZ2-CE1 3.43Å; W83-Y112 AromaticContact CZ2-CE2 3.4Å; W83-Y112 HydrophobicContact CZ2-CE2 3.4Å; W83-Y112 AromaticContact CZ2-CG 3.57Å; W83-Y112 HydrophobicContact CZ2-CG 3.57Å; W83-Y112 AromaticContact CZ2-CZ 3.36Å; W83-Y112 HydrophobicContact CZ3-CD1 4.27Å; W83-Y112 AromaticContact CZ3-CD2 3.44Å; W83-Y112 HydrophobicContact CZ3-CD2 3.44Å; W83-Y112 VanDerWaalsContact CZ3-CD2 3.44Å; W83-Y112 HydrophobicContact CZ3-CE2 4.11Å; W83-Y112 AromaticContact CZ3-CG 3.53Å; W83-Y112 HydrophobicContact CZ3-CG 3.53Å; W83-Y112 AromaticContact NE1-CD1 3.42Å; W83-Y112 AromaticContact NE1-CE1 3.48Å |
| 84 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 120 | 179.6 | -179.5 | 55.7 | 0 | 0 | 0 | 110.6 | L59 F74 L81 L86 F104 L107 V110 Y112 L113 D114 | L59-L84 HydrophobicContact CB-CD1 4.19Å; L59-L84 HydrophobicContact CD2-CD1 3.96Å; L59-L84 HydrophobicContact CG-CD1 4.12Å; F74-L84 HydrophobicContact CE1-CD2 4.47Å; F74-L84 HydrophobicContact CE2-CD2 4.47Å; F74-L84 HydrophobicContact CZ-CD2 4.06Å; L81-L84 HydrophobicContact CD2-CB 4.14Å; L81-L84 HydrophobicContact CD2-CD1 4.36Å; L81-L84 HydrophobicContact CD2-CD2 4.2Å; L81-L84 HydrophobicContact CD2-CG 4.48Å; L84-L86 HydrophobicContact CD1-CD1 4.26Å; L84-L86 HydrophobicContact CD1-CG 4.02Å; L84-L86 HydrophobicContact CD2-CD1 3.87Å; L84-L86 HydrophobicContact CD2-CG 4.48Å; L84-L86 HydrophobicContact CG-CD1 3.99Å; L84-L86 HydrophobicContact CG-CG 4.08Å; L84-F104 HydrophobicContact CD2-CE1 4.28Å; L84-L107 HydrophobicContact CD2-CD1 3.78Å; L84-V110 HydrophobicContact CB-CG1 4.48Å; L84-Y112 PolarHBondContact N-O 2.72Å; L84-L113 HydrophobicContact CB-CD1 4.13Å; L84-L113 HydrophobicContact CD2-CD1 3.96Å; L84-L113 HydrophobicContact CG-CD1 3.99Å; L84-L113 WeakPolarHBondContact O-CA 3.38Å; L84-D114 PolarHBondContact O-N 3.05Å |
| 85 | D | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 108.5 | 177.6 | -177.5 | -0.6 | 0 | 0 | 0 | 110.3 | L59 I60 L61 A62 R87 | L59-D85 PolarHBondContact O-N 2.85Å; I60-D85 HydrophobicContact CG1-CB 4.45Å; I60-D85 HydrophobicContact CG2-CB 4.26Å; L61-D85 CarbonylContact C-O 3.59Å; L61-D85 WeakPolarHBondContact CA-O 3.38Å; L61-D85 PolarHBondContact N-O 2.77Å; A62-D85 PolarHBondContact N-O 3.45Å; D85-R87 VanDerWaalsContact CG-NE 3.34Å; D85-R87 WeakPolarHBondContact OD1-CG 3.49Å; D85-R87 IonicContact OD1-CZ 3.56Å; D85-R87 PolarHBondContact OD1-N 3.15Å; D85-R87 IonicContact OD1-NE 2.84Å; D85-R87 PolarHBondContact OD1-NE 3.24Å; D85-R87 IonicContact OD2-CZ 2.7Å; D85-R87 IonicContact OD2-NE 3.83Å; D85-R87 PolarHBondContact OD2-NE 3.49Å; D85-R87 IonicContact OD2-NH2 3.81Å; D85-R87 PolarHBondContact OD2-NH2 3.07Å |
| 86 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -117.5 | 17.6 | -179.5 | -74.8 | 167.4 | 0 | 0 | 0 | 111.8 | L61 I66 I69 L84 N89 L91 F104 D114 L115 N118 | L61-L86 HydrophobicContact CB-CD2 3.98Å; L61-L86 HydrophobicContact CD1-CD2 3.94Å; I66-L86 HydrophobicContact CD1-CD2 4.08Å; I69-L86 HydrophobicContact CD1-CD1 4.15Å; L84-L86 HydrophobicContact CD1-CD1 4.26Å; L84-L86 HydrophobicContact CD1-CG 4.02Å; L84-L86 HydrophobicContact CD2-CD1 3.87Å; L84-L86 HydrophobicContact CD2-CG 4.48Å; L84-L86 HydrophobicContact CG-CD1 3.99Å; L84-L86 HydrophobicContact CG-CG 4.08Å; L86-N89 PolarHBondContact O-ND2 2.64Å; L86-L91 HydrophobicContact CD1-CD1 4.48Å; L86-F104 HydrophobicContact CD1-CE1 4.2Å; L86-F104 HydrophobicContact CD1-CZ 3.76Å; L86-D114 CarbonylContact C-O 3.39Å; L86-D114 WeakPolarHBondContact CA-O 3.35Å; L86-D114 WeakPolarHBondContact CB-O 3.47Å; L86-D114 PolarHBondContact N-O 3.16Å; L86-L115 HydrophobicContact CB-CD2 4.17Å; L86-L115 HydrophobicContact CD1-CD2 4.11Å; L86-N118 PolarHBondContact O-ND2 3.07Å | ||
| 87 | R | 98.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | trans | -64.3 | 152.2 | -176.3 | 73.7 | -173.6 | 128.2 | -176 | 2.8 | 112.8 | A62 H63 D85 N89 D114 S116 | A62-R87 CarbonylContact C-O 3.6Å; A62-R87 VanDerWaalsContact CA-O 3.23Å; A62-R87 WeakPolarHBondContact CA-O 3.44Å; A62-R87 HydrophobicContact CB-CG 3.61Å; H63-R87 PolarHBondContact N-O 3.49Å; D85-R87 VanDerWaalsContact CG-NE 3.34Å; D85-R87 WeakPolarHBondContact OD1-CG 3.49Å; D85-R87 IonicContact OD1-CZ 3.56Å; D85-R87 PolarHBondContact OD1-N 3.15Å; D85-R87 IonicContact OD1-NE 2.84Å; D85-R87 PolarHBondContact OD1-NE 3.24Å; D85-R87 IonicContact OD2-CZ 2.7Å; D85-R87 IonicContact OD2-NE 3.83Å; D85-R87 PolarHBondContact OD2-NE 3.49Å; D85-R87 IonicContact OD2-NH2 3.81Å; D85-R87 PolarHBondContact OD2-NH2 3.07Å; R87-N89 PolarHBondContact O-N 3.47Å; R87-N89 PolarHBondContact O-ND2 3.03Å; R87-D114 IonicContact CZ-OD2 3.74Å; R87-D114 PolarHBondContact N-O 3.48Å; R87-D114 IonicContact NE-OD2 2.74Å; R87-D114 IonicContact NH1-OD2 2.72Å; R87-S116 CarbonylContact C-O 3.32Å; R87-S116 WeakPolarHBondContact CA-O 3.49Å; R87-S116 VanDerWaalsContact CB-O 3.29Å; R87-S116 WeakPolarHBondContact CB-O 3.34Å | ||
| 88 | F | 98.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 52.1 | 52.9 | 179.2 | -60.7 | -69 | 0 | 0 | 0 | 112.3 | H63 S116 G117 L142 | H63-F88 VanDerWaalsContact CA-O 3.24Å; H63-F88 WeakPolarHBondContact CA-O 3.02Å; H63-F88 AromaticContact CE1-CD2 3.21Å; H63-F88 WeakPolarHBondContact CE1-CD2 3.48Å; H63-F88 AromaticContact CE1-CE2 3.97Å; H63-F88 AromaticContact CE1-CG 3.51Å; H63-F88 PolarHBondContact N-O 2.96Å; H63-F88 WeakPolarHBondContact ND1-CB 2.96Å; H63-F88 AromaticContact ND1-CD2 3.99Å; H63-F88 AromaticContact ND1-CG 3.9Å; H63-F88 AromaticContact NE2-CD2 3.36Å; H63-F88 WeakPolarHBondContact NE2-CD2 3.27Å; F88-S116 PolarHBondContact N-O 3.36Å; F88-G117 WeakPolarHBondContact CA-O 3.35Å; F88-L142 HydrophobicContact CE1-CD1 4.35Å; F88-L142 HydrophobicContact CZ-CD1 4.27Å |
| 89 | N | 98.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -113 | -170.3 | 170 | -85.8 | -73.4 | 0 | 0 | 0 | 109.7 | L61 N64 I66 L86 R87 N118 | L61-N89 PolarHBondContact O-ND2 3.05Å; N64-N89 VanDerWaalsContact CA-OD1 3.3Å; N64-N89 WeakPolarHBondContact CA-OD1 3.21Å; N64-N89 WeakPolarHBondContact CB-OD1 3.42Å; N64-N89 PolarHBondContact N-OD1 3.32Å; N64-N89 PolarHBondContact O-OD1 3.18Å; I66-N89 HydrophobicContact CB-CB 4.2Å; I66-N89 VanDerWaalsContact CB-OD1 3.31Å; I66-N89 WeakPolarHBondContact CB-OD1 3.37Å; I66-N89 VanDerWaalsContact CG1-OD1 3.32Å; I66-N89 WeakPolarHBondContact CG1-OD1 3.24Å; I66-N89 PolarHBondContact N-OD1 3.2Å; L86-N89 PolarHBondContact O-ND2 2.64Å; R87-N89 PolarHBondContact O-N 3.47Å; R87-N89 PolarHBondContact O-ND2 3.03Å; N89-N118 WeakPolarHBondContact CA-OD1 3.43Å; N89-N118 WeakPolarHBondContact CB-OD1 3.42Å; N89-N118 PolarHBondContact O-OD1 3.1Å |
| 90 | Q | 96.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | trans | -112.2 | 29.1 | -177.7 | -63.8 | -177.7 | -29.6 | 0 | 0 | 111.6 | K65 I66 Y67 I92 | K65-Q90 PolarHBondContact O-OE1 3.25Å; I66-Q90 CarbonylContact O-C 3.1Å; I66-Q90 WeakPolarHBondContact O-CA 3.28Å; I66-Q90 PolarHBondContact O-N 3.48Å; Y67-Q90 WeakPolarHBondContact CA-O 2.98Å; Q90-I92 PolarHBondContact O-N 2.82Å | ||
| 91 | L | 95.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | -67.8 | 118.5 | 178.2 | -63.3 | 173.6 | 0 | 0 | 0 | 108.8 | I66 I69 L86 L115 N118 E119 L120 | I66-L91 HydrophobicContact CG2-CD2 4.01Å; I66-L91 PolarHBondContact O-N 2.88Å; I66-L91 VanDerWaalsContact O-N 3.1Å; I69-L91 HydrophobicContact CD1-CD1 4.19Å; I69-L91 HydrophobicContact CD1-CD2 3.97Å; I69-L91 HydrophobicContact CG1-CD2 4.03Å; L86-L91 HydrophobicContact CD1-CD1 4.48Å; L91-L115 HydrophobicContact CD1-CD2 4.33Å; L91-N118 HydrophobicContact CB-CB 4.15Å; L91-N118 VanDerWaalsContact CB-OD1 3.3Å; L91-N118 WeakPolarHBondContact CB-OD1 3.11Å; L91-N118 WeakPolarHBondContact CG-OD1 3Å; L91-N118 PolarHBondContact N-OD1 2.87Å; L91-E119 CarbonylContact O-C 3.15Å; L91-E119 PolarHBondContact O-N 2.92Å; L91-L120 HydrophobicContact CB-CD2 4.25Å | ||
| 92 | I | 92.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.4 | 178 | -64 | 165.2 | 0 | 0 | 0 | 108.6 | Q90 N94 N97 E119 | Q90-I92 PolarHBondContact O-N 2.82Å; I92-N94 WeakPolarHBondContact CG2-ND2 3.19Å; I92-N97 PolarHBondContact O-ND2 3.36Å; I92-E119 WeakPolarHBondContact CA-O 3.37Å; I92-E119 HydrophobicContact CG1-CB 3.99Å |
| 93 | S | 93.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.2 | 165.6 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | N97 F99 E119 N121 Y122 | S93-N97 WeakPolarHBondContact CA-O 3.2Å; S93-F99 PolarHBondContact OG-N 3.02Å; S93-E119 PolarHBondContact N-O 3.05Å; S93-E119 VanDerWaalsContact N-O 3.13Å; S93-N121 CarbonylContact O-C 3.43Å; S93-N121 WeakPolarHBondContact O-CA 3.23Å; S93-N121 WeakPolarHBondContact O-CB 3.17Å; S93-N121 PolarHBondContact O-N 3.2Å; S93-Y122 WeakPolarHBondContact CB-O 3.49Å; S93-Y122 PolarHBondContact O-N 3.13Å; S93-Y122 PolarHBondContact OG-O 3.14Å |
| 94 | N | 91.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -148 | 178 | 176 | 65.1 | 51.1 | 0 | 0 | 0 | 110.1 | I92 H96 N97 | I92-N94 WeakPolarHBondContact CG2-ND2 3.19Å; N94-H96 PolarHBondContact O-N 3.16Å; N94-H96 VanDerWaalsContact O-N 3.13Å; N94-H96 WeakPolarHBondContact OD1-CA 3.23Å; N94-H96 WeakPolarHBondContact OD1-CB 3.26Å; N94-H96 PolarHBondContact OD1-N 2.85Å; N94-N97 PolarHBondContact N-O 3.1Å; N94-N97 CarbonylContact O-C 3.55Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 VanDerWaalsContact O-O 3.09Å; N94-N97 PolarHBondContact OD1-N 3.35Å | ||
| 95 | Y | 85.1 | Confident | 94 | Very high | 185 Ų | 185 | 55 Ų | 55 | 73% | 0.725 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -57.9 | -27.9 | -178 | -170.8 | -100 | 0 | 0 | 0 | 114.1 | ||
| 96 | H | 86.1 | Confident | 93.7 | Very high | 171 Ų | 171 | 56.7 Ų | 56.7 | 79% | 0.792 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -94.5 | -22.4 | -179.7 | -61.3 | -64.2 | 0 | 0 | 0 | 113.7 | N94 | N94-H96 PolarHBondContact O-N 3.16Å; N94-H96 VanDerWaalsContact O-N 3.13Å; N94-H96 WeakPolarHBondContact OD1-CA 3.23Å; N94-H96 WeakPolarHBondContact OD1-CB 3.26Å; N94-H96 PolarHBondContact OD1-N 2.85Å |
| 97 | N | 86.9 | Confident | 93.6 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -131.2 | 83.7 | 177.8 | -171.4 | 41.5 | 0 | 0 | 0 | 108.6 | I92 S93 N94 | I92-N97 PolarHBondContact O-ND2 3.36Å; S93-N97 WeakPolarHBondContact CA-O 3.2Å; N94-N97 PolarHBondContact N-O 3.1Å; N94-N97 CarbonylContact O-C 3.55Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 VanDerWaalsContact O-O 3.09Å; N94-N97 PolarHBondContact OD1-N 3.35Å |
| 98 | P | 87.1 | Confident | 93.4 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | trans | -67.8 | 158.4 | -175.8 | 27.8 | -34.3 | 0 | 0 | 0 | 111.5 | ||||
| 99 | F | 94.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | trans | -55.4 | 143 | 175.1 | -171.7 | -91.3 | 0 | 0 | 0 | 110.6 | S93 V101 F104 L115 L120 P124 F127 L128 | S93-F99 PolarHBondContact OG-N 3.02Å; F99-V101 HydrophobicContact CD1-CG2 4.21Å; F99-V101 PolarHBondContact O-N 2.7Å; F99-F104 HydrophobicContact CD1-CD2 4.47Å; F99-F104 HydrophobicContact CE1-CB 4.28Å; F99-F104 HydrophobicContact CE1-CD1 4.37Å; F99-F104 AromaticContact CE1-CD2 3.45Å; F99-F104 HydrophobicContact CE1-CD2 3.45Å; F99-F104 VanDerWaalsContact CE1-CD2 3.45Å; F99-F104 AromaticContact CE1-CE2 3.8Å; F99-F104 HydrophobicContact CE1-CE2 3.8Å; F99-F104 AromaticContact CE1-CG 3.78Å; F99-F104 HydrophobicContact CE1-CG 3.78Å; F99-F104 HydrophobicContact CE1-CZ 4.38Å; F99-F104 HydrophobicContact CZ-CD1 4.3Å; F99-F104 AromaticContact CZ-CD2 3.74Å; F99-F104 HydrophobicContact CZ-CD2 3.74Å; F99-F104 HydrophobicContact CZ-CE1 4.16Å; F99-F104 AromaticContact CZ-CE2 3.58Å; F99-F104 HydrophobicContact CZ-CE2 3.58Å; F99-F104 HydrophobicContact CZ-CG 4.1Å; F99-F104 AromaticContact CZ-CZ 3.8Å; F99-F104 HydrophobicContact CZ-CZ 3.8Å; F99-L115 HydrophobicContact CE2-CD1 4.17Å; F99-L115 HydrophobicContact CZ-CD1 4.16Å; F99-L120 HydrophobicContact CD2-CD1 4.44Å; F99-L120 HydrophobicContact CD2-CD2 4.15Å; F99-L120 HydrophobicContact CE2-CD1 4.16Å; F99-L120 HydrophobicContact CE2-CD2 4.39Å; F99-P124 HydrophobicContact CB-CG 4.18Å; F99-F127 HydrophobicContact CD1-CB 4.31Å; F99-F127 AromaticContact CD1-CD2 3.81Å; F99-F127 HydrophobicContact CD1-CD2 3.81Å; F99-F127 HydrophobicContact CD2-CD2 4.45Å; F99-F127 AromaticContact CE1-CD2 3.77Å; F99-F127 HydrophobicContact CE1-CD2 3.77Å; F99-F127 HydrophobicContact CE1-CE2 4.46Å; F99-F127 HydrophobicContact CE2-CD2 4.42Å; F99-F127 HydrophobicContact CG-CD2 4.17Å; F99-F127 HydrophobicContact CZ-CD2 4.09Å; F99-F127 HydrophobicContact CZ-CE2 4.35Å; F99-L128 HydrophobicContact CE1-CD2 4.33Å | ||
| 100 | P | 94.4 | Very high | 93.4 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | trans | -75.2 | 63.7 | -176.8 | 32.3 | -38.3 | 0 | 0 | 0 | 112.8 | I69 L102 A103 F104 | I69-P100 HydrophobicContact CB-CG 4.44Å; P100-L102 PolarHBondContact O-N 3.15Å; P100-L102 VanDerWaalsContact O-N 3.13Å; P100-A103 HydrophobicContact CB-CB 4.41Å; P100-A103 PolarHBondContact O-N 3.24Å; P100-F104 HydrophobicContact CG-CD2 4.06Å; P100-F104 HydrophobicContact CG-CE2 3.81Å; P100-F104 WeakPolarHBondContact O-CD2 3.34Å; P100-F104 PolarHBondContact O-N 2.8Å | ||
| 101 | V | 95.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.9 | -38.6 | -174.8 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | F99 A103 F104 S105 P124 F127 | F99-V101 HydrophobicContact CD1-CG2 4.21Å; F99-V101 PolarHBondContact O-N 2.7Å; V101-A103 VanDerWaalsContact C-N 3.34Å; V101-A103 PolarHBondContact O-N 2.91Å; V101-F104 PolarHBondContact O-N 2.81Å; V101-S105 WeakPolarHBondContact O-CB 3.18Å; V101-S105 PolarHBondContact O-N 2.88Å; V101-S105 PolarHBondContact O-OG 3.06Å; V101-P124 HydrophobicContact CG2-CG 4.19Å; V101-F127 HydrophobicContact CG2-CB 4.06Å |
| 102 | L | 94.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 54.6 Ų | 54.6 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.1 | -31.2 | -178.9 | -66.4 | 176.5 | 0 | 0 | 0 | 114 | E71 P100 S105 Q106 | E71-L102 HydrophobicContact CB-CB 4.13Å; E71-L102 VanDerWaalsContact CD-CD1 3.49Å; E71-L102 HydrophobicContact CG-CB 4.14Å; E71-L102 HydrophobicContact CG-CD1 4.03Å; P100-L102 PolarHBondContact O-N 3.15Å; P100-L102 VanDerWaalsContact O-N 3.13Å; L102-S105 PolarHBondContact O-OG 2.95Å; L102-Q106 PolarHBondContact O-NE2 3.47Å |
| 103 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I69 T70 E71 F74 P100 V101 | I69-A103 HydrophobicContact CG2-CB 3.85Å; T70-A103 WeakPolarHBondContact O-CB 3.38Å; E71-A103 WeakPolarHBondContact O-CA 3.44Å; F74-A103 HydrophobicContact CD2-CB 4.16Å; F74-A103 HydrophobicContact CE2-CB 4.42Å; P100-A103 HydrophobicContact CB-CB 4.41Å; P100-A103 PolarHBondContact O-N 3.24Å; V101-A103 VanDerWaalsContact C-N 3.34Å; V101-A103 PolarHBondContact O-N 2.91Å |
| 104 | F | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.2 | -27 | -178.2 | -77.1 | -97.5 | 0 | 0 | 0 | 113.3 | I69 F74 L84 L86 F99 P100 V101 Q106 L107 L113 L115 L128 M131 | I69-F104 HydrophobicContact CD1-CE2 4.03Å; I69-F104 HydrophobicContact CD1-CZ 4.19Å; F74-F104 HydrophobicContact CE2-CE2 4.41Å; F74-F104 HydrophobicContact CE2-CZ 4.48Å; L84-F104 HydrophobicContact CD2-CE1 4.28Å; L86-F104 HydrophobicContact CD1-CE1 4.2Å; L86-F104 HydrophobicContact CD1-CZ 3.76Å; F99-F104 HydrophobicContact CD1-CD2 4.47Å; F99-F104 HydrophobicContact CE1-CB 4.28Å; F99-F104 HydrophobicContact CE1-CD1 4.37Å; F99-F104 AromaticContact CE1-CD2 3.45Å; F99-F104 HydrophobicContact CE1-CD2 3.45Å; F99-F104 VanDerWaalsContact CE1-CD2 3.45Å; F99-F104 AromaticContact CE1-CE2 3.8Å; F99-F104 HydrophobicContact CE1-CE2 3.8Å; F99-F104 AromaticContact CE1-CG 3.78Å; F99-F104 HydrophobicContact CE1-CG 3.78Å; F99-F104 HydrophobicContact CE1-CZ 4.38Å; F99-F104 HydrophobicContact CZ-CD1 4.3Å; F99-F104 AromaticContact CZ-CD2 3.74Å; F99-F104 HydrophobicContact CZ-CD2 3.74Å; F99-F104 HydrophobicContact CZ-CE1 4.16Å; F99-F104 AromaticContact CZ-CE2 3.58Å; F99-F104 HydrophobicContact CZ-CE2 3.58Å; F99-F104 HydrophobicContact CZ-CG 4.1Å; F99-F104 AromaticContact CZ-CZ 3.8Å; F99-F104 HydrophobicContact CZ-CZ 3.8Å; P100-F104 HydrophobicContact CG-CD2 4.06Å; P100-F104 HydrophobicContact CG-CE2 3.81Å; P100-F104 WeakPolarHBondContact O-CD2 3.34Å; P100-F104 PolarHBondContact O-N 2.8Å; V101-F104 PolarHBondContact O-N 2.81Å; F104-Q106 PolarHBondContact O-N 2.88Å; F104-Q106 VanDerWaalsContact O-N 3.15Å; F104-L107 HydrophobicContact CD1-CD1 4.11Å; F104-L107 WeakPolarHBondContact O-CB 3.47Å; F104-L107 PolarHBondContact O-N 2.84Å; F104-L107 VanDerWaalsContact O-N 3.09Å; F104-L113 HydrophobicContact CD1-CD2 4.23Å; F104-L113 HydrophobicContact CE1-CD1 3.99Å; F104-L113 HydrophobicContact CE1-CD2 4.06Å; F104-L115 HydrophobicContact CE1-CD2 4.39Å; F104-L115 HydrophobicContact CZ-CD2 4.22Å; F104-L128 HydrophobicContact CB-CD2 4.29Å; F104-L128 HydrophobicContact CD1-CD2 4.04Å; F104-L128 HydrophobicContact CG-CD2 4.37Å; F104-M131 HydrophobicContact CD1-SD 4.29Å |
| 105 | S | 95.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.3 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | V101 L102 L107 | V101-S105 WeakPolarHBondContact O-CB 3.18Å; V101-S105 PolarHBondContact O-N 2.88Å; V101-S105 PolarHBondContact O-OG 3.06Å; L102-S105 PolarHBondContact O-OG 2.95Å; S105-L107 VanDerWaalsContact C-N 3.34Å |
| 106 | Q | 92.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.9 | 177.6 | -63.6 | 162.4 | 22.1 | 0 | 0 | 112.9 | E71 L75 M78 L102 F104 V108 | E71-Q106 PolarHBondContact O-NE2 3.49Å; L75-Q106 HydrophobicContact CD2-CG 4.15Å; M78-Q106 HydrophobicContact CB-CB 4.24Å; L102-Q106 PolarHBondContact O-NE2 3.47Å; F104-Q106 PolarHBondContact O-N 2.88Å; F104-Q106 VanDerWaalsContact O-N 3.15Å; Q106-V108 PolarHBondContact O-N 2.94Å |
| 107 | L | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -82.8 | 56.9 | -170.7 | -64.3 | -179.8 | 0 | 0 | 0 | 113 | F74 L81 L84 F104 S105 Y109 V110 M131 | F74-L107 HydrophobicContact CB-CD2 3.73Å; F74-L107 HydrophobicContact CB-CG 4.4Å; F74-L107 HydrophobicContact CD2-CD1 3.94Å; F74-L107 HydrophobicContact CD2-CD2 4.31Å; F74-L107 HydrophobicContact CD2-CG 4.26Å; F74-L107 HydrophobicContact CE2-CD1 4.19Å; F74-L107 HydrophobicContact CG-CD1 4.39Å; F74-L107 HydrophobicContact CG-CD2 4.02Å; F74-L107 HydrophobicContact CG-CG 4.46Å; L81-L107 HydrophobicContact CB-CD2 4.5Å; L81-L107 HydrophobicContact CD2-CD1 4.49Å; L81-L107 HydrophobicContact CD2-CD2 3.79Å; L84-L107 HydrophobicContact CD2-CD1 3.78Å; F104-L107 HydrophobicContact CD1-CD1 4.11Å; F104-L107 WeakPolarHBondContact O-CB 3.47Å; F104-L107 PolarHBondContact O-N 2.84Å; F104-L107 VanDerWaalsContact O-N 3.09Å; S105-L107 VanDerWaalsContact C-N 3.34Å; L107-Y109 PolarHBondContact O-N 2.81Å; L107-Y109 VanDerWaalsContact O-N 3.13Å; L107-V110 HydrophobicContact CB-CB 4.27Å; L107-V110 HydrophobicContact CB-CG2 3.75Å; L107-V110 HydrophobicContact CD1-CG2 4.26Å; L107-V110 HydrophobicContact CD2-CG2 4.2Å; L107-V110 HydrophobicContact CG-CG2 4.3Å; L107-V110 PolarHBondContact O-N 2.93Å; L107-M131 HydrophobicContact CB-CE 3.89Å; L107-M131 HydrophobicContact CB-CG 4.14Å; L107-M131 HydrophobicContact CB-SD 4.42Å; L107-M131 HydrophobicContact CD1-CE 4.12Å; L107-M131 WeakPolarHBondContact O-CG 3.27Å | ||
| 108 | V | 95.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.8 | -169.4 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | Q106 S134 | Q106-V108 PolarHBondContact O-N 2.94Å; V108-S134 WeakPolarHBondContact O-CB 3.39Å; V108-S134 PolarHBondContact O-OG 3.13Å |
| 109 | Y | 96.9 | Very high | 96.4 | Very high | 130 Ų | 130 | 30.5 Ų | 30.5 | 51% | 0.51 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -7.2 | -178.3 | -63.2 | -75.9 | 0 | 0 | 0 | 115.1 | L81 L107 S111 | L81-Y109 CarbonylContact O-C 3.44Å; L107-Y109 PolarHBondContact O-N 2.81Å; L107-Y109 VanDerWaalsContact O-N 3.13Å; Y109-S111 PolarHBondContact O-N 3Å |
| 110 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -67.3 | 124 | -174.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | L81 L84 L107 Y112 M131 S134 L135 | L81-V110 HydrophobicContact CB-CG2 4.04Å; L81-V110 HydrophobicContact CD2-CG2 3.95Å; L81-V110 HydrophobicContact CG-CG2 3.85Å; L81-V110 WeakPolarHBondContact O-CG2 2.91Å; L81-V110 PolarHBondContact O-N 3.16Å; L84-V110 HydrophobicContact CB-CG1 4.48Å; L107-V110 HydrophobicContact CB-CB 4.27Å; L107-V110 HydrophobicContact CB-CG2 3.75Å; L107-V110 HydrophobicContact CD1-CG2 4.26Å; L107-V110 HydrophobicContact CD2-CG2 4.2Å; L107-V110 HydrophobicContact CG-CG2 4.3Å; L107-V110 PolarHBondContact O-N 2.93Å; V110-Y112 VanDerWaalsContact CG1-O 3.23Å; V110-Y112 WeakPolarHBondContact CG1-O 3.27Å; V110-M131 HydrophobicContact CB-CE 3.28Å; V110-M131 HydrophobicContact CG1-CE 3.2Å; V110-M131 HydrophobicContact CG2-CE 4.01Å; V110-S134 CarbonylContact O-C 3.48Å; V110-S134 WeakPolarHBondContact O-CB 3.3Å; V110-S134 PolarHBondContact O-OG 2.94Å; V110-S134 VanDerWaalsContact O-OG 3.07Å; V110-L135 HydrophobicContact CG1-CD1 4.35Å; V110-L135 VanDerWaalsContact O-CA 3.31Å; V110-L135 WeakPolarHBondContact O-CA 3.33Å; V110-L135 PolarHBondContact O-N 3.47Å | ||
| 111 | S | 98.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 31 Ų | 31 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | trans | -104.4 | -24.1 | -178.1 | -150.3 | 0 | 0 | 0 | 0 | 113.5 | I82 Y109 S134 K136 R137 | I82-S111 PolarHBondContact O-N 3.07Å; Y109-S111 PolarHBondContact O-N 3Å; S111-S134 WeakPolarHBondContact CA-O 3.31Å; S111-S134 PolarHBondContact OG-O 2.77Å; S111-K136 PolarHBondContact O-N 3.27Å; S111-K136 WeakPolarHBondContact OG-CD 3.46Å; S111-K136 VanDerWaalsContact OG-CG 3.27Å; S111-K136 WeakPolarHBondContact OG-CG 3.34Å; S111-R137 PolarHBondContact O-N 2.94Å | ||
| 112 | Y | 98.7 | Very high | 96.4 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.1 | 174.5 | 178.2 | -82.4 | 0 | 0 | 0 | 110.3 | I82 W83 L84 V110 D114 R137 E139 | I82-Y112 PolarHBondContact O-N 3.3Å; I82-Y112 VanDerWaalsContact O-N 3.13Å; W83-Y112 AromaticContact CD1-CD1 3.81Å; W83-Y112 AromaticContact CD2-CD1 3.47Å; W83-Y112 HydrophobicContact CD2-CD1 3.47Å; W83-Y112 VanDerWaalsContact CD2-CD1 3.47Å; W83-Y112 HydrophobicContact CD2-CD2 4.19Å; W83-Y112 HydrophobicContact CD2-CE1 4.17Å; W83-Y112 AromaticContact CD2-CG 3.48Å; W83-Y112 HydrophobicContact CD2-CG 3.48Å; W83-Y112 VanDerWaalsContact CD2-CG 3.48Å; W83-Y112 AromaticContact CE2-CD1 3.2Å; W83-Y112 AromaticContact CE2-CD2 3.97Å; W83-Y112 AromaticContact CE2-CE1 3.4Å; W83-Y112 VanDerWaalsContact CE2-CE1 3.4Å; W83-Y112 AromaticContact CE2-CG 3.51Å; W83-Y112 AromaticContact CE2-CZ 3.88Å; W83-Y112 HydrophobicContact CE3-CD1 4Å; W83-Y112 AromaticContact CE3-CD2 3.93Å; W83-Y112 HydrophobicContact CE3-CD2 3.93Å; W83-Y112 AromaticContact CE3-CG 3.48Å; W83-Y112 HydrophobicContact CE3-CG 3.48Å; W83-Y112 VanDerWaalsContact CE3-CG 3.48Å; W83-Y112 AromaticContact CG-CD1 3.86Å; W83-Y112 HydrophobicContact CG-CD1 3.86Å; W83-Y112 HydrophobicContact CG-CG 4.2Å; W83-Y112 HydrophobicContact CH2-CD1 4.06Å; W83-Y112 AromaticContact CH2-CD2 3.2Å; W83-Y112 HydrophobicContact CH2-CD2 3.2Å; W83-Y112 HydrophobicContact CH2-CE1 4.2Å; W83-Y112 AromaticContact CH2-CE2 3.37Å; W83-Y112 HydrophobicContact CH2-CE2 3.37Å; W83-Y112 AromaticContact CH2-CG 3.58Å; W83-Y112 HydrophobicContact CH2-CG 3.58Å; W83-Y112 AromaticContact CH2-CZ 3.88Å; W83-Y112 AromaticContact CZ2-CD1 3.54Å; W83-Y112 HydrophobicContact CZ2-CD1 3.54Å; W83-Y112 AromaticContact CZ2-CD2 3.51Å; W83-Y112 HydrophobicContact CZ2-CD2 3.51Å; W83-Y112 AromaticContact CZ2-CE1 3.43Å; W83-Y112 HydrophobicContact CZ2-CE1 3.43Å; W83-Y112 VanDerWaalsContact CZ2-CE1 3.43Å; W83-Y112 AromaticContact CZ2-CE2 3.4Å; W83-Y112 HydrophobicContact CZ2-CE2 3.4Å; W83-Y112 AromaticContact CZ2-CG 3.57Å; W83-Y112 HydrophobicContact CZ2-CG 3.57Å; W83-Y112 AromaticContact CZ2-CZ 3.36Å; W83-Y112 HydrophobicContact CZ3-CD1 4.27Å; W83-Y112 AromaticContact CZ3-CD2 3.44Å; W83-Y112 HydrophobicContact CZ3-CD2 3.44Å; W83-Y112 VanDerWaalsContact CZ3-CD2 3.44Å; W83-Y112 HydrophobicContact CZ3-CE2 4.11Å; W83-Y112 AromaticContact CZ3-CG 3.53Å; W83-Y112 HydrophobicContact CZ3-CG 3.53Å; W83-Y112 AromaticContact NE1-CD1 3.42Å; W83-Y112 AromaticContact NE1-CE1 3.48Å; L84-Y112 PolarHBondContact N-O 2.72Å; V110-Y112 VanDerWaalsContact CG1-O 3.23Å; V110-Y112 WeakPolarHBondContact CG1-O 3.27Å; Y112-D114 HydrophobicContact CE1-CB 3.62Å; Y112-D114 PolarHBondContact OH-OD2 2.95Å; Y112-R137 WeakPolarHBondContact CA-O 3.45Å; Y112-R137 HydrophobicContact CD2-CB 3.93Å; Y112-R137 HydrophobicContact CD2-CG 3.62Å; Y112-R137 HydrophobicContact CE2-CG 3.86Å; Y112-E139 HydrophobicContact CE2-CG 4.08Å |
| 113 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.9 | 171.8 | 177 | 60.3 | 0 | 0 | 0 | 110.2 | L84 F104 L115 L128 M131 L135 R137 L138 E139 | L84-L113 HydrophobicContact CB-CD1 4.13Å; L84-L113 HydrophobicContact CD2-CD1 3.96Å; L84-L113 HydrophobicContact CG-CD1 3.99Å; L84-L113 WeakPolarHBondContact O-CA 3.38Å; F104-L113 HydrophobicContact CD1-CD2 4.23Å; F104-L113 HydrophobicContact CE1-CD1 3.99Å; F104-L113 HydrophobicContact CE1-CD2 4.06Å; L113-L115 HydrophobicContact CD1-CD2 4.2Å; L113-L115 HydrophobicContact CD1-CG 4.15Å; L113-L115 HydrophobicContact CD2-CD1 3.95Å; L113-L115 HydrophobicContact CD2-CG 4.18Å; L113-L115 HydrophobicContact CG-CD1 4.32Å; L113-L115 HydrophobicContact CG-CG 4.01Å; L113-L128 HydrophobicContact CD2-CD1 4.03Å; L113-L128 HydrophobicContact CD2-CD2 3.88Å; L113-M131 HydrophobicContact CB-CE 4.46Å; L113-M131 HydrophobicContact CD2-CE 4.17Å; L113-M131 HydrophobicContact CD2-SD 4.14Å; L113-L135 HydrophobicContact CB-CD1 3.81Å; L113-R137 PolarHBondContact N-O 3.25Å; L113-L138 HydrophobicContact CB-CD1 4.14Å; L113-L138 HydrophobicContact CD2-CD1 4Å; L113-L138 HydrophobicContact CG-CD1 4.09Å; L113-L138 WeakPolarHBondContact O-CA 3.28Å; L113-E139 PolarHBondContact O-N 3.47Å |
| 114 | D | 98.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116 | 171.5 | -164.8 | -12.5 | 0 | 0 | 0 | 111 | L84 L86 R87 Y112 S116 E139 | L84-D114 PolarHBondContact O-N 3.05Å; L86-D114 CarbonylContact C-O 3.39Å; L86-D114 WeakPolarHBondContact CA-O 3.35Å; L86-D114 WeakPolarHBondContact CB-O 3.47Å; L86-D114 PolarHBondContact N-O 3.16Å; R87-D114 IonicContact CZ-OD2 3.74Å; R87-D114 PolarHBondContact N-O 3.48Å; R87-D114 IonicContact NE-OD2 2.74Å; R87-D114 IonicContact NH1-OD2 2.72Å; Y112-D114 HydrophobicContact CE1-CB 3.62Å; Y112-D114 PolarHBondContact OH-OD2 2.95Å; D114-S116 WeakPolarHBondContact OD1-CB 3.46Å; D114-S116 PolarHBondContact OD1-N 2.86Å; D114-S116 PolarHBondContact OD1-OG 2.78Å; D114-E139 HydrophobicContact CB-CB 3.94Å; D114-E139 HydrophobicContact CB-CG 4.45Å; D114-E139 VanDerWaalsContact CG-CB 3.49Å; D114-E139 WeakPolarHBondContact OD1-CB 3.18Å |
| 115 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -113.6 | 9 | 176.8 | -65.8 | 170.9 | 0 | 0 | 0 | 111.5 | L86 L91 F99 F104 L113 N118 L120 E139 M140 L143 | L86-L115 HydrophobicContact CB-CD2 4.17Å; L86-L115 HydrophobicContact CD1-CD2 4.11Å; L91-L115 HydrophobicContact CD1-CD2 4.33Å; F99-L115 HydrophobicContact CE2-CD1 4.17Å; F99-L115 HydrophobicContact CZ-CD1 4.16Å; F104-L115 HydrophobicContact CE1-CD2 4.39Å; F104-L115 HydrophobicContact CZ-CD2 4.22Å; L113-L115 HydrophobicContact CD1-CD2 4.2Å; L113-L115 HydrophobicContact CD1-CG 4.15Å; L113-L115 HydrophobicContact CD2-CD1 3.95Å; L113-L115 HydrophobicContact CD2-CG 4.18Å; L113-L115 HydrophobicContact CG-CD1 4.32Å; L113-L115 HydrophobicContact CG-CG 4.01Å; L115-N118 PolarHBondContact O-ND2 2.96Å; L115-L120 HydrophobicContact CB-CD1 4.32Å; L115-L120 HydrophobicContact CD1-CD1 4.26Å; L115-E139 PolarHBondContact N-O 3.12Å; L115-M140 HydrophobicContact CB-CG 4.29Å; L115-M140 HydrophobicContact CD1-SD 4.43Å; L115-L143 WeakPolarHBondContact O-CD2 3.19Å | ||
| 116 | S | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 145.8 | -173.1 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | R87 F88 D114 N118 S141 | R87-S116 CarbonylContact C-O 3.32Å; R87-S116 WeakPolarHBondContact CA-O 3.49Å; R87-S116 VanDerWaalsContact CB-O 3.29Å; R87-S116 WeakPolarHBondContact CB-O 3.34Å; F88-S116 PolarHBondContact N-O 3.36Å; D114-S116 WeakPolarHBondContact OD1-CB 3.46Å; D114-S116 PolarHBondContact OD1-N 2.86Å; D114-S116 PolarHBondContact OD1-OG 2.78Å; S116-N118 VanDerWaalsContact C-N 3.35Å; S116-N118 PolarHBondContact O-N 2.62Å; S116-S141 CarbonylContact C-O 3.55Å; S116-S141 WeakPolarHBondContact CA-O 3.33Å; S116-S141 VanDerWaalsContact CB-O 3.26Å; S116-S141 WeakPolarHBondContact CB-O 3.26Å; S116-S141 VanDerWaalsContact CB-OG 3.27Å; S116-S141 WeakPolarHBondContact CB-OG 3.36Å; S116-S141 PolarHBondContact OG-N 3.12Å; S116-S141 VanDerWaalsContact OG-N 3.07Å; S116-S141 PolarHBondContact OG-OG 3.23Å |
| 117 | G | 97.4 | Very high | 96.3 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 26.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | F88 S141 L142 | F88-G117 WeakPolarHBondContact CA-O 3.35Å; G117-S141 PolarHBondContact N-O 3.13Å; G117-L142 VanDerWaalsContact CA-O 3.28Å; G117-L142 WeakPolarHBondContact CA-O 3.4Å; G117-L142 PolarHBondContact N-O 3.4Å |
| 118 | N | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.027 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -98.2 | -171.5 | 165.7 | -77.1 | -81 | 0 | 0 | 0 | 110.1 | L86 N89 L91 L115 S116 L120 L143 | L86-N118 PolarHBondContact O-ND2 3.07Å; N89-N118 WeakPolarHBondContact CA-OD1 3.43Å; N89-N118 WeakPolarHBondContact CB-OD1 3.42Å; N89-N118 PolarHBondContact O-OD1 3.1Å; L91-N118 HydrophobicContact CB-CB 4.15Å; L91-N118 VanDerWaalsContact CB-OD1 3.3Å; L91-N118 WeakPolarHBondContact CB-OD1 3.11Å; L91-N118 WeakPolarHBondContact CG-OD1 3Å; L91-N118 PolarHBondContact N-OD1 2.87Å; L115-N118 PolarHBondContact O-ND2 2.96Å; S116-N118 VanDerWaalsContact C-N 3.35Å; S116-N118 PolarHBondContact O-N 2.62Å; N118-L120 HydrophobicContact CB-CD2 4.43Å; N118-L120 HydrophobicContact CB-CG 4.11Å; N118-L143 CarbonylContact C-O 3.6Å; N118-L143 CarbonylContact O-C 3.54Å; N118-L143 VanDerWaalsContact O-C 3.28Å; N118-L143 WeakPolarHBondContact O-CA 3.4Å |
| 119 | E | 94.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 33.4 Ų | 33.4 | 49% | 0.486 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 57.6 | -179.5 | -68.2 | -176.9 | -149 | 0 | 0 | 111.5 | L91 I92 S93 N121 L143 | L91-E119 CarbonylContact O-C 3.15Å; L91-E119 PolarHBondContact O-N 2.92Å; I92-E119 WeakPolarHBondContact CA-O 3.37Å; I92-E119 HydrophobicContact CG1-CB 3.99Å; S93-E119 PolarHBondContact N-O 3.05Å; S93-E119 VanDerWaalsContact N-O 3.13Å; E119-N121 PolarHBondContact O-N 2.85Å; E119-L143 CarbonylContact C-O 3.6Å; E119-L143 VanDerWaalsContact CA-O 3.27Å; E119-L143 WeakPolarHBondContact CA-O 3.16Å |
| 120 | L | 95.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 84.9 | -175.4 | -53.8 | -175.1 | 0 | 0 | 0 | 110.6 | L91 F99 L115 N118 L123 L143 | L91-L120 HydrophobicContact CB-CD2 4.25Å; F99-L120 HydrophobicContact CD2-CD1 4.44Å; F99-L120 HydrophobicContact CD2-CD2 4.15Å; F99-L120 HydrophobicContact CE2-CD1 4.16Å; F99-L120 HydrophobicContact CE2-CD2 4.39Å; L115-L120 HydrophobicContact CB-CD1 4.32Å; L115-L120 HydrophobicContact CD1-CD1 4.26Å; N118-L120 HydrophobicContact CB-CD2 4.43Å; N118-L120 HydrophobicContact CB-CG 4.11Å; L120-L123 HydrophobicContact CB-CD2 4.21Å; L120-L123 HydrophobicContact CD1-CD2 4.49Å; L120-L143 HydrophobicContact CB-CB 4.31Å; L120-L143 HydrophobicContact CB-CD1 4.2Å; L120-L143 HydrophobicContact CB-CD2 4.27Å; L120-L143 HydrophobicContact CB-CG 4.5Å; L120-L143 HydrophobicContact CD1-CD1 4.36Å; L120-L143 HydrophobicContact CD1-CD2 3.85Å; L120-L143 HydrophobicContact CG-CD2 4.1Å; L120-L143 PolarHBondContact N-O 3.33Å |
| 121 | N | 93.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 28.3 Ų | 28.3 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | trans | -82.3 | -19 | -178.3 | -56.9 | -9.9 | 0 | 0 | 0 | 113 | S93 E119 S144 I147 Y148 | S93-N121 CarbonylContact O-C 3.43Å; S93-N121 WeakPolarHBondContact O-CA 3.23Å; S93-N121 WeakPolarHBondContact O-CB 3.17Å; S93-N121 PolarHBondContact O-N 3.2Å; E119-N121 PolarHBondContact O-N 2.85Å; N121-S144 WeakPolarHBondContact OD1-CB 3.42Å; N121-S144 PolarHBondContact OD1-OG 2.81Å; N121-I147 CarbonylContact O-C 3.15Å; N121-I147 WeakPolarHBondContact O-CA 3.43Å; N121-Y148 PolarHBondContact O-N 2.72Å | ||
| 122 | Y | 94.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.9 | -178.8 | -172.2 | -97.9 | 0 | 0 | 0 | 110.2 | S93 P124 Y148 E150 | S93-Y122 WeakPolarHBondContact CB-O 3.49Å; S93-Y122 PolarHBondContact O-N 3.13Å; S93-Y122 PolarHBondContact OG-O 3.14Å; Y122-P124 HydrophobicContact CD1-CB 4.49Å; Y122-P124 HydrophobicContact CE1-CB 4.03Å; Y122-Y148 WeakPolarHBondContact CA-O 3.49Å; Y122-E150 HydrophobicContact CE1-CG 4.39Å; Y122-E150 HydrophobicContact CE2-CG 4.43Å; Y122-E150 WeakPolarHBondContact OH-CG 3.49Å; Y122-E150 PolarHBondContact OH-OE1 2.72Å |
| 123 | L | 94.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 109.7 | 175.1 | -60.6 | -179.6 | 0 | 0 | 0 | 108.9 | L120 F127 I147 Y148 T149 E150 T153 | L120-L123 HydrophobicContact CB-CD2 4.21Å; L120-L123 HydrophobicContact CD1-CD2 4.49Å; L123-F127 HydrophobicContact CD2-CE2 4.46Å; L123-F127 HydrophobicContact CD2-CZ 4.43Å; L123-I147 HydrophobicContact CD1-CG2 4.01Å; L123-I147 HydrophobicContact CG-CG2 4.07Å; L123-Y148 PolarHBondContact N-O 2.85Å; L123-T149 HydrophobicContact CB-CG2 4.44Å; L123-T149 HydrophobicContact CD1-CG2 4.3Å; L123-E150 PolarHBondContact O-N 3.12Å; L123-E150 VanDerWaalsContact O-N 3.12Å; L123-T153 HydrophobicContact CB-CG2 3.72Å; L123-T153 HydrophobicContact CD1-CG2 4.37Å; L123-T153 PolarHBondContact O-OG1 3.24Å |
| 124 | P | 94.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | trans | -74.3 | 160.4 | 179.5 | 24.4 | -24.2 | 0 | 0 | 0 | 111.9 | F99 V101 Y122 R126 F127 E150 | F99-P124 HydrophobicContact CB-CG 4.18Å; V101-P124 HydrophobicContact CG2-CG 4.19Å; Y122-P124 HydrophobicContact CD1-CB 4.49Å; Y122-P124 HydrophobicContact CE1-CB 4.03Å; P124-R126 PolarHBondContact O-N 3.07Å; P124-F127 HydrophobicContact CG-CB 3.78Å; P124-F127 PolarHBondContact O-N 2.79Å; P124-E150 WeakPolarHBondContact CA-OE2 3.19Å | ||
| 125 | A | 94.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 33 Ų | 33 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 136.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F127 E150 P151 | A125-F127 PolarHBondContact O-N 3.45Å; A125-E150 HydrophobicContact CB-CB 4.24Å; A125-E150 WeakPolarHBondContact CB-OE2 3.33Å; A125-E150 PolarHBondContact N-OE2 3.49Å; A125-P151 VanDerWaalsContact CB-O 3.25Å; A125-P151 WeakPolarHBondContact CB-O 3.2Å |
| 126 | R | 95.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 37.6 Ų | 37.6 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.3 | 172.2 | -66.6 | 179.6 | 178.5 | 152.8 | 6.7 | 115.2 | P124 L128 Y129 D152 T153 D155 | P124-R126 PolarHBondContact O-N 3.07Å; R126-L128 PolarHBondContact O-N 2.88Å; R126-Y129 HydrophobicContact CB-CD2 4.28Å; R126-Y129 HydrophobicContact CB-CG 4.35Å; R126-Y129 HydrophobicContact CG-CD2 3.98Å; R126-Y129 WeakPolarHBondContact O-CB 3.39Å; R126-Y129 PolarHBondContact O-N 2.68Å; R126-D152 PolarHBondContact N-O 2.96Å; R126-T153 PolarHBondContact N-O 2.02Å; R126-D155 HydrophobicContact CG-CB 4.01Å; R126-D155 IonicContact CZ-OD2 2.77Å; R126-D155 IonicContact NE-OD2 3.72Å; R126-D155 PolarHBondContact NE-OD2 3.34Å; R126-D155 IonicContact NH2-OD2 3.29Å; R126-D155 PolarHBondContact NH2-OD2 3.13Å |
| 127 | F | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.7 | -173.2 | 79 | -73.7 | 0 | 0 | 0 | 114.8 | F99 V101 L123 P124 A125 M140 T153 F154 | F99-F127 HydrophobicContact CD1-CB 4.31Å; F99-F127 AromaticContact CD1-CD2 3.81Å; F99-F127 HydrophobicContact CD1-CD2 3.81Å; F99-F127 HydrophobicContact CD2-CD2 4.45Å; F99-F127 AromaticContact CE1-CD2 3.77Å; F99-F127 HydrophobicContact CE1-CD2 3.77Å; F99-F127 HydrophobicContact CE1-CE2 4.46Å; F99-F127 HydrophobicContact CE2-CD2 4.42Å; F99-F127 HydrophobicContact CG-CD2 4.17Å; F99-F127 HydrophobicContact CZ-CD2 4.09Å; F99-F127 HydrophobicContact CZ-CE2 4.35Å; V101-F127 HydrophobicContact CG2-CB 4.06Å; L123-F127 HydrophobicContact CD2-CE2 4.46Å; L123-F127 HydrophobicContact CD2-CZ 4.43Å; P124-F127 HydrophobicContact CG-CB 3.78Å; P124-F127 PolarHBondContact O-N 2.79Å; A125-F127 PolarHBondContact O-N 3.45Å; F127-M140 HydrophobicContact CZ-SD 4.05Å; F127-T153 HydrophobicContact CD1-CG2 4.03Å; F127-T153 WeakPolarHBondContact CD1-O 3.44Å; F127-T153 HydrophobicContact CE1-CG2 3.82Å; F127-F154 HydrophobicContact CE1-CD1 4.27Å; F127-F154 HydrophobicContact CE1-CE1 4.12Å; F127-F154 HydrophobicContact CZ-CE1 4.38Å |
| 128 | L | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 18.1 | 175.2 | -60 | 177 | 0 | 0 | 0 | 113.4 | F99 F104 L113 R126 G130 M131 L135 L138 L157 | F99-L128 HydrophobicContact CE1-CD2 4.33Å; F104-L128 HydrophobicContact CB-CD2 4.29Å; F104-L128 HydrophobicContact CD1-CD2 4.04Å; F104-L128 HydrophobicContact CG-CD2 4.37Å; L113-L128 HydrophobicContact CD2-CD1 4.03Å; L113-L128 HydrophobicContact CD2-CD2 3.88Å; R126-L128 PolarHBondContact O-N 2.88Å; L128-G130 PolarHBondContact O-N 2.9Å; L128-G130 VanDerWaalsContact O-N 3.15Å; L128-M131 HydrophobicContact CB-SD 4.4Å; L128-M131 HydrophobicContact CD2-SD 3.82Å; L128-M131 PolarHBondContact O-N 3.37Å; L128-L135 HydrophobicContact CD1-CD2 4.08Å; L128-L138 HydrophobicContact CD1-CD1 3.97Å; L128-L138 HydrophobicContact CD1-CD2 3.83Å; L128-L157 HydrophobicContact CB-CD1 4.49Å; L128-L157 HydrophobicContact CB-CD2 3.93Å; L128-L157 WeakPolarHBondContact O-CD2 3.24Å |
| 129 | Y | 95.9 | Very high | 95.4 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 52% | 0.518 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -57 | -35.2 | -173.1 | -175.4 | -87.4 | 0 | 0 | 0 | 113.5 | R126 M131 G132 | R126-Y129 HydrophobicContact CB-CD2 4.28Å; R126-Y129 HydrophobicContact CB-CG 4.35Å; R126-Y129 HydrophobicContact CG-CD2 3.98Å; R126-Y129 WeakPolarHBondContact O-CB 3.39Å; R126-Y129 PolarHBondContact O-N 2.68Å; Y129-M131 PolarHBondContact O-N 3.24Å; Y129-M131 VanDerWaalsContact O-N 3.16Å; Y129-G132 PolarHBondContact O-N 3.03Å |
| 130 | G | 93.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -60.5 | -23.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L128 | L128-G130 PolarHBondContact O-N 2.9Å; L128-G130 VanDerWaalsContact O-N 3.15Å |
| 131 | M | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -94.2 | 3.1 | 178.1 | -47 | 169.8 | 88.1 | 0 | 0 | 112 | F104 L107 V110 L113 L128 Y129 M133 S134 L135 | F104-M131 HydrophobicContact CD1-SD 4.29Å; L107-M131 HydrophobicContact CB-CE 3.89Å; L107-M131 HydrophobicContact CB-CG 4.14Å; L107-M131 HydrophobicContact CB-SD 4.42Å; L107-M131 HydrophobicContact CD1-CE 4.12Å; L107-M131 WeakPolarHBondContact O-CG 3.27Å; V110-M131 HydrophobicContact CB-CE 3.28Å; V110-M131 HydrophobicContact CG1-CE 3.2Å; V110-M131 HydrophobicContact CG2-CE 4.01Å; L113-M131 HydrophobicContact CB-CE 4.46Å; L113-M131 HydrophobicContact CD2-CE 4.17Å; L113-M131 HydrophobicContact CD2-SD 4.14Å; L128-M131 HydrophobicContact CB-SD 4.4Å; L128-M131 HydrophobicContact CD2-SD 3.82Å; L128-M131 PolarHBondContact O-N 3.37Å; Y129-M131 PolarHBondContact O-N 3.24Å; Y129-M131 VanDerWaalsContact O-N 3.16Å; M131-M133 PolarHBondContact O-N 3Å; M131-M133 VanDerWaalsContact O-N 3.08Å; M131-S134 PolarHBondContact O-N 2.9Å; M131-S134 PolarHBondContact O-OG 2.89Å; M131-L135 HydrophobicContact CB-CB 4.01Å; M131-L135 HydrophobicContact CE-CD1 4.22Å; M131-L135 WeakPolarHBondContact O-CB 3.37Å; M131-L135 PolarHBondContact O-N 3.4Å |
| 132 | G | 92.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y129 G156 N158 | Y129-G132 PolarHBondContact O-N 3.03Å; G132-G156 CarbonylContact C-O 3.6Å; G132-G156 WeakPolarHBondContact CA-O 3.32Å; G132-N158 PolarHBondContact O-N 3.06Å |
| 133 | M | 91.1 | Very high | 95.7 | Very high | 124 Ų | 124 | 36.6 Ų | 36.6 | 61% | 0.611 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.6 | 178.4 | -66.8 | -62.4 | -71.7 | 0 | 0 | 114 | M131 R159 | M131-M133 PolarHBondContact O-N 3Å; M131-M133 VanDerWaalsContact O-N 3.08Å; M133-R159 WeakPolarHBondContact O-CD 3.47Å; M133-R159 PolarHBondContact O-NE 3.22Å; M133-R159 PolarHBondContact O-NH1 3.35Å |
| 134 | S | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -32.4 | -172 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | V108 V110 S111 M131 K136 | V108-S134 WeakPolarHBondContact O-CB 3.39Å; V108-S134 PolarHBondContact O-OG 3.13Å; V110-S134 CarbonylContact O-C 3.48Å; V110-S134 WeakPolarHBondContact O-CB 3.3Å; V110-S134 PolarHBondContact O-OG 2.94Å; V110-S134 VanDerWaalsContact O-OG 3.07Å; S111-S134 WeakPolarHBondContact CA-O 3.31Å; S111-S134 PolarHBondContact OG-O 2.77Å; M131-S134 PolarHBondContact O-N 2.9Å; M131-S134 PolarHBondContact O-OG 2.89Å; S134-K136 PolarHBondContact O-N 3.42Å |
| 135 | L | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -65.5 | 116.4 | -174.8 | -165.4 | 68 | 0 | 0 | 0 | 110.9 | V110 L113 L128 M131 L138 L157 R159 L160 | V110-L135 HydrophobicContact CG1-CD1 4.35Å; V110-L135 VanDerWaalsContact O-CA 3.31Å; V110-L135 WeakPolarHBondContact O-CA 3.33Å; V110-L135 PolarHBondContact O-N 3.47Å; L113-L135 HydrophobicContact CB-CD1 3.81Å; L128-L135 HydrophobicContact CD1-CD2 4.08Å; M131-L135 HydrophobicContact CB-CB 4.01Å; M131-L135 HydrophobicContact CE-CD1 4.22Å; M131-L135 WeakPolarHBondContact O-CB 3.37Å; M131-L135 PolarHBondContact O-N 3.4Å; L135-L138 HydrophobicContact CD2-CB 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.48Å; L135-L157 HydrophobicContact CD2-CD1 4.47Å; L135-L157 HydrophobicContact CD2-CD2 4.02Å; L135-R159 CarbonylContact O-C 3.46Å; L135-L160 HydrophobicContact CD2-CD1 4.33Å; L135-L160 HydrophobicContact CG-CD1 4.21Å; L135-L160 WeakPolarHBondContact O-CA 3.34Å; L135-L160 PolarHBondContact O-N 3.36Å | ||
| 136 | K | 97.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 44.6 Ų | 44.6 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | trans | -106.2 | -38 | -179.1 | -74.3 | -179.5 | -167.2 | 172.3 | 0 | 111.6 | S111 S134 H161 H162 | S111-K136 PolarHBondContact O-N 3.27Å; S111-K136 WeakPolarHBondContact OG-CD 3.46Å; S111-K136 VanDerWaalsContact OG-CG 3.27Å; S111-K136 WeakPolarHBondContact OG-CG 3.34Å; S134-K136 PolarHBondContact O-N 3.42Å; K136-H161 VanDerWaalsContact CB-CE1 3.42Å; K136-H161 WeakPolarHBondContact CB-CE1 3.44Å; K136-H161 PolarHBondContact O-N 2.9Å; K136-H161 VanDerWaalsContact O-N 3.11Å; K136-H162 PolarHBondContact O-N 3.12Å; K136-H162 VanDerWaalsContact O-N 3.11Å | ||
| 137 | R | 98.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.1 | -174.2 | -176.6 | 156.7 | -170.6 | -178.5 | 10.3 | 111.2 | S111 Y112 L113 E139 H162 | S111-R137 PolarHBondContact O-N 2.94Å; Y112-R137 WeakPolarHBondContact CA-O 3.45Å; Y112-R137 HydrophobicContact CD2-CB 3.93Å; Y112-R137 HydrophobicContact CD2-CG 3.62Å; Y112-R137 HydrophobicContact CE2-CG 3.86Å; L113-R137 PolarHBondContact N-O 3.25Å; R137-E139 HydrophobicContact CG-CG 4.41Å; R137-E139 IonicContact CZ-OE1 2.9Å; R137-E139 VanDerWaalsContact CZ-OE1 3.24Å; R137-E139 IonicContact NE-OE1 2.69Å; R137-E139 PolarHBondContact NE-OE1 3.36Å; R137-E139 IonicContact NH2-OE1 3.04Å; R137-E139 PolarHBondContact NH2-OE1 2.92Å; R137-H162 WeakPolarHBondContact CA-O 3.14Å; R137-H162 HydrophobicContact CB-CB 4.03Å; R137-H162 HydrophobicContact CG-CB 3.93Å; R137-H162 PolarHBondContact NE-CD2 3.31Å; R137-H162 VanDerWaalsContact NE-CD2 3.25Å; R137-H162 PolarHBondContact NE-CE1 2.78Å; R137-H162 PolarHBondContact NE-NE2 2.83Å; R137-H162 PolarHBondContact NH2-CE1 2.95Å; R137-H162 PolarHBondContact NH2-NE2 3.26Å |
| 138 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.1 | 178.1 | 179.7 | 57.4 | 0 | 0 | 0 | 109.3 | L113 L128 L135 M140 F154 L157 L160 H162 L163 N164 | L113-L138 HydrophobicContact CB-CD1 4.14Å; L113-L138 HydrophobicContact CD2-CD1 4Å; L113-L138 HydrophobicContact CG-CD1 4.09Å; L113-L138 WeakPolarHBondContact O-CA 3.28Å; L128-L138 HydrophobicContact CD1-CD1 3.97Å; L128-L138 HydrophobicContact CD1-CD2 3.83Å; L135-L138 HydrophobicContact CD2-CB 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.48Å; L138-M140 HydrophobicContact CD1-CG 3.73Å; L138-M140 HydrophobicContact CD1-SD 3.97Å; L138-M140 HydrophobicContact CD2-CE 3.77Å; L138-M140 HydrophobicContact CD2-CG 4.36Å; L138-M140 HydrophobicContact CD2-SD 3.86Å; L138-M140 HydrophobicContact CG-CE 4.17Å; L138-M140 HydrophobicContact CG-CG 3.82Å; L138-M140 HydrophobicContact CG-SD 3.98Å; L138-F154 HydrophobicContact CD2-CE1 4.13Å; L138-L157 HydrophobicContact CD2-CD1 4.39Å; L138-L160 HydrophobicContact CB-CD1 3.58Å; L138-L160 HydrophobicContact CB-CD2 4.44Å; L138-L160 HydrophobicContact CD2-CD2 4.48Å; L138-H162 PolarHBondContact N-O 2.88Å; L138-L163 HydrophobicContact CB-CD1 4.07Å; L138-L163 HydrophobicContact CD2-CD1 4.03Å; L138-L163 HydrophobicContact CG-CD1 4.05Å; L138-L163 WeakPolarHBondContact O-CA 3.38Å; L138-N164 PolarHBondContact O-N 3.09Å |
| 139 | E | 98.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.7 | 176.9 | -56.7 | -79 | 171.5 | 0 | 0 | 108.5 | Y112 L113 D114 L115 R137 H162 N164 | Y112-E139 HydrophobicContact CE2-CG 4.08Å; L113-E139 PolarHBondContact O-N 3.47Å; D114-E139 HydrophobicContact CB-CB 3.94Å; D114-E139 HydrophobicContact CB-CG 4.45Å; D114-E139 VanDerWaalsContact CG-CB 3.49Å; D114-E139 WeakPolarHBondContact OD1-CB 3.18Å; L115-E139 PolarHBondContact N-O 3.12Å; R137-E139 HydrophobicContact CG-CG 4.41Å; R137-E139 IonicContact CZ-OE1 2.9Å; R137-E139 VanDerWaalsContact CZ-OE1 3.24Å; R137-E139 IonicContact NE-OE1 2.69Å; R137-E139 PolarHBondContact NE-OE1 3.36Å; R137-E139 IonicContact NH2-OE1 3.04Å; R137-E139 PolarHBondContact NH2-OE1 2.92Å; E139-H162 IonicContact OE1-CD2 3.78Å; E139-H162 IonicContact OE1-NE2 3.92Å; E139-H162 PolarHBondContact OE1-NE2 3.3Å; E139-H162 VanDerWaalsContact OE1-NE2 3.17Å; E139-N164 WeakPolarHBondContact OE2-CB 3.41Å; E139-N164 VanDerWaalsContact OE2-CG 3.29Å; E139-N164 PolarHBondContact OE2-ND2 3.11Å |
| 140 | M | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -143.8 | 49.3 | -174.9 | -72.5 | -164.6 | -44 | 0 | 0 | 109.8 | L115 F127 L138 L143 F154 L163 N164 L165 N168 | L115-M140 HydrophobicContact CB-CG 4.29Å; L115-M140 HydrophobicContact CD1-SD 4.43Å; F127-M140 HydrophobicContact CZ-SD 4.05Å; L138-M140 HydrophobicContact CD1-CG 3.73Å; L138-M140 HydrophobicContact CD1-SD 3.97Å; L138-M140 HydrophobicContact CD2-CE 3.77Å; L138-M140 HydrophobicContact CD2-CG 4.36Å; L138-M140 HydrophobicContact CD2-SD 3.86Å; L138-M140 HydrophobicContact CG-CE 4.17Å; L138-M140 HydrophobicContact CG-CG 3.82Å; L138-M140 HydrophobicContact CG-SD 3.98Å; M140-L143 HydrophobicContact CB-CD1 3.89Å; M140-L143 HydrophobicContact CB-CD2 4.41Å; M140-L143 HydrophobicContact CB-CG 4.27Å; M140-L143 HydrophobicContact CG-CD1 4.47Å; M140-L143 WeakPolarHBondContact O-CG 3.18Å; M140-L143 HydrophobicContact SD-CD1 4.43Å; M140-F154 HydrophobicContact CE-CE1 3.46Å; M140-F154 VanDerWaalsContact CE-CE1 3.46Å; M140-F154 HydrophobicContact CE-CZ 3.59Å; M140-L163 HydrophobicContact CE-CD1 4.29Å; M140-N164 CarbonylContact C-O 3.51Å; M140-N164 VanDerWaalsContact C-O 3.24Å; M140-N164 WeakPolarHBondContact CA-O 3.14Å; M140-N164 PolarHBondContact N-O 3.3Å; M140-L165 HydrophobicContact CB-CD2 4.13Å; M140-L165 HydrophobicContact CE-CD2 3.59Å; M140-N168 PolarHBondContact O-ND2 3.46Å | ||
| 141 | S | 96.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | trans | -85.6 | 155.5 | 176.3 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | S116 G117 L143 A166 | S116-S141 CarbonylContact C-O 3.55Å; S116-S141 WeakPolarHBondContact CA-O 3.33Å; S116-S141 VanDerWaalsContact CB-O 3.26Å; S116-S141 WeakPolarHBondContact CB-O 3.26Å; S116-S141 VanDerWaalsContact CB-OG 3.27Å; S116-S141 WeakPolarHBondContact CB-OG 3.36Å; S116-S141 PolarHBondContact OG-N 3.12Å; S116-S141 VanDerWaalsContact OG-N 3.07Å; S116-S141 PolarHBondContact OG-OG 3.23Å; G117-S141 PolarHBondContact N-O 3.13Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.11Å; S141-A166 CarbonylContact C-O 3.49Å; S141-A166 WeakPolarHBondContact CA-O 3.35Å; S141-A166 WeakPolarHBondContact CB-O 3.04Å | ||
| 142 | L | 96.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 55.5 | 40.5 | 174.2 | -60.7 | 162.1 | 0 | 0 | 0 | 114.1 | F88 G117 A166 Y167 N168 | F88-L142 HydrophobicContact CE1-CD1 4.35Å; F88-L142 HydrophobicContact CZ-CD1 4.27Å; G117-L142 VanDerWaalsContact CA-O 3.28Å; G117-L142 WeakPolarHBondContact CA-O 3.4Å; G117-L142 PolarHBondContact N-O 3.4Å; L142-A166 PolarHBondContact N-O 3.48Å; L142-Y167 VanDerWaalsContact CD2-CB 3.44Å; L142-Y167 HydrophobicContact CD2-CG 4.15Å; L142-N168 PolarHBondContact N-OD1 3.06Å |
| 143 | L | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -79.1 | -35.7 | -177.2 | -67.5 | -175.9 | 0 | 0 | 0 | 114.4 | L115 N118 E119 L120 M140 S141 I147 N168 | L115-L143 WeakPolarHBondContact O-CD2 3.19Å; N118-L143 CarbonylContact C-O 3.6Å; N118-L143 CarbonylContact O-C 3.54Å; N118-L143 VanDerWaalsContact O-C 3.28Å; N118-L143 WeakPolarHBondContact O-CA 3.4Å; E119-L143 CarbonylContact C-O 3.6Å; E119-L143 VanDerWaalsContact CA-O 3.27Å; E119-L143 WeakPolarHBondContact CA-O 3.16Å; L120-L143 HydrophobicContact CB-CB 4.31Å; L120-L143 HydrophobicContact CB-CD1 4.2Å; L120-L143 HydrophobicContact CB-CD2 4.27Å; L120-L143 HydrophobicContact CB-CG 4.5Å; L120-L143 HydrophobicContact CD1-CD1 4.36Å; L120-L143 HydrophobicContact CD1-CD2 3.85Å; L120-L143 HydrophobicContact CG-CD2 4.1Å; L120-L143 PolarHBondContact N-O 3.33Å; M140-L143 HydrophobicContact CB-CD1 3.89Å; M140-L143 HydrophobicContact CB-CD2 4.41Å; M140-L143 HydrophobicContact CB-CG 4.27Å; M140-L143 HydrophobicContact CG-CD1 4.47Å; M140-L143 WeakPolarHBondContact O-CG 3.18Å; M140-L143 HydrophobicContact SD-CD1 4.43Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.11Å; L143-I147 HydrophobicContact CB-CD1 3.83Å; L143-I147 HydrophobicContact CD1-CD1 4.14Å; L143-N168 WeakPolarHBondContact CB-OD1 3.48Å; L143-N168 PolarHBondContact N-OD1 3.27Å | ||
| 144 | S | 87.4 | Confident | 94.4 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | trans | -175.4 | 166.5 | -178.7 | -170.3 | 0 | 0 | 0 | 0 | 112.5 | N121 K146 | N121-S144 WeakPolarHBondContact OD1-CB 3.42Å; N121-S144 PolarHBondContact OD1-OG 2.81Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact OG-N 3.4Å | ||
| 145 | S | 82.9 | Confident | 94.3 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 66% | 0.657 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -75.4 | -16.1 | 167.9 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | I169 | S145-I169 WeakPolarHBondContact O-CB 3.4Å; S145-I169 VanDerWaalsContact O-CG2 3.3Å; S145-I169 WeakPolarHBondContact O-CG2 3.44Å |
| 146 | K | 90.4 | Very high | 94 | Very high | 104 Ų | 104 | 40 Ų | 40 | 45% | 0.452 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -158.1 | 107.9 | 177.1 | -167.9 | 169.5 | -171.4 | -172.7 | 0 | 111 | S144 Y148 I169 A171 | S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact OG-N 3.4Å; K146-Y148 HydrophobicContact CD-CE2 4.2Å; K146-Y148 WeakPolarHBondContact CE-OH 3.34Å; K146-Y148 HydrophobicContact CG-CE2 4.11Å; K146-Y148 PolarHBondContact NZ-OH 2.89Å; K146-I169 CarbonylContact C-O 3.6Å; K146-I169 WeakPolarHBondContact CA-O 2.89Å; K146-A171 HydrophobicContact CD-CB 4.1Å; K146-A171 HydrophobicContact CG-CB 3.61Å |
| 147 | I | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.9 | -177.7 | -53.1 | 173.3 | 0 | 0 | 0 | 109.7 | N121 L123 L143 T149 N168 I169 F170 A171 | N121-I147 CarbonylContact O-C 3.15Å; N121-I147 WeakPolarHBondContact O-CA 3.43Å; L123-I147 HydrophobicContact CD1-CG2 4.01Å; L123-I147 HydrophobicContact CG-CG2 4.07Å; L143-I147 HydrophobicContact CB-CD1 3.83Å; L143-I147 HydrophobicContact CD1-CD1 4.14Å; I147-T149 HydrophobicContact CG2-CG2 4.38Å; I147-N168 HydrophobicContact CD1-CB 3.72Å; I147-I169 PolarHBondContact N-O 2.99Å; I147-F170 HydrophobicContact CB-CD1 4Å; I147-F170 HydrophobicContact CB-CE1 4.29Å; I147-F170 HydrophobicContact CD1-CD1 4.47Å; I147-F170 HydrophobicContact CD1-CE1 4.1Å; I147-F170 HydrophobicContact CD1-CZ 4.41Å; I147-F170 HydrophobicContact CG2-CD1 4.17Å; I147-F170 HydrophobicContact CG2-CE1 4.17Å; I147-A171 WeakPolarHBondContact O-CB 3.35Å; I147-A171 PolarHBondContact O-N 2.77Å |
| 148 | Y | 93.2 | Very high | 93.5 | Very high | 105 Ų | 105 | 34.6 Ų | 34.6 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.5 | 169 | -65.4 | -89.7 | 0 | 0 | 0 | 110.5 | N121 Y122 L123 K146 A171 N172 | N121-Y148 PolarHBondContact O-N 2.72Å; Y122-Y148 WeakPolarHBondContact CA-O 3.49Å; L123-Y148 PolarHBondContact N-O 2.85Å; K146-Y148 HydrophobicContact CD-CE2 4.2Å; K146-Y148 WeakPolarHBondContact CE-OH 3.34Å; K146-Y148 HydrophobicContact CG-CE2 4.11Å; K146-Y148 PolarHBondContact NZ-OH 2.89Å; Y148-A171 HydrophobicContact CD1-CB 3.57Å; Y148-A171 HydrophobicContact CD2-CB 4.27Å; Y148-A171 HydrophobicContact CE1-CB 3.41Å; Y148-A171 VanDerWaalsContact CE1-CB 3.41Å; Y148-A171 HydrophobicContact CE2-CB 4.15Å; Y148-A171 HydrophobicContact CG-CB 4.02Å; Y148-N172 WeakPolarHBondContact CA-OD1 3.08Å; Y148-N172 WeakPolarHBondContact CD1-OD1 3.44Å |
| 149 | T | 93.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.9 | 176 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | L123 I147 F170 N172 A177 | L123-T149 HydrophobicContact CB-CG2 4.44Å; L123-T149 HydrophobicContact CD1-CG2 4.3Å; I147-T149 HydrophobicContact CG2-CG2 4.38Å; T149-F170 HydrophobicContact CG2-CD1 4.27Å; T149-F170 HydrophobicContact CG2-CE1 4.39Å; T149-N172 PolarHBondContact N-OD1 3.38Å; T149-N172 VanDerWaalsContact N-OD1 3.1Å; T149-N172 PolarHBondContact O-ND2 2.9Å; T149-N172 PolarHBondContact OG1-O 2.89Å; T149-A177 WeakPolarHBondContact OG1-CB 3.39Å |
| 150 | E | 93.1 | Very high | 93.2 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | trans | -76.2 | 160.3 | 166.5 | -73.9 | -172.8 | 160.5 | 0 | 0 | 111.3 | Y122 L123 P124 A125 T153 | Y122-E150 HydrophobicContact CE1-CG 4.39Å; Y122-E150 HydrophobicContact CE2-CG 4.43Å; Y122-E150 WeakPolarHBondContact OH-CG 3.49Å; Y122-E150 PolarHBondContact OH-OE1 2.72Å; L123-E150 PolarHBondContact O-N 3.12Å; L123-E150 VanDerWaalsContact O-N 3.12Å; P124-E150 WeakPolarHBondContact CA-OE2 3.19Å; A125-E150 HydrophobicContact CB-CB 4.24Å; A125-E150 WeakPolarHBondContact CB-OE2 3.33Å; A125-E150 PolarHBondContact N-OE2 3.49Å; E150-T153 PolarHBondContact N-OG1 3.34Å; E150-T153 PolarHBondContact O-N 3.18Å; E150-T153 PolarHBondContact O-OG1 2.93Å | ||
| 151 | P | 92.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 144.7 | 162.6 | -26.8 | 36.7 | 0 | 0 | 0 | 111.1 | A125 T153 D176 | A125-P151 VanDerWaalsContact CB-O 3.25Å; A125-P151 WeakPolarHBondContact CB-O 3.2Å; P151-T153 PolarHBondContact O-N 2.85Å; P151-D176 HydrophobicContact CB-CB 4.15Å; P151-D176 VanDerWaalsContact CB-OD2 3.31Å; P151-D176 WeakPolarHBondContact CB-OD2 3.34Å; P151-D176 WeakPolarHBondContact CG-OD2 3.48Å |
| 152 | D | 94.3 | Very high | 93.2 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 25.6 | 177.6 | -56.6 | -38.1 | 0 | 0 | 0 | 114.3 | R126 F154 D155 D176 N179 | R126-D152 PolarHBondContact N-O 2.96Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.11Å; D152-D155 HydrophobicContact CB-CB 3.71Å; D152-D155 VanDerWaalsContact O-CB 3.29Å; D152-D155 WeakPolarHBondContact O-CB 3.39Å; D152-D155 PolarHBondContact O-N 3.11Å; D152-D155 VanDerWaalsContact O-N 3.1Å; D152-D176 WeakPolarHBondContact CA-O 3.32Å; D152-D176 PolarHBondContact N-O 2.72Å; D152-N179 WeakPolarHBondContact OD1-CB 3.37Å; D152-N179 PolarHBondContact OD1-ND2 2.8Å |
| 153 | T | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -47.1 | 176.8 | -70.9 | 0 | 0 | 0 | 0 | 112.2 | L123 R126 F127 E150 P151 A177 | L123-T153 HydrophobicContact CB-CG2 3.72Å; L123-T153 HydrophobicContact CD1-CG2 4.37Å; L123-T153 PolarHBondContact O-OG1 3.24Å; R126-T153 PolarHBondContact N-O 2.02Å; F127-T153 HydrophobicContact CD1-CG2 4.03Å; F127-T153 WeakPolarHBondContact CD1-O 3.44Å; F127-T153 HydrophobicContact CE1-CG2 3.82Å; E150-T153 PolarHBondContact N-OG1 3.34Å; E150-T153 PolarHBondContact O-N 3.18Å; E150-T153 PolarHBondContact O-OG1 2.93Å; P151-T153 PolarHBondContact O-N 2.85Å; T153-A177 PolarHBondContact N-O 2.78Å |
| 154 | F | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 13.7 | -178.9 | -62.8 | -71.5 | 0 | 0 | 0 | 114.4 | F127 L138 M140 D152 L157 A177 L178 N179 L181 | F127-F154 HydrophobicContact CE1-CD1 4.27Å; F127-F154 HydrophobicContact CE1-CE1 4.12Å; F127-F154 HydrophobicContact CZ-CE1 4.38Å; L138-F154 HydrophobicContact CD2-CE1 4.13Å; M140-F154 HydrophobicContact CE-CE1 3.46Å; M140-F154 VanDerWaalsContact CE-CE1 3.46Å; M140-F154 HydrophobicContact CE-CZ 3.59Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.11Å; F154-L157 HydrophobicContact CB-CD1 4.27Å; F154-L157 HydrophobicContact CD1-CD1 3.85Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 WeakPolarHBondContact O-CG 3.33Å; F154-L157 PolarHBondContact O-N 2.03Å; F154-A177 WeakPolarHBondContact CD2-O 3.36Å; F154-A177 PolarHBondContact N-O 3.15Å; F154-A177 VanDerWaalsContact N-O 3.14Å; F154-L178 HydrophobicContact CD2-CD2 3.67Å; F154-L178 HydrophobicContact CE2-CD2 3.86Å; F154-N179 CarbonylContact C-O 3.54Å; F154-L181 HydrophobicContact CB-CD1 3.77Å; F154-L181 HydrophobicContact CB-CD2 3.94Å; F154-L181 HydrophobicContact CB-CG 3.7Å; F154-L181 HydrophobicContact CD2-CD1 4.09Å; F154-L181 HydrophobicContact CG-CD1 3.96Å; F154-L181 HydrophobicContact CG-CG 4.42Å |
| 155 | D | 95 | Very high | 93.8 | Very high | 24 Ų | 24 | 40 Ų | 40 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 143.1 | -178.7 | -176.2 | 34.5 | 0 | 0 | 0 | 111.5 | R126 D152 L157 N179 | R126-D155 HydrophobicContact CG-CB 4.01Å; R126-D155 IonicContact CZ-OD2 2.77Å; R126-D155 IonicContact NE-OD2 3.72Å; R126-D155 PolarHBondContact NE-OD2 3.34Å; R126-D155 IonicContact NH2-OD2 3.29Å; R126-D155 PolarHBondContact NH2-OD2 3.13Å; D152-D155 HydrophobicContact CB-CB 3.71Å; D152-D155 VanDerWaalsContact O-CB 3.29Å; D152-D155 WeakPolarHBondContact O-CB 3.39Å; D152-D155 PolarHBondContact O-N 3.11Å; D152-D155 VanDerWaalsContact O-N 3.1Å; D155-L157 PolarHBondContact O-N 3.07Å; D155-N179 WeakPolarHBondContact CA-O 3.47Å; D155-N179 PolarHBondContact N-O 3.03Å |
| 156 | G | 92.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -13.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | G132 N158 | G132-G156 CarbonylContact C-O 3.6Å; G132-G156 WeakPolarHBondContact CA-O 3.32Å; G156-N158 PolarHBondContact O-N 3Å; G156-N158 PolarHBondContact O-ND2 2.99Å; G156-N158 VanDerWaalsContact O-ND2 3.15Å |
| 157 | L | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | trans | -76.3 | 54.5 | -178.6 | -61.2 | -174.8 | 0 | 0 | 0 | 114.1 | L128 L135 L138 F154 D155 R159 L160 L181 | L128-L157 HydrophobicContact CB-CD1 4.49Å; L128-L157 HydrophobicContact CB-CD2 3.93Å; L128-L157 WeakPolarHBondContact O-CD2 3.24Å; L135-L157 HydrophobicContact CD2-CD1 4.47Å; L135-L157 HydrophobicContact CD2-CD2 4.02Å; L138-L157 HydrophobicContact CD2-CD1 4.39Å; F154-L157 HydrophobicContact CB-CD1 4.27Å; F154-L157 HydrophobicContact CD1-CD1 3.85Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 WeakPolarHBondContact O-CG 3.33Å; F154-L157 PolarHBondContact O-N 2.03Å; D155-L157 PolarHBondContact O-N 3.07Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.27Å; L157-L160 HydrophobicContact CB-CB 4.1Å; L157-L160 HydrophobicContact CB-CD2 4.49Å; L157-L160 HydrophobicContact CD1-CD2 4.16Å; L157-L160 VanDerWaalsContact O-CB 3.31Å; L157-L160 WeakPolarHBondContact O-CB 3.19Å; L157-L160 PolarHBondContact O-N 3.3Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L157-L181 HydrophobicContact CB-CD2 4.12Å | ||
| 158 | N | 89.4 | Confident | 94.6 | Very high | 73 Ų | 73 | 36.2 Ų | 36.2 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.5 | -168.2 | -68.3 | -62.2 | 0 | 0 | 0 | 115.1 | G132 G156 | G132-N158 PolarHBondContact O-N 3.06Å; G156-N158 PolarHBondContact O-N 3Å; G156-N158 PolarHBondContact O-ND2 2.99Å; G156-N158 VanDerWaalsContact O-ND2 3.15Å |
| 159 | R | 94.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 34.2 Ų | 34.2 | 51% | 0.513 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -3.5 | 179.2 | -65.6 | -159.2 | 178 | 168.1 | -9.9 | 113.9 | M133 L135 L157 H161 | M133-R159 WeakPolarHBondContact O-CD 3.47Å; M133-R159 PolarHBondContact O-NE 3.22Å; M133-R159 PolarHBondContact O-NH1 3.35Å; L135-R159 CarbonylContact O-C 3.46Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.27Å; R159-H161 PolarHBondContact O-N 3.44Å; R159-H161 PolarHBondContact O-ND1 3.22Å |
| 160 | L | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -68.7 | 124.5 | -178 | -167.6 | 75.6 | 0 | 0 | 0 | 109.9 | L135 L138 L157 L163 L181 | L135-L160 HydrophobicContact CD2-CD1 4.33Å; L135-L160 HydrophobicContact CG-CD1 4.21Å; L135-L160 WeakPolarHBondContact O-CA 3.34Å; L135-L160 PolarHBondContact O-N 3.36Å; L138-L160 HydrophobicContact CB-CD1 3.58Å; L138-L160 HydrophobicContact CB-CD2 4.44Å; L138-L160 HydrophobicContact CD2-CD2 4.48Å; L157-L160 HydrophobicContact CB-CB 4.1Å; L157-L160 HydrophobicContact CB-CD2 4.49Å; L157-L160 HydrophobicContact CD1-CD2 4.16Å; L157-L160 VanDerWaalsContact O-CB 3.31Å; L157-L160 WeakPolarHBondContact O-CB 3.19Å; L157-L160 PolarHBondContact O-N 3.3Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L160-L163 HydrophobicContact CD2-CB 4.45Å; L160-L163 HydrophobicContact CD2-CD1 4.39Å; L160-L181 HydrophobicContact CB-CD2 4.41Å; L160-L181 HydrophobicContact CD2-CD2 3.78Å | ||
| 161 | H | 96.1 | Very high | 94 | Very high | 65 Ų | 65 | 34 Ų | 34 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | trans | -139.6 | -1 | 177.9 | 57.6 | -79.3 | 0 | 0 | 0 | 112.5 | K136 R159 H185 S187 Y188 | K136-H161 VanDerWaalsContact CB-CE1 3.42Å; K136-H161 WeakPolarHBondContact CB-CE1 3.44Å; K136-H161 PolarHBondContact O-N 2.9Å; K136-H161 VanDerWaalsContact O-N 3.11Å; R159-H161 PolarHBondContact O-N 3.44Å; R159-H161 PolarHBondContact O-ND1 3.22Å; H161-H185 WeakPolarHBondContact CB-O 3.47Å; H161-S187 PolarHBondContact CD2-OG 3.38Å; H161-S187 VanDerWaalsContact CD2-OG 3.26Å; H161-S187 PolarHBondContact O-N 3.45Å; H161-S187 PolarHBondContact O-OG 3.1Å; H161-Y188 PolarHBondContact O-N 2.84Å | ||
| 162 | H | 97.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.5 | 173.4 | -169.9 | 116.4 | 0 | 0 | 0 | 108.5 | K136 R137 L138 E139 Y188 | K136-H162 PolarHBondContact O-N 3.12Å; K136-H162 VanDerWaalsContact O-N 3.11Å; R137-H162 WeakPolarHBondContact CA-O 3.14Å; R137-H162 HydrophobicContact CB-CB 4.03Å; R137-H162 HydrophobicContact CG-CB 3.93Å; R137-H162 PolarHBondContact NE-CD2 3.31Å; R137-H162 VanDerWaalsContact NE-CD2 3.25Å; R137-H162 PolarHBondContact NE-CE1 2.78Å; R137-H162 PolarHBondContact NE-NE2 2.83Å; R137-H162 PolarHBondContact NH2-CE1 2.95Å; R137-H162 PolarHBondContact NH2-NE2 3.26Å; L138-H162 PolarHBondContact N-O 2.88Å; E139-H162 IonicContact OE1-CD2 3.78Å; E139-H162 IonicContact OE1-NE2 3.92Å; E139-H162 PolarHBondContact OE1-NE2 3.3Å; E139-H162 VanDerWaalsContact OE1-NE2 3.17Å; H162-Y188 WeakPolarHBondContact CA-O 3.37Å; H162-Y188 AromaticContact CD2-CD1 3.47Å; H162-Y188 VanDerWaalsContact CD2-CD1 3.47Å; H162-Y188 WeakPolarHBondContact CD2-CD1 3.39Å; H162-Y188 AromaticContact CE1-CD1 3.2Å; H162-Y188 WeakPolarHBondContact CE1-CD1 3.15Å; H162-Y188 AromaticContact CE1-CD2 3.82Å; H162-Y188 AromaticContact CE1-CE1 3.7Å; H162-Y188 AromaticContact CE1-CG 3.23Å; H162-Y188 AromaticContact CG-CD1 3.87Å; H162-Y188 VanDerWaalsContact ND1-CB 3.29Å; H162-Y188 WeakPolarHBondContact ND1-CB 3.31Å; H162-Y188 AromaticContact ND1-CD1 3.73Å; H162-Y188 AromaticContact ND1-CG 3.56Å; H162-Y188 AromaticContact NE2-CD1 3.04Å; H162-Y188 WeakPolarHBondContact NE2-CD1 3.29Å; H162-Y188 AromaticContact NE2-CE1 3.3Å; H162-Y188 VanDerWaalsContact NE2-CE1 3.3Å; H162-Y188 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y188 AromaticContact NE2-CG 3.63Å |
| 163 | L | 97.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.5 | -179.2 | -179.9 | 58.8 | 0 | 0 | 0 | 110.5 | L138 M140 L160 L165 L181 F186 Y188 L189 N190 | L138-L163 HydrophobicContact CB-CD1 4.07Å; L138-L163 HydrophobicContact CD2-CD1 4.03Å; L138-L163 HydrophobicContact CG-CD1 4.05Å; L138-L163 WeakPolarHBondContact O-CA 3.38Å; M140-L163 HydrophobicContact CE-CD1 4.29Å; L160-L163 HydrophobicContact CD2-CB 4.45Å; L160-L163 HydrophobicContact CD2-CD1 4.39Å; L163-L165 HydrophobicContact CD1-CD2 4.05Å; L163-L165 HydrophobicContact CD1-CG 4.16Å; L163-L165 HydrophobicContact CD2-CD1 3.99Å; L163-L165 HydrophobicContact CD2-CG 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.28Å; L163-L165 HydrophobicContact CG-CD2 4.4Å; L163-L165 HydrophobicContact CG-CG 3.96Å; L163-L181 HydrophobicContact CD2-CD1 4.45Å; L163-F186 HydrophobicContact CB-CE1 3.67Å; L163-F186 HydrophobicContact CD2-CE1 4.21Å; L163-F186 HydrophobicContact CD2-CZ 4.46Å; L163-Y188 PolarHBondContact N-O 3.2Å; L163-L189 HydrophobicContact CB-CD1 4.04Å; L163-L189 HydrophobicContact CD2-CD1 4.05Å; L163-L189 HydrophobicContact CG-CD1 4.13Å; L163-L189 CarbonylContact O-C 3.42Å; L163-L189 VanDerWaalsContact O-CA 3.29Å; L163-L189 WeakPolarHBondContact O-CA 3.37Å; L163-N190 PolarHBondContact O-N 3.12Å |
| 164 | N | 97.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.6 | 174.3 | -176 | 2.6 | 0 | 0 | 0 | 110.1 | L138 E139 M140 A166 Y188 N190 | L138-N164 PolarHBondContact O-N 3.09Å; E139-N164 WeakPolarHBondContact OE2-CB 3.41Å; E139-N164 VanDerWaalsContact OE2-CG 3.29Å; E139-N164 PolarHBondContact OE2-ND2 3.11Å; M140-N164 CarbonylContact C-O 3.51Å; M140-N164 VanDerWaalsContact C-O 3.24Å; M140-N164 WeakPolarHBondContact CA-O 3.14Å; M140-N164 PolarHBondContact N-O 3.3Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.43Å; N164-Y188 HydrophobicContact CB-CE1 4.46Å; N164-N190 HydrophobicContact CB-CB 4.31Å; N164-N190 WeakPolarHBondContact OD1-CB 3.43Å; N164-N190 PolarHBondContact OD1-ND2 2.72Å |
| 165 | L | 95.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | trans | -119.1 | 20.4 | 177.1 | -62.2 | 174.8 | 0 | 0 | 0 | 111.2 | M140 L163 N168 F170 N190 L191 V194 | M140-L165 HydrophobicContact CB-CD2 4.13Å; M140-L165 HydrophobicContact CE-CD2 3.59Å; L163-L165 HydrophobicContact CD1-CD2 4.05Å; L163-L165 HydrophobicContact CD1-CG 4.16Å; L163-L165 HydrophobicContact CD2-CD1 3.99Å; L163-L165 HydrophobicContact CD2-CG 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.28Å; L163-L165 HydrophobicContact CG-CD2 4.4Å; L163-L165 HydrophobicContact CG-CG 3.96Å; L165-N168 WeakPolarHBondContact CA-ND2 3.32Å; L165-N168 WeakPolarHBondContact O-CB 3.25Å; L165-N168 PolarHBondContact O-ND2 2.88Å; L165-F170 HydrophobicContact CB-CE2 4.49Å; L165-F170 HydrophobicContact CB-CZ 4.37Å; L165-F170 HydrophobicContact CD1-CZ 4.12Å; L165-F170 HydrophobicContact CD2-CZ 4.27Å; L165-F170 HydrophobicContact CG-CZ 4.49Å; L165-N190 PolarHBondContact N-O 2.84Å; L165-L191 HydrophobicContact CB-CD2 4.11Å; L165-L191 HydrophobicContact CD1-CD2 4.22Å; L165-V194 WeakPolarHBondContact O-CG2 3.36Å | ||
| 166 | A | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 147.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S141 L142 N164 N168 N190 E192 | S141-A166 CarbonylContact C-O 3.49Å; S141-A166 WeakPolarHBondContact CA-O 3.35Å; S141-A166 WeakPolarHBondContact CB-O 3.04Å; L142-A166 PolarHBondContact N-O 3.48Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.43Å; A166-N168 PolarHBondContact O-N 2.81Å; A166-N190 PolarHBondContact N-O 3.3Å; A166-E192 CarbonylContact C-O 3.44Å; A166-E192 WeakPolarHBondContact CA-O 3.37Å; A166-E192 HydrophobicContact CB-CB 4.15Å; A166-E192 WeakPolarHBondContact CB-O 3.45Å |
| 167 | Y | 94.7 | Very high | 91.6 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 46% | 0.459 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 32.7 | 176.6 | -52.9 | -80.1 | 0 | 0 | 0 | 113.8 | L142 E192 | L142-Y167 VanDerWaalsContact CD2-CB 3.44Å; L142-Y167 HydrophobicContact CD2-CG 4.15Å; Y167-E192 HydrophobicContact CE1-CG 4.2Å; Y167-E192 HydrophobicContact CE2-CG 4.01Å; Y167-E192 PolarHBondContact N-O 3.1Å; Y167-E192 WeakPolarHBondContact OH-CG 2.99Å; Y167-E192 PolarHBondContact OH-OE2 3.46Å |
| 168 | N | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -102.2 | 157.5 | 169.8 | -70.3 | -34.5 | 0 | 0 | 0 | 111.4 | M140 L142 L143 I147 L165 A166 F170 V194 | M140-N168 PolarHBondContact O-ND2 3.46Å; L142-N168 PolarHBondContact N-OD1 3.06Å; L143-N168 WeakPolarHBondContact CB-OD1 3.48Å; L143-N168 PolarHBondContact N-OD1 3.27Å; I147-N168 HydrophobicContact CD1-CB 3.72Å; L165-N168 WeakPolarHBondContact CA-ND2 3.32Å; L165-N168 WeakPolarHBondContact O-CB 3.25Å; L165-N168 PolarHBondContact O-ND2 2.88Å; A166-N168 PolarHBondContact O-N 2.81Å; N168-F170 HydrophobicContact CB-CE2 3.9Å; N168-F170 HydrophobicContact CB-CZ 4.13Å; N168-V194 WeakPolarHBondContact O-CA 3.26Å | ||
| 169 | I | 92.2 | Very high | 91.6 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 33% | 0.328 | 20% | 0.202 | S | C | . | . | trans | -125.6 | 110.5 | 173.9 | -57.4 | 175.5 | 0 | 0 | 0 | 107.9 | S145 K146 I147 | S145-I169 WeakPolarHBondContact O-CB 3.4Å; S145-I169 VanDerWaalsContact O-CG2 3.3Å; S145-I169 WeakPolarHBondContact O-CG2 3.44Å; K146-I169 CarbonylContact C-O 3.6Å; K146-I169 WeakPolarHBondContact CA-O 2.89Å; I147-I169 PolarHBondContact N-O 2.99Å | ||
| 170 | F | 90.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.2 | 179.4 | -65.2 | -82.3 | 0 | 0 | 0 | 110.5 | I147 T149 L165 N168 L173 V194 W196 | I147-F170 HydrophobicContact CB-CD1 4Å; I147-F170 HydrophobicContact CB-CE1 4.29Å; I147-F170 HydrophobicContact CD1-CD1 4.47Å; I147-F170 HydrophobicContact CD1-CE1 4.1Å; I147-F170 HydrophobicContact CD1-CZ 4.41Å; I147-F170 HydrophobicContact CG2-CD1 4.17Å; I147-F170 HydrophobicContact CG2-CE1 4.17Å; T149-F170 HydrophobicContact CG2-CD1 4.27Å; T149-F170 HydrophobicContact CG2-CE1 4.39Å; L165-F170 HydrophobicContact CB-CE2 4.49Å; L165-F170 HydrophobicContact CB-CZ 4.37Å; L165-F170 HydrophobicContact CD1-CZ 4.12Å; L165-F170 HydrophobicContact CD2-CZ 4.27Å; L165-F170 HydrophobicContact CG-CZ 4.49Å; N168-F170 HydrophobicContact CB-CE2 3.9Å; N168-F170 HydrophobicContact CB-CZ 4.13Å; F170-L173 HydrophobicContact CB-CB 4.16Å; F170-L173 HydrophobicContact CD1-CD1 4.49Å; F170-L173 HydrophobicContact CG-CB 4.35Å; F170-V194 HydrophobicContact CD2-CG1 4Å; F170-V194 HydrophobicContact CE2-CG1 4.23Å; F170-W196 HydrophobicContact CB-CZ3 4.39Å; F170-W196 AromaticContact CD2-CH2 3.86Å; F170-W196 HydrophobicContact CD2-CH2 3.86Å; F170-W196 HydrophobicContact CD2-CZ3 4.07Å; F170-W196 HydrophobicContact CE2-CH2 4.37Å |
| 171 | A | 84.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -47.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K146 I147 Y148 | K146-A171 HydrophobicContact CD-CB 4.1Å; K146-A171 HydrophobicContact CG-CB 3.61Å; I147-A171 WeakPolarHBondContact O-CB 3.35Å; I147-A171 PolarHBondContact O-N 2.77Å; Y148-A171 HydrophobicContact CD1-CB 3.57Å; Y148-A171 HydrophobicContact CD2-CB 4.27Å; Y148-A171 HydrophobicContact CE1-CB 3.41Å; Y148-A171 VanDerWaalsContact CE1-CB 3.41Å; Y148-A171 HydrophobicContact CE2-CB 4.15Å; Y148-A171 HydrophobicContact CG-CB 4.02Å |
| 172 | N | 78.6 | Confident | 90.7 | Very high | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 117.4 | 173.2 | 64.7 | -35.7 | 0 | 0 | 0 | 106.3 | Y148 T149 M174 | Y148-N172 WeakPolarHBondContact CA-OD1 3.08Å; Y148-N172 WeakPolarHBondContact CD1-OD1 3.44Å; T149-N172 PolarHBondContact N-OD1 3.38Å; T149-N172 VanDerWaalsContact N-OD1 3.1Å; T149-N172 PolarHBondContact O-ND2 2.9Å; T149-N172 PolarHBondContact OG1-O 2.89Å; N172-M174 HydrophobicContact CB-CG 4.37Å |
| 173 | L | 85.4 | Confident | 90.4 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | trans | -111.8 | 101.4 | 157.3 | -174.8 | 66.6 | 0 | 0 | 0 | 104.4 | F170 A177 L178 W196 W204 F205 | F170-L173 HydrophobicContact CB-CB 4.16Å; F170-L173 HydrophobicContact CD1-CD1 4.49Å; F170-L173 HydrophobicContact CG-CB 4.35Å; L173-A177 HydrophobicContact CD1-CB 4.25Å; L173-L178 HydrophobicContact CD1-CD2 4.1Å; L173-L178 HydrophobicContact CD1-CG 4.41Å; L173-W196 HydrophobicContact CB-CZ3 4.31Å; L173-W196 HydrophobicContact CD2-CH2 3.63Å; L173-W196 HydrophobicContact CD2-CZ3 3.99Å; L173-W204 HydrophobicContact CD2-CH2 4.35Å; L173-W204 HydrophobicContact CG-CH2 4.12Å; L173-W204 HydrophobicContact CG-CZ2 4.12Å; L173-W204 VanDerWaalsContact O-CZ2 3.27Å; L173-W204 WeakPolarHBondContact O-CZ2 3.32Å; L173-F205 HydrophobicContact CD2-CD2 4.26Å; L173-F205 HydrophobicContact CD2-CE2 4.09Å; L173-F205 HydrophobicContact CD2-CZ 4.34Å | ||
| 174 | M | 82.4 | Confident | 90.2 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | trans | -90 | 157.5 | 178.5 | -67.5 | 178.4 | 60.8 | 0 | 0 | 109.6 | N172 D176 A177 | N172-M174 HydrophobicContact CB-CG 4.37Å; M174-D176 WeakPolarHBondContact CB-OD1 3.24Å; M174-D176 PolarHBondContact O-N 3.21Å; M174-A177 WeakPolarHBondContact O-CB 3.37Å; M174-A177 PolarHBondContact O-N 2.7Å; M174-A177 VanDerWaalsContact O-N 3.15Å | ||
| 175 | E | 86.3 | Confident | 90 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -57.5 | -40.6 | -177.8 | -178.1 | 173.1 | -172.7 | 0 | 0 | 112.3 | A177 L178 W204 | E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.83Å; E175-L178 PolarHBondContact O-N 2.81Å; E175-W204 HydrophobicContact CB-CD2 3.61Å; E175-W204 HydrophobicContact CB-CE3 3.72Å; E175-W204 HydrophobicContact CB-CG 3.95Å; E175-W204 HydrophobicContact CB-CZ3 4.25Å; E175-W204 HydrophobicContact CG-CB 4.48Å; E175-W204 HydrophobicContact CG-CD2 4Å; E175-W204 HydrophobicContact CG-CE3 3.68Å; E175-W204 HydrophobicContact CG-CG 4.35Å; E175-W204 HydrophobicContact CG-CZ3 4.29Å |
| 176 | D | 89 | Confident | 90 | Very high | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -68.8 | -24.1 | -179.9 | 55.4 | 4.3 | 0 | 0 | 0 | 113.8 | P151 D152 M174 L178 N179 | P151-D176 HydrophobicContact CB-CB 4.15Å; P151-D176 VanDerWaalsContact CB-OD2 3.31Å; P151-D176 WeakPolarHBondContact CB-OD2 3.34Å; P151-D176 WeakPolarHBondContact CG-OD2 3.48Å; D152-D176 WeakPolarHBondContact CA-O 3.32Å; D152-D176 PolarHBondContact N-O 2.72Å; M174-D176 WeakPolarHBondContact CB-OD1 3.24Å; M174-D176 PolarHBondContact O-N 3.21Å; D176-L178 PolarHBondContact O-N 3Å; D176-N179 WeakPolarHBondContact CA-ND2 3.39Å; D176-N179 WeakPolarHBondContact O-CB 3.17Å; D176-N179 VanDerWaalsContact O-CG 3.24Å; D176-N179 PolarHBondContact O-N 3.26Å; D176-N179 PolarHBondContact O-ND2 2.74Å |
| 177 | A | 92 | Very high | 90 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.8 | -32.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T149 T153 F154 L173 M174 E175 N179 | T149-A177 WeakPolarHBondContact OG1-CB 3.39Å; T153-A177 PolarHBondContact N-O 2.78Å; F154-A177 WeakPolarHBondContact CD2-O 3.36Å; F154-A177 PolarHBondContact N-O 3.15Å; F154-A177 VanDerWaalsContact N-O 3.14Å; L173-A177 HydrophobicContact CD1-CB 4.25Å; M174-A177 WeakPolarHBondContact O-CB 3.37Å; M174-A177 PolarHBondContact O-N 2.7Å; M174-A177 VanDerWaalsContact O-N 3.15Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.83Å; A177-N179 VanDerWaalsContact C-N 3.34Å |
| 178 | L | 92.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -89.8 | 6.5 | 177.6 | -57.2 | -171.1 | 0 | 0 | 0 | 113.2 | F154 L173 E175 D176 L181 W204 F205 W208 | F154-L178 HydrophobicContact CD2-CD2 3.67Å; F154-L178 HydrophobicContact CE2-CD2 3.86Å; L173-L178 HydrophobicContact CD1-CD2 4.1Å; L173-L178 HydrophobicContact CD1-CG 4.41Å; E175-L178 PolarHBondContact O-N 2.81Å; D176-L178 PolarHBondContact O-N 3Å; L178-L181 HydrophobicContact CB-CD1 4.37Å; L178-L181 HydrophobicContact CD2-CD1 4.02Å; L178-L181 WeakPolarHBondContact O-CB 3.36Å; L178-L181 PolarHBondContact O-N 2.84Å; L178-W204 HydrophobicContact CD1-CH2 3.77Å; L178-W204 HydrophobicContact CD1-CZ3 3.85Å; L178-W204 HydrophobicContact CG-CH2 4.13Å; L178-W204 HydrophobicContact CG-CZ3 4.38Å; L178-F205 HydrophobicContact CD1-CD2 4Å; L178-F205 HydrophobicContact CD1-CE2 3.83Å; L178-W208 HydrophobicContact CD1-CD2 4.23Å; L178-W208 HydrophobicContact CD1-CZ2 4.34Å |
| 179 | N | 89.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 144.5 | 173.4 | -77.8 | -20.8 | 0 | 0 | 0 | 110.9 | D152 F154 D155 D176 A177 L181 | D152-N179 WeakPolarHBondContact OD1-CB 3.37Å; D152-N179 PolarHBondContact OD1-ND2 2.8Å; F154-N179 CarbonylContact C-O 3.54Å; D155-N179 WeakPolarHBondContact CA-O 3.47Å; D155-N179 PolarHBondContact N-O 3.03Å; D176-N179 WeakPolarHBondContact CA-ND2 3.39Å; D176-N179 WeakPolarHBondContact O-CB 3.17Å; D176-N179 VanDerWaalsContact O-CG 3.24Å; D176-N179 PolarHBondContact O-N 3.26Å; D176-N179 PolarHBondContact O-ND2 2.74Å; A177-N179 VanDerWaalsContact C-N 3.34Å; N179-L181 PolarHBondContact O-N 3.42Å |
| 180 | G | 85.7 | Confident | 90.4 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -24.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 181 | L | 92.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | trans | -75.8 | 134.9 | 171 | -59.2 | -179.2 | 0 | 0 | 0 | 110.7 | F154 L157 L160 L163 L178 N179 P183 F186 W208 | F154-L181 HydrophobicContact CB-CD1 3.77Å; F154-L181 HydrophobicContact CB-CD2 3.94Å; F154-L181 HydrophobicContact CB-CG 3.7Å; F154-L181 HydrophobicContact CD2-CD1 4.09Å; F154-L181 HydrophobicContact CG-CD1 3.96Å; F154-L181 HydrophobicContact CG-CG 4.42Å; L157-L181 HydrophobicContact CB-CD2 4.12Å; L160-L181 HydrophobicContact CB-CD2 4.41Å; L160-L181 HydrophobicContact CD2-CD2 3.78Å; L163-L181 HydrophobicContact CD2-CD1 4.45Å; L178-L181 HydrophobicContact CB-CD1 4.37Å; L178-L181 HydrophobicContact CD2-CD1 4.02Å; L178-L181 WeakPolarHBondContact O-CB 3.36Å; L178-L181 PolarHBondContact O-N 2.84Å; N179-L181 PolarHBondContact O-N 3.42Å; L181-P183 WeakPolarHBondContact O-CD 3.39Å; L181-F186 HydrophobicContact CB-CE2 4.22Å; L181-F186 HydrophobicContact CB-CZ 4.41Å; L181-F186 HydrophobicContact CD1-CZ 4.28Å; L181-F186 HydrophobicContact CD2-CZ 4.35Å; L181-W208 HydrophobicContact CB-CZ2 4.46Å | ||
| 182 | R | 90.4 | Very high | 91 | Very high | 131 Ų | 131 | 44.9 Ų | 44.9 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | trans | -106.9 | 97.6 | 177.8 | -61.3 | -176.1 | -169.4 | -173.1 | 4.5 | 109.3 | E184 H185 F186 | R182-E184 PolarHBondContact O-N 3.21Å; R182-E184 VanDerWaalsContact O-N 3.1Å; R182-H185 HydrophobicContact CB-CB 4.33Å; R182-H185 PolarHBondContact O-N 2.84Å; R182-F186 WeakPolarHBondContact O-CD2 3.22Å | ||
| 183 | P | 92.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -55.4 | -32.2 | -174.9 | 18.3 | -28.4 | 0 | 0 | 0 | 112.7 | L181 H185 F186 W208 R211 L212 P213 | L181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-H185 PolarHBondContact O-N 2.88Å; P183-H185 VanDerWaalsContact O-N 3.14Å; P183-F186 PolarHBondContact O-N 3.11Å; P183-W208 HydrophobicContact CB-CD2 4.14Å; P183-W208 HydrophobicContact CB-CH2 4.2Å; P183-W208 HydrophobicContact CB-CZ2 3.79Å; P183-W208 HydrophobicContact CG-CD2 4.44Å; P183-W208 HydrophobicContact CG-CZ2 4.35Å; P183-R211 HydrophobicContact CB-CB 3.93Å; P183-R211 HydrophobicContact CG-CB 3.77Å; P183-L212 HydrophobicContact CB-CD2 3.93Å; P183-L212 HydrophobicContact CB-CG 4.44Å; P183-L212 WeakPolarHBondContact O-CD2 3.22Å; P183-P213 VanDerWaalsContact O-CD 3.31Å; P183-P213 WeakPolarHBondContact O-CD 3.21Å |
| 184 | E | 92.8 | Very high | 92.1 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -64.4 | -19.6 | -179.8 | -53.1 | 77.8 | -166.5 | 0 | 0 | 113.1 | R182 P213 | R182-E184 PolarHBondContact O-N 3.21Å; R182-E184 VanDerWaalsContact O-N 3.1Å; E184-P213 WeakPolarHBondContact O-CG 3.16Å |
| 185 | H | 92 | Very high | 92.5 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -95.3 | -5 | -179.4 | -67.6 | -178.9 | 0 | 0 | 0 | 113.8 | H161 R182 P183 | H161-H185 WeakPolarHBondContact CB-O 3.47Å; R182-H185 HydrophobicContact CB-CB 4.33Å; R182-H185 PolarHBondContact O-N 2.84Å; P183-H185 PolarHBondContact O-N 2.88Å; P183-H185 VanDerWaalsContact O-N 3.14Å |
| 186 | F | 95.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | trans | -69.4 | 138.3 | -178.1 | -84.1 | -105.5 | 0 | 0 | 0 | 111.8 | L163 L181 R182 P183 L189 W208 L212 P213 A216 | L163-F186 HydrophobicContact CB-CE1 3.67Å; L163-F186 HydrophobicContact CD2-CE1 4.21Å; L163-F186 HydrophobicContact CD2-CZ 4.46Å; L181-F186 HydrophobicContact CB-CE2 4.22Å; L181-F186 HydrophobicContact CB-CZ 4.41Å; L181-F186 HydrophobicContact CD1-CZ 4.28Å; L181-F186 HydrophobicContact CD2-CZ 4.35Å; R182-F186 WeakPolarHBondContact O-CD2 3.22Å; P183-F186 PolarHBondContact O-N 3.11Å; F186-L189 HydrophobicContact CD1-CB 4.33Å; F186-W208 HydrophobicContact CE2-CH2 4.28Å; F186-W208 HydrophobicContact CE2-CZ2 4.28Å; F186-W208 HydrophobicContact CZ-CH2 4.41Å; F186-L212 HydrophobicContact CB-CD2 3.72Å; F186-L212 HydrophobicContact CD2-CD2 4.28Å; F186-L212 HydrophobicContact CG-CD2 3.99Å; F186-P213 WeakPolarHBondContact O-CG 3.48Å; F186-A216 HydrophobicContact CB-CB 4.07Å; F186-A216 WeakPolarHBondContact O-CB 3.39Å | ||
| 187 | S | 95.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -105.9 | -21.8 | 170.6 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | H161 A216 | H161-S187 PolarHBondContact CD2-OG 3.38Å; H161-S187 VanDerWaalsContact CD2-OG 3.26Å; H161-S187 PolarHBondContact O-N 3.45Å; H161-S187 PolarHBondContact O-OG 3.1Å; S187-A216 WeakPolarHBondContact O-CA 3.23Å |
| 188 | Y | 96.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 126.9 | -178.1 | -175.5 | -88.5 | 0 | 0 | 0 | 110.5 | H161 H162 L163 N164 N190 A216 Y218 | H161-Y188 PolarHBondContact O-N 2.84Å; H162-Y188 WeakPolarHBondContact CA-O 3.37Å; H162-Y188 AromaticContact CD2-CD1 3.47Å; H162-Y188 VanDerWaalsContact CD2-CD1 3.47Å; H162-Y188 WeakPolarHBondContact CD2-CD1 3.39Å; H162-Y188 AromaticContact CE1-CD1 3.2Å; H162-Y188 WeakPolarHBondContact CE1-CD1 3.15Å; H162-Y188 AromaticContact CE1-CD2 3.82Å; H162-Y188 AromaticContact CE1-CE1 3.7Å; H162-Y188 AromaticContact CE1-CG 3.23Å; H162-Y188 AromaticContact CG-CD1 3.87Å; H162-Y188 VanDerWaalsContact ND1-CB 3.29Å; H162-Y188 WeakPolarHBondContact ND1-CB 3.31Å; H162-Y188 AromaticContact ND1-CD1 3.73Å; H162-Y188 AromaticContact ND1-CG 3.56Å; H162-Y188 AromaticContact NE2-CD1 3.04Å; H162-Y188 WeakPolarHBondContact NE2-CD1 3.29Å; H162-Y188 AromaticContact NE2-CE1 3.3Å; H162-Y188 VanDerWaalsContact NE2-CE1 3.3Å; H162-Y188 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y188 AromaticContact NE2-CG 3.63Å; L163-Y188 PolarHBondContact N-O 3.2Å; N164-Y188 HydrophobicContact CB-CE1 4.46Å; Y188-N190 HydrophobicContact CE1-CB 3.56Å; Y188-A216 CarbonylContact C-O 3.58Å; Y188-A216 VanDerWaalsContact C-O 3.32Å; Y188-A216 WeakPolarHBondContact CA-O 3.43Å; Y188-Y218 AromaticContact CE2-CD2 3.84Å; Y188-Y218 HydrophobicContact CE2-CD2 3.84Å; Y188-Y218 HydrophobicContact CE2-CG 4.4Å |
| 189 | L | 96.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 118.4 | 171.2 | 178 | 65.8 | 0 | 0 | 0 | 108.7 | L163 F186 L191 W208 L209 L212 A216 L217 Y218 | L163-L189 HydrophobicContact CB-CD1 4.04Å; L163-L189 HydrophobicContact CD2-CD1 4.05Å; L163-L189 HydrophobicContact CG-CD1 4.13Å; L163-L189 CarbonylContact O-C 3.42Å; L163-L189 VanDerWaalsContact O-CA 3.29Å; L163-L189 WeakPolarHBondContact O-CA 3.37Å; F186-L189 HydrophobicContact CD1-CB 4.33Å; L189-L191 HydrophobicContact CD1-CG 4.42Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CD2-CG 4.3Å; L189-L191 HydrophobicContact CG-CD1 4.2Å; L189-L191 HydrophobicContact CG-CG 4.1Å; L189-W208 HydrophobicContact CD2-CH2 4.16Å; L189-W208 HydrophobicContact CD2-CZ3 3.66Å; L189-L209 HydrophobicContact CD2-CD2 3.84Å; L189-L212 HydrophobicContact CD2-CD1 3.57Å; L189-L212 HydrophobicContact CD2-CD2 4.42Å; L189-A216 PolarHBondContact N-O 3.26Å; L189-L217 HydrophobicContact CD2-CD1 4.29Å; L189-Y218 WeakPolarHBondContact O-CB 3.36Å; L189-Y218 PolarHBondContact O-N 2.89Å |
| 190 | N | 96.1 | Very high | 93 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.9 | 175.3 | -170.8 | 8.7 | 0 | 0 | 0 | 111.6 | L163 N164 L165 A166 Y188 E192 Y218 | L163-N190 PolarHBondContact O-N 3.12Å; N164-N190 HydrophobicContact CB-CB 4.31Å; N164-N190 WeakPolarHBondContact OD1-CB 3.43Å; N164-N190 PolarHBondContact OD1-ND2 2.72Å; L165-N190 PolarHBondContact N-O 2.84Å; A166-N190 PolarHBondContact N-O 3.3Å; Y188-N190 HydrophobicContact CE1-CB 3.56Å; N190-E192 WeakPolarHBondContact OD1-CB 3.27Å; N190-E192 PolarHBondContact OD1-N 3.18Å; N190-Y218 HydrophobicContact CB-CG 4.4Å; N190-Y218 VanDerWaalsContact OD1-CD1 3.23Å; N190-Y218 WeakPolarHBondContact OD1-CD1 3.47Å |
| 191 | L | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -125.7 | 19.6 | 178.4 | -64.7 | 169.3 | 0 | 0 | 0 | 111.3 | L165 L189 G193 V194 W196 F205 L209 L217 G225 | L165-L191 HydrophobicContact CB-CD2 4.11Å; L165-L191 HydrophobicContact CD1-CD2 4.22Å; L189-L191 HydrophobicContact CD1-CG 4.42Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CD2-CG 4.3Å; L189-L191 HydrophobicContact CG-CD1 4.2Å; L189-L191 HydrophobicContact CG-CG 4.1Å; L191-G193 PolarHBondContact O-N 3.14Å; L191-V194 HydrophobicContact CB-CG2 4.37Å; L191-V194 HydrophobicContact CD2-CG2 4.33Å; L191-V194 WeakPolarHBondContact O-CG2 3.38Å; L191-V194 PolarHBondContact O-N 3.23Å; L191-W196 HydrophobicContact CD2-CZ2 4.36Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CZ 3.74Å; L191-F205 HydrophobicContact CD2-CZ 4.42Å; L191-L209 HydrophobicContact CD1-CD2 3.83Å; L191-L217 HydrophobicContact CD1-CD1 4.44Å; L191-G225 WeakPolarHBondContact O-CA 3.29Å | ||
| 192 | E | 93.6 | Very high | 93.1 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 135.3 | 176.5 | 172.7 | 161.7 | -114.7 | 0 | 0 | 111.2 | A166 Y167 N190 V194 Y218 N220 | A166-E192 CarbonylContact C-O 3.44Å; A166-E192 WeakPolarHBondContact CA-O 3.37Å; A166-E192 HydrophobicContact CB-CB 4.15Å; A166-E192 WeakPolarHBondContact CB-O 3.45Å; Y167-E192 HydrophobicContact CE1-CG 4.2Å; Y167-E192 HydrophobicContact CE2-CG 4.01Å; Y167-E192 PolarHBondContact N-O 3.1Å; Y167-E192 WeakPolarHBondContact OH-CG 2.99Å; Y167-E192 PolarHBondContact OH-OE2 3.46Å; N190-E192 WeakPolarHBondContact OD1-CB 3.27Å; N190-E192 PolarHBondContact OD1-N 3.18Å; E192-V194 PolarHBondContact O-N 2.96Å; E192-V194 VanDerWaalsContact O-N 3.08Å; E192-Y218 HydrophobicContact CB-CD1 4.49Å; E192-Y218 HydrophobicContact CB-CE1 4.49Å; E192-N220 VanDerWaalsContact CB-ND2 3.27Å; E192-N220 WeakPolarHBondContact CB-ND2 3.3Å; E192-N220 VanDerWaalsContact CD-ND2 3.29Å; E192-N220 WeakPolarHBondContact CG-ND2 3.04Å; E192-N220 PolarHBondContact OE1-ND2 3.35Å |
| 193 | G | 92.5 | Very high | 93.1 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | -2.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | L191 K195 | L191-G193 PolarHBondContact O-N 3.14Å; G193-K195 PolarHBondContact O-N 2.98Å |
| 194 | V | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -71.7 | 129.2 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | L165 N168 F170 L191 E192 W196 E226 | L165-V194 WeakPolarHBondContact O-CG2 3.36Å; N168-V194 WeakPolarHBondContact O-CA 3.26Å; F170-V194 HydrophobicContact CD2-CG1 4Å; F170-V194 HydrophobicContact CE2-CG1 4.23Å; L191-V194 HydrophobicContact CB-CG2 4.37Å; L191-V194 HydrophobicContact CD2-CG2 4.33Å; L191-V194 WeakPolarHBondContact O-CG2 3.38Å; L191-V194 PolarHBondContact O-N 3.23Å; E192-V194 PolarHBondContact O-N 2.96Å; E192-V194 VanDerWaalsContact O-N 3.08Å; V194-W196 HydrophobicContact CB-CZ2 4.1Å; V194-W196 HydrophobicContact CG1-CD2 3.99Å; V194-W196 VanDerWaalsContact CG1-CE2 3.47Å; V194-W196 HydrophobicContact CG1-CE3 4.26Å; V194-W196 HydrophobicContact CG1-CH2 3.59Å; V194-W196 HydrophobicContact CG1-CZ2 3.27Å; V194-W196 HydrophobicContact CG1-CZ3 4.08Å; V194-E226 PolarHBondContact O-N 3.47Å | ||
| 195 | K | 92.3 | Very high | 93 | Very high | 107 Ų | 107 | 36.8 Ų | 36.8 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.8 | -174.9 | -70.4 | 176 | 178.1 | -178.3 | 0 | 110.3 | G193 E226 V228 | G193-K195 PolarHBondContact O-N 2.98Å; K195-E226 CarbonylContact C-O 3.5Å; K195-E226 WeakPolarHBondContact CA-O 3.29Å; K195-V228 HydrophobicContact CB-CG1 3.69Å; K195-V228 HydrophobicContact CB-CG2 4.28Å; K195-V228 HydrophobicContact CD-CG1 3.94Å; K195-V228 HydrophobicContact CG-CG1 3.72Å |
| 196 | W | 93.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.5 | -174.5 | -59.7 | 120 | 0 | 0 | 0 | 112.5 | F170 L173 L191 V194 C198 I202 F205 G224 E226 C227 V228 | F170-W196 HydrophobicContact CB-CZ3 4.39Å; F170-W196 AromaticContact CD2-CH2 3.86Å; F170-W196 HydrophobicContact CD2-CH2 3.86Å; F170-W196 HydrophobicContact CD2-CZ3 4.07Å; F170-W196 HydrophobicContact CE2-CH2 4.37Å; L173-W196 HydrophobicContact CB-CZ3 4.31Å; L173-W196 HydrophobicContact CD2-CH2 3.63Å; L173-W196 HydrophobicContact CD2-CZ3 3.99Å; L191-W196 HydrophobicContact CD2-CZ2 4.36Å; V194-W196 HydrophobicContact CB-CZ2 4.1Å; V194-W196 HydrophobicContact CG1-CD2 3.99Å; V194-W196 VanDerWaalsContact CG1-CE2 3.47Å; V194-W196 HydrophobicContact CG1-CE3 4.26Å; V194-W196 HydrophobicContact CG1-CH2 3.59Å; V194-W196 HydrophobicContact CG1-CZ2 3.27Å; V194-W196 HydrophobicContact CG1-CZ3 4.08Å; W196-C198 PolarHBondContact O-N 2.83Å; W196-I202 HydrophobicContact CB-CD1 3.53Å; W196-I202 HydrophobicContact CD2-CD1 3.67Å; W196-I202 HydrophobicContact CE3-CD1 3.8Å; W196-I202 HydrophobicContact CG-CD1 3.58Å; W196-F205 AromaticContact CE2-CE1 3.88Å; W196-F205 HydrophobicContact CH2-CD1 4.4Å; W196-F205 AromaticContact CH2-CE1 3.86Å; W196-F205 HydrophobicContact CH2-CE1 3.86Å; W196-F205 HydrophobicContact CH2-CZ 4.26Å; W196-F205 HydrophobicContact CZ2-CD1 4.15Å; W196-F205 AromaticContact CZ2-CE1 3.37Å; W196-F205 HydrophobicContact CZ2-CE1 3.37Å; W196-F205 AromaticContact CZ2-CZ 3.95Å; W196-F205 HydrophobicContact CZ2-CZ 3.95Å; W196-G224 PolarHBondContact NE1-O 2.84Å; W196-E226 PolarHBondContact N-O 3.5Å; W196-C227 CarbonylContact O-C 3.39Å; W196-C227 WeakPolarHBondContact O-CA 3.42Å; W196-V228 VanDerWaalsContact O-CG2 3.27Å; W196-V228 WeakPolarHBondContact O-CG2 3.31Å; W196-V228 PolarHBondContact O-N 3.38Å |
| 197 | T | 93.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 45% | 0.454 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 104.8 | 155.1 | -58.1 | 0 | 0 | 0 | 0 | 107.3 | D199 S229 | T197-D199 HydrophobicContact CG2-CB 4.13Å; T197-D199 PolarHBondContact O-N 2.87Å; T197-D199 VanDerWaalsContact O-N 3.11Å; T197-S229 CarbonylContact C-O 3.57Å |
| 198 | C | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -86.9 | 54.2 | -178.4 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | W196 I202 C227 S229 P230 Y233 L241 L246 | W196-C198 PolarHBondContact O-N 2.83Å; C198-I202 HydrophobicContact CB-CG2 4.45Å; C198-C227 HydrophobicContact CB-CB 3.71Å; C198-C227 WeakPolarHBondContact CB-SG 3.34Å; C198-C227 WeakPolarHBondContact SG-CA 3.45Å; C198-C227 WeakPolarHBondContact SG-CB 3.17Å; C198-C227 CovalentContact SG-SG 2.02Å; C198-C227 PolarHBondContact SG-SG 2.84Å; C198-S229 PolarHBondContact N-O 3.41Å; C198-P230 WeakPolarHBondContact O-CD 3.44Å; C198-Y233 HydrophobicContact CB-CD2 4.1Å; C198-Y233 VanDerWaalsContact O-CD2 3.32Å; C198-Y233 WeakPolarHBondContact O-CD2 3.14Å; C198-L241 HydrophobicContact CB-CD1 3.69Å; C198-L246 HydrophobicContact CB-CD2 4.2Å; C198-L246 VanDerWaalsContact O-CD2 3.25Å; C198-L246 WeakPolarHBondContact O-CD2 3.19Å | ||
| 199 | D | 90.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -89.1 | -158.2 | 172.2 | 69.7 | -1.3 | 0 | 0 | 0 | 110.5 | T197 H201 I202 L246 | T197-D199 HydrophobicContact CG2-CB 4.13Å; T197-D199 PolarHBondContact O-N 2.87Å; T197-D199 VanDerWaalsContact O-N 3.11Å; D199-H201 WeakPolarHBondContact OD1-CB 3.27Å; D199-H201 IonicContact OD1-CG 2.96Å; D199-H201 PolarHBondContact OD1-N 3.46Å; D199-H201 IonicContact OD1-ND1 3.34Å; D199-H201 IonicContact OD2-CE1 3.81Å; D199-H201 IonicContact OD2-CG 3.73Å; D199-H201 IonicContact OD2-ND1 3.17Å; D199-H201 PolarHBondContact OD2-ND1 3.35Å; D199-I202 WeakPolarHBondContact O-CG2 3.38Å; D199-L246 VanDerWaalsContact O-CD2 3.26Å; D199-L246 WeakPolarHBondContact O-CD2 3.16Å |
| 200 | C | 89 | Confident | 92.5 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -78.9 | -19.7 | 179.4 | 70.8 | 0 | 0 | 0 | 0 | 114.9 | I202 L203 L246 Q247 C248 | C200-I202 VanDerWaalsContact C-N 3.25Å; C200-I202 PolarHBondContact O-N 3.5Å; C200-L203 VanDerWaalsContact O-CB 3.24Å; C200-L203 WeakPolarHBondContact O-CB 3.33Å; C200-L203 PolarHBondContact O-N 3.49Å; C200-L246 WeakPolarHBondContact CA-O 3.4Å; C200-L246 WeakPolarHBondContact CB-O 3.41Å; C200-Q247 WeakPolarHBondContact CB-O 3.5Å; C200-C248 VanDerWaalsContact CB-CA 3.45Å; C200-C248 HydrophobicContact CB-CB 3.69Å; C200-C248 VanDerWaalsContact CB-N 3.25Å; C200-C248 WeakPolarHBondContact CB-SG 3.13Å; C200-C248 WeakPolarHBondContact SG-CA 3.44Å; C200-C248 WeakPolarHBondContact SG-CB 3.22Å; C200-C248 CovalentContact SG-SG 2.03Å; C200-C248 PolarHBondContact SG-SG 2.84Å |
| 201 | H | 87.2 | Confident | 92.4 | Very high | 131 Ų | 131 | 40 Ų | 40 | 61% | 0.606 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -74.2 | -16 | -179.5 | -55.5 | 101.8 | 0 | 0 | 0 | 112.7 | D199 L203 W204 | D199-H201 WeakPolarHBondContact OD1-CB 3.27Å; D199-H201 IonicContact OD1-CG 2.96Å; D199-H201 PolarHBondContact OD1-N 3.46Å; D199-H201 IonicContact OD1-ND1 3.34Å; D199-H201 IonicContact OD2-CE1 3.81Å; D199-H201 IonicContact OD2-CG 3.73Å; D199-H201 IonicContact OD2-ND1 3.17Å; D199-H201 PolarHBondContact OD2-ND1 3.35Å; H201-L203 VanDerWaalsContact C-N 3.34Å; H201-W204 PolarHBondContact O-NE1 3.44Å |
| 202 | I | 91.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -86.4 | -3.7 | 173.7 | -158.8 | 160.7 | 0 | 0 | 0 | 113.4 | W196 C198 D199 C200 W204 F205 R206 L238 L246 | W196-I202 HydrophobicContact CB-CD1 3.53Å; W196-I202 HydrophobicContact CD2-CD1 3.67Å; W196-I202 HydrophobicContact CE3-CD1 3.8Å; W196-I202 HydrophobicContact CG-CD1 3.58Å; C198-I202 HydrophobicContact CB-CG2 4.45Å; D199-I202 WeakPolarHBondContact O-CG2 3.38Å; C200-I202 VanDerWaalsContact C-N 3.25Å; C200-I202 PolarHBondContact O-N 3.5Å; I202-W204 VanDerWaalsContact C-N 3.28Å; I202-W204 PolarHBondContact O-N 2.89Å; I202-F205 HydrophobicContact CD1-CD1 4.38Å; I202-F205 HydrophobicContact CG1-CB 3.96Å; I202-F205 HydrophobicContact CG1-CD1 4.22Å; I202-F205 PolarHBondContact O-N 2.82Å; I202-R206 PolarHBondContact O-N 3.24Å; I202-L238 HydrophobicContact CD1-CD1 4.27Å; I202-L238 HydrophobicContact CD1-CD2 3.8Å; I202-L238 HydrophobicContact CG1-CD1 4.45Å; I202-L238 HydrophobicContact CG1-CD2 4.11Å; I202-L238 HydrophobicContact CG2-CD1 4.14Å; I202-L246 HydrophobicContact CG2-CD1 4.31Å; I202-L246 HydrophobicContact CG2-CD2 4Å |
| 203 | L | 90.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.6 | -44.8 | -175.6 | 178.9 | 61.8 | 0 | 0 | 0 | 112.2 | C200 H201 F205 R206 Q207 L243 L246 Q247 E300 | C200-L203 VanDerWaalsContact O-CB 3.24Å; C200-L203 WeakPolarHBondContact O-CB 3.33Å; C200-L203 PolarHBondContact O-N 3.49Å; H201-L203 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 3.08Å; L203-R206 WeakPolarHBondContact O-CB 3.42Å; L203-R206 PolarHBondContact O-N 2.75Å; L203-Q207 HydrophobicContact CD1-CG 4.39Å; L203-Q207 WeakPolarHBondContact O-CG 3.43Å; L203-Q207 PolarHBondContact O-N 3.21Å; L203-L243 HydrophobicContact CD1-CB 4.21Å; L203-L243 HydrophobicContact CD1-CD2 3.83Å; L203-L246 HydrophobicContact CB-CB 4.35Å; L203-L246 WeakPolarHBondContact CB-O 3.16Å; L203-L246 HydrophobicContact CD1-CB 3.98Å; L203-Q247 HydrophobicContact CD2-CG 4.2Å; L203-E300 HydrophobicContact CD2-CB 4.08Å |
| 204 | W | 90 | Very high | 92.2 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.3 | -40.9 | 177.6 | 75.1 | -96.2 | 0 | 0 | 0 | 111.2 | L173 E175 L178 H201 I202 Q207 W208 | L173-W204 HydrophobicContact CD2-CH2 4.35Å; L173-W204 HydrophobicContact CG-CH2 4.12Å; L173-W204 HydrophobicContact CG-CZ2 4.12Å; L173-W204 VanDerWaalsContact O-CZ2 3.27Å; L173-W204 WeakPolarHBondContact O-CZ2 3.32Å; E175-W204 HydrophobicContact CB-CD2 3.61Å; E175-W204 HydrophobicContact CB-CE3 3.72Å; E175-W204 HydrophobicContact CB-CG 3.95Å; E175-W204 HydrophobicContact CB-CZ3 4.25Å; E175-W204 HydrophobicContact CG-CB 4.48Å; E175-W204 HydrophobicContact CG-CD2 4Å; E175-W204 HydrophobicContact CG-CE3 3.68Å; E175-W204 HydrophobicContact CG-CG 4.35Å; E175-W204 HydrophobicContact CG-CZ3 4.29Å; L178-W204 HydrophobicContact CD1-CH2 3.77Å; L178-W204 HydrophobicContact CD1-CZ3 3.85Å; L178-W204 HydrophobicContact CG-CH2 4.13Å; L178-W204 HydrophobicContact CG-CZ3 4.38Å; H201-W204 PolarHBondContact O-NE1 3.44Å; I202-W204 VanDerWaalsContact C-N 3.28Å; I202-W204 PolarHBondContact O-N 2.89Å; W204-Q207 CarbonylContact O-C 3.44Å; W204-Q207 WeakPolarHBondContact O-CB 3.42Å; W204-Q207 PolarHBondContact O-N 3.49Å; W204-W208 HydrophobicContact CE3-CB 4.39Å; W204-W208 HydrophobicContact CZ3-CB 4.39Å; W204-W208 WeakPolarHBondContact O-CB 3.36Å; W204-W208 PolarHBondContact O-N 2.83Å |
| 205 | F | 93.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.8 | -40.3 | -178.5 | -174.2 | -120.3 | 0 | 0 | 0 | 110.7 | L173 L178 L191 W196 I202 L203 Q207 W208 L209 L238 | L173-F205 HydrophobicContact CD2-CD2 4.26Å; L173-F205 HydrophobicContact CD2-CE2 4.09Å; L173-F205 HydrophobicContact CD2-CZ 4.34Å; L178-F205 HydrophobicContact CD1-CD2 4Å; L178-F205 HydrophobicContact CD1-CE2 3.83Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CZ 3.74Å; L191-F205 HydrophobicContact CD2-CZ 4.42Å; W196-F205 AromaticContact CE2-CE1 3.88Å; W196-F205 HydrophobicContact CH2-CD1 4.4Å; W196-F205 AromaticContact CH2-CE1 3.86Å; W196-F205 HydrophobicContact CH2-CE1 3.86Å; W196-F205 HydrophobicContact CH2-CZ 4.26Å; W196-F205 HydrophobicContact CZ2-CD1 4.15Å; W196-F205 AromaticContact CZ2-CE1 3.37Å; W196-F205 HydrophobicContact CZ2-CE1 3.37Å; W196-F205 AromaticContact CZ2-CZ 3.95Å; W196-F205 HydrophobicContact CZ2-CZ 3.95Å; I202-F205 HydrophobicContact CD1-CD1 4.38Å; I202-F205 HydrophobicContact CG1-CB 3.96Å; I202-F205 HydrophobicContact CG1-CD1 4.22Å; I202-F205 PolarHBondContact O-N 2.82Å; L203-F205 PolarHBondContact O-N 3.08Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 PolarHBondContact O-N 3.46Å; F205-W208 HydrophobicContact CD2-CE3 4.43Å; F205-W208 HydrophobicContact CE2-CE3 4.07Å; F205-W208 HydrophobicContact CE2-CZ3 4.46Å; F205-W208 WeakPolarHBondContact O-CB 3.42Å; F205-W208 PolarHBondContact O-N 3.26Å; F205-W208 VanDerWaalsContact O-N 3.12Å; F205-L209 HydrophobicContact CD1-CD1 4.22Å; F205-L209 HydrophobicContact CE1-CD1 3.93Å; F205-L209 HydrophobicContact CE1-CD2 4.45Å; F205-L209 HydrophobicContact CE1-CG 4.25Å; F205-L209 HydrophobicContact CE2-CD2 4.43Å; F205-L209 HydrophobicContact CZ-CD1 4.38Å; F205-L209 HydrophobicContact CZ-CD2 4.07Å; F205-L209 HydrophobicContact CZ-CG 4.26Å; F205-L209 WeakPolarHBondContact O-CG 3.19Å; F205-L209 PolarHBondContact O-N 3.43Å; F205-L238 HydrophobicContact CD1-CD2 3.66Å; F205-L238 HydrophobicContact CE1-CD2 4.06Å |
| 206 | R | 93.6 | Very high | 92 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 171.8 | 178.9 | 68.2 | -172.4 | 81.4 | -4.7 | 111.8 | I202 L203 N210 L238 M239 L241 L243 L246 | I202-R206 PolarHBondContact O-N 3.24Å; L203-R206 WeakPolarHBondContact O-CB 3.42Å; L203-R206 PolarHBondContact O-N 2.75Å; R206-N210 PolarHBondContact NH1-ND2 3.3Å; R206-N210 PolarHBondContact NH1-OD1 2.97Å; R206-N210 PolarHBondContact O-N 2.98Å; R206-L238 HydrophobicContact CB-CD1 4.26Å; R206-L238 HydrophobicContact CB-CG 4.47Å; R206-L238 WeakPolarHBondContact CD-O 3.22Å; R206-L238 PolarHBondContact NE-O 3.29Å; R206-L238 VanDerWaalsContact NE-O 3.13Å; R206-M239 PolarHBondContact NH2-O 2.75Å; R206-L241 PolarHBondContact NE-O 3.12Å; R206-L241 VanDerWaalsContact NE-O 3.13Å; R206-L243 HydrophobicContact CB-CD2 4.25Å; R206-L243 HydrophobicContact CG-CD2 3.54Å; R206-L246 HydrophobicContact CB-CD1 3.9Å; R206-L246 HydrophobicContact CG-CD1 3.82Å |
| 207 | Q | 92.2 | Very high | 91.9 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 173.4 | -69.4 | 175.2 | -1.5 | 0 | 0 | 111.7 | L203 W204 F205 L209 N210 L243 | L203-Q207 HydrophobicContact CD1-CG 4.39Å; L203-Q207 WeakPolarHBondContact O-CG 3.43Å; L203-Q207 PolarHBondContact O-N 3.21Å; W204-Q207 CarbonylContact O-C 3.44Å; W204-Q207 WeakPolarHBondContact O-CB 3.42Å; W204-Q207 PolarHBondContact O-N 3.49Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 PolarHBondContact O-N 3.46Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 2.9Å; Q207-N210 WeakPolarHBondContact O-CB 3.12Å; Q207-N210 PolarHBondContact O-N 2.96Å; Q207-N210 VanDerWaalsContact O-N 3.11Å; Q207-L243 HydrophobicContact CG-CD1 4.45Å; Q207-L243 HydrophobicContact CG-CD2 3.76Å |
| 208 | W | 93.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 175.3 | -173.5 | 108.6 | 0 | 0 | 0 | 111 | L178 L181 P183 F186 L189 W204 F205 N210 R211 L212 | L178-W208 HydrophobicContact CD1-CD2 4.23Å; L178-W208 HydrophobicContact CD1-CZ2 4.34Å; L181-W208 HydrophobicContact CB-CZ2 4.46Å; P183-W208 HydrophobicContact CB-CD2 4.14Å; P183-W208 HydrophobicContact CB-CH2 4.2Å; P183-W208 HydrophobicContact CB-CZ2 3.79Å; P183-W208 HydrophobicContact CG-CD2 4.44Å; P183-W208 HydrophobicContact CG-CZ2 4.35Å; F186-W208 HydrophobicContact CE2-CH2 4.28Å; F186-W208 HydrophobicContact CE2-CZ2 4.28Å; F186-W208 HydrophobicContact CZ-CH2 4.41Å; L189-W208 HydrophobicContact CD2-CH2 4.16Å; L189-W208 HydrophobicContact CD2-CZ3 3.66Å; W204-W208 HydrophobicContact CE3-CB 4.39Å; W204-W208 HydrophobicContact CZ3-CB 4.39Å; W204-W208 WeakPolarHBondContact O-CB 3.36Å; W204-W208 PolarHBondContact O-N 2.83Å; F205-W208 HydrophobicContact CD2-CE3 4.43Å; F205-W208 HydrophobicContact CE2-CE3 4.07Å; F205-W208 HydrophobicContact CE2-CZ3 4.46Å; F205-W208 WeakPolarHBondContact O-CB 3.42Å; F205-W208 PolarHBondContact O-N 3.26Å; F205-W208 VanDerWaalsContact O-N 3.12Å; W208-N210 VanDerWaalsContact C-N 3.27Å; W208-N210 PolarHBondContact O-N 3.15Å; W208-R211 WeakPolarHBondContact O-CB 3.18Å; W208-R211 PolarHBondContact O-N 3.03Å; W208-R211 VanDerWaalsContact O-N 3.09Å; W208-L212 HydrophobicContact CH2-CD2 3.95Å; W208-L212 HydrophobicContact CZ3-CD1 4.05Å; W208-L212 HydrophobicContact CZ3-CD2 3.88Å; W208-L212 HydrophobicContact CZ3-CG 4.14Å |
| 209 | L | 94.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -30.2 | 176 | -68.8 | 175.2 | 0 | 0 | 0 | 113.4 | L189 L191 F205 Q207 R211 L212 L217 L238 M239 | L189-L209 HydrophobicContact CD2-CD2 3.84Å; L191-L209 HydrophobicContact CD1-CD2 3.83Å; F205-L209 HydrophobicContact CD1-CD1 4.22Å; F205-L209 HydrophobicContact CE1-CD1 3.93Å; F205-L209 HydrophobicContact CE1-CD2 4.45Å; F205-L209 HydrophobicContact CE1-CG 4.25Å; F205-L209 HydrophobicContact CE2-CD2 4.43Å; F205-L209 HydrophobicContact CZ-CD1 4.38Å; F205-L209 HydrophobicContact CZ-CD2 4.07Å; F205-L209 HydrophobicContact CZ-CG 4.26Å; F205-L209 WeakPolarHBondContact O-CG 3.19Å; F205-L209 PolarHBondContact O-N 3.43Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 2.9Å; L209-R211 PolarHBondContact O-N 3.26Å; L209-L212 HydrophobicContact CB-CD1 4.46Å; L209-L212 HydrophobicContact CD2-CD1 3.63Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 PolarHBondContact O-N 3.38Å; L209-L217 HydrophobicContact CD2-CD1 4.43Å; L209-L238 HydrophobicContact CD1-CD2 3.88Å; L209-L238 HydrophobicContact CD1-CG 4.46Å; L209-M239 HydrophobicContact CB-SD 3.66Å; L209-M239 HydrophobicContact CD1-CG 4.43Å; L209-M239 HydrophobicContact CD1-SD 3.94Å; L209-M239 HydrophobicContact CG-SD 4.42Å |
| 210 | N | 92.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -19.7 | 176.5 | -79.4 | -26.2 | 0 | 0 | 0 | 113.5 | R206 Q207 W208 L212 | R206-N210 PolarHBondContact NH1-ND2 3.3Å; R206-N210 PolarHBondContact NH1-OD1 2.97Å; R206-N210 PolarHBondContact O-N 2.98Å; Q207-N210 WeakPolarHBondContact O-CB 3.12Å; Q207-N210 PolarHBondContact O-N 2.96Å; Q207-N210 VanDerWaalsContact O-N 3.11Å; W208-N210 VanDerWaalsContact C-N 3.27Å; W208-N210 PolarHBondContact O-N 3.15Å; N210-L212 VanDerWaalsContact C-N 3.34Å |
| 211 | R | 94.4 | Very high | 89.8 | Confident | 119 Ų | 119 | 63 Ų | 63 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.4 | 178.1 | -63.4 | -177.7 | -69.9 | -178 | -9.8 | 113.2 | P183 W208 L209 | P183-R211 HydrophobicContact CB-CB 3.93Å; P183-R211 HydrophobicContact CG-CB 3.77Å; W208-R211 WeakPolarHBondContact O-CB 3.18Å; W208-R211 PolarHBondContact O-N 3.03Å; W208-R211 VanDerWaalsContact O-N 3.09Å; L209-R211 PolarHBondContact O-N 3.26Å |
| 212 | L | 93.9 | Very high | 89.9 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -67.3 | 143.4 | 177.7 | -66.3 | 171.7 | 0 | 0 | 0 | 110.9 | P183 F186 L189 W208 L209 N210 K214 A216 L217 | P183-L212 HydrophobicContact CB-CD2 3.93Å; P183-L212 HydrophobicContact CB-CG 4.44Å; P183-L212 WeakPolarHBondContact O-CD2 3.22Å; F186-L212 HydrophobicContact CB-CD2 3.72Å; F186-L212 HydrophobicContact CD2-CD2 4.28Å; F186-L212 HydrophobicContact CG-CD2 3.99Å; L189-L212 HydrophobicContact CD2-CD1 3.57Å; L189-L212 HydrophobicContact CD2-CD2 4.42Å; W208-L212 HydrophobicContact CH2-CD2 3.95Å; W208-L212 HydrophobicContact CZ3-CD1 4.05Å; W208-L212 HydrophobicContact CZ3-CD2 3.88Å; W208-L212 HydrophobicContact CZ3-CG 4.14Å; L209-L212 HydrophobicContact CB-CD1 4.46Å; L209-L212 HydrophobicContact CD2-CD1 3.63Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 PolarHBondContact O-N 3.38Å; N210-L212 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 2.87Å; L212-A216 HydrophobicContact CB-CB 4.48Å; L212-L217 HydrophobicContact CD1-CD1 4.35Å |
| 213 | P | 94.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 59 Ų | 59 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | trans | -56.1 | 139.9 | 165.4 | -25.7 | 36.1 | 0 | 0 | 0 | 110.8 | P183 E184 F186 K215 A216 | P183-P213 VanDerWaalsContact O-CD 3.31Å; P183-P213 WeakPolarHBondContact O-CD 3.21Å; E184-P213 WeakPolarHBondContact O-CG 3.16Å; F186-P213 WeakPolarHBondContact O-CG 3.48Å; P213-K215 PolarHBondContact O-N 3.32Å; P213-A216 HydrophobicContact CB-CB 4.21Å; P213-A216 HydrophobicContact CG-CB 4.48Å; P213-A216 VanDerWaalsContact O-CB 3.22Å; P213-A216 WeakPolarHBondContact O-CB 3.4Å; P213-A216 PolarHBondContact O-N 3.42Å | ||
| 214 | K | 86.8 | Confident | 90 | Very high | 198 Ų | 198 | 59 Ų | 59 | 86% | 0.861 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.3 | -174.5 | -67 | -178.6 | -179.6 | 174.7 | 0 | 114.7 | L212 | L212-K214 PolarHBondContact O-N 2.87Š|
| 215 | K | 89.3 | Confident | 90.1 | Very high | 198 Ų | 198 | 57.9 Ų | 57.9 | 86% | 0.861 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.7 | 179.6 | -64.1 | -178.2 | 179.4 | 179 | 0 | 113.7 | P213 | P213-K215 PolarHBondContact O-N 3.32Š|
| 216 | A | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -37.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F186 S187 Y188 L189 L212 P213 Y218 | F186-A216 HydrophobicContact CB-CB 4.07Å; F186-A216 WeakPolarHBondContact O-CB 3.39Å; S187-A216 WeakPolarHBondContact O-CA 3.23Å; Y188-A216 CarbonylContact C-O 3.58Å; Y188-A216 VanDerWaalsContact C-O 3.32Å; Y188-A216 WeakPolarHBondContact CA-O 3.43Å; L189-A216 PolarHBondContact N-O 3.26Å; L212-A216 HydrophobicContact CB-CB 4.48Å; P213-A216 HydrophobicContact CB-CB 4.21Å; P213-A216 HydrophobicContact CG-CB 4.48Å; P213-A216 VanDerWaalsContact O-CB 3.22Å; P213-A216 WeakPolarHBondContact O-CB 3.4Å; P213-A216 PolarHBondContact O-N 3.42Å; A216-Y218 PolarHBondContact O-N 3.06Å |
| 217 | L | 91.7 | Very high | 90.2 | Very high | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 122.5 | 179.3 | -170.8 | 64 | 0 | 0 | 0 | 109.9 | L189 L191 L209 L212 I219 P223 M239 | L189-L217 HydrophobicContact CD2-CD1 4.29Å; L191-L217 HydrophobicContact CD1-CD1 4.44Å; L209-L217 HydrophobicContact CD2-CD1 4.43Å; L212-L217 HydrophobicContact CD1-CD1 4.35Å; L217-I219 WeakPolarHBondContact O-CG1 3.06Å; L217-I219 PolarHBondContact O-N 2.78Å; L217-I219 VanDerWaalsContact O-N 3.12Å; L217-P223 HydrophobicContact CD2-CB 3.81Å; L217-M239 HydrophobicContact CD2-CE 4.37Å; L217-M239 HydrophobicContact CD2-CG 3.76Å; L217-M239 HydrophobicContact CD2-SD 4.35Å |
| 218 | Y | 84.7 | Confident | 90.3 | Very high | 93 Ų | 93 | 57 Ų | 57 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | trans | -60.5 | 116 | 171.4 | 180 | -106 | 0 | 0 | 0 | 108.9 | Y188 L189 N190 E192 A216 N220 | Y188-Y218 AromaticContact CE2-CD2 3.84Å; Y188-Y218 HydrophobicContact CE2-CD2 3.84Å; Y188-Y218 HydrophobicContact CE2-CG 4.4Å; L189-Y218 WeakPolarHBondContact O-CB 3.36Å; L189-Y218 PolarHBondContact O-N 2.89Å; N190-Y218 HydrophobicContact CB-CG 4.4Å; N190-Y218 VanDerWaalsContact OD1-CD1 3.23Å; N190-Y218 WeakPolarHBondContact OD1-CD1 3.47Å; E192-Y218 HydrophobicContact CB-CD1 4.49Å; E192-Y218 HydrophobicContact CB-CE1 4.49Å; A216-Y218 PolarHBondContact O-N 3.06Å; Y218-N220 HydrophobicContact CD1-CB 4.21Å; Y218-N220 HydrophobicContact CE1-CB 3.81Å; Y218-N220 PolarHBondContact O-N 3.11Å | ||
| 219 | I | 79 | Confident | 90.3 | Very high | 128 Ų | 128 | 59 Ų | 59 | 66% | 0.656 | 29% | 0.294 | S | S | * | . | trans | -92.6 | 103.2 | -177.4 | -52.4 | -179.9 | 0 | 0 | 0 | 107.9 | L217 | L217-I219 WeakPolarHBondContact O-CG1 3.06Å; L217-I219 PolarHBondContact O-N 2.78Å; L217-I219 VanDerWaalsContact O-N 3.12Å | ||
| 220 | N | 79 | Confident | 90.3 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -109.4 | -160.2 | 162.4 | 68.9 | -8.4 | 0 | 0 | 0 | 109.3 | E192 Y218 K222 | E192-N220 VanDerWaalsContact CB-ND2 3.27Å; E192-N220 WeakPolarHBondContact CB-ND2 3.3Å; E192-N220 VanDerWaalsContact CD-ND2 3.29Å; E192-N220 WeakPolarHBondContact CG-ND2 3.04Å; E192-N220 PolarHBondContact OE1-ND2 3.35Å; Y218-N220 HydrophobicContact CD1-CB 4.21Å; Y218-N220 HydrophobicContact CE1-CB 3.81Å; Y218-N220 PolarHBondContact O-N 3.11Å; N220-K222 PolarHBondContact O-N 3.32Å; N220-K222 WeakPolarHBondContact OD1-CA 3.2Å; N220-K222 PolarHBondContact OD1-N 3.27Å; N220-K222 PolarHBondContact OD1-O 3.18Å; N220-K222 VanDerWaalsContact OD1-O 3.11Å |
| 221 | S | 80.5 | Confident | 90.4 | Very high | 98 Ų | 98 | 61.3 Ų | 61.3 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -62.9 | -19.3 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 222 | K | 89.8 | Confident | 90.3 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -136.5 | 75.4 | -175.3 | -62 | -173.7 | -173.7 | 173.7 | 0 | 112.1 | N220 G224 G225 E226 H235 A237 | N220-K222 PolarHBondContact O-N 3.32Å; N220-K222 WeakPolarHBondContact OD1-CA 3.2Å; N220-K222 PolarHBondContact OD1-N 3.27Å; N220-K222 PolarHBondContact OD1-O 3.18Å; N220-K222 VanDerWaalsContact OD1-O 3.11Å; K222-G224 PolarHBondContact O-N 3.28Å; K222-G225 PolarHBondContact O-N 3.27Å; K222-G225 VanDerWaalsContact O-N 3.1Å; K222-E226 HydrophobicContact CD-CB 3.68Å; K222-E226 HydrophobicContact CD-CG 3.72Å; K222-E226 WeakPolarHBondContact CD-OE2 3.38Å; K222-E226 IonicContact NZ-OE1 2.83Å; K222-E226 PolarHBondContact NZ-OE1 2.97Å; K222-E226 IonicContact NZ-OE2 3.62Å; K222-E226 PolarHBondContact NZ-OE2 2.8Å; K222-H235 WeakPolarHBondContact CE-O 3.29Å; K222-H235 PolarHBondContact NZ-O 3.22Å; K222-A237 HydrophobicContact CB-CB 4.08Å |
| 223 | P | 90.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.071 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 130.9 | 179.8 | 23.8 | -34 | 0 | 0 | 0 | 112.3 | L217 G225 A237 M239 Y240 | L217-P223 HydrophobicContact CD2-CB 3.81Å; P223-G225 VanDerWaalsContact C-N 3.31Å; P223-A237 HydrophobicContact CG-CB 4.07Å; P223-M239 HydrophobicContact CB-CB 4.23Å; P223-M239 HydrophobicContact CB-CG 4.21Å; P223-M239 HydrophobicContact CG-CB 4.18Å; P223-M239 WeakPolarHBondContact O-CB 3.1Å; P223-M239 VanDerWaalsContact O-CG 3.32Å; P223-M239 WeakPolarHBondContact O-CG 3.47Å; P223-M239 PolarHBondContact O-N 2.86Å; P223-Y240 HydrophobicContact CG-CE1 3.79Å; P223-Y240 HydrophobicContact CG-CE2 4.42Å |
| 224 | G | 91.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 4.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W196 K222 | W196-G224 PolarHBondContact NE1-O 2.84Å; K222-G224 PolarHBondContact O-N 3.28Å |
| 225 | G | 92.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | trans | 92.8 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L191 K222 P223 A237 L238 | L191-G225 WeakPolarHBondContact O-CA 3.29Å; K222-G225 PolarHBondContact O-N 3.27Å; K222-G225 VanDerWaalsContact O-N 3.1Å; P223-G225 VanDerWaalsContact C-N 3.31Å; G225-A237 WeakPolarHBondContact O-CA 3.28Å; G225-L238 PolarHBondContact O-N 3.36Å | ||
| 226 | E | 93.5 | Very high | 90.8 | Very high | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.3 | -170.1 | 176.2 | 171.3 | -177.2 | 0 | 0 | 111.8 | V194 K195 W196 K222 H235 | V194-E226 PolarHBondContact O-N 3.47Å; K195-E226 CarbonylContact C-O 3.5Å; K195-E226 WeakPolarHBondContact CA-O 3.29Å; W196-E226 PolarHBondContact N-O 3.5Å; K222-E226 HydrophobicContact CD-CB 3.68Å; K222-E226 HydrophobicContact CD-CG 3.72Å; K222-E226 WeakPolarHBondContact CD-OE2 3.38Å; K222-E226 IonicContact NZ-OE1 2.83Å; K222-E226 PolarHBondContact NZ-OE1 2.97Å; K222-E226 IonicContact NZ-OE2 3.62Å; K222-E226 PolarHBondContact NZ-OE2 2.8Å; E226-H235 WeakPolarHBondContact OE1-CA 3.49Å; E226-H235 IonicContact OE1-CE1 3.36Å; E226-H235 IonicContact OE1-CG 3.98Å; E226-H235 IonicContact OE1-ND1 2.78Å; E226-H235 PolarHBondContact OE1-ND1 3.04Å |
| 227 | C | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.9 | 171.6 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | W196 C198 Y233 Q234 H235 M236 L241 | W196-C227 CarbonylContact O-C 3.39Å; W196-C227 WeakPolarHBondContact O-CA 3.42Å; C198-C227 HydrophobicContact CB-CB 3.71Å; C198-C227 WeakPolarHBondContact CB-SG 3.34Å; C198-C227 WeakPolarHBondContact SG-CA 3.45Å; C198-C227 WeakPolarHBondContact SG-CB 3.17Å; C198-C227 CovalentContact SG-SG 2.02Å; C198-C227 PolarHBondContact SG-SG 2.84Å; C227-Y233 WeakPolarHBondContact CB-O 3.36Å; C227-Q234 CarbonylContact O-C 3.17Å; C227-Q234 WeakPolarHBondContact O-CA 3.18Å; C227-H235 PolarHBondContact O-N 3.05Å; C227-M236 PolarHBondContact N-O 2.95Å; C227-L241 VanDerWaalsContact SG-CD1 3.58Å |
| 228 | V | 94.5 | Very high | 91 | Very high | 58 Ų | 58 | 53 Ų | 53 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -21.2 | 175.3 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | K195 W196 | K195-V228 HydrophobicContact CB-CG1 3.69Å; K195-V228 HydrophobicContact CB-CG2 4.28Å; K195-V228 HydrophobicContact CD-CG1 3.94Å; K195-V228 HydrophobicContact CG-CG1 3.72Å; W196-V228 VanDerWaalsContact O-CG2 3.27Å; W196-V228 WeakPolarHBondContact O-CG2 3.31Å; W196-V228 PolarHBondContact O-N 3.38Å |
| 229 | S | 93.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.2 | 178.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | T197 C198 | T197-S229 CarbonylContact C-O 3.57Å; C198-S229 PolarHBondContact N-O 3.41Å |
| 230 | P | 94.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 52 Ų | 52 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | S | Bend | cis | -62.6 | 164.4 | -13.1 | 24.6 | -32.7 | 0 | 0 | 0 | 112.9 | C198 Q232 Y233 Q234 | C198-P230 WeakPolarHBondContact O-CD 3.44Å; P230-Q232 HydrophobicContact CB-CG 4.01Å; P230-Q232 HydrophobicContact CG-CG 3.68Å; P230-Q232 PolarHBondContact O-N 3.01Å; P230-Q232 VanDerWaalsContact O-N 3.11Å; P230-Y233 HydrophobicContact CG-CD2 3.88Å; P230-Y233 HydrophobicContact CG-CE2 4.22Å; P230-Y233 PolarHBondContact O-N 2.84Å; P230-Q234 PolarHBondContact O-N 3.02Å |
| 231 | S | 94.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 70% | 0.699 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -53.5 | -34.7 | -176.1 | 55 | 0 | 0 | 0 | 0 | 113.7 | Y233 Q234 | S231-Y233 PolarHBondContact O-N 2.79Å; S231-Y233 VanDerWaalsContact O-N 3.13Å; S231-Q234 WeakPolarHBondContact O-CB 3.26Å; S231-Q234 PolarHBondContact O-N 2.95Å; S231-Q234 VanDerWaalsContact O-N 3.12Å |
| 232 | Q | 93.4 | Very high | 93.3 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -55.3 | -26 | 174.1 | 67 | -162.3 | 17.6 | 0 | 0 | 114.3 | P230 M236 | P230-Q232 HydrophobicContact CB-CG 4.01Å; P230-Q232 HydrophobicContact CG-CG 3.68Å; P230-Q232 PolarHBondContact O-N 3.01Å; P230-Q232 VanDerWaalsContact O-N 3.11Å; Q232-M236 WeakPolarHBondContact O-CE 3.45Å |
| 233 | Y | 94.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -112.4 | 5.8 | 179.9 | -54.1 | -35.9 | 0 | 0 | 0 | 113.8 | C198 C227 P230 S231 H235 M236 L241 S245 L246 | C198-Y233 HydrophobicContact CB-CD2 4.1Å; C198-Y233 VanDerWaalsContact O-CD2 3.32Å; C198-Y233 WeakPolarHBondContact O-CD2 3.14Å; C227-Y233 WeakPolarHBondContact CB-O 3.36Å; P230-Y233 HydrophobicContact CG-CD2 3.88Å; P230-Y233 HydrophobicContact CG-CE2 4.22Å; P230-Y233 PolarHBondContact O-N 2.84Å; S231-Y233 PolarHBondContact O-N 2.79Å; S231-Y233 VanDerWaalsContact O-N 3.13Å; Y233-H235 PolarHBondContact O-N 3.06Å; Y233-M236 HydrophobicContact CD1-CE 3.34Å; Y233-M236 HydrophobicContact CE1-CE 4.28Å; Y233-M236 HydrophobicContact CG-CE 4.06Å; Y233-M236 WeakPolarHBondContact O-CB 3.33Å; Y233-M236 PolarHBondContact O-N 2.72Å; Y233-L241 HydrophobicContact CD1-CD1 4.41Å; Y233-L241 HydrophobicContact CD1-CD2 3.61Å; Y233-L241 HydrophobicContact CD2-CD1 3.78Å; Y233-L241 HydrophobicContact CD2-CD2 4.44Å; Y233-L241 HydrophobicContact CE1-CD2 3.96Å; Y233-L241 HydrophobicContact CE2-CD1 4.24Å; Y233-L241 HydrophobicContact CG-CD1 3.88Å; Y233-L241 HydrophobicContact CG-CD2 3.88Å; Y233-S245 VanDerWaalsContact OH-CB 3.28Å; Y233-S245 WeakPolarHBondContact OH-CB 3.3Å; Y233-S245 PolarHBondContact OH-O 2.76Å; Y233-S245 VanDerWaalsContact OH-O 3.07Å; Y233-L246 HydrophobicContact CE2-CD2 4.33Å |
| 234 | Q | 93.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 133.1 | -176.2 | -164.8 | -178.8 | -26.7 | 0 | 0 | 111.1 | C227 P230 S231 M236 | C227-Q234 CarbonylContact O-C 3.17Å; C227-Q234 WeakPolarHBondContact O-CA 3.18Å; P230-Q234 PolarHBondContact O-N 3.02Å; S231-Q234 WeakPolarHBondContact O-CB 3.26Å; S231-Q234 PolarHBondContact O-N 2.95Å; S231-Q234 VanDerWaalsContact O-N 3.12Å; Q234-M236 PolarHBondContact O-N 3.1Å |
| 235 | H | 92.4 | Very high | 93 | Very high | 107 Ų | 107 | 55 Ų | 55 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 0.8 | -177.5 | -52.1 | -59.7 | 0 | 0 | 0 | 116.8 | K222 E226 C227 Y233 | K222-H235 WeakPolarHBondContact CE-O 3.29Å; K222-H235 PolarHBondContact NZ-O 3.22Å; E226-H235 WeakPolarHBondContact OE1-CA 3.49Å; E226-H235 IonicContact OE1-CE1 3.36Å; E226-H235 IonicContact OE1-CG 3.98Å; E226-H235 IonicContact OE1-ND1 2.78Å; E226-H235 PolarHBondContact OE1-ND1 3.04Å; C227-H235 PolarHBondContact O-N 3.05Å; Y233-H235 PolarHBondContact O-N 3.06Å |
| 236 | M | 94.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 55 Ų | 55 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | trans | -79.1 | 152.6 | 174.4 | -65.4 | -152.5 | -81.7 | 0 | 0 | 112.1 | C227 Q232 Y233 Q234 L241 | C227-M236 PolarHBondContact N-O 2.95Å; Q232-M236 WeakPolarHBondContact O-CE 3.45Å; Y233-M236 HydrophobicContact CD1-CE 3.34Å; Y233-M236 HydrophobicContact CE1-CE 4.28Å; Y233-M236 HydrophobicContact CG-CE 4.06Å; Y233-M236 WeakPolarHBondContact O-CB 3.33Å; Y233-M236 PolarHBondContact O-N 2.72Å; Q234-M236 PolarHBondContact O-N 3.1Å; M236-L241 HydrophobicContact CE-CD2 3.61Å; M236-L241 HydrophobicContact SD-CD2 4.4Å | ||
| 237 | A | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 136.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K222 P223 G225 M239 Y240 | K222-A237 HydrophobicContact CB-CB 4.08Å; P223-A237 HydrophobicContact CG-CB 4.07Å; G225-A237 WeakPolarHBondContact O-CA 3.28Å; A237-M239 PolarHBondContact O-N 2.81Å; A237-Y240 HydrophobicContact CB-CD2 3.41Å; A237-Y240 VanDerWaalsContact CB-CD2 3.41Å; A237-Y240 HydrophobicContact CB-CE2 3.58Å; A237-Y240 HydrophobicContact CB-CG 3.97Å; A237-Y240 WeakPolarHBondContact O-CB 3.36Å; A237-Y240 PolarHBondContact O-N 3Å |
| 238 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -55.2 | -39 | 179.4 | 178 | 59.5 | 0 | 0 | 0 | 111.8 | I202 F205 R206 L209 G225 Y240 L241 L246 | I202-L238 HydrophobicContact CD1-CD1 4.27Å; I202-L238 HydrophobicContact CD1-CD2 3.8Å; I202-L238 HydrophobicContact CG1-CD1 4.45Å; I202-L238 HydrophobicContact CG1-CD2 4.11Å; I202-L238 HydrophobicContact CG2-CD1 4.14Å; F205-L238 HydrophobicContact CD1-CD2 3.66Å; F205-L238 HydrophobicContact CE1-CD2 4.06Å; R206-L238 HydrophobicContact CB-CD1 4.26Å; R206-L238 HydrophobicContact CB-CG 4.47Å; R206-L238 WeakPolarHBondContact CD-O 3.22Å; R206-L238 PolarHBondContact NE-O 3.29Å; R206-L238 VanDerWaalsContact NE-O 3.13Å; L209-L238 HydrophobicContact CD1-CD2 3.88Å; L209-L238 HydrophobicContact CD1-CG 4.46Å; G225-L238 PolarHBondContact O-N 3.36Å; L238-Y240 PolarHBondContact O-N 3.04Å; L238-L241 HydrophobicContact CD1-CD1 4.45Å; L238-L241 PolarHBondContact O-N 2.87Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L238-L246 HydrophobicContact CD1-CD1 4.09Å |
| 239 | M | 93 | Very high | 91.9 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -63.9 | -22 | 179.2 | -73.2 | -64.5 | -71.4 | 0 | 0 | 114.3 | R206 L209 L217 P223 A237 | R206-M239 PolarHBondContact NH2-O 2.75Å; L209-M239 HydrophobicContact CB-SD 3.66Å; L209-M239 HydrophobicContact CD1-CG 4.43Å; L209-M239 HydrophobicContact CD1-SD 3.94Å; L209-M239 HydrophobicContact CG-SD 4.42Å; L217-M239 HydrophobicContact CD2-CE 4.37Å; L217-M239 HydrophobicContact CD2-CG 3.76Å; L217-M239 HydrophobicContact CD2-SD 4.35Å; P223-M239 HydrophobicContact CB-CB 4.23Å; P223-M239 HydrophobicContact CB-CG 4.21Å; P223-M239 HydrophobicContact CG-CB 4.18Å; P223-M239 WeakPolarHBondContact O-CB 3.1Å; P223-M239 VanDerWaalsContact O-CG 3.32Å; P223-M239 WeakPolarHBondContact O-CG 3.47Å; P223-M239 PolarHBondContact O-N 2.86Å; A237-M239 PolarHBondContact O-N 2.81Å |
| 240 | Y | 93.7 | Very high | 91.8 | Very high | 154 Ų | 154 | 56.6 Ų | 56.6 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -82.8 | -16.5 | 178.1 | -59.3 | -28.6 | 0 | 0 | 0 | 113.1 | P223 A237 L238 | P223-Y240 HydrophobicContact CG-CE1 3.79Å; P223-Y240 HydrophobicContact CG-CE2 4.42Å; A237-Y240 HydrophobicContact CB-CD2 3.41Å; A237-Y240 VanDerWaalsContact CB-CD2 3.41Å; A237-Y240 HydrophobicContact CB-CE2 3.58Å; A237-Y240 HydrophobicContact CB-CG 3.97Å; A237-Y240 WeakPolarHBondContact O-CB 3.36Å; A237-Y240 PolarHBondContact O-N 3Å; L238-Y240 PolarHBondContact O-N 3.04Å |
| 241 | L | 93.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -73.7 | 135 | 174.4 | -59.4 | -174.1 | 0 | 0 | 0 | 110.6 | C198 R206 C227 Y233 M236 L238 L246 | C198-L241 HydrophobicContact CB-CD1 3.69Å; R206-L241 PolarHBondContact NE-O 3.12Å; R206-L241 VanDerWaalsContact NE-O 3.13Å; C227-L241 VanDerWaalsContact SG-CD1 3.58Å; Y233-L241 HydrophobicContact CD1-CD1 4.41Å; Y233-L241 HydrophobicContact CD1-CD2 3.61Å; Y233-L241 HydrophobicContact CD2-CD1 3.78Å; Y233-L241 HydrophobicContact CD2-CD2 4.44Å; Y233-L241 HydrophobicContact CE1-CD2 3.96Å; Y233-L241 HydrophobicContact CE2-CD1 4.24Å; Y233-L241 HydrophobicContact CG-CD1 3.88Å; Y233-L241 HydrophobicContact CG-CD2 3.88Å; M236-L241 HydrophobicContact CE-CD2 3.61Å; M236-L241 HydrophobicContact SD-CD2 4.4Å; L238-L241 HydrophobicContact CD1-CD1 4.45Å; L238-L241 PolarHBondContact O-N 2.87Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L241-L246 HydrophobicContact CB-CD1 4.15Å; L241-L246 HydrophobicContact CB-CG 4.41Å; L241-L246 HydrophobicContact CD1-CD1 4.48Å; L241-L246 HydrophobicContact CD1-CD2 3.87Å; L241-L246 HydrophobicContact CD1-CG 4.44Å |
| 242 | N | 91.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 54.7 Ų | 54.7 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | trans | -70.2 | 144.1 | 172.4 | -169.1 | -19 | 0 | 0 | 0 | 109.3 | T244 S245 | N242-T244 PolarHBondContact ND2-OG1 3.22Å; N242-T244 VanDerWaalsContact ND2-OG1 3.16Å; N242-T244 PolarHBondContact O-N 3.17Å; N242-T244 PolarHBondContact OD1-N 3.06Å; N242-T244 VanDerWaalsContact OD1-N 3.15Å; N242-T244 PolarHBondContact OD1-OG1 3.16Å; N242-S245 WeakPolarHBondContact O-CB 3.33Å; N242-S245 PolarHBondContact O-N 3.4Å; N242-S245 PolarHBondContact O-OG 3.14Å | ||
| 243 | L | 90.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 27% | 0.272 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -55.7 | -36 | 172.4 | -63.6 | 176.8 | 0 | 0 | 0 | 111.2 | L203 R206 Q207 S245 L246 | L203-L243 HydrophobicContact CD1-CB 4.21Å; L203-L243 HydrophobicContact CD1-CD2 3.83Å; R206-L243 HydrophobicContact CB-CD2 4.25Å; R206-L243 HydrophobicContact CG-CD2 3.54Å; Q207-L243 HydrophobicContact CG-CD1 4.45Å; Q207-L243 HydrophobicContact CG-CD2 3.76Å; L243-S245 PolarHBondContact O-N 3.25Å; L243-S245 VanDerWaalsContact O-N 3.13Å; L243-L246 PolarHBondContact O-N 3.38Å |
| 244 | T | 86.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -76 | 14.6 | 173.4 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | N242 Y356 | N242-T244 PolarHBondContact ND2-OG1 3.22Å; N242-T244 VanDerWaalsContact ND2-OG1 3.16Å; N242-T244 PolarHBondContact O-N 3.17Å; N242-T244 PolarHBondContact OD1-N 3.06Å; N242-T244 VanDerWaalsContact OD1-N 3.15Å; N242-T244 PolarHBondContact OD1-OG1 3.16Å; T244-Y356 VanDerWaalsContact CA-CE1 3.47Å; T244-Y356 WeakPolarHBondContact CA-OH 3.37Å; T244-Y356 HydrophobicContact CG2-CE1 4.28Å; T244-Y356 VanDerWaalsContact O-CE1 3.3Å; T244-Y356 WeakPolarHBondContact O-CE1 3.37Å; T244-Y356 WeakPolarHBondContact O-CE2 3.48Å; T244-Y356 PolarHBondContact O-OH 3.09Å |
| 245 | S | 89.1 | Confident | 90.8 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -109.5 | -16 | 169.6 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | Y233 N242 L243 Y356 K357 | Y233-S245 VanDerWaalsContact OH-CB 3.28Å; Y233-S245 WeakPolarHBondContact OH-CB 3.3Å; Y233-S245 PolarHBondContact OH-O 2.76Å; Y233-S245 VanDerWaalsContact OH-O 3.07Å; N242-S245 WeakPolarHBondContact O-CB 3.33Å; N242-S245 PolarHBondContact O-N 3.4Å; N242-S245 PolarHBondContact O-OG 3.14Å; L243-S245 PolarHBondContact O-N 3.25Å; L243-S245 VanDerWaalsContact O-N 3.13Å; S245-Y356 PolarHBondContact N-OH 2.91Å; S245-K357 WeakPolarHBondContact O-CE 3.22Å; S245-K357 PolarHBondContact O-NZ 3.03Å |
| 246 | L | 90.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -113.3 | 18.5 | -173.8 | -60.6 | 170.6 | 0 | 0 | 0 | 112.6 | C198 D199 C200 I202 L203 R206 Y233 L238 L241 L243 | C198-L246 HydrophobicContact CB-CD2 4.2Å; C198-L246 VanDerWaalsContact O-CD2 3.25Å; C198-L246 WeakPolarHBondContact O-CD2 3.19Å; D199-L246 VanDerWaalsContact O-CD2 3.26Å; D199-L246 WeakPolarHBondContact O-CD2 3.16Å; C200-L246 WeakPolarHBondContact CA-O 3.4Å; C200-L246 WeakPolarHBondContact CB-O 3.41Å; I202-L246 HydrophobicContact CG2-CD1 4.31Å; I202-L246 HydrophobicContact CG2-CD2 4Å; L203-L246 HydrophobicContact CB-CB 4.35Å; L203-L246 WeakPolarHBondContact CB-O 3.16Å; L203-L246 HydrophobicContact CD1-CB 3.98Å; R206-L246 HydrophobicContact CB-CD1 3.9Å; R206-L246 HydrophobicContact CG-CD1 3.82Å; Y233-L246 HydrophobicContact CE2-CD2 4.33Å; L238-L246 HydrophobicContact CD1-CD1 4.09Å; L241-L246 HydrophobicContact CB-CD1 4.15Å; L241-L246 HydrophobicContact CB-CG 4.41Å; L241-L246 HydrophobicContact CD1-CD1 4.48Å; L241-L246 HydrophobicContact CD1-CD2 3.87Å; L241-L246 HydrophobicContact CD1-CG 4.44Å; L243-L246 PolarHBondContact O-N 3.38Å |
| 247 | Q | 87.3 | Confident | 90.4 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 152.6 | 173.3 | -56.5 | -179.9 | -5.6 | 0 | 0 | 109.8 | C200 L203 E300 P301 Y356 K357 | C200-Q247 WeakPolarHBondContact CB-O 3.5Å; L203-Q247 HydrophobicContact CD2-CG 4.2Å; Q247-E300 WeakPolarHBondContact CB-O 3.21Å; Q247-P301 HydrophobicContact CG-CG 4.4Å; Q247-Y356 WeakPolarHBondContact CA-OH 3.35Å; Q247-Y356 HydrophobicContact CB-CE1 3.79Å; Q247-Y356 WeakPolarHBondContact CB-OH 3.48Å; Q247-Y356 HydrophobicContact CG-CE1 3.55Å; Q247-Y356 WeakPolarHBondContact CG-OH 3.38Å; Q247-Y356 PolarHBondContact N-OH 2.87Å; Q247-Y356 VanDerWaalsContact OE1-CD1 3.3Å; Q247-K357 HydrophobicContact CB-CG 4.48Å; Q247-K357 VanDerWaalsContact O-CE 3.26Å; Q247-K357 WeakPolarHBondContact O-CE 3.48Å; Q247-K357 VanDerWaalsContact O-CG 3.27Å; Q247-K357 WeakPolarHBondContact O-CG 3.21Å |
| 248 | C | 88.2 | Confident | 89.7 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 153.9 | 171.6 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | C200 N355 | C200-C248 VanDerWaalsContact CB-CA 3.45Å; C200-C248 HydrophobicContact CB-CB 3.69Å; C200-C248 VanDerWaalsContact CB-N 3.25Å; C200-C248 WeakPolarHBondContact CB-SG 3.13Å; C200-C248 WeakPolarHBondContact SG-CA 3.44Å; C200-C248 WeakPolarHBondContact SG-CB 3.22Å; C200-C248 CovalentContact SG-SG 2.03Å; C200-C248 PolarHBondContact SG-SG 2.84Å; C248-N355 PolarHBondContact O-ND2 2.96Å |
| 249 | E | 88.2 | Confident | 88.4 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 144.2 | 162.4 | -174.9 | 170.2 | -167.2 | 0 | 0 | 109.5 | K357 G358 Q359 | E249-K357 HydrophobicContact CB-CB 4.24Å; E249-G358 WeakPolarHBondContact OE1-CA 3.45Å; E249-Q359 PolarHBondContact OE1-N 3.29Å |
| 250 | P | 90 | Very high | 86.8 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 141.4 | 172.3 | -30.7 | 42.4 | 0 | 0 | 0 | 112.1 | M303 A353 N355 G358 A360 | P250-M303 HydrophobicContact CB-CE 3.48Å; P250-M303 VanDerWaalsContact CB-CE 3.48Å; P250-M303 HydrophobicContact CB-SD 4.36Å; P250-M303 HydrophobicContact CG-CE 3.5Å; P250-M303 VanDerWaalsContact CG-CE 3.5Å; P250-M303 HydrophobicContact CG-SD 4.15Å; P250-A353 HydrophobicContact CB-CB 4.04Å; P250-N355 WeakPolarHBondContact CD-ND2 3.46Å; P250-N355 WeakPolarHBondContact CD-OD1 3.18Å; P250-N355 HydrophobicContact CG-CB 4.44Å; P250-G358 WeakPolarHBondContact CD-O 3.43Å; P250-A360 HydrophobicContact CB-CB 3.88Å; P250-A360 WeakPolarHBondContact O-CB 3.44Å |
| 251 | E | 89.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.1 | 172.9 | 170.8 | 179.1 | -163.4 | 0 | 0 | 110.6 | T274 F297 I298 | E251-T274 HydrophobicContact CG-CG2 3.83Å; E251-F297 CarbonylContact O-C 3.57Å; E251-F297 WeakPolarHBondContact O-CA 3.45Å; E251-I298 HydrophobicContact CB-CG2 3.64Å; E251-I298 HydrophobicContact CG-CG2 4.12Å; E251-I298 PolarHBondContact N-O 3.41Å; E251-I298 VanDerWaalsContact N-O 3.07Å; E251-I298 PolarHBondContact O-N 3.26Å |
| 252 | L | 90.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.2 | 174.4 | 178.7 | 72.6 | 0 | 0 | 0 | 109.1 | T255 L273 C295 F297 A360 A362 | L252-T255 HydrophobicContact CD1-CG2 4.13Å; L252-T255 HydrophobicContact CD2-CG2 4.15Å; L252-L273 HydrophobicContact CD2-CD2 3.93Å; L252-L273 HydrophobicContact CG-CD2 4.35Å; L252-C295 HydrophobicContact CD1-CB 4.29Å; L252-F297 HydrophobicContact CB-CD1 4.06Å; L252-F297 HydrophobicContact CB-CE1 3.99Å; L252-F297 HydrophobicContact CD1-CD1 3.9Å; L252-F297 HydrophobicContact CD1-CE1 3.5Å; L252-F297 HydrophobicContact CD1-CE2 4.41Å; L252-F297 HydrophobicContact CD1-CG 4.49Å; L252-F297 HydrophobicContact CD1-CZ 3.81Å; L252-F297 HydrophobicContact CG-CE1 4.34Å; L252-A360 HydrophobicContact CB-CB 4.35Å; L252-A362 HydrophobicContact CD1-CB 4.24Å; L252-A362 HydrophobicContact CD2-CB 3.74Å |
| 253 | M | 88.5 | Confident | 80.1 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 26% | 0.261 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -48.8 | -179.3 | -64.1 | -173.3 | 68.7 | 0 | 0 | 112.4 | S296 I298 K330 F658 | M253-S296 PolarHBondContact N-O 3.41Å; M253-I298 HydrophobicContact CG-CB 4.05Å; M253-I298 HydrophobicContact CG-CG2 4.04Å; M253-I298 HydrophobicContact SD-CB 3.87Å; M253-I298 HydrophobicContact SD-CG2 4.44Å; M253-K330 HydrophobicContact CE-CD 4.16Å; M253-K330 HydrophobicContact SD-CB 4.38Å; M253-K330 HydrophobicContact SD-CD 4.08Å; M253-K330 HydrophobicContact SD-CG 3.93Å; M253-F658 HydrophobicContact CE-CE2 4.03Å; M253-F658 HydrophobicContact CE-CZ 4.31Å |
| 254 | H | 88.8 | Confident | 77.8 | Confident | 75 Ų | 75 | 71 Ų | 71 | 35% | 0.347 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 165.3 | 179.3 | 73.2 | 88.5 | 0 | 0 | 0 | 111.5 | S296 | H254-S296 WeakPolarHBondContact CD2-CB 3.37Å; H254-S296 PolarHBondContact CE1-OG 3.04Å; H254-S296 PolarHBondContact N-O 2.81Å; H254-S296 WeakPolarHBondContact NE2-CB 3.45Å; H254-S296 PolarHBondContact NE2-OG 3.07Å; H254-S296 PolarHBondContact O-N 2.6Å |
| 255 | T | 92.2 | Very high | 75.8 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.8 | 173.7 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | L252 P257 S258 I281 V294 A362 F364 | L252-T255 HydrophobicContact CD1-CG2 4.13Å; L252-T255 HydrophobicContact CD2-CG2 4.15Å; T255-P257 CarbonylContact C-O 3.5Å; T255-P257 CarbonylContact O-C 3.51Å; T255-P257 PolarHBondContact OG1-O 3.36Å; T255-S258 WeakPolarHBondContact O-CA 2.92Å; T255-S258 PolarHBondContact O-N 3.18Å; T255-I281 HydrophobicContact CG2-CD1 3.99Å; T255-I281 WeakPolarHBondContact OG1-CD1 3.48Å; T255-V294 CarbonylContact C-O 3.51Å; T255-V294 WeakPolarHBondContact CA-O 3.39Å; T255-A362 HydrophobicContact CG2-CB 3.49Å; T255-A362 VanDerWaalsContact CG2-CB 3.49Å; T255-F364 HydrophobicContact CG2-CZ 4.01Å |
| 256 | I | 89.9 | Confident | 74 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 34% | 0.344 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.3 | 167.6 | -49 | 176.1 | 0 | 0 | 0 | 107.9 | L293 V294 | I256-L293 CarbonylContact O-C 3.59Å; I256-L293 WeakPolarHBondContact O-CA 3.27Å; I256-V294 HydrophobicContact CB-CB 3.74Å; I256-V294 HydrophobicContact CB-CG2 3.94Å; I256-V294 HydrophobicContact CD1-CB 4.19Å; I256-V294 HydrophobicContact CD1-CG1 4.34Å; I256-V294 HydrophobicContact CD1-CG2 4.24Å; I256-V294 HydrophobicContact CG1-CB 4Å; I256-V294 HydrophobicContact CG1-CG1 4.44Å; I256-V294 HydrophobicContact CG1-CG2 4.4Å; I256-V294 PolarHBondContact N-O 3.28Å; I256-V294 PolarHBondContact O-N 2.84Å |
| 257 | P | 87.9 | Confident | 71.9 | Confident | 43 Ų | 43 | 87.6 Ų | 87.6 | 28% | 0.279 | 44% | 0.44 | S | S | . | . | S | Bend | cis | -57 | 147.5 | -9.4 | -24.6 | 36.7 | 0 | 0 | 0 | 112.8 | T255 V283 | T255-P257 CarbonylContact C-O 3.5Å; T255-P257 CarbonylContact O-C 3.51Å; T255-P257 PolarHBondContact OG1-O 3.36Å; P257-V283 HydrophobicContact CB-CG2 4.41Å; P257-V283 HydrophobicContact CG-CB 4.48Å; P257-V283 HydrophobicContact CG-CG1 3.94Å; P257-V283 HydrophobicContact CG-CG2 3.81Å |
| 258 | S | 81.1 | Confident | 69.7 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | trans | -74.9 | 155.3 | 175.3 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | T255 H260 | T255-S258 WeakPolarHBondContact O-CA 2.92Å; T255-S258 PolarHBondContact O-N 3.18Å; S258-H260 PolarHBondContact O-N 2.93Å | ||
| 259 | H | 67.8 | Low | 67.4 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 34% | 0.343 | 48% | 0.484 | S | S | . | . | trans | -57.9 | 114.9 | 167.4 | -161.1 | -90.2 | 0 | 0 | 0 | 108 | D261 T279 I281 | H259-D261 IonicContact CE1-OD1 3.24Å; H259-D261 PolarHBondContact CE1-OD1 3.36Å; H259-D261 IonicContact CG-OD1 2.76Å; H259-D261 IonicContact ND1-OD1 2.91Å; H259-D261 PolarHBondContact ND1-OD1 2.99Å; H259-D261 PolarHBondContact O-N 3.11Å; H259-T279 PolarHBondContact NE2-OG1 3.5Å; H259-I281 HydrophobicContact CB-CG1 4.39Å | ||
| 260 | H | 57.6 | Low | 65.1 | Low | 162 Ų | 162 | 97 Ų | 97 | 75% | 0.75 | 50% | 0.495 | S | S | * | . | trans | -72.2 | 86 | 172.6 | -93.6 | -66.8 | 0 | 0 | 0 | 107.6 | S258 D262 | S258-H260 PolarHBondContact O-N 2.93Å; H260-D262 PolarHBondContact O-N 2.96Å | ||
| 261 | D | 50.8 | Low | 62.8 | Low | 95 Ų | 95 | 106.3 Ų | 106.3 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | trans | -70.4 | 125.1 | 160 | -74.1 | -15.2 | 0 | 0 | 0 | 107.3 | H259 K263 | H259-D261 IonicContact CE1-OD1 3.24Å; H259-D261 PolarHBondContact CE1-OD1 3.36Å; H259-D261 IonicContact CG-OD1 2.76Å; H259-D261 IonicContact ND1-OD1 2.91Å; H259-D261 PolarHBondContact ND1-OD1 2.99Å; H259-D261 PolarHBondContact O-N 3.11Å; D261-K263 PolarHBondContact O-N 3.1Å; D261-K263 VanDerWaalsContact O-N 3.07Å | ||
| 262 | D | 41.1 | Very low | 60.5 | Low | 140 Ų | 140 | 107.4 Ų | 107.4 | 75% | 0.749 | 54% | 0.537 | S | S | * | . | trans | -41.5 | 117.2 | 177 | -89.5 | -44.1 | 0 | 0 | 0 | 110.4 | H260 N264 D265 | H260-D262 PolarHBondContact O-N 2.96Å; D262-N264 PolarHBondContact O-N 2.83Å; D262-D265 PolarHBondContact O-N 3.48Å | ||
| 263 | K | 46.5 | Very low | 58.7 | Low | 197 Ų | 197 | 110.5 Ų | 110.5 | 86% | 0.857 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 13 | 177.4 | -78.1 | -175.9 | 174.1 | 178.7 | 0 | 114.5 | D261 | D261-K263 PolarHBondContact O-N 3.1Å; D261-K263 VanDerWaalsContact O-N 3.07Å |
| 264 | N | 42.7 | Very low | 56.7 | Low | 151 Ų | 151 | 111.6 Ų | 111.6 | 81% | 0.807 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -5.1 | 179.3 | -74.4 | -21.3 | 0 | 0 | 0 | 114.3 | D262 | D262-N264 PolarHBondContact O-N 2.83Š|
| 265 | D | 45.1 | Very low | 54.5 | Low | 95 Ų | 95 | 114.4 Ų | 114.4 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | trans | -103.5 | 88.1 | 176.9 | -155.2 | -5.5 | 0 | 0 | 0 | 112.5 | D262 N267 S268 | D262-D265 PolarHBondContact O-N 3.48Å; D265-N267 PolarHBondContact O-N 3.03Å; D265-N267 PolarHBondContact OD1-N 2.9Å; D265-S268 PolarHBondContact O-N 3.19Å; D265-S268 PolarHBondContact O-OG 3.15Å | ||
| 266 | K | 51 | Low | 52.6 | Low | 209 Ų | 209 | 124.6 Ų | 124.6 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -2 | 172.9 | -71.5 | -175.4 | 178.2 | 179.3 | 0 | 113.4 | ||
| 267 | N | 46.1 | Very low | 50.9 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 16 | 177.9 | -72.7 | -22.6 | 0 | 0 | 0 | 114.1 | D265 V269 | D265-N267 PolarHBondContact O-N 3.03Å; D265-N267 PolarHBondContact OD1-N 2.9Å; N267-V269 PolarHBondContact O-N 3.19Å |
| 268 | S | 40 | Very low | 49.7 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 52% | 0.517 | 63% | 0.632 | S | S | . | * | trans | -75.4 | 65.3 | 170.2 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | D265 K270 | D265-S268 PolarHBondContact O-N 3.19Å; D265-S268 PolarHBondContact O-OG 3.15Å; S268-K270 PolarHBondContact O-N 3.15Å; S268-K270 VanDerWaalsContact O-N 3.15Å | ||
| 269 | V | 40.6 | Very low | 49.7 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -51.1 | 115.2 | 165 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | N267 R271 | N267-V269 PolarHBondContact O-N 3.19Å; V269-R271 VanDerWaalsContact C-N 3.29Å; V269-R271 PolarHBondContact O-N 2.81Å | ||
| 270 | K | 40.2 | Very low | 50.7 | Low | 171 Ų | 171 | 124.9 Ų | 124.9 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | trans | 12.6 | 70.5 | 162.5 | -75.5 | -179.5 | 173.8 | 179.2 | 0 | 113.2 | S268 N272 | S268-K270 PolarHBondContact O-N 3.15Å; S268-K270 VanDerWaalsContact O-N 3.15Å; K270-N272 PolarHBondContact O-N 3.42Å; K270-N272 VanDerWaalsContact O-N 3.12Å | ||
| 271 | R | 41.7 | Very low | 52.3 | Low | 203 Ų | 203 | 117.5 Ų | 117.5 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | trans | -71.5 | 110.5 | 162.6 | -80.1 | -174 | 179.1 | 156.7 | 1.9 | 104.5 | V269 L273 | V269-R271 VanDerWaalsContact C-N 3.29Å; V269-R271 PolarHBondContact O-N 2.81Å; R271-L273 PolarHBondContact O-N 3.31Å; R271-L273 VanDerWaalsContact O-N 3.11Å | ||
| 272 | N | 41.1 | Very low | 54.3 | Low | 105 Ų | 105 | 118 Ų | 118 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | trans | -52.5 | 121.6 | 168.9 | -67.8 | -26.9 | 0 | 0 | 0 | 106.2 | K270 T274 D275 | K270-N272 PolarHBondContact O-N 3.42Å; K270-N272 VanDerWaalsContact O-N 3.12Å; N272-T274 HydrophobicContact CB-CG2 4.4Å; N272-T274 WeakPolarHBondContact CB-OG1 3.4Å; N272-T274 PolarHBondContact O-N 3.05Å; N272-D275 PolarHBondContact O-N 2.83Å; N272-D275 VanDerWaalsContact O-N 3.16Å | ||
| 273 | L | 51.9 | Low | 56.8 | Low | 73 Ų | 73 | 111.7 Ų | 111.7 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | -1.9 | 173.3 | -99.9 | 89.7 | 0 | 0 | 0 | 112.6 | L252 R271 D275 V277 | L252-L273 HydrophobicContact CD2-CD2 3.93Å; L252-L273 HydrophobicContact CG-CD2 4.35Å; R271-L273 PolarHBondContact O-N 3.31Å; R271-L273 VanDerWaalsContact O-N 3.11Å; L273-D275 VanDerWaalsContact C-N 3.28Å; L273-V277 HydrophobicContact CD2-CG2 4.38Å; L273-V277 HydrophobicContact CG-CG2 4.4Å |
| 274 | T | 46.6 | Very low | 59 | Low | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.7 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | E251 N272 R276 | E251-T274 HydrophobicContact CG-CG2 3.83Å; N272-T274 HydrophobicContact CB-CG2 4.4Å; N272-T274 WeakPolarHBondContact CB-OG1 3.4Å; N272-T274 PolarHBondContact O-N 3.05Å; T274-R276 PolarHBondContact O-N 3.22Å |
| 275 | D | 43.4 | Very low | 61.3 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 86.3 | 164.3 | -84.1 | -21 | 0 | 0 | 0 | 108.1 | N272 L273 V277 | N272-D275 PolarHBondContact O-N 2.83Å; N272-D275 VanDerWaalsContact O-N 3.16Å; L273-D275 VanDerWaalsContact C-N 3.28Å; D275-V277 PolarHBondContact O-N 2.79Å |
| 276 | R | 52 | Low | 63.5 | Low | 221 Ų | 221 | 101.8 Ų | 101.8 | 83% | 0.834 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 5.8 | 92.6 | 167.7 | -66.9 | 178.2 | 177 | 176.5 | -0.2 | 110.8 | T274 T278 | T274-R276 PolarHBondContact O-N 3.22Å; R276-T278 HydrophobicContact CB-CG2 3.98Å; R276-T278 WeakPolarHBondContact O-CG2 3.43Å; R276-T278 PolarHBondContact O-N 3.42Å |
| 277 | V | 54.7 | Low | 65.4 | Low | 32 Ų | 32 | 94.5 Ų | 94.5 | 19% | 0.194 | 47% | 0.474 | C | S | . | . | trans | -61.7 | 84.5 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 106.4 | L273 D275 T279 | L273-V277 HydrophobicContact CD2-CG2 4.38Å; L273-V277 HydrophobicContact CG-CG2 4.4Å; D275-V277 PolarHBondContact O-N 2.79Å; V277-T279 WeakPolarHBondContact CG1-O 3.25Å | ||
| 278 | T | 62.2 | Low | 67.5 | Low | 118 Ų | 118 | 90 Ų | 90 | 72% | 0.724 | 46% | 0.46 | S | S | * | . | trans | -77.1 | -21.4 | -179.9 | 48 | 0 | 0 | 0 | 0 | 110.1 | R276 P280 | R276-T278 HydrophobicContact CB-CG2 3.98Å; R276-T278 WeakPolarHBondContact O-CG2 3.43Å; R276-T278 PolarHBondContact O-N 3.42Å; T278-P280 WeakPolarHBondContact O-CD 3.39Å | ||
| 279 | T | 79.8 | Confident | 69.9 | Low | 74 Ų | 74 | 92.2 Ų | 92.2 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -85.1 | 122.3 | 178.8 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | H259 V277 I281 | H259-T279 PolarHBondContact NE2-OG1 3.5Å; V277-T279 WeakPolarHBondContact CG1-O 3.25Å; T279-I281 PolarHBondContact O-N 3.23Å |
| 280 | P | 89.1 | Confident | 72.4 | Confident | 35 Ų | 35 | 90.9 Ų | 90.9 | 23% | 0.227 | 45% | 0.45 | C | S | . | . | trans | -60.7 | 135.7 | 173.5 | -19.8 | 30.3 | 0 | 0 | 0 | 111.4 | T278 H282 Y348 T363 | T278-P280 WeakPolarHBondContact O-CD 3.39Å; P280-H282 PolarHBondContact O-N 3.31Å; P280-Y348 HydrophobicContact CB-CD1 4.48Å; P280-Y348 HydrophobicContact CB-CE1 4.27Å; P280-Y348 HydrophobicContact CG-CD1 4.28Å; P280-Y348 HydrophobicContact CG-CE1 3.78Å; P280-T363 CarbonylContact C-O 3.58Å; P280-T363 WeakPolarHBondContact CA-O 3.36Å; P280-T363 HydrophobicContact CB-CG2 4.3Å; P280-T363 HydrophobicContact CG-CG2 4.49Å | ||
| 281 | I | 91.5 | Very high | 74.9 | Confident | 8 Ų | 8 | 83.8 Ų | 83.8 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.8 | 171.6 | -59.8 | 165.8 | 0 | 0 | 0 | 107.9 | T255 H259 T279 V283 T363 F364 Y365 | T255-I281 HydrophobicContact CG2-CD1 3.99Å; T255-I281 WeakPolarHBondContact OG1-CD1 3.48Å; H259-I281 HydrophobicContact CB-CG1 4.39Å; T279-I281 PolarHBondContact O-N 3.23Å; I281-V283 HydrophobicContact CG2-CG2 4.28Å; I281-V283 PolarHBondContact O-N 2.82Å; I281-T363 PolarHBondContact N-O 2.86Å; I281-F364 HydrophobicContact CB-CD1 3.79Å; I281-F364 HydrophobicContact CB-CE1 4.3Å; I281-F364 HydrophobicContact CD1-CD1 4.16Å; I281-F364 HydrophobicContact CD1-CE1 3.84Å; I281-F364 HydrophobicContact CD1-CZ 4.47Å; I281-F364 HydrophobicContact CG2-CD1 4.03Å; I281-F364 HydrophobicContact CG2-CE1 4.39Å; I281-F364 CarbonylContact O-C 3.28Å; I281-F364 VanDerWaalsContact O-CA 3.22Å; I281-F364 WeakPolarHBondContact O-CA 3.31Å; I281-Y365 PolarHBondContact O-N 3.48Å |
| 282 | H | 92.6 | Very high | 77.5 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.5 | 178.2 | -70.3 | -79.8 | 0 | 0 | 0 | 111.1 | P280 Y284 Y365 H367 | P280-H282 PolarHBondContact O-N 3.31Å; H282-Y284 HydrophobicContact CB-CE2 4.31Å; H282-Y365 AromaticContact ND1-CD1 3.96Å; H282-H367 AromaticContact CE1-NE2 3.94Å; H282-H367 AromaticContact CG-NE2 3.83Å; H282-H367 AromaticContact ND1-CD2 3.89Å; H282-H367 AromaticContact ND1-CE1 3.96Å; H282-H367 AromaticContact ND1-NE2 3.03Å; H282-H367 PolarHBondContact ND1-NE2 3.44Å |
| 283 | V | 93.3 | Very high | 80 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.4 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | P257 I281 L291 L293 F364 Y365 V366 H367 | P257-V283 HydrophobicContact CB-CG2 4.41Å; P257-V283 HydrophobicContact CG-CB 4.48Å; P257-V283 HydrophobicContact CG-CG1 3.94Å; P257-V283 HydrophobicContact CG-CG2 3.81Å; I281-V283 HydrophobicContact CG2-CG2 4.28Å; I281-V283 PolarHBondContact O-N 2.82Å; V283-L291 HydrophobicContact CG1-CD1 3.73Å; V283-L291 HydrophobicContact CG1-CD2 3.95Å; V283-L291 HydrophobicContact CG1-CG 4.4Å; V283-L293 HydrophobicContact CB-CD2 4.37Å; V283-L293 HydrophobicContact CG1-CD2 4.1Å; V283-L293 HydrophobicContact CG2-CD2 3.94Å; V283-F364 HydrophobicContact CG2-CB 4.34Å; V283-F364 HydrophobicContact CG2-CD1 3.91Å; V283-Y365 PolarHBondContact N-O 2.86Å; V283-V366 HydrophobicContact CB-CG2 4.48Å; V283-V366 CarbonylContact O-C 3.52Å; V283-V366 WeakPolarHBondContact O-CA 3.41Å; V283-H367 PolarHBondContact O-N 2.81Å |
| 284 | Y | 93.1 | Very high | 82.1 | Confident | 145 Ų | 145 | 69 Ų | 69 | 57% | 0.569 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.6 | 179.9 | -63.4 | -90.5 | 0 | 0 | 0 | 109.7 | H282 H367 | H282-Y284 HydrophobicContact CB-CE2 4.31Å; Y284-H367 HydrophobicContact CD1-CB 3.56Å; Y284-H367 AromaticContact CD1-CD2 3.85Å; Y284-H367 AromaticContact CD1-CG 3.87Å; Y284-H367 HydrophobicContact CE1-CB 3.87Å; Y284-H367 AromaticContact CE1-CD2 3.44Å; Y284-H367 VanDerWaalsContact CE1-CD2 3.44Å; Y284-H367 WeakPolarHBondContact CE1-CD2 3.3Å; Y284-H367 AromaticContact CE1-CG 3.64Å; Y284-H367 AromaticContact CE1-NE2 3.95Å; Y284-H367 HydrophobicContact CG-CB 4.32Å; Y284-H367 AromaticContact CZ-CD2 3.63Å; Y284-H367 AromaticContact CZ-NE2 3.91Å |
| 285 | G | 91.6 | Very high | 84.3 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H367 Q369 | G285-H367 PolarHBondContact N-O 3.32Å; G285-Q369 PolarHBondContact O-N 3.36Å |
| 286 | I | 91.6 | Very high | 86.6 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 43% | 0.426 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.7 | 176 | -58.9 | 170.1 | 0 | 0 | 0 | 107.9 | G288 E289 Q369 P371 | I286-G288 PolarHBondContact O-N 3.31Å; I286-E289 HydrophobicContact CB-CB 4.31Å; I286-E289 HydrophobicContact CB-CG 3.9Å; I286-E289 HydrophobicContact CG2-CG 4.25Å; I286-E289 WeakPolarHBondContact O-CB 3.5Å; I286-E289 PolarHBondContact O-N 2.54Å; I286-Q369 WeakPolarHBondContact CA-O 3.23Å; I286-P371 HydrophobicContact CG2-CB 4.37Å; I286-P371 HydrophobicContact CG2-CG 4.5Å |
| 287 | E | 91.3 | Very high | 88.5 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.5 | 176 | -175.9 | 177 | -156.8 | 0 | 0 | 110.5 | L340 V368 Q369 K370 P371 | E287-L340 CarbonylContact C-O 3.51Å; E287-L340 WeakPolarHBondContact CA-O 3.42Å; E287-V368 HydrophobicContact CB-CG1 3.96Å; E287-Q369 WeakPolarHBondContact CB-O 3.47Å; E287-Q369 PolarHBondContact N-O 3.22Å; E287-K370 WeakPolarHBondContact OE2-CG 3.29Å; E287-P371 HydrophobicContact CB-CG 4.43Å |
| 288 | G | 88.8 | Confident | 89.9 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -13.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I286 L340 | I286-G288 PolarHBondContact O-N 3.31Å; G288-L340 PolarHBondContact N-O 3.05Å |
| 289 | E | 91.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 44 Ų | 44 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -87 | 162.4 | 175 | -68.8 | -68.4 | 159.9 | 0 | 0 | 111.9 | I286 Q339 L340 | I286-E289 HydrophobicContact CB-CB 4.31Å; I286-E289 HydrophobicContact CB-CG 3.9Å; I286-E289 HydrophobicContact CG2-CG 4.25Å; I286-E289 WeakPolarHBondContact O-CB 3.5Å; I286-E289 PolarHBondContact O-N 2.54Å; E289-Q339 WeakPolarHBondContact O-CA 3.42Å; E289-L340 WeakPolarHBondContact O-CG 3.34Å; E289-L340 PolarHBondContact O-N 2.75Å |
| 290 | N | 92.6 | Very high | 90 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 49% | 0.492 | 22% | 0.223 | S | C | . | . | trans | -87.1 | 143.2 | 174.6 | -62.5 | -27.7 | 0 | 0 | 0 | 110.8 | F336 F337 Q339 | N290-F336 HydrophobicContact CB-CE2 4.02Å; N290-F336 HydrophobicContact CB-CZ 3.92Å; N290-F337 WeakPolarHBondContact CA-O 3.48Å; N290-Q339 PolarHBondContact OD1-N 2.83Å; N290-Q339 VanDerWaalsContact OD1-N 3.1Å | ||
| 291 | L | 93.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.9 | 175.7 | -179.5 | 67.9 | 0 | 0 | 0 | 110.1 | V283 L293 F337 L340 V366 | V283-L291 HydrophobicContact CG1-CD1 3.73Å; V283-L291 HydrophobicContact CG1-CD2 3.95Å; V283-L291 HydrophobicContact CG1-CG 4.4Å; L291-L293 HydrophobicContact CD2-CD2 4.43Å; L291-F337 HydrophobicContact CB-CB 4.19Å; L291-F337 HydrophobicContact CB-CD2 4.05Å; L291-F337 HydrophobicContact CB-CG 4.41Å; L291-F337 HydrophobicContact CD2-CD2 4.25Å; L291-F337 HydrophobicContact CD2-CE2 4.47Å; L291-F337 HydrophobicContact CG-CD2 4.24Å; L291-F337 PolarHBondContact N-O 3.4Å; L291-F337 WeakPolarHBondContact O-CD2 3.19Å; L291-F337 PolarHBondContact O-N 3.45Å; L291-L340 HydrophobicContact CB-CD1 3.76Å; L291-L340 HydrophobicContact CB-CD2 4.04Å; L291-L340 HydrophobicContact CB-CG 4.02Å; L291-L340 HydrophobicContact CD2-CD1 4.2Å; L291-L340 HydrophobicContact CD2-CD2 4.1Å; L291-V366 HydrophobicContact CD2-CG1 3.66Å; L291-V366 HydrophobicContact CD2-CG2 4.09Å |
| 292 | T | 94.5 | Very high | 87.4 | Confident | 58 Ų | 58 | 51 Ų | 51 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.8 | 174.4 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | V294 L335 F336 | T292-V294 HydrophobicContact CG2-CG2 3.89Å; T292-L335 WeakPolarHBondContact CA-O 3.46Å; T292-F336 WeakPolarHBondContact OG1-CD2 3.21Å |
| 293 | L | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139 | 167.9 | -54.1 | 177.8 | 0 | 0 | 0 | 108.8 | I256 V283 L291 W307 T334 L335 F337 Y349 F364 V366 | I256-L293 CarbonylContact O-C 3.59Å; I256-L293 WeakPolarHBondContact O-CA 3.27Å; V283-L293 HydrophobicContact CB-CD2 4.37Å; V283-L293 HydrophobicContact CG1-CD2 4.1Å; V283-L293 HydrophobicContact CG2-CD2 3.94Å; L291-L293 HydrophobicContact CD2-CD2 4.43Å; L293-W307 HydrophobicContact CB-CH2 3.79Å; L293-W307 HydrophobicContact CB-CZ3 4.12Å; L293-W307 HydrophobicContact CD1-CZ3 4.32Å; L293-T334 CarbonylContact O-C 3.51Å; L293-T334 VanDerWaalsContact O-CA 3.27Å; L293-T334 WeakPolarHBondContact O-CA 3.07Å; L293-L335 HydrophobicContact CB-CB 4.24Å; L293-L335 HydrophobicContact CD1-CD2 4.36Å; L293-L335 PolarHBondContact N-O 3.4Å; L293-L335 PolarHBondContact O-N 3.26Å; L293-F337 HydrophobicContact CD1-CE2 3.82Å; L293-F337 HydrophobicContact CD1-CZ 4.23Å; L293-F337 HydrophobicContact CG-CE2 3.93Å; L293-Y349 HydrophobicContact CD1-CD2 4.4Å; L293-Y349 HydrophobicContact CD1-CG 4.09Å; L293-F364 HydrophobicContact CB-CD2 4.48Å; L293-F364 HydrophobicContact CB-CE2 4.37Å; L293-F364 HydrophobicContact CD1-CB 4.12Å; L293-F364 HydrophobicContact CD1-CD2 4.08Å; L293-F364 HydrophobicContact CD1-CG 4.09Å; L293-F364 HydrophobicContact CD2-CB 4.49Å; L293-F364 HydrophobicContact CD2-CD1 4.06Å; L293-F364 HydrophobicContact CD2-CE1 4.49Å; L293-F364 HydrophobicContact CD2-CG 4.19Å; L293-V366 HydrophobicContact CD1-CG2 3.94Å; L293-V366 HydrophobicContact CD2-CG2 4.43Å |
| 294 | V | 94.5 | Very high | 86.1 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.1 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 110 | T255 I256 T292 T332 T333 T334 | T255-V294 CarbonylContact C-O 3.51Å; T255-V294 WeakPolarHBondContact CA-O 3.39Å; I256-V294 HydrophobicContact CB-CB 3.74Å; I256-V294 HydrophobicContact CB-CG2 3.94Å; I256-V294 HydrophobicContact CD1-CB 4.19Å; I256-V294 HydrophobicContact CD1-CG1 4.34Å; I256-V294 HydrophobicContact CD1-CG2 4.24Å; I256-V294 HydrophobicContact CG1-CB 4Å; I256-V294 HydrophobicContact CG1-CG1 4.44Å; I256-V294 HydrophobicContact CG1-CG2 4.4Å; I256-V294 PolarHBondContact N-O 3.28Å; I256-V294 PolarHBondContact O-N 2.84Å; T292-V294 HydrophobicContact CG2-CG2 3.89Å; V294-T332 HydrophobicContact CG1-CG2 3.18Å; V294-T333 WeakPolarHBondContact CA-O 3.42Å; V294-T334 HydrophobicContact CG1-CG2 4.28Å; V294-T334 HydrophobicContact CG2-CG2 4.08Å |
| 295 | C | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.3 | 167 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | L252 F297 T332 T333 C351 F364 | L252-C295 HydrophobicContact CD1-CB 4.29Å; C295-F297 HydrophobicContact CB-CD2 4.2Å; C295-F297 HydrophobicContact CB-CE2 3.49Å; C295-F297 VanDerWaalsContact CB-CE2 3.49Å; C295-F297 HydrophobicContact CB-CZ 3.99Å; C295-T332 CarbonylContact O-C 3.5Å; C295-T332 WeakPolarHBondContact O-CA 3.07Å; C295-T333 HydrophobicContact CB-CG2 3.9Å; C295-T333 PolarHBondContact N-O 3.16Å; C295-T333 PolarHBondContact O-N 2.83Å; C295-C351 HydrophobicContact CB-CB 3.69Å; C295-C351 WeakPolarHBondContact CB-SG 3.18Å; C295-C351 WeakPolarHBondContact SG-CB 3.39Å; C295-C351 CovalentContact SG-SG 2Å; C295-C351 PolarHBondContact SG-SG 2.87Å; C295-F364 WeakPolarHBondContact SG-CE2 3.45Å |
| 296 | S | 92.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.8 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | M253 H254 F331 T332 | M253-S296 PolarHBondContact N-O 3.41Å; H254-S296 WeakPolarHBondContact CD2-CB 3.37Å; H254-S296 PolarHBondContact CE1-OG 3.04Å; H254-S296 PolarHBondContact N-O 2.81Å; H254-S296 WeakPolarHBondContact NE2-CB 3.45Å; H254-S296 PolarHBondContact NE2-OG 3.07Å; H254-S296 PolarHBondContact O-N 2.6Å; S296-F331 CarbonylContact C-O 3.52Å; S296-F331 WeakPolarHBondContact CA-O 3.39Å; S296-T332 PolarHBondContact OG-OG1 2.72Å |
| 297 | F | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 155.4 | 179.1 | -61.1 | -87.8 | 0 | 0 | 0 | 110.5 | E251 L252 C295 K330 F331 T333 C351 A353 A360 | E251-F297 CarbonylContact O-C 3.57Å; E251-F297 WeakPolarHBondContact O-CA 3.45Å; L252-F297 HydrophobicContact CB-CD1 4.06Å; L252-F297 HydrophobicContact CB-CE1 3.99Å; L252-F297 HydrophobicContact CD1-CD1 3.9Å; L252-F297 HydrophobicContact CD1-CE1 3.5Å; L252-F297 HydrophobicContact CD1-CE2 4.41Å; L252-F297 HydrophobicContact CD1-CG 4.49Å; L252-F297 HydrophobicContact CD1-CZ 3.81Å; L252-F297 HydrophobicContact CG-CE1 4.34Å; C295-F297 HydrophobicContact CB-CD2 4.2Å; C295-F297 HydrophobicContact CB-CE2 3.49Å; C295-F297 VanDerWaalsContact CB-CE2 3.49Å; C295-F297 HydrophobicContact CB-CZ 3.99Å; F297-K330 WeakPolarHBondContact O-CA 3.46Å; F297-F331 HydrophobicContact CB-CD2 4.37Å; F297-F331 HydrophobicContact CB-CE1 4.02Å; F297-F331 HydrophobicContact CB-CE2 3.6Å; F297-F331 HydrophobicContact CB-CZ 3.4Å; F297-F331 HydrophobicContact CD2-CD2 4.42Å; F297-F331 AromaticContact CD2-CE2 3.59Å; F297-F331 HydrophobicContact CD2-CE2 3.59Å; F297-F331 HydrophobicContact CD2-CZ 4.14Å; F297-F331 AromaticContact CG-CE2 3.98Å; F297-F331 HydrophobicContact CG-CE2 3.98Å; F297-F331 HydrophobicContact CG-CZ 4.07Å; F297-F331 PolarHBondContact N-O 3Å; F297-F331 PolarHBondContact O-N 2.88Å; F297-T333 HydrophobicContact CE2-CG2 4.13Å; F297-C351 HydrophobicContact CE2-CB 4.38Å; F297-C351 HydrophobicContact CZ-CB 4.42Å; F297-A353 HydrophobicContact CB-CB 4.24Å; F297-A353 HydrophobicContact CD1-CB 3.38Å; F297-A353 HydrophobicContact CD2-CB 3.84Å; F297-A353 HydrophobicContact CE1-CB 3.49Å; F297-A353 VanDerWaalsContact CE1-CB 3.49Å; F297-A353 HydrophobicContact CE2-CB 3.92Å; F297-A353 HydrophobicContact CG-CB 3.56Å; F297-A353 HydrophobicContact CZ-CB 3.75Å; F297-A360 HydrophobicContact CD1-CB 3.88Å; F297-A360 HydrophobicContact CE1-CB 3.77Å; F297-A360 WeakPolarHBondContact CE1-O 3.36Å |
| 298 | I | 85 | Confident | 86 | Confident | 49 Ų | 49 | 46 Ų | 46 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.6 | 166.1 | -171 | 168.1 | 0 | 0 | 0 | 109.4 | E251 M253 I329 K330 | E251-I298 HydrophobicContact CB-CG2 3.64Å; E251-I298 HydrophobicContact CG-CG2 4.12Å; E251-I298 PolarHBondContact N-O 3.41Å; E251-I298 VanDerWaalsContact N-O 3.07Å; E251-I298 PolarHBondContact O-N 3.26Å; M253-I298 HydrophobicContact CG-CB 4.05Å; M253-I298 HydrophobicContact CG-CG2 4.04Å; M253-I298 HydrophobicContact SD-CB 3.87Å; M253-I298 HydrophobicContact SD-CG2 4.44Å; I298-I329 WeakPolarHBondContact CA-O 3.41Å; I298-K330 HydrophobicContact CB-CG 4.49Å; I298-K330 HydrophobicContact CD1-CG 4.2Å; I298-K330 HydrophobicContact CG1-CG 4.18Å |
| 299 | S | 75 | Confident | 86.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -162.3 | 142 | 172.9 | 173 | 0 | 0 | 0 | 0 | 112 | P301 M303 I329 | S299-P301 PolarHBondContact OG-O 2.5Å; S299-P301 VanDerWaalsContact OG-O 3.06Å; S299-M303 VanDerWaalsContact OG-CE 3.23Å; S299-M303 WeakPolarHBondContact OG-CE 3.28Å; S299-I329 PolarHBondContact N-O 2.62Å | ||
| 300 | E | 69.1 | Low | 86.4 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -126.7 | 121.4 | 175.7 | -66 | -171.9 | 178.2 | 0 | 0 | 110.2 | L203 Q247 I329 | L203-E300 HydrophobicContact CD2-CB 4.08Å; Q247-E300 WeakPolarHBondContact CB-O 3.21Å; E300-I329 HydrophobicContact CG-CB 4.05Å; E300-I329 HydrophobicContact CG-CG2 3.84Å; E300-I329 WeakPolarHBondContact OE1-CD1 3.47Å |
| 301 | P | 66.4 | Low | 86.3 | Confident | 50 Ų | 50 | 42.5 Ų | 42.5 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -79.5 | -173.3 | -8.8 | 37.4 | -35.7 | 0 | 0 | 0 | 112.6 | Q247 S299 M303 | Q247-P301 HydrophobicContact CG-CG 4.4Å; S299-P301 PolarHBondContact OG-O 2.5Å; S299-P301 VanDerWaalsContact OG-O 3.06Å; P301-M303 PolarHBondContact O-N 3.23Å |
| 302 | K | 58.8 | Low | 86.3 | Confident | 170 Ų | 170 | 46.8 Ų | 46.8 | 74% | 0.739 | 24% | 0.243 | S | C | * | . | trans | -50.7 | 133.9 | 176 | -173.5 | 179 | 179 | -177.7 | 0 | 111.4 | ||||
| 303 | M | 73.6 | Confident | 86.2 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -115.8 | -176.7 | -168.1 | 70.3 | 156.5 | 80.5 | 0 | 0 | 113.5 | P250 S299 P301 I305 F331 A353 S354 | P250-M303 HydrophobicContact CB-CE 3.48Å; P250-M303 VanDerWaalsContact CB-CE 3.48Å; P250-M303 HydrophobicContact CB-SD 4.36Å; P250-M303 HydrophobicContact CG-CE 3.5Å; P250-M303 VanDerWaalsContact CG-CE 3.5Å; P250-M303 HydrophobicContact CG-SD 4.15Å; S299-M303 VanDerWaalsContact OG-CE 3.23Å; S299-M303 WeakPolarHBondContact OG-CE 3.28Å; P301-M303 PolarHBondContact O-N 3.23Å; M303-I305 HydrophobicContact CG-CG1 4.03Å; M303-I305 HydrophobicContact SD-CG1 4.33Å; M303-F331 HydrophobicContact CE-CE1 3.68Å; M303-F331 HydrophobicContact CE-CZ 3.45Å; M303-F331 VanDerWaalsContact CE-CZ 3.45Å; M303-F331 HydrophobicContact CG-CE1 3.85Å; M303-F331 HydrophobicContact CG-CZ 3.6Å; M303-F331 HydrophobicContact SD-CE1 4.16Å; M303-F331 HydrophobicContact SD-CE2 4.47Å; M303-F331 HydrophobicContact SD-CZ 3.5Å; M303-F331 VanDerWaalsContact SD-CZ 3.5Å; M303-A353 HydrophobicContact CE-CB 3.75Å; M303-A353 WeakPolarHBondContact SD-CA 3.34Å; M303-A353 HydrophobicContact SD-CB 3.17Å; M303-A353 WeakPolarHBondContact SD-CB 3.31Å; M303-S354 WeakPolarHBondContact CB-O 3.36Å; M303-S354 PolarHBondContact SD-N 2.95Å | ||
| 304 | Y | 84.5 | Confident | 86 | Confident | 164 Ų | 164 | 46.9 Ų | 46.9 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.4 | 170.6 | -131.4 | -92.5 | 0 | 0 | 0 | 110.6 | Q306 S354 | Y304-Q306 HydrophobicContact CD1-CG 4.02Å; Y304-Q306 HydrophobicContact CE1-CG 4.4Å; Y304-S354 PolarHBondContact N-O 2.86Å; Y304-S354 PolarHBondContact O-N 2.69Å; Y304-S354 VanDerWaalsContact O-N 3.09Å; Y304-S354 PolarHBondContact O-OG 3.03Å |
| 305 | I | 88.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.6 | -179.6 | -58.8 | 158.2 | 0 | 0 | 0 | 108.5 | M303 I325 F331 T333 Q352 | M303-I305 HydrophobicContact CG-CG1 4.03Å; M303-I305 HydrophobicContact SD-CG1 4.33Å; I305-I325 HydrophobicContact CB-CD1 3.97Å; I305-I325 HydrophobicContact CD1-CB 4.47Å; I305-I325 HydrophobicContact CD1-CD1 3.97Å; I305-I325 HydrophobicContact CD1-CG1 4.17Å; I305-I325 HydrophobicContact CD1-CG2 3.45Å; I305-I325 VanDerWaalsContact CD1-CG2 3.45Å; I305-I325 HydrophobicContact CG2-CD1 4.14Å; I305-I325 HydrophobicContact CG2-CG1 4.41Å; I305-F331 HydrophobicContact CD1-CD2 3.2Å; I305-F331 HydrophobicContact CD1-CE1 4.46Å; I305-F331 HydrophobicContact CD1-CE2 3.09Å; I305-F331 HydrophobicContact CD1-CG 3.96Å; I305-F331 HydrophobicContact CD1-CZ 3.78Å; I305-F331 HydrophobicContact CG1-CD2 4.06Å; I305-F331 HydrophobicContact CG1-CE2 3.4Å; I305-F331 HydrophobicContact CG1-CZ 3.85Å; I305-T333 HydrophobicContact CG2-CG2 3.88Å; I305-Q352 WeakPolarHBondContact CA-O 3.07Å |
| 306 | Q | 91 | Very high | 84.7 | Confident | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 143 | -176.7 | -71.6 | 179.7 | -41.5 | 0 | 0 | 110.7 | Y304 F308 L313 Q352 | Y304-Q306 HydrophobicContact CD1-CG 4.02Å; Y304-Q306 HydrophobicContact CE1-CG 4.4Å; Q306-F308 HydrophobicContact CB-CD2 4.5Å; Q306-F308 HydrophobicContact CB-CE2 3.71Å; Q306-F308 HydrophobicContact CB-CZ 4.12Å; Q306-L313 HydrophobicContact CB-CD1 3.57Å; Q306-L313 HydrophobicContact CG-CD1 3.7Å; Q306-Q352 PolarHBondContact N-O 3.06Å; Q306-Q352 PolarHBondContact O-N 2.85Å |
| 307 | W | 93.7 | Very high | 83.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.8 | 167.9 | -76.2 | 89.7 | 0 | 0 | 0 | 110.2 | L293 I314 T333 L335 K350 C351 F364 | L293-W307 HydrophobicContact CB-CH2 3.79Å; L293-W307 HydrophobicContact CB-CZ3 4.12Å; L293-W307 HydrophobicContact CD1-CZ3 4.32Å; W307-I314 HydrophobicContact CB-CB 4.37Å; W307-I314 HydrophobicContact CB-CD1 3.89Å; W307-I314 HydrophobicContact CB-CG1 4.28Å; W307-I314 PolarHBondContact O-N 3.13Å; W307-T333 HydrophobicContact CZ2-CG2 3.87Å; W307-T333 PolarHBondContact NE1-OG1 2.75Å; W307-L335 HydrophobicContact CB-CD1 4.3Å; W307-L335 HydrophobicContact CD2-CB 3.91Å; W307-L335 HydrophobicContact CD2-CD1 4.1Å; W307-L335 HydrophobicContact CD2-CD2 4.14Å; W307-L335 HydrophobicContact CD2-CG 4.29Å; W307-L335 HydrophobicContact CE3-CB 3.96Å; W307-L335 HydrophobicContact CE3-CD1 4.48Å; W307-L335 HydrophobicContact CE3-CD2 3.69Å; W307-L335 HydrophobicContact CE3-CG 4.26Å; W307-L335 HydrophobicContact CG-CD1 4.02Å; W307-L335 HydrophobicContact CH2-CB 3.78Å; W307-L335 HydrophobicContact CZ2-CB 3.75Å; W307-L335 HydrophobicContact CZ3-CB 3.89Å; W307-L335 HydrophobicContact CZ3-CD2 4.01Å; W307-K350 CarbonylContact C-O 3.56Å; W307-K350 WeakPolarHBondContact CA-O 3.43Å; W307-C351 HydrophobicContact CD2-CB 3.91Å; W307-C351 HydrophobicContact CE3-CB 3.83Å; W307-C351 HydrophobicContact CH2-CB 3.68Å; W307-C351 HydrophobicContact CZ2-CB 3.72Å; W307-C351 HydrophobicContact CZ3-CB 3.73Å; W307-F364 HydrophobicContact CH2-CE2 4.05Å; W307-F364 HydrophobicContact CZ3-CD2 4.22Å; W307-F364 HydrophobicContact CZ3-CE2 4.06Å |
| 308 | F | 94.4 | Very high | 83.2 | Confident | 36 Ų | 36 | 66 Ų | 66 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.8 | 175.8 | -58.5 | -101.7 | 0 | 0 | 0 | 109.8 | Q306 I312 L313 Y349 K350 Q352 | Q306-F308 HydrophobicContact CB-CD2 4.5Å; Q306-F308 HydrophobicContact CB-CE2 3.71Å; Q306-F308 HydrophobicContact CB-CZ 4.12Å; F308-I312 CarbonylContact C-O 3.43Å; F308-I312 WeakPolarHBondContact CA-O 3.46Å; F308-L313 HydrophobicContact CD1-CB 4.26Å; F308-L313 HydrophobicContact CE1-CB 4.16Å; F308-L313 HydrophobicContact CE1-CD1 4.24Å; F308-L313 HydrophobicContact CZ-CD1 4.2Å; F308-Y349 CarbonylContact O-C 3.51Å; F308-Y349 VanDerWaalsContact O-CA 3.26Å; F308-Y349 WeakPolarHBondContact O-CA 3.08Å; F308-K350 HydrophobicContact CB-CB 4.24Å; F308-K350 PolarHBondContact N-O 3.21Å; F308-K350 PolarHBondContact O-N 3.36Å; F308-Q352 HydrophobicContact CD2-CB 4.45Å; F308-Q352 HydrophobicContact CE2-CB 3.95Å |
| 309 | Y | 94.2 | Very high | 82.5 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 168.4 | 171.8 | -117.8 | 0 | 0 | 0 | 109 | G311 I312 W318 T344 E346 Y348 Y349 | Y309-G311 PolarHBondContact O-N 3.47Å; Y309-G311 VanDerWaalsContact O-N 3.07Å; Y309-I312 PolarHBondContact N-O 2.73Å; Y309-I312 PolarHBondContact O-N 3.46Å; Y309-W318 AromaticContact CD1-CH2 3.72Å; Y309-W318 HydrophobicContact CD1-CH2 3.72Å; Y309-W318 AromaticContact CD1-CZ3 3.61Å; Y309-W318 HydrophobicContact CD1-CZ3 3.61Å; Y309-W318 HydrophobicContact CG-CH2 4.29Å; Y309-W318 AromaticContact CG-CZ3 3.95Å; Y309-W318 HydrophobicContact CG-CZ3 3.95Å; Y309-T344 PolarHBondContact OH-O 2.89Å; Y309-T344 VanDerWaalsContact OH-O 3.12Å; Y309-E346 PolarHBondContact OH-O 3.04Å; Y309-Y348 CarbonylContact C-O 3.22Å; Y309-Y348 WeakPolarHBondContact CA-O 3.06Å; Y309-Y349 HydrophobicContact CD2-CD1 4.02Å; Y309-Y349 HydrophobicContact CD2-CD2 4.22Å; Y309-Y349 AromaticContact CD2-CE1 3.4Å; Y309-Y349 HydrophobicContact CD2-CE1 3.4Å; Y309-Y349 VanDerWaalsContact CD2-CE1 3.4Å; Y309-Y349 AromaticContact CD2-CE2 3.64Å; Y309-Y349 HydrophobicContact CD2-CE2 3.64Å; Y309-Y349 HydrophobicContact CD2-CG 4.4Å; Y309-Y349 AromaticContact CD2-CZ 3.19Å; Y309-Y349 WeakPolarHBondContact CD2-OH 3.26Å; Y309-Y349 HydrophobicContact CE2-CE1 4.21Å; Y309-Y349 AromaticContact CE2-CE2 3.79Å; Y309-Y349 HydrophobicContact CE2-CE2 3.79Å; Y309-Y349 AromaticContact CE2-CZ 3.52Å; Y309-Y349 VanDerWaalsContact CE2-OH 3.3Å; Y309-Y349 WeakPolarHBondContact CE2-OH 3.49Å; Y309-Y349 AromaticContact CG-CE1 3.94Å; Y309-Y349 HydrophobicContact CG-CE1 3.94Å |
| 310 | N | 93 | Very high | 82.6 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.2 | -175.8 | -67.9 | -29 | 0 | 0 | 0 | 113.3 | Y348 | N310-Y348 PolarHBondContact N-O 3.42Å; N310-Y348 PolarHBondContact OD1-N 3.06Å |
| 311 | G | 91.5 | Very high | 83.3 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 68% | 0.68 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -4.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y309 | Y309-G311 PolarHBondContact O-N 3.47Å; Y309-G311 VanDerWaalsContact O-N 3.07Å |
| 312 | I | 92.9 | Very high | 84.2 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.1 | -179.3 | -57 | 173.6 | 0 | 0 | 0 | 109.7 | F308 Y309 I314 | F308-I312 CarbonylContact C-O 3.43Å; F308-I312 WeakPolarHBondContact CA-O 3.46Å; Y309-I312 PolarHBondContact N-O 2.73Å; Y309-I312 PolarHBondContact O-N 3.46Å; I312-I314 PolarHBondContact O-N 3.02Å |
| 313 | L | 92.4 | Very high | 85.6 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 29% | 0.293 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 121.7 | 178 | -178.8 | 71 | 0 | 0 | 0 | 111 | Q306 F308 Q315 | Q306-L313 HydrophobicContact CB-CD1 3.57Å; Q306-L313 HydrophobicContact CG-CD1 3.7Å; F308-L313 HydrophobicContact CD1-CB 4.26Å; F308-L313 HydrophobicContact CE1-CB 4.16Å; F308-L313 HydrophobicContact CE1-CD1 4.24Å; F308-L313 HydrophobicContact CZ-CD1 4.2Å; L313-Q315 PolarHBondContact O-N 2.95Å; L313-Q315 PolarHBondContact O-NE2 3.15Å; L313-Q315 VanDerWaalsContact O-NE2 3.13Å |
| 314 | I | 91.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 120.4 | 176.8 | -58.1 | -176.8 | 0 | 0 | 0 | 108.7 | W307 I312 W318 Q323 L335 Y349 | W307-I314 HydrophobicContact CB-CB 4.37Å; W307-I314 HydrophobicContact CB-CD1 3.89Å; W307-I314 HydrophobicContact CB-CG1 4.28Å; W307-I314 PolarHBondContact O-N 3.13Å; I312-I314 PolarHBondContact O-N 3.02Å; I314-W318 HydrophobicContact CB-CE3 4.42Å; I314-W318 HydrophobicContact CG1-CE3 4.3Å; I314-W318 HydrophobicContact CG1-CZ3 4.03Å; I314-W318 HydrophobicContact CG2-CB 4.25Å; I314-W318 HydrophobicContact CG2-CD2 3.92Å; I314-W318 HydrophobicContact CG2-CE3 3.74Å; I314-W318 HydrophobicContact CG2-CG 4.15Å; I314-W318 HydrophobicContact CG2-CZ3 4.32Å; I314-Q323 PolarHBondContact O-NE2 2.97Å; I314-L335 HydrophobicContact CD1-CD1 4.02Å; I314-L335 HydrophobicContact CD1-CD2 3.87Å; I314-Y349 HydrophobicContact CD1-CD1 3.95Å; I314-Y349 HydrophobicContact CD1-CE1 4.06Å |
| 315 | Q | 84.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 149.8 | -179.4 | -60.1 | -58.7 | -46.8 | 0 | 0 | 111.2 | L313 H317 W318 | L313-Q315 PolarHBondContact O-N 2.95Å; L313-Q315 PolarHBondContact O-NE2 3.15Å; L313-Q315 VanDerWaalsContact O-NE2 3.13Å; Q315-H317 VanDerWaalsContact CB-NE2 3.35Å; Q315-H317 WeakPolarHBondContact CB-NE2 3.28Å; Q315-H317 PolarHBondContact O-N 3.05Å; Q315-W318 WeakPolarHBondContact O-CB 3.45Å; Q315-W318 PolarHBondContact O-N 2.91Å; Q315-W318 VanDerWaalsContact O-N 3.09Å |
| 316 | P | 75.4 | Confident | 86.5 | Confident | 127 Ų | 127 | 67.7 Ų | 67.7 | 83% | 0.825 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.7 | 178.1 | -25.1 | 33.7 | 0 | 0 | 0 | 114.7 | W318 | P316-W318 VanDerWaalsContact C-N 3.27Å; P316-W318 PolarHBondContact O-N 2.98Å |
| 317 | H | 74.7 | Confident | 85.9 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 66% | 0.662 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.8 | -179.4 | 70.2 | 60.4 | 0 | 0 | 0 | 114 | Q315 S319 | Q315-H317 VanDerWaalsContact CB-NE2 3.35Å; Q315-H317 WeakPolarHBondContact CB-NE2 3.28Å; Q315-H317 PolarHBondContact O-N 3.05Å; H317-S319 PolarHBondContact O-N 3.2Å |
| 318 | W | 78.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | trans | -76.2 | 91.3 | 178.5 | -73.8 | 32.3 | 0 | 0 | 0 | 108.8 | Y309 I314 Q315 P316 H320 V321 | Y309-W318 AromaticContact CD1-CH2 3.72Å; Y309-W318 HydrophobicContact CD1-CH2 3.72Å; Y309-W318 AromaticContact CD1-CZ3 3.61Å; Y309-W318 HydrophobicContact CD1-CZ3 3.61Å; Y309-W318 HydrophobicContact CG-CH2 4.29Å; Y309-W318 AromaticContact CG-CZ3 3.95Å; Y309-W318 HydrophobicContact CG-CZ3 3.95Å; I314-W318 HydrophobicContact CB-CE3 4.42Å; I314-W318 HydrophobicContact CG1-CE3 4.3Å; I314-W318 HydrophobicContact CG1-CZ3 4.03Å; I314-W318 HydrophobicContact CG2-CB 4.25Å; I314-W318 HydrophobicContact CG2-CD2 3.92Å; I314-W318 HydrophobicContact CG2-CE3 3.74Å; I314-W318 HydrophobicContact CG2-CG 4.15Å; I314-W318 HydrophobicContact CG2-CZ3 4.32Å; Q315-W318 WeakPolarHBondContact O-CB 3.45Å; Q315-W318 PolarHBondContact O-N 2.91Å; Q315-W318 VanDerWaalsContact O-N 3.09Å; P316-W318 VanDerWaalsContact C-N 3.27Å; P316-W318 PolarHBondContact O-N 2.98Å; W318-H320 PolarHBondContact O-N 2.88Å; W318-V321 PolarHBondContact O-N 3.2Å; W318-V321 VanDerWaalsContact O-N 3.1Å; W318-V321 VanDerWaalsContact O-O 3.07Å | ||
| 319 | S | 68.6 | Low | 83.6 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.2 | -170.3 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | H317 V321 | H317-S319 PolarHBondContact O-N 3.2Å; S319-V321 VanDerWaalsContact C-N 3.33Å |
| 320 | H | 77.1 | Confident | 83.1 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.4 | -179 | -63.4 | -77.6 | 0 | 0 | 0 | 113.3 | W318 K338 | W318-H320 PolarHBondContact O-N 2.88Å; H320-K338 PolarHBondContact O-N 3.22Å |
| 321 | V | 84.1 | Confident | 82.7 | Confident | 15 Ų | 15 | 76 Ų | 76 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.3 | -173.1 | -162 | 0 | 0 | 0 | 0 | 111.7 | W318 S319 L335 F336 F337 | W318-V321 PolarHBondContact O-N 3.2Å; W318-V321 VanDerWaalsContact O-N 3.1Å; W318-V321 VanDerWaalsContact O-O 3.07Å; S319-V321 VanDerWaalsContact C-N 3.33Å; V321-L335 HydrophobicContact CB-CD1 4.46Å; V321-L335 HydrophobicContact CG1-CD1 3.24Å; V321-L335 HydrophobicContact CG1-CD2 4.03Å; V321-L335 HydrophobicContact CG1-CG 3.32Å; V321-F336 CarbonylContact C-O 3.51Å; V321-F336 VanDerWaalsContact CA-O 3.3Å; V321-F336 WeakPolarHBondContact CA-O 3.46Å; V321-F337 HydrophobicContact CG1-CD1 4.38Å; V321-F337 HydrophobicContact CG1-CE1 4.29Å; V321-F337 HydrophobicContact CG1-CZ 4.48Å; V321-F337 HydrophobicContact CG2-CD1 3.92Å; V321-F337 HydrophobicContact CG2-CE1 3.95Å |
| 322 | I | 85.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 75 Ų | 75 | 45% | 0.451 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.1 | 179.8 | -56.7 | 174.6 | 0 | 0 | 0 | 109.3 | T324 F336 | I322-T324 HydrophobicContact CG2-CG2 4.15Å; I322-F336 HydrophobicContact CB-CB 4.27Å; I322-F336 HydrophobicContact CB-CD1 4.37Å; I322-F336 HydrophobicContact CD1-CD1 4.09Å; I322-F336 HydrophobicContact CG1-CD1 4.4Å; I322-F336 PolarHBondContact N-O 2.77Å; I322-F336 PolarHBondContact O-N 3.07Å |
| 323 | Q | 89.3 | Confident | 82.6 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.4 | 174.4 | -65.8 | -179.7 | 41 | 0 | 0 | 110.2 | I314 T334 L335 | I314-Q323 PolarHBondContact O-NE2 2.97Å; Q323-T334 WeakPolarHBondContact CA-O 3.27Å; Q323-L335 HydrophobicContact CG-CD1 3.56Å |
| 324 | T | 88.6 | Confident | 82.6 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152 | 169.2 | 86.7 | 0 | 0 | 0 | 0 | 111.1 | I322 T333 T334 | I322-T324 HydrophobicContact CG2-CG2 4.15Å; T324-T333 CarbonylContact O-C 3.56Å; T324-T333 WeakPolarHBondContact O-CA 3.14Å; T324-T333 PolarHBondContact O-OG1 3.31Å; T324-T334 PolarHBondContact N-O 2.83Å; T324-T334 PolarHBondContact O-N 3.15Å; T324-T334 PolarHBondContact OG1-OG1 3.42Å |
| 325 | I | 87.4 | Confident | 82.8 | Confident | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.415 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 122.1 | 179.8 | -63.2 | 164.5 | 0 | 0 | 0 | 107.8 | I305 F331 T332 | I305-I325 HydrophobicContact CB-CD1 3.97Å; I305-I325 HydrophobicContact CD1-CB 4.47Å; I305-I325 HydrophobicContact CD1-CD1 3.97Å; I305-I325 HydrophobicContact CD1-CG1 4.17Å; I305-I325 HydrophobicContact CD1-CG2 3.45Å; I305-I325 VanDerWaalsContact CD1-CG2 3.45Å; I305-I325 HydrophobicContact CG2-CD1 4.14Å; I305-I325 HydrophobicContact CG2-CG1 4.41Å; I325-F331 HydrophobicContact CG2-CD2 4.49Å; I325-T332 WeakPolarHBondContact CA-O 3.33Å |
| 326 | S | 87.5 | Confident | 83.2 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -73.2 | 149.3 | 175.7 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | F331 T332 | S326-F331 VanDerWaalsContact O-CB 3.27Å; S326-F331 WeakPolarHBondContact O-CB 3.41Å; S326-F331 WeakPolarHBondContact OG-CA 3.49Å; S326-T332 PolarHBondContact N-O 2.98Å; S326-T332 PolarHBondContact OG-N 3.08Å | ||
| 327 | P | 79.5 | Confident | 84 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 78% | 0.779 | 33% | 0.334 | S | S | * | . | trans | -77 | 148.9 | 175.4 | 31.7 | -34.6 | 0 | 0 | 0 | 111.7 | ||||
| 328 | G | 69.7 | Low | 84.6 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 133.1 | -175.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 329 | I | 70.9 | Confident | 85.1 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -80.6 | -28.8 | 170.2 | 55.2 | 168.8 | 0 | 0 | 0 | 112.1 | I298 S299 E300 | I298-I329 WeakPolarHBondContact CA-O 3.41Å; S299-I329 PolarHBondContact N-O 2.62Å; E300-I329 HydrophobicContact CG-CB 4.05Å; E300-I329 HydrophobicContact CG-CG2 3.84Å; E300-I329 WeakPolarHBondContact OE1-CD1 3.47Å |
| 330 | K | 81.9 | Confident | 86.1 | Confident | 118 Ų | 118 | 58.4 Ų | 58.4 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 108.1 | 166.2 | -65.5 | 178.2 | -178.8 | 177.2 | 0 | 106.1 | M253 F297 I298 | M253-K330 HydrophobicContact CE-CD 4.16Å; M253-K330 HydrophobicContact SD-CB 4.38Å; M253-K330 HydrophobicContact SD-CD 4.08Å; M253-K330 HydrophobicContact SD-CG 3.93Å; F297-K330 WeakPolarHBondContact O-CA 3.46Å; I298-K330 HydrophobicContact CB-CG 4.49Å; I298-K330 HydrophobicContact CD1-CG 4.2Å; I298-K330 HydrophobicContact CG1-CG 4.18Å |
| 331 | F | 84.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.8 | -179.3 | 60.5 | -91.1 | 0 | 0 | 0 | 110.1 | S296 F297 M303 I305 I325 S326 A353 | S296-F331 CarbonylContact C-O 3.52Å; S296-F331 WeakPolarHBondContact CA-O 3.39Å; F297-F331 HydrophobicContact CB-CD2 4.37Å; F297-F331 HydrophobicContact CB-CE1 4.02Å; F297-F331 HydrophobicContact CB-CE2 3.6Å; F297-F331 HydrophobicContact CB-CZ 3.4Å; F297-F331 HydrophobicContact CD2-CD2 4.42Å; F297-F331 AromaticContact CD2-CE2 3.59Å; F297-F331 HydrophobicContact CD2-CE2 3.59Å; F297-F331 HydrophobicContact CD2-CZ 4.14Å; F297-F331 AromaticContact CG-CE2 3.98Å; F297-F331 HydrophobicContact CG-CE2 3.98Å; F297-F331 HydrophobicContact CG-CZ 4.07Å; F297-F331 PolarHBondContact N-O 3Å; F297-F331 PolarHBondContact O-N 2.88Å; M303-F331 HydrophobicContact CE-CE1 3.68Å; M303-F331 HydrophobicContact CE-CZ 3.45Å; M303-F331 VanDerWaalsContact CE-CZ 3.45Å; M303-F331 HydrophobicContact CG-CE1 3.85Å; M303-F331 HydrophobicContact CG-CZ 3.6Å; M303-F331 HydrophobicContact SD-CE1 4.16Å; M303-F331 HydrophobicContact SD-CE2 4.47Å; M303-F331 HydrophobicContact SD-CZ 3.5Å; M303-F331 VanDerWaalsContact SD-CZ 3.5Å; I305-F331 HydrophobicContact CD1-CD2 3.2Å; I305-F331 HydrophobicContact CD1-CE1 4.46Å; I305-F331 HydrophobicContact CD1-CE2 3.09Å; I305-F331 HydrophobicContact CD1-CG 3.96Å; I305-F331 HydrophobicContact CD1-CZ 3.78Å; I305-F331 HydrophobicContact CG1-CD2 4.06Å; I305-F331 HydrophobicContact CG1-CE2 3.4Å; I305-F331 HydrophobicContact CG1-CZ 3.85Å; I325-F331 HydrophobicContact CG2-CD2 4.49Å; S326-F331 VanDerWaalsContact O-CB 3.27Å; S326-F331 WeakPolarHBondContact O-CB 3.41Å; S326-F331 WeakPolarHBondContact OG-CA 3.49Å; F331-A353 HydrophobicContact CZ-CB 4.37Å |
| 332 | T | 90.5 | Very high | 87.1 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.6 | -178.5 | -60.9 | 0 | 0 | 0 | 0 | 106.2 | V294 C295 S296 I325 S326 T334 | V294-T332 HydrophobicContact CG1-CG2 3.18Å; C295-T332 CarbonylContact O-C 3.5Å; C295-T332 WeakPolarHBondContact O-CA 3.07Å; S296-T332 PolarHBondContact OG-OG1 2.72Å; I325-T332 WeakPolarHBondContact CA-O 3.33Å; S326-T332 PolarHBondContact N-O 2.98Å; S326-T332 PolarHBondContact OG-N 3.08Å; T332-T334 HydrophobicContact CG2-CG2 4.24Å |
| 333 | T | 92.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.8 | 171.3 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | V294 C295 F297 I305 W307 T324 C351 | V294-T333 WeakPolarHBondContact CA-O 3.42Å; C295-T333 HydrophobicContact CB-CG2 3.9Å; C295-T333 PolarHBondContact N-O 3.16Å; C295-T333 PolarHBondContact O-N 2.83Å; F297-T333 HydrophobicContact CE2-CG2 4.13Å; I305-T333 HydrophobicContact CG2-CG2 3.88Å; W307-T333 HydrophobicContact CZ2-CG2 3.87Å; W307-T333 PolarHBondContact NE1-OG1 2.75Å; T324-T333 CarbonylContact O-C 3.56Å; T324-T333 WeakPolarHBondContact O-CA 3.14Å; T324-T333 PolarHBondContact O-OG1 3.31Å; T333-C351 HydrophobicContact CG2-CB 4.32Å |
| 334 | T | 93.6 | Very high | 87.2 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.2 | -179.3 | 71 | 0 | 0 | 0 | 0 | 109.9 | L293 V294 Q323 T324 T332 | L293-T334 CarbonylContact O-C 3.51Å; L293-T334 VanDerWaalsContact O-CA 3.27Å; L293-T334 WeakPolarHBondContact O-CA 3.07Å; V294-T334 HydrophobicContact CG1-CG2 4.28Å; V294-T334 HydrophobicContact CG2-CG2 4.08Å; Q323-T334 WeakPolarHBondContact CA-O 3.27Å; T324-T334 PolarHBondContact N-O 2.83Å; T324-T334 PolarHBondContact O-N 3.15Å; T324-T334 PolarHBondContact OG1-OG1 3.42Å; T332-T334 HydrophobicContact CG2-CG2 4.24Å |
| 335 | L | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108.3 | 168.3 | -165 | 72.5 | 0 | 0 | 0 | 107.9 | T292 L293 W307 I314 V321 Q323 F337 Y349 | T292-L335 WeakPolarHBondContact CA-O 3.46Å; L293-L335 HydrophobicContact CB-CB 4.24Å; L293-L335 HydrophobicContact CD1-CD2 4.36Å; L293-L335 PolarHBondContact N-O 3.4Å; L293-L335 PolarHBondContact O-N 3.26Å; W307-L335 HydrophobicContact CB-CD1 4.3Å; W307-L335 HydrophobicContact CD2-CB 3.91Å; W307-L335 HydrophobicContact CD2-CD1 4.1Å; W307-L335 HydrophobicContact CD2-CD2 4.14Å; W307-L335 HydrophobicContact CD2-CG 4.29Å; W307-L335 HydrophobicContact CE3-CB 3.96Å; W307-L335 HydrophobicContact CE3-CD1 4.48Å; W307-L335 HydrophobicContact CE3-CD2 3.69Å; W307-L335 HydrophobicContact CE3-CG 4.26Å; W307-L335 HydrophobicContact CG-CD1 4.02Å; W307-L335 HydrophobicContact CH2-CB 3.78Å; W307-L335 HydrophobicContact CZ2-CB 3.75Å; W307-L335 HydrophobicContact CZ3-CB 3.89Å; W307-L335 HydrophobicContact CZ3-CD2 4.01Å; I314-L335 HydrophobicContact CD1-CD1 4.02Å; I314-L335 HydrophobicContact CD1-CD2 3.87Å; V321-L335 HydrophobicContact CB-CD1 4.46Å; V321-L335 HydrophobicContact CG1-CD1 3.24Å; V321-L335 HydrophobicContact CG1-CD2 4.03Å; V321-L335 HydrophobicContact CG1-CG 3.32Å; Q323-L335 HydrophobicContact CG-CD1 3.56Å; L335-F337 HydrophobicContact CD2-CE2 3.87Å; L335-F337 HydrophobicContact CD2-CZ 3.6Å; L335-F337 HydrophobicContact CG-CE2 4.09Å; L335-F337 HydrophobicContact CG-CZ 4.19Å; L335-Y349 HydrophobicContact CD2-CD1 3.4Å; L335-Y349 VanDerWaalsContact CD2-CD1 3.4Å; L335-Y349 HydrophobicContact CD2-CE1 3.9Å; L335-Y349 HydrophobicContact CD2-CG 4.21Å |
| 336 | F | 93.7 | Very high | 87.6 | Confident | 58 Ų | 58 | 56 Ų | 56 | 25% | 0.254 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.7 | -177.3 | 175.5 | -91.5 | 0 | 0 | 0 | 110.5 | N290 T292 V321 I322 K338 | N290-F336 HydrophobicContact CB-CE2 4.02Å; N290-F336 HydrophobicContact CB-CZ 3.92Å; T292-F336 WeakPolarHBondContact OG1-CD2 3.21Å; V321-F336 CarbonylContact C-O 3.51Å; V321-F336 VanDerWaalsContact CA-O 3.3Å; V321-F336 WeakPolarHBondContact CA-O 3.46Å; I322-F336 HydrophobicContact CB-CB 4.27Å; I322-F336 HydrophobicContact CB-CD1 4.37Å; I322-F336 HydrophobicContact CD1-CD1 4.09Å; I322-F336 HydrophobicContact CG1-CD1 4.4Å; I322-F336 PolarHBondContact N-O 2.77Å; I322-F336 PolarHBondContact O-N 3.07Å; F336-K338 HydrophobicContact CE1-CB 4.12Å |
| 337 | F | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.3 | 175.7 | -61.8 | -95.9 | 0 | 0 | 0 | 109.4 | N290 L291 L293 V321 L335 L340 D345 Y349 | N290-F337 WeakPolarHBondContact CA-O 3.48Å; L291-F337 HydrophobicContact CB-CB 4.19Å; L291-F337 HydrophobicContact CB-CD2 4.05Å; L291-F337 HydrophobicContact CB-CG 4.41Å; L291-F337 HydrophobicContact CD2-CD2 4.25Å; L291-F337 HydrophobicContact CD2-CE2 4.47Å; L291-F337 HydrophobicContact CG-CD2 4.24Å; L291-F337 PolarHBondContact N-O 3.4Å; L291-F337 WeakPolarHBondContact O-CD2 3.19Å; L291-F337 PolarHBondContact O-N 3.45Å; L293-F337 HydrophobicContact CD1-CE2 3.82Å; L293-F337 HydrophobicContact CD1-CZ 4.23Å; L293-F337 HydrophobicContact CG-CE2 3.93Å; V321-F337 HydrophobicContact CG1-CD1 4.38Å; V321-F337 HydrophobicContact CG1-CE1 4.29Å; V321-F337 HydrophobicContact CG1-CZ 4.48Å; V321-F337 HydrophobicContact CG2-CD1 3.92Å; V321-F337 HydrophobicContact CG2-CE1 3.95Å; L335-F337 HydrophobicContact CD2-CE2 3.87Å; L335-F337 HydrophobicContact CD2-CZ 3.6Å; L335-F337 HydrophobicContact CG-CE2 4.09Å; L335-F337 HydrophobicContact CG-CZ 4.19Å; F337-L340 HydrophobicContact CB-CD2 3.78Å; F337-L340 HydrophobicContact CB-CG 4.31Å; F337-L340 HydrophobicContact CD1-CD2 3.97Å; F337-L340 HydrophobicContact CG-CD2 3.85Å; F337-D345 HydrophobicContact CD1-CB 4.2Å; F337-D345 HydrophobicContact CE1-CB 4.32Å; F337-Y349 AromaticContact CE1-CE1 3.69Å; F337-Y349 HydrophobicContact CE1-CE1 3.69Å; F337-Y349 HydrophobicContact CE1-CE2 4.21Å; F337-Y349 AromaticContact CE1-CZ 3.48Å; F337-Y349 VanDerWaalsContact CE1-CZ 3.48Å; F337-Y349 WeakPolarHBondContact CE1-OH 3.38Å; F337-Y349 AromaticContact CZ-CD1 3.9Å; F337-Y349 HydrophobicContact CZ-CD1 3.9Å; F337-Y349 HydrophobicContact CZ-CD2 4.31Å; F337-Y349 AromaticContact CZ-CE1 3.47Å; F337-Y349 HydrophobicContact CZ-CE1 3.47Å; F337-Y349 VanDerWaalsContact CZ-CE1 3.47Å; F337-Y349 AromaticContact CZ-CE2 3.93Å; F337-Y349 HydrophobicContact CZ-CE2 3.93Å; F337-Y349 HydrophobicContact CZ-CG 4.28Å; F337-Y349 AromaticContact CZ-CZ 3.49Å; F337-Y349 VanDerWaalsContact CZ-CZ 3.49Å |
| 338 | K | 86 | Confident | 88.7 | Confident | 126 Ų | 126 | 53.9 Ų | 53.9 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -95.3 | 108 | 173.9 | -174.7 | -178.5 | 179.9 | -176.8 | 0 | 108.6 | H320 F336 | H320-K338 PolarHBondContact O-N 3.22Å; F336-K338 HydrophobicContact CE1-CB 4.12Å |
| 339 | Q | 88.6 | Confident | 89.9 | Confident | 127 Ų | 127 | 51.8 Ų | 51.8 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 54.6 | 92.6 | -175.2 | -59.7 | 179.2 | -26 | 0 | 0 | 112.4 | E289 N290 D341 | E289-Q339 WeakPolarHBondContact O-CA 3.42Å; N290-Q339 PolarHBondContact OD1-N 2.83Å; N290-Q339 VanDerWaalsContact OD1-N 3.1Å; Q339-D341 PolarHBondContact O-N 2.92Å |
| 340 | L | 91.1 | Very high | 91 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | trans | -55 | 130 | 179.6 | -77 | 169 | 0 | 0 | 0 | 112.1 | E287 G288 E289 L291 F337 D345 V366 V368 | E287-L340 CarbonylContact C-O 3.51Å; E287-L340 WeakPolarHBondContact CA-O 3.42Å; G288-L340 PolarHBondContact N-O 3.05Å; E289-L340 WeakPolarHBondContact O-CG 3.34Å; E289-L340 PolarHBondContact O-N 2.75Å; L291-L340 HydrophobicContact CB-CD1 3.76Å; L291-L340 HydrophobicContact CB-CD2 4.04Å; L291-L340 HydrophobicContact CB-CG 4.02Å; L291-L340 HydrophobicContact CD2-CD1 4.2Å; L291-L340 HydrophobicContact CD2-CD2 4.1Å; F337-L340 HydrophobicContact CB-CD2 3.78Å; F337-L340 HydrophobicContact CB-CG 4.31Å; F337-L340 HydrophobicContact CD1-CD2 3.97Å; F337-L340 HydrophobicContact CG-CD2 3.85Å; L340-D345 WeakPolarHBondContact CA-OD2 3.27Å; L340-D345 HydrophobicContact CD2-CB 4.12Å; L340-V366 HydrophobicContact CD2-CG1 4.48Å; L340-V368 HydrophobicContact CB-CG1 4.28Å; L340-V368 HydrophobicContact CD2-CG2 4.44Å | ||
| 341 | D | 91 | Very high | 91.6 | Very high | 50 Ų | 50 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | trans | -110.9 | 130.8 | 170.6 | 177.7 | 87.5 | 0 | 0 | 0 | 110.6 | Q339 T343 T344 D345 | Q339-D341 PolarHBondContact O-N 2.92Å; D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.22Å; D341-T343 WeakPolarHBondContact OD2-CA 3.31Å; D341-T343 WeakPolarHBondContact OD2-CB 3.5Å; D341-T343 PolarHBondContact OD2-N 2.92Å; D341-T343 PolarHBondContact OD2-OG1 3.13Å; D341-T344 WeakPolarHBondContact CB-OG1 3.08Å; D341-T344 PolarHBondContact OD2-N 3.04Å; D341-T344 PolarHBondContact OD2-OG1 3.18Å; D341-D345 PolarHBondContact N-OD2 2.9Å; D341-D345 WeakPolarHBondContact O-CA 3.5Å; D341-D345 VanDerWaalsContact O-CB 3.22Å; D341-D345 WeakPolarHBondContact O-CB 3.23Å; D341-D345 PolarHBondContact O-N 3.13Å | ||
| 342 | K | 90 | Very high | 92 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66 | -32.9 | -175.4 | 179.3 | 167.5 | -177.8 | 139.6 | 0 | 113.1 | E346 V368 K370 | K342-E346 VanDerWaalsContact CE-OE2 3.32Å; K342-E346 WeakPolarHBondContact CE-OE2 3.36Å; K342-E346 IonicContact NZ-OE2 3.54Å; K342-E346 WeakPolarHBondContact O-CB 3.18Å; K342-V368 HydrophobicContact CB-CB 4.04Å; K342-V368 HydrophobicContact CB-CG1 3.81Å; K342-V368 HydrophobicContact CG-CB 4.2Å; K342-V368 HydrophobicContact CG-CG1 4.45Å; K342-V368 PolarHBondContact NZ-O 3.44Å; K342-K370 HydrophobicContact CD-CG 4.27Å |
| 343 | T | 87.1 | Confident | 92 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 74% | 0.736 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -82.6 | -31.6 | -174.7 | 65 | 0 | 0 | 0 | 0 | 112.7 | D341 | D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.22Å; D341-T343 WeakPolarHBondContact OD2-CA 3.31Å; D341-T343 WeakPolarHBondContact OD2-CB 3.5Å; D341-T343 PolarHBondContact OD2-N 2.92Å; D341-T343 PolarHBondContact OD2-OG1 3.13Å |
| 344 | T | 89.3 | Confident | 91.9 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -100 | -30.2 | -177.4 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | Y309 D341 | Y309-T344 PolarHBondContact OH-O 2.89Å; Y309-T344 VanDerWaalsContact OH-O 3.12Å; D341-T344 WeakPolarHBondContact CB-OG1 3.08Å; D341-T344 PolarHBondContact OD2-N 3.04Å; D341-T344 PolarHBondContact OD2-OG1 3.18Å |
| 345 | D | 91.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -106.2 | -15.6 | -166.8 | -54.9 | -20 | 0 | 0 | 0 | 113.6 | F337 L340 D341 G347 Y349 | F337-D345 HydrophobicContact CD1-CB 4.2Å; F337-D345 HydrophobicContact CE1-CB 4.32Å; L340-D345 WeakPolarHBondContact CA-OD2 3.27Å; L340-D345 HydrophobicContact CD2-CB 4.12Å; D341-D345 PolarHBondContact N-OD2 2.9Å; D341-D345 WeakPolarHBondContact O-CA 3.5Å; D341-D345 VanDerWaalsContact O-CB 3.22Å; D341-D345 WeakPolarHBondContact O-CB 3.23Å; D341-D345 PolarHBondContact O-N 3.13Å; D345-G347 PolarHBondContact O-N 2.78Å; D345-Y349 WeakPolarHBondContact CA-OH 3.27Å; D345-Y349 WeakPolarHBondContact O-CE2 3.46Å; D345-Y349 PolarHBondContact O-OH 2.96Å |
| 346 | E | 94 | Very high | 91 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | trans | -67.9 | 130.5 | 176.5 | -163.5 | 176.9 | 155.4 | 0 | 0 | 110.5 | Y309 K342 V366 V368 | Y309-E346 PolarHBondContact OH-O 3.04Å; K342-E346 VanDerWaalsContact CE-OE2 3.32Å; K342-E346 WeakPolarHBondContact CE-OE2 3.36Å; K342-E346 IonicContact NZ-OE2 3.54Å; K342-E346 WeakPolarHBondContact O-CB 3.18Å; E346-V366 VanDerWaalsContact CG-O 3.27Å; E346-V366 WeakPolarHBondContact CG-O 3.21Å; E346-V368 HydrophobicContact CB-CB 4.48Å; E346-V368 HydrophobicContact CB-CG2 4.08Å | ||
| 347 | G | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.1 | -164.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | D345 Y349 Y365 V366 | D345-G347 PolarHBondContact O-N 2.78Å; G347-Y349 WeakPolarHBondContact O-CD2 3.21Å; G347-Y365 WeakPolarHBondContact O-CA 3.48Å; G347-V366 PolarHBondContact N-O 2.94Å; G347-V366 PolarHBondContact O-N 2.78Å |
| 348 | Y | 95.4 | Very high | 90.4 | Very high | 114 Ų | 114 | 52.7 Ų | 52.7 | 45% | 0.447 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.3 | -176.7 | -69.5 | -88 | 0 | 0 | 0 | 111.8 | P280 Y309 N310 T363 F364 Y365 | P280-Y348 HydrophobicContact CB-CD1 4.48Å; P280-Y348 HydrophobicContact CB-CE1 4.27Å; P280-Y348 HydrophobicContact CG-CD1 4.28Å; P280-Y348 HydrophobicContact CG-CE1 3.78Å; Y309-Y348 CarbonylContact C-O 3.22Å; Y309-Y348 WeakPolarHBondContact CA-O 3.06Å; N310-Y348 PolarHBondContact N-O 3.42Å; N310-Y348 PolarHBondContact OD1-N 3.06Å; Y348-T363 HydrophobicContact CD1-CG2 4.18Å; Y348-F364 CarbonylContact C-O 3.54Å; Y348-F364 WeakPolarHBondContact CA-O 3.4Å; Y348-Y365 AromaticContact CD1-CD2 3.74Å; Y348-Y365 HydrophobicContact CD1-CD2 3.74Å; Y348-Y365 AromaticContact CD2-CD2 3.85Å; Y348-Y365 HydrophobicContact CD2-CD2 3.85Å; Y348-Y365 AromaticContact CD2-CE2 3.89Å; Y348-Y365 HydrophobicContact CD2-CE2 3.89Å; Y348-Y365 AromaticContact CE1-CD2 3.51Å; Y348-Y365 HydrophobicContact CE1-CD2 3.51Å; Y348-Y365 HydrophobicContact CE1-CE2 4.22Å; Y348-Y365 HydrophobicContact CE1-CG 4.46Å; Y348-Y365 AromaticContact CE2-CD2 3.62Å; Y348-Y365 HydrophobicContact CE2-CD2 3.62Å; Y348-Y365 AromaticContact CE2-CE2 3.49Å; Y348-Y365 HydrophobicContact CE2-CE2 3.49Å; Y348-Y365 VanDerWaalsContact CE2-CE2 3.49Å; Y348-Y365 AromaticContact CG-CD2 3.91Å; Y348-Y365 HydrophobicContact CG-CD2 3.91Å; Y348-Y365 HydrophobicContact CG-CE2 4.41Å; Y348-Y365 AromaticContact CZ-CD2 3.42Å; Y348-Y365 VanDerWaalsContact CZ-CD2 3.42Å; Y348-Y365 AromaticContact CZ-CE2 3.66Å |
| 349 | Y | 94.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.9 | 174.3 | -67.9 | -91.8 | 0 | 0 | 0 | 110.6 | L293 F308 Y309 I314 L335 F337 D345 G347 T363 F364 V366 | L293-Y349 HydrophobicContact CD1-CD2 4.4Å; L293-Y349 HydrophobicContact CD1-CG 4.09Å; F308-Y349 CarbonylContact O-C 3.51Å; F308-Y349 VanDerWaalsContact O-CA 3.26Å; F308-Y349 WeakPolarHBondContact O-CA 3.08Å; Y309-Y349 HydrophobicContact CD2-CD1 4.02Å; Y309-Y349 HydrophobicContact CD2-CD2 4.22Å; Y309-Y349 AromaticContact CD2-CE1 3.4Å; Y309-Y349 HydrophobicContact CD2-CE1 3.4Å; Y309-Y349 VanDerWaalsContact CD2-CE1 3.4Å; Y309-Y349 AromaticContact CD2-CE2 3.64Å; Y309-Y349 HydrophobicContact CD2-CE2 3.64Å; Y309-Y349 HydrophobicContact CD2-CG 4.4Å; Y309-Y349 AromaticContact CD2-CZ 3.19Å; Y309-Y349 WeakPolarHBondContact CD2-OH 3.26Å; Y309-Y349 HydrophobicContact CE2-CE1 4.21Å; Y309-Y349 AromaticContact CE2-CE2 3.79Å; Y309-Y349 HydrophobicContact CE2-CE2 3.79Å; Y309-Y349 AromaticContact CE2-CZ 3.52Å; Y309-Y349 VanDerWaalsContact CE2-OH 3.3Å; Y309-Y349 WeakPolarHBondContact CE2-OH 3.49Å; Y309-Y349 AromaticContact CG-CE1 3.94Å; Y309-Y349 HydrophobicContact CG-CE1 3.94Å; I314-Y349 HydrophobicContact CD1-CD1 3.95Å; I314-Y349 HydrophobicContact CD1-CE1 4.06Å; L335-Y349 HydrophobicContact CD2-CD1 3.4Å; L335-Y349 VanDerWaalsContact CD2-CD1 3.4Å; L335-Y349 HydrophobicContact CD2-CE1 3.9Å; L335-Y349 HydrophobicContact CD2-CG 4.21Å; F337-Y349 AromaticContact CE1-CE1 3.69Å; F337-Y349 HydrophobicContact CE1-CE1 3.69Å; F337-Y349 HydrophobicContact CE1-CE2 4.21Å; F337-Y349 AromaticContact CE1-CZ 3.48Å; F337-Y349 VanDerWaalsContact CE1-CZ 3.48Å; F337-Y349 WeakPolarHBondContact CE1-OH 3.38Å; F337-Y349 AromaticContact CZ-CD1 3.9Å; F337-Y349 HydrophobicContact CZ-CD1 3.9Å; F337-Y349 HydrophobicContact CZ-CD2 4.31Å; F337-Y349 AromaticContact CZ-CE1 3.47Å; F337-Y349 HydrophobicContact CZ-CE1 3.47Å; F337-Y349 VanDerWaalsContact CZ-CE1 3.47Å; F337-Y349 AromaticContact CZ-CE2 3.93Å; F337-Y349 HydrophobicContact CZ-CE2 3.93Å; F337-Y349 HydrophobicContact CZ-CG 4.28Å; F337-Y349 AromaticContact CZ-CZ 3.49Å; F337-Y349 VanDerWaalsContact CZ-CZ 3.49Å; D345-Y349 WeakPolarHBondContact CA-OH 3.27Å; D345-Y349 WeakPolarHBondContact O-CE2 3.46Å; D345-Y349 PolarHBondContact O-OH 2.96Å; G347-Y349 WeakPolarHBondContact O-CD2 3.21Å; Y349-T363 CarbonylContact O-C 3.38Å; Y349-T363 WeakPolarHBondContact O-CA 3.24Å; Y349-F364 PolarHBondContact N-O 3.34Å; Y349-F364 PolarHBondContact O-N 3.37Å; Y349-V366 HydrophobicContact CD2-CB 4.13Å; Y349-V366 HydrophobicContact CD2-CG2 3.57Å; Y349-V366 HydrophobicContact CE2-CB 3.98Å; Y349-V366 HydrophobicContact CE2-CG2 3.81Å |
| 350 | K | 94.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121 | 177.9 | -176.1 | -171.6 | -176.4 | -169.9 | 0 | 110.3 | W307 F308 S361 A362 | W307-K350 CarbonylContact C-O 3.56Å; W307-K350 WeakPolarHBondContact CA-O 3.43Å; F308-K350 HydrophobicContact CB-CB 4.24Å; F308-K350 PolarHBondContact N-O 3.21Å; F308-K350 PolarHBondContact O-N 3.36Å; K350-S361 WeakPolarHBondContact CE-OG 3.37Å; K350-A362 VanDerWaalsContact CA-O 3.31Å; K350-A362 WeakPolarHBondContact CA-O 3.43Å |
| 351 | C | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132 | 165.1 | 62.5 | 0 | 0 | 0 | 0 | 108.3 | C295 F297 W307 T333 S361 A362 | C295-C351 HydrophobicContact CB-CB 3.69Å; C295-C351 WeakPolarHBondContact CB-SG 3.18Å; C295-C351 WeakPolarHBondContact SG-CB 3.39Å; C295-C351 CovalentContact SG-SG 2Å; C295-C351 PolarHBondContact SG-SG 2.87Å; F297-C351 HydrophobicContact CE2-CB 4.38Å; F297-C351 HydrophobicContact CZ-CB 4.42Å; W307-C351 HydrophobicContact CD2-CB 3.91Å; W307-C351 HydrophobicContact CE3-CB 3.83Å; W307-C351 HydrophobicContact CH2-CB 3.68Å; W307-C351 HydrophobicContact CZ2-CB 3.72Å; W307-C351 HydrophobicContact CZ3-CB 3.73Å; T333-C351 HydrophobicContact CG2-CB 4.32Å; C351-S361 CarbonylContact O-C 3.5Å; C351-S361 WeakPolarHBondContact O-CA 3.48Å; C351-S361 WeakPolarHBondContact O-CB 3.48Å; C351-A362 PolarHBondContact N-O 3.09Å; C351-A362 PolarHBondContact O-N 3.13Å; C351-A362 VanDerWaalsContact O-N 3.1Å; C351-A362 PolarHBondContact SG-O 3.15Å |
| 352 | Q | 92.4 | Very high | 91 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136 | -179 | -173.2 | 174.1 | -73.2 | 0 | 0 | 111.1 | I305 Q306 F308 A360 | I305-Q352 WeakPolarHBondContact CA-O 3.07Å; Q306-Q352 PolarHBondContact N-O 3.06Å; Q306-Q352 PolarHBondContact O-N 2.85Å; F308-Q352 HydrophobicContact CD2-CB 4.45Å; F308-Q352 HydrophobicContact CE2-CB 3.95Å; Q352-A360 WeakPolarHBondContact CA-O 3.29Å |
| 353 | A | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P250 F297 M303 F331 Q359 A360 | P250-A353 HydrophobicContact CB-CB 4.04Å; F297-A353 HydrophobicContact CB-CB 4.24Å; F297-A353 HydrophobicContact CD1-CB 3.38Å; F297-A353 HydrophobicContact CD2-CB 3.84Å; F297-A353 HydrophobicContact CE1-CB 3.49Å; F297-A353 VanDerWaalsContact CE1-CB 3.49Å; F297-A353 HydrophobicContact CE2-CB 3.92Å; F297-A353 HydrophobicContact CG-CB 3.56Å; F297-A353 HydrophobicContact CZ-CB 3.75Å; M303-A353 HydrophobicContact CE-CB 3.75Å; M303-A353 WeakPolarHBondContact SD-CA 3.34Å; M303-A353 HydrophobicContact SD-CB 3.17Å; M303-A353 WeakPolarHBondContact SD-CB 3.31Å; F331-A353 HydrophobicContact CZ-CB 4.37Å; A353-Q359 CarbonylContact O-C 3.5Å; A353-Q359 WeakPolarHBondContact O-CA 3.24Å; A353-Q359 WeakPolarHBondContact O-CB 3.24Å; A353-A360 PolarHBondContact N-O 3Å; A353-A360 PolarHBondContact O-N 2.92Å |
| 354 | S | 89.5 | Confident | 91.6 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.7 | -175.5 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | M303 Y304 | M303-S354 WeakPolarHBondContact CB-O 3.36Å; M303-S354 PolarHBondContact SD-N 2.95Å; Y304-S354 PolarHBondContact N-O 2.86Å; Y304-S354 PolarHBondContact O-N 2.69Å; Y304-S354 VanDerWaalsContact O-N 3.09Å; Y304-S354 PolarHBondContact O-OG 3.03Å |
| 355 | N | 86 | Confident | 91.9 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | trans | -140.3 | -176.3 | 167.4 | 70.2 | 24.8 | 0 | 0 | 0 | 110 | C248 P250 K357 G358 | C248-N355 PolarHBondContact O-ND2 2.96Å; P250-N355 WeakPolarHBondContact CD-ND2 3.46Å; P250-N355 WeakPolarHBondContact CD-OD1 3.18Å; P250-N355 HydrophobicContact CG-CB 4.44Å; N355-K357 PolarHBondContact O-N 2.77Å; N355-K357 WeakPolarHBondContact OD1-CA 3.39Å; N355-K357 WeakPolarHBondContact OD1-CB 3.23Å; N355-K357 PolarHBondContact OD1-N 2.78Å; N355-G358 PolarHBondContact N-O 3.33Å; N355-G358 PolarHBondContact O-N 3.29Å; N355-G358 VanDerWaalsContact O-O 3.05Å; N355-G358 PolarHBondContact OD1-N 3.27Å | ||
| 356 | Y | 83.3 | Confident | 92 | Very high | 104 Ų | 104 | 36.5 Ų | 36.5 | 41% | 0.408 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -69.6 | -12.6 | -175.9 | 71.8 | -100.2 | 0 | 0 | 0 | 114.1 | T244 S245 Q247 | T244-Y356 VanDerWaalsContact CA-CE1 3.47Å; T244-Y356 WeakPolarHBondContact CA-OH 3.37Å; T244-Y356 HydrophobicContact CG2-CE1 4.28Å; T244-Y356 VanDerWaalsContact O-CE1 3.3Å; T244-Y356 WeakPolarHBondContact O-CE1 3.37Å; T244-Y356 WeakPolarHBondContact O-CE2 3.48Å; T244-Y356 PolarHBondContact O-OH 3.09Å; S245-Y356 PolarHBondContact N-OH 2.91Å; Q247-Y356 WeakPolarHBondContact CA-OH 3.35Å; Q247-Y356 HydrophobicContact CB-CE1 3.79Å; Q247-Y356 WeakPolarHBondContact CB-OH 3.48Å; Q247-Y356 HydrophobicContact CG-CE1 3.55Å; Q247-Y356 WeakPolarHBondContact CG-OH 3.38Å; Q247-Y356 PolarHBondContact N-OH 2.87Å; Q247-Y356 VanDerWaalsContact OE1-CD1 3.3Å |
| 357 | K | 86 | Confident | 92 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 39% | 0.391 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -85.9 | -32.2 | 175.8 | -70.4 | -62 | -164.9 | -173 | 0 | 112.6 | S245 Q247 E249 N355 | S245-K357 WeakPolarHBondContact O-CE 3.22Å; S245-K357 PolarHBondContact O-NZ 3.03Å; Q247-K357 HydrophobicContact CB-CG 4.48Å; Q247-K357 VanDerWaalsContact O-CE 3.26Å; Q247-K357 WeakPolarHBondContact O-CE 3.48Å; Q247-K357 VanDerWaalsContact O-CG 3.27Å; Q247-K357 WeakPolarHBondContact O-CG 3.21Å; E249-K357 HydrophobicContact CB-CB 4.24Å; N355-K357 PolarHBondContact O-N 2.77Å; N355-K357 WeakPolarHBondContact OD1-CA 3.39Å; N355-K357 WeakPolarHBondContact OD1-CB 3.23Å; N355-K357 PolarHBondContact OD1-N 2.78Å |
| 358 | G | 88.4 | Confident | 92 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | trans | 166.9 | -155.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E249 P250 N355 | E249-G358 WeakPolarHBondContact OE1-CA 3.45Å; P250-G358 WeakPolarHBondContact CD-O 3.43Å; N355-G358 PolarHBondContact N-O 3.33Å; N355-G358 PolarHBondContact O-N 3.29Å; N355-G358 VanDerWaalsContact O-O 3.05Å; N355-G358 PolarHBondContact OD1-N 3.27Å | ||
| 359 | Q | 90.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.491 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.6 | -172.1 | 65.3 | -178.5 | 31 | 0 | 0 | 112.5 | E249 A353 | E249-Q359 PolarHBondContact OE1-N 3.29Å; A353-Q359 CarbonylContact O-C 3.5Å; A353-Q359 WeakPolarHBondContact O-CA 3.24Å; A353-Q359 WeakPolarHBondContact O-CB 3.24Å |
| 360 | A | 91.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P250 L252 F297 Q352 A353 | P250-A360 HydrophobicContact CB-CB 3.88Å; P250-A360 WeakPolarHBondContact O-CB 3.44Å; L252-A360 HydrophobicContact CB-CB 4.35Å; F297-A360 HydrophobicContact CD1-CB 3.88Å; F297-A360 HydrophobicContact CE1-CB 3.77Å; F297-A360 WeakPolarHBondContact CE1-O 3.36Å; Q352-A360 WeakPolarHBondContact CA-O 3.29Å; A353-A360 PolarHBondContact N-O 3Å; A353-A360 PolarHBondContact O-N 2.92Å |
| 361 | S | 93.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 153.3 | 177.9 | 58 | 0 | 0 | 0 | 0 | 112.1 | K350 C351 | K350-S361 WeakPolarHBondContact CE-OG 3.37Å; C351-S361 CarbonylContact O-C 3.5Å; C351-S361 WeakPolarHBondContact O-CA 3.48Å; C351-S361 WeakPolarHBondContact O-CB 3.48Å |
| 362 | A | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L252 T255 K350 C351 F364 | L252-A362 HydrophobicContact CD1-CB 4.24Å; L252-A362 HydrophobicContact CD2-CB 3.74Å; T255-A362 HydrophobicContact CG2-CB 3.49Å; T255-A362 VanDerWaalsContact CG2-CB 3.49Å; K350-A362 VanDerWaalsContact CA-O 3.31Å; K350-A362 WeakPolarHBondContact CA-O 3.43Å; C351-A362 PolarHBondContact N-O 3.09Å; C351-A362 PolarHBondContact O-N 3.13Å; C351-A362 VanDerWaalsContact O-N 3.1Å; C351-A362 PolarHBondContact SG-O 3.15Å; A362-F364 HydrophobicContact CB-CE2 4.4Å |
| 363 | T | 94.6 | Very high | 87.7 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.8 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | P280 I281 Y348 Y349 | P280-T363 CarbonylContact C-O 3.58Å; P280-T363 WeakPolarHBondContact CA-O 3.36Å; P280-T363 HydrophobicContact CB-CG2 4.3Å; P280-T363 HydrophobicContact CG-CG2 4.49Å; I281-T363 PolarHBondContact N-O 2.86Å; Y348-T363 HydrophobicContact CD1-CG2 4.18Å; Y349-T363 CarbonylContact O-C 3.38Å; Y349-T363 WeakPolarHBondContact O-CA 3.24Å |
| 364 | F | 95.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148.4 | 173.4 | -53 | -93.6 | 0 | 0 | 0 | 109.2 | T255 I281 V283 L293 C295 W307 Y348 Y349 A362 | T255-F364 HydrophobicContact CG2-CZ 4.01Å; I281-F364 HydrophobicContact CB-CD1 3.79Å; I281-F364 HydrophobicContact CB-CE1 4.3Å; I281-F364 HydrophobicContact CD1-CD1 4.16Å; I281-F364 HydrophobicContact CD1-CE1 3.84Å; I281-F364 HydrophobicContact CD1-CZ 4.47Å; I281-F364 HydrophobicContact CG2-CD1 4.03Å; I281-F364 HydrophobicContact CG2-CE1 4.39Å; I281-F364 CarbonylContact O-C 3.28Å; I281-F364 VanDerWaalsContact O-CA 3.22Å; I281-F364 WeakPolarHBondContact O-CA 3.31Å; V283-F364 HydrophobicContact CG2-CB 4.34Å; V283-F364 HydrophobicContact CG2-CD1 3.91Å; L293-F364 HydrophobicContact CB-CD2 4.48Å; L293-F364 HydrophobicContact CB-CE2 4.37Å; L293-F364 HydrophobicContact CD1-CB 4.12Å; L293-F364 HydrophobicContact CD1-CD2 4.08Å; L293-F364 HydrophobicContact CD1-CG 4.09Å; L293-F364 HydrophobicContact CD2-CB 4.49Å; L293-F364 HydrophobicContact CD2-CD1 4.06Å; L293-F364 HydrophobicContact CD2-CE1 4.49Å; L293-F364 HydrophobicContact CD2-CG 4.19Å; C295-F364 WeakPolarHBondContact SG-CE2 3.45Å; W307-F364 HydrophobicContact CH2-CE2 4.05Å; W307-F364 HydrophobicContact CZ3-CD2 4.22Å; W307-F364 HydrophobicContact CZ3-CE2 4.06Å; Y348-F364 CarbonylContact C-O 3.54Å; Y348-F364 WeakPolarHBondContact CA-O 3.4Å; Y349-F364 PolarHBondContact N-O 3.34Å; Y349-F364 PolarHBondContact O-N 3.37Å; A362-F364 HydrophobicContact CB-CE2 4.4Å |
| 365 | Y | 95.3 | Very high | 83.8 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.4 | 163.7 | -171.2 | -81.8 | 0 | 0 | 0 | 108.5 | I281 H282 V283 G347 Y348 H367 | I281-Y365 PolarHBondContact O-N 3.48Å; H282-Y365 AromaticContact ND1-CD1 3.96Å; V283-Y365 PolarHBondContact N-O 2.86Å; G347-Y365 WeakPolarHBondContact O-CA 3.48Å; Y348-Y365 AromaticContact CD1-CD2 3.74Å; Y348-Y365 HydrophobicContact CD1-CD2 3.74Å; Y348-Y365 AromaticContact CD2-CD2 3.85Å; Y348-Y365 HydrophobicContact CD2-CD2 3.85Å; Y348-Y365 AromaticContact CD2-CE2 3.89Å; Y348-Y365 HydrophobicContact CD2-CE2 3.89Å; Y348-Y365 AromaticContact CE1-CD2 3.51Å; Y348-Y365 HydrophobicContact CE1-CD2 3.51Å; Y348-Y365 HydrophobicContact CE1-CE2 4.22Å; Y348-Y365 HydrophobicContact CE1-CG 4.46Å; Y348-Y365 AromaticContact CE2-CD2 3.62Å; Y348-Y365 HydrophobicContact CE2-CD2 3.62Å; Y348-Y365 AromaticContact CE2-CE2 3.49Å; Y348-Y365 HydrophobicContact CE2-CE2 3.49Å; Y348-Y365 VanDerWaalsContact CE2-CE2 3.49Å; Y348-Y365 AromaticContact CG-CD2 3.91Å; Y348-Y365 HydrophobicContact CG-CD2 3.91Å; Y348-Y365 HydrophobicContact CG-CE2 4.41Å; Y348-Y365 AromaticContact CZ-CD2 3.42Å; Y348-Y365 VanDerWaalsContact CZ-CD2 3.42Å; Y348-Y365 AromaticContact CZ-CE2 3.66Å; Y365-H367 AromaticContact CD1-CD2 3.74Å; Y365-H367 AromaticContact CD1-CE1 3.52Å; Y365-H367 AromaticContact CD1-CG 3.92Å; Y365-H367 AromaticContact CD1-ND1 3.82Å; Y365-H367 AromaticContact CD1-NE2 3.5Å; Y365-H367 AromaticContact CE1-CE1 3.42Å; Y365-H367 VanDerWaalsContact CE1-CE1 3.42Å; Y365-H367 WeakPolarHBondContact CE1-CE1 3.19Å; Y365-H367 AromaticContact CE1-CG 3.96Å; Y365-H367 AromaticContact CE1-ND1 3.47Å; Y365-H367 WeakPolarHBondContact CE1-ND1 3.05Å; Y365-H367 AromaticContact CE1-NE2 3.91Å |
| 366 | V | 94.9 | Very high | 82 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.9 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | V283 L291 L293 L340 E346 G347 Y349 V368 | V283-V366 HydrophobicContact CB-CG2 4.48Å; V283-V366 CarbonylContact O-C 3.52Å; V283-V366 WeakPolarHBondContact O-CA 3.41Å; L291-V366 HydrophobicContact CD2-CG1 3.66Å; L291-V366 HydrophobicContact CD2-CG2 4.09Å; L293-V366 HydrophobicContact CD1-CG2 3.94Å; L293-V366 HydrophobicContact CD2-CG2 4.43Å; L340-V366 HydrophobicContact CD2-CG1 4.48Å; E346-V366 VanDerWaalsContact CG-O 3.27Å; E346-V366 WeakPolarHBondContact CG-O 3.21Å; G347-V366 PolarHBondContact N-O 2.94Å; G347-V366 PolarHBondContact O-N 2.78Å; Y349-V366 HydrophobicContact CD2-CB 4.13Å; Y349-V366 HydrophobicContact CD2-CG2 3.57Å; Y349-V366 HydrophobicContact CE2-CB 3.98Å; Y349-V366 HydrophobicContact CE2-CG2 3.81Å; V366-V368 HydrophobicContact CG1-CG2 4.16Å |
| 367 | H | 94.5 | Very high | 80.5 | Confident | 42 Ų | 42 | 66 Ų | 66 | 19% | 0.194 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | 170.4 | -64.3 | -85.7 | 0 | 0 | 0 | 109.4 | H282 V283 Y284 G285 Y365 | H282-H367 AromaticContact CE1-NE2 3.94Å; H282-H367 AromaticContact CG-NE2 3.83Å; H282-H367 AromaticContact ND1-CD2 3.89Å; H282-H367 AromaticContact ND1-CE1 3.96Å; H282-H367 AromaticContact ND1-NE2 3.03Å; H282-H367 PolarHBondContact ND1-NE2 3.44Å; V283-H367 PolarHBondContact O-N 2.81Å; Y284-H367 HydrophobicContact CD1-CB 3.56Å; Y284-H367 AromaticContact CD1-CD2 3.85Å; Y284-H367 AromaticContact CD1-CG 3.87Å; Y284-H367 HydrophobicContact CE1-CB 3.87Å; Y284-H367 AromaticContact CE1-CD2 3.44Å; Y284-H367 VanDerWaalsContact CE1-CD2 3.44Å; Y284-H367 WeakPolarHBondContact CE1-CD2 3.3Å; Y284-H367 AromaticContact CE1-CG 3.64Å; Y284-H367 AromaticContact CE1-NE2 3.95Å; Y284-H367 HydrophobicContact CG-CB 4.32Å; Y284-H367 AromaticContact CZ-CD2 3.63Å; Y284-H367 AromaticContact CZ-NE2 3.91Å; G285-H367 PolarHBondContact N-O 3.32Å; Y365-H367 AromaticContact CD1-CD2 3.74Å; Y365-H367 AromaticContact CD1-CE1 3.52Å; Y365-H367 AromaticContact CD1-CG 3.92Å; Y365-H367 AromaticContact CD1-ND1 3.82Å; Y365-H367 AromaticContact CD1-NE2 3.5Å; Y365-H367 AromaticContact CE1-CE1 3.42Å; Y365-H367 VanDerWaalsContact CE1-CE1 3.42Å; Y365-H367 WeakPolarHBondContact CE1-CE1 3.19Å; Y365-H367 AromaticContact CE1-CG 3.96Å; Y365-H367 AromaticContact CE1-ND1 3.47Å; Y365-H367 WeakPolarHBondContact CE1-ND1 3.05Å; Y365-H367 AromaticContact CE1-NE2 3.91Å |
| 368 | V | 93.5 | Very high | 78.8 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.8 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | E287 L340 K342 E346 V366 | E287-V368 HydrophobicContact CB-CG1 3.96Å; L340-V368 HydrophobicContact CB-CG1 4.28Å; L340-V368 HydrophobicContact CD2-CG2 4.44Å; K342-V368 HydrophobicContact CB-CB 4.04Å; K342-V368 HydrophobicContact CB-CG1 3.81Å; K342-V368 HydrophobicContact CG-CB 4.2Å; K342-V368 HydrophobicContact CG-CG1 4.45Å; K342-V368 PolarHBondContact NZ-O 3.44Å; E346-V368 HydrophobicContact CB-CB 4.48Å; E346-V368 HydrophobicContact CB-CG2 4.08Å; V366-V368 HydrophobicContact CG1-CG2 4.16Å |
| 369 | Q | 90.6 | Very high | 77.1 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.9 | 178.7 | -63.8 | -177.3 | -14.9 | 0 | 0 | 109.7 | G285 I286 E287 | G285-Q369 PolarHBondContact O-N 3.36Å; I286-Q369 WeakPolarHBondContact CA-O 3.23Å; E287-Q369 WeakPolarHBondContact CB-O 3.47Å; E287-Q369 PolarHBondContact N-O 3.22Å |
| 370 | K | 83.9 | Confident | 75.4 | Confident | 139 Ų | 139 | 72.2 Ų | 72.2 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 145.9 | 170.8 | -61.8 | -157.8 | 167.8 | -172.4 | 0 | 109 | E287 K342 I372 | E287-K370 WeakPolarHBondContact OE2-CG 3.29Å; K342-K370 HydrophobicContact CD-CG 4.27Å; K370-I372 PolarHBondContact O-N 3.41Å |
| 371 | P | 80.5 | Confident | 73.7 | Confident | 74 Ų | 74 | 78.3 Ų | 78.3 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 129 | 175.6 | -11.6 | 28.2 | 0 | 0 | 0 | 106.7 | I286 E287 E373 | I286-P371 HydrophobicContact CG2-CB 4.37Å; I286-P371 HydrophobicContact CG2-CG 4.5Å; E287-P371 HydrophobicContact CB-CG 4.43Å; P371-E373 PolarHBondContact O-N 3.45Å |
| 372 | I | 69.4 | Low | 72 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 75% | 0.749 | 39% | 0.388 | S | S | * | . | trans | -60.4 | 109.8 | 176.1 | -62 | 169.1 | 0 | 0 | 0 | 106.1 | K370 Q374 | K370-I372 PolarHBondContact O-N 3.41Å; I372-Q374 HydrophobicContact CG2-CG 4.15Å; I372-Q374 PolarHBondContact O-N 2.96Å | ||
| 373 | E | 56.6 | Low | 70.3 | Confident | 130 Ų | 130 | 87 Ų | 87 | 61% | 0.607 | 42% | 0.417 | S | S | * | . | trans | -62.7 | 82 | 166.4 | -88.5 | -162.5 | 158.6 | 0 | 0 | 108.1 | P371 S375 N376 | P371-E373 PolarHBondContact O-N 3.45Å; E373-S375 WeakPolarHBondContact CB-OG 3.17Å; E373-S375 WeakPolarHBondContact CG-OG 3.5Å; E373-S375 PolarHBondContact O-N 3.1Å; E373-N376 PolarHBondContact O-N 3.04Å; E373-N376 PolarHBondContact OE2-ND2 3.19Å; E373-N376 VanDerWaalsContact OE2-ND2 3.1Å | ||
| 374 | Q | 49.1 | Very low | 68.5 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.6 | -6 | 158.4 | -75.3 | -174.8 | -9.2 | 0 | 0 | 110.1 | I372 N376 L378 | I372-Q374 HydrophobicContact CG2-CG 4.15Å; I372-Q374 PolarHBondContact O-N 2.96Å; Q374-N376 VanDerWaalsContact C-N 3.29Å; Q374-N376 PolarHBondContact O-N 2.85Å; Q374-L378 HydrophobicContact CB-CB 4.05Å; Q374-L378 HydrophobicContact CB-CD1 4.31Å; Q374-L378 HydrophobicContact CG-CD1 4.23Å; Q374-L378 WeakPolarHBondContact O-CA 3.3Å; Q374-L378 WeakPolarHBondContact O-CB 3.44Å; Q374-L378 PolarHBondContact O-N 3.5Å |
| 375 | S | 49.3 | Very low | 66.7 | Low | 40 Ų | 40 | 93.5 Ų | 93.5 | 28% | 0.28 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.7 | -14.1 | 174.8 | 64.1 | 0 | 0 | 0 | 0 | 115.1 | E373 R379 | E373-S375 WeakPolarHBondContact CB-OG 3.17Å; E373-S375 WeakPolarHBondContact CG-OG 3.5Å; E373-S375 PolarHBondContact O-N 3.1Å; S375-R379 WeakPolarHBondContact O-CB 3.41Å; S375-R379 WeakPolarHBondContact O-CD 3.44Å; S375-R379 WeakPolarHBondContact O-CG 3.48Å; S375-R379 PolarHBondContact O-NE 3.28Å |
| 376 | N | 48.7 | Very low | 64.8 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -116.2 | -42 | 178.5 | -76.9 | -39.4 | 0 | 0 | 0 | 113.7 | E373 Q374 L380 | E373-N376 PolarHBondContact O-N 3.04Å; E373-N376 PolarHBondContact OE2-ND2 3.19Å; E373-N376 VanDerWaalsContact OE2-ND2 3.1Å; Q374-N376 VanDerWaalsContact C-N 3.29Å; Q374-N376 PolarHBondContact O-N 2.85Å; N376-L380 VanDerWaalsContact O-CB 3.26Å; N376-L380 WeakPolarHBondContact O-CB 3.37Å; N376-L380 WeakPolarHBondContact O-CD1 3.41Å; N376-L380 PolarHBondContact O-N 2.88Å |
| 377 | Q | 52.1 | Low | 62.8 | Low | 163 Ų | 163 | 101.6 Ų | 101.6 | 76% | 0.762 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -78.7 | -34.7 | 172.6 | -73.5 | -151.7 | -11.5 | 0 | 0 | 112.9 | R379 L380 F381 | Q377-R379 VanDerWaalsContact C-N 3.34Å; Q377-L380 PolarHBondContact O-N 2.93Å; Q377-F381 WeakPolarHBondContact O-CA 3.37Å; Q377-F381 WeakPolarHBondContact O-CB 3.46Å; Q377-F381 PolarHBondContact O-N 3.02Å |
| 378 | L | 50.9 | Low | 60.8 | Low | 78 Ų | 78 | 108 Ų | 108 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.4 | -24.7 | 171.1 | -132.1 | 94.7 | 0 | 0 | 0 | 111 | Q374 N382 | Q374-L378 HydrophobicContact CB-CB 4.05Å; Q374-L378 HydrophobicContact CB-CD1 4.31Å; Q374-L378 HydrophobicContact CG-CD1 4.23Å; Q374-L378 WeakPolarHBondContact O-CA 3.3Å; Q374-L378 WeakPolarHBondContact O-CB 3.44Å; Q374-L378 PolarHBondContact O-N 3.5Å; L378-N382 WeakPolarHBondContact O-CA 3.39Å; L378-N382 WeakPolarHBondContact O-CB 3.32Å; L378-N382 PolarHBondContact O-N 3.22Å; L378-N382 PolarHBondContact O-ND2 2.93Å |
| 379 | R | 51.4 | Low | 58.6 | Low | 167 Ų | 167 | 111.8 Ų | 111.8 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.6 | -31.9 | 167.8 | -79.4 | -171.4 | -168.4 | 153.6 | -6.4 | 113.5 | S375 Q377 K383 | S375-R379 WeakPolarHBondContact O-CB 3.41Å; S375-R379 WeakPolarHBondContact O-CD 3.44Å; S375-R379 WeakPolarHBondContact O-CG 3.48Å; S375-R379 PolarHBondContact O-NE 3.28Å; Q377-R379 VanDerWaalsContact C-N 3.34Å; R379-K383 WeakPolarHBondContact O-CA 3.33Å; R379-K383 WeakPolarHBondContact O-CB 3.45Å; R379-K383 PolarHBondContact O-N 3.36Å |
| 380 | L | 54.6 | Low | 56.6 | Low | 103 Ų | 103 | 112.5 Ų | 112.5 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.1 | -37.7 | 171.3 | -90.9 | 152 | 0 | 0 | 0 | 111.3 | N376 Q377 K383 N384 | N376-L380 VanDerWaalsContact O-CB 3.26Å; N376-L380 WeakPolarHBondContact O-CB 3.37Å; N376-L380 WeakPolarHBondContact O-CD1 3.41Å; N376-L380 PolarHBondContact O-N 2.88Å; Q377-L380 PolarHBondContact O-N 2.93Å; L380-K383 PolarHBondContact O-N 3.44Å; L380-N384 WeakPolarHBondContact O-CB 3.43Å; L380-N384 PolarHBondContact O-N 2.91Å; L380-N384 PolarHBondContact O-ND2 2.77Å |
| 381 | F | 57.1 | Low | 54.9 | Low | 140 Ų | 140 | 115 Ų | 115 | 61% | 0.614 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.7 | -38.9 | 173.5 | -152.2 | -100.8 | 0 | 0 | 0 | 110.4 | Q377 N384 L385 | Q377-F381 WeakPolarHBondContact O-CA 3.37Å; Q377-F381 WeakPolarHBondContact O-CB 3.46Å; Q377-F381 PolarHBondContact O-N 3.02Å; F381-N384 CarbonylContact O-C 3.36Å; F381-N384 PolarHBondContact O-N 3.13Å; F381-L385 HydrophobicContact CD1-CD1 3.19Å; F381-L385 HydrophobicContact CE1-CD1 3.27Å; F381-L385 HydrophobicContact CG-CD1 4.08Å; F381-L385 HydrophobicContact CZ-CD1 4.21Å; F381-L385 VanDerWaalsContact O-CB 3.28Å; F381-L385 WeakPolarHBondContact O-CB 3.38Å; F381-L385 VanDerWaalsContact O-CD1 3.24Å; F381-L385 WeakPolarHBondContact O-CD1 3.16Å; F381-L385 PolarHBondContact O-N 2.86Å |
| 382 | N | 57.1 | Low | 53.6 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 40% | 0.401 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.2 | -30.4 | 171.5 | -70.4 | -19.1 | 0 | 0 | 0 | 112.8 | L378 N386 | L378-N382 WeakPolarHBondContact O-CA 3.39Å; L378-N382 WeakPolarHBondContact O-CB 3.32Å; L378-N382 PolarHBondContact O-N 3.22Å; L378-N382 PolarHBondContact O-ND2 2.93Å; N382-N386 WeakPolarHBondContact O-CB 3.08Å; N382-N386 PolarHBondContact O-N 2.82Å; N382-N386 PolarHBondContact O-ND2 2.99Å; N382-N386 VanDerWaalsContact O-ND2 3.16Å; N382-N386 PolarHBondContact O-OD1 3.42Å |
| 383 | K | 57.1 | Low | 52.7 | Low | 144 Ų | 144 | 110.2 Ų | 110.2 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 168.1 | -101.8 | -178.5 | 166.9 | 178.4 | 0 | 111 | R379 L380 N386 N387 | R379-K383 WeakPolarHBondContact O-CA 3.33Å; R379-K383 WeakPolarHBondContact O-CB 3.45Å; R379-K383 PolarHBondContact O-N 3.36Å; L380-K383 PolarHBondContact O-N 3.44Å; K383-N386 PolarHBondContact O-N 3.05Å; K383-N387 WeakPolarHBondContact O-CB 3.33Å; K383-N387 PolarHBondContact O-N 2.88Å; K383-N387 PolarHBondContact O-ND2 2.87Å; K383-N387 PolarHBondContact O-OD1 3.33Å |
| 384 | N | 56.7 | Low | 52.7 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.8 | -29.4 | 178.1 | -74.5 | -17.5 | 0 | 0 | 0 | 112.1 | L380 F381 K388 | L380-N384 WeakPolarHBondContact O-CB 3.43Å; L380-N384 PolarHBondContact O-N 2.91Å; L380-N384 PolarHBondContact O-ND2 2.77Å; F381-N384 CarbonylContact O-C 3.36Å; F381-N384 PolarHBondContact O-N 3.13Å; N384-K388 WeakPolarHBondContact O-CB 3.41Å; N384-K388 PolarHBondContact O-N 3.41Å |
| 385 | L | 57.4 | Low | 53.1 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.5 | -43.2 | 167.4 | -98.4 | 113 | 0 | 0 | 0 | 110.2 | F381 N387 K388 L389 | F381-L385 HydrophobicContact CD1-CD1 3.19Å; F381-L385 HydrophobicContact CE1-CD1 3.27Å; F381-L385 HydrophobicContact CG-CD1 4.08Å; F381-L385 HydrophobicContact CZ-CD1 4.21Å; F381-L385 VanDerWaalsContact O-CB 3.28Å; F381-L385 WeakPolarHBondContact O-CB 3.38Å; F381-L385 VanDerWaalsContact O-CD1 3.24Å; F381-L385 WeakPolarHBondContact O-CD1 3.16Å; F381-L385 PolarHBondContact O-N 2.86Å; L385-N387 VanDerWaalsContact C-N 3.34Å; L385-N387 PolarHBondContact O-N 2.87Å; L385-K388 CarbonylContact O-C 3.58Å; L385-K388 PolarHBondContact O-N 3.03Å; L385-K388 VanDerWaalsContact O-N 3.13Å; L385-L389 HydrophobicContact CB-CD1 4.09Å; L385-L389 HydrophobicContact CD2-CD1 3.76Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 WeakPolarHBondContact O-CA 3.4Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 WeakPolarHBondContact O-CD1 3.46Å; L385-L389 PolarHBondContact O-N 3.04Å |
| 386 | N | 55.3 | Low | 53.5 | Low | 108 Ų | 108 | 115.5 Ų | 115.5 | 58% | 0.578 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -33.8 | 177.3 | -68.1 | -13.6 | 0 | 0 | 0 | 112.4 | N382 K383 D390 | N382-N386 WeakPolarHBondContact O-CB 3.08Å; N382-N386 PolarHBondContact O-N 2.82Å; N382-N386 PolarHBondContact O-ND2 2.99Å; N382-N386 VanDerWaalsContact O-ND2 3.16Å; N382-N386 PolarHBondContact O-OD1 3.42Å; K383-N386 PolarHBondContact O-N 3.05Å; N386-D390 PolarHBondContact O-N 2.87Å |
| 387 | N | 53.6 | Low | 54.7 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -79.7 | -17.1 | 173.2 | -69.3 | -7 | 0 | 0 | 0 | 113.2 | K383 L385 | K383-N387 WeakPolarHBondContact O-CB 3.33Å; K383-N387 PolarHBondContact O-N 2.88Å; K383-N387 PolarHBondContact O-ND2 2.87Å; K383-N387 PolarHBondContact O-OD1 3.33Å; L385-N387 VanDerWaalsContact C-N 3.34Å; L385-N387 PolarHBondContact O-N 2.87Å |
| 388 | K | 52.3 | Low | 56 | Low | 175 Ų | 175 | 110.9 Ų | 110.9 | 76% | 0.761 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -100.7 | -11 | 175.3 | -157.4 | 171.6 | -170.7 | 179.7 | 0 | 112.4 | N384 L385 | N384-K388 WeakPolarHBondContact O-CB 3.41Å; N384-K388 PolarHBondContact O-N 3.41Å; L385-K388 CarbonylContact O-C 3.58Å; L385-K388 PolarHBondContact O-N 3.03Å; L385-K388 VanDerWaalsContact O-N 3.13Å |
| 389 | L | 47.5 | Very low | 57.4 | Low | 83 Ų | 83 | 112.4 Ų | 112.4 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -93.9 | 9.3 | 166.1 | -89.1 | 118.4 | 0 | 0 | 0 | 112.4 | L385 Y391 T392 | L385-L389 HydrophobicContact CB-CD1 4.09Å; L385-L389 HydrophobicContact CD2-CD1 3.76Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 WeakPolarHBondContact O-CA 3.4Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 WeakPolarHBondContact O-CD1 3.46Å; L385-L389 PolarHBondContact O-N 3.04Å; L389-Y391 PolarHBondContact O-N 3.45Å; L389-Y391 VanDerWaalsContact O-N 3.15Å; L389-T392 HydrophobicContact CB-CG2 4.32Å; L389-T392 HydrophobicContact CD2-CG2 3.73Å; L389-T392 HydrophobicContact CG-CG2 4.49Å; L389-T392 VanDerWaalsContact O-CB 3.23Å; L389-T392 WeakPolarHBondContact O-CB 3.15Å; L389-T392 VanDerWaalsContact O-CG2 3.26Å; L389-T392 WeakPolarHBondContact O-CG2 3.22Å; L389-T392 PolarHBondContact O-N 3.01Å; L389-T392 PolarHBondContact O-OG1 3.36Å |
| 390 | D | 48.6 | Very low | 58.6 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.7 | 168.9 | -123.5 | -7.1 | 0 | 0 | 0 | 113.2 | N386 T392 S393 | N386-D390 PolarHBondContact O-N 2.87Å; D390-T392 PolarHBondContact O-N 2.85Å; D390-S393 PolarHBondContact O-N 3.37Å |
| 391 | Y | 47.1 | Very low | 59.8 | Low | 191 Ų | 191 | 105 Ų | 105 | 75% | 0.749 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -11.5 | 158.1 | -87.2 | -85.4 | 0 | 0 | 0 | 113.1 | L389 S393 F394 | L389-Y391 PolarHBondContact O-N 3.45Å; L389-Y391 VanDerWaalsContact O-N 3.15Å; Y391-S393 VanDerWaalsContact C-N 3.31Å; Y391-F394 PolarHBondContact O-N 3.06Å |
| 392 | T | 53.5 | Low | 61 | Low | 43 Ų | 43 | 102.1 Ų | 102.1 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.6 | -14.7 | 174.5 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | L389 D390 F394 L395 F396 | L389-T392 HydrophobicContact CB-CG2 4.32Å; L389-T392 HydrophobicContact CD2-CG2 3.73Å; L389-T392 HydrophobicContact CG-CG2 4.49Å; L389-T392 VanDerWaalsContact O-CB 3.23Å; L389-T392 WeakPolarHBondContact O-CB 3.15Å; L389-T392 VanDerWaalsContact O-CG2 3.26Å; L389-T392 WeakPolarHBondContact O-CG2 3.22Å; L389-T392 PolarHBondContact O-N 3.01Å; L389-T392 PolarHBondContact O-OG1 3.36Å; D390-T392 PolarHBondContact O-N 2.85Å; T392-F394 PolarHBondContact O-N 3.21Å; T392-L395 HydrophobicContact CG2-CD1 4.32Å; T392-L395 PolarHBondContact O-N 2.82Å; T392-F396 WeakPolarHBondContact O-CD2 3.33Å; T392-F396 PolarHBondContact O-N 3.13Å |
| 393 | S | 51.9 | Low | 62.5 | Low | 77 Ų | 77 | 103.1 Ų | 103.1 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -28.1 | 169.3 | 161 | 0 | 0 | 0 | 0 | 112.8 | D390 Y391 | D390-S393 PolarHBondContact O-N 3.37Å; Y391-S393 VanDerWaalsContact C-N 3.31Å |
| 394 | F | 54.8 | Low | 63.9 | Low | 138 Ų | 138 | 102.6 Ų | 102.6 | 61% | 0.605 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.1 | -27.9 | 171.5 | -88.7 | -89.2 | 0 | 0 | 0 | 113.3 | Y391 T392 F396 I400 | Y391-F394 PolarHBondContact O-N 3.06Å; T392-F394 PolarHBondContact O-N 3.21Å; F394-F396 VanDerWaalsContact C-N 3.35Å; F394-I400 HydrophobicContact CD1-CD1 4.13Å; F394-I400 VanDerWaalsContact O-CD1 3.31Å; F394-I400 WeakPolarHBondContact O-CD1 3.05Å |
| 395 | L | 57.5 | Low | 65.3 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80 | -17.1 | 179.3 | -70.5 | 165.8 | 0 | 0 | 0 | 113 | T392 | T392-L395 HydrophobicContact CG2-CD1 4.32Å; T392-L395 PolarHBondContact O-N 2.82Å |
| 396 | F | 58.6 | Low | 67 | Low | 153 Ų | 153 | 103.3 Ų | 103.3 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 11.3 | 176.1 | -68.4 | -71.8 | 0 | 0 | 0 | 114.6 | T392 F394 P398 I401 | T392-F396 WeakPolarHBondContact O-CD2 3.33Å; T392-F396 PolarHBondContact O-N 3.13Å; F394-F396 VanDerWaalsContact C-N 3.35Å; F396-P398 WeakPolarHBondContact O-CD 3.48Å; F396-I401 HydrophobicContact CD1-CD1 4.44Å |
| 397 | N | 73.6 | Confident | 68.7 | Low | 57 Ų | 57 | 101.9 Ų | 101.9 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | trans | -67.2 | 120.4 | 172.6 | -174 | -33.5 | 0 | 0 | 0 | 108.9 | I399 I400 I401 | N397-I399 PolarHBondContact O-N 3.13Å; N397-I399 VanDerWaalsContact O-N 3.07Å; N397-I399 WeakPolarHBondContact OD1-CB 3.12Å; N397-I399 PolarHBondContact OD1-N 3.24Å; N397-I400 HydrophobicContact CB-CB 4.09Å; N397-I400 HydrophobicContact CB-CD1 3.97Å; N397-I400 HydrophobicContact CB-CG1 4.01Å; N397-I400 PolarHBondContact O-N 3.14Å; N397-I401 PolarHBondContact O-N 2.84Å | ||
| 398 | P | 78.9 | Confident | 70.5 | Confident | 94 Ų | 94 | 103 Ų | 103 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.9 | -30.5 | -176.1 | 21.5 | -32.5 | 0 | 0 | 0 | 112.2 | F396 T402 | F396-P398 WeakPolarHBondContact O-CD 3.48Å; P398-T402 WeakPolarHBondContact O-CG2 3.3Å; P398-T402 PolarHBondContact O-N 3.1Å; P398-T402 PolarHBondContact O-OG1 3.35Å; P398-T402 VanDerWaalsContact O-OG1 3.05Å |
| 399 | I | 80.5 | Confident | 72.3 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.5 | -46 | 175.8 | -57.8 | 174.2 | 0 | 0 | 0 | 110.5 | N397 T402 I403 | N397-I399 PolarHBondContact O-N 3.13Å; N397-I399 VanDerWaalsContact O-N 3.07Å; N397-I399 WeakPolarHBondContact OD1-CB 3.12Å; N397-I399 PolarHBondContact OD1-N 3.24Å; I399-T402 WeakPolarHBondContact CA-OG1 3.43Å; I399-T402 PolarHBondContact O-N 2.87Å; I399-T402 PolarHBondContact O-OG1 3.47Å; I399-I403 HydrophobicContact CG2-CD1 4.1Å; I399-I403 WeakPolarHBondContact O-CG1 3.32Å; I399-I403 PolarHBondContact O-N 3.46Å |
| 400 | I | 77 | Confident | 74.4 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 179.6 | -66.1 | 178.1 | 0 | 0 | 0 | 110.4 | F394 N397 T402 I403 F404 | F394-I400 HydrophobicContact CD1-CD1 4.13Å; F394-I400 VanDerWaalsContact O-CD1 3.31Å; F394-I400 WeakPolarHBondContact O-CD1 3.05Å; N397-I400 HydrophobicContact CB-CB 4.09Å; N397-I400 HydrophobicContact CB-CD1 3.97Å; N397-I400 HydrophobicContact CB-CG1 4.01Å; N397-I400 PolarHBondContact O-N 3.14Å; I400-T402 PolarHBondContact O-N 3.38Å; I400-I403 PolarHBondContact O-N 3.3Å; I400-F404 HydrophobicContact CG2-CD2 3.69Å; I400-F404 HydrophobicContact CG2-CE2 3.67Å; I400-F404 VanDerWaalsContact O-CD2 3.32Å; I400-F404 WeakPolarHBondContact O-CD2 3.31Å; I400-F404 PolarHBondContact O-N 3.31Å |
| 401 | I | 80.1 | Confident | 76.3 | Confident | 64 Ų | 64 | 98.7 Ų | 98.7 | 33% | 0.328 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.1 | -67.4 | 169 | 0 | 0 | 0 | 110.7 | F396 N397 I403 F404 I405 | F396-I401 HydrophobicContact CD1-CD1 4.44Å; N397-I401 PolarHBondContact O-N 2.84Å; I401-I403 VanDerWaalsContact C-N 3.33Å; I401-I403 PolarHBondContact O-N 3.35Å; I401-F404 PolarHBondContact O-N 2.87Å; I401-I405 HydrophobicContact CG2-CD1 3.67Å; I401-I405 HydrophobicContact CG2-CG1 4.29Å; I401-I405 VanDerWaalsContact O-CG1 3.29Å; I401-I405 WeakPolarHBondContact O-CG1 3.09Å; I401-I405 PolarHBondContact O-N 3.23Å |
| 402 | T | 82.9 | Confident | 78.4 | Confident | 80 Ų | 80 | 95 Ų | 95 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | P398 I399 I400 I405 V406 | P398-T402 WeakPolarHBondContact O-CG2 3.3Å; P398-T402 PolarHBondContact O-N 3.1Å; P398-T402 PolarHBondContact O-OG1 3.35Å; P398-T402 VanDerWaalsContact O-OG1 3.05Å; I399-T402 WeakPolarHBondContact CA-OG1 3.43Å; I399-T402 PolarHBondContact O-N 2.87Å; I399-T402 PolarHBondContact O-OG1 3.47Å; I400-T402 PolarHBondContact O-N 3.38Å; T402-I405 PolarHBondContact O-N 2.66Å; T402-V406 WeakPolarHBondContact O-CB 3.3Å; T402-V406 VanDerWaalsContact O-CG2 3.24Å; T402-V406 WeakPolarHBondContact O-CG2 3.42Å; T402-V406 PolarHBondContact O-N 3.25Å |
| 403 | I | 87.7 | Confident | 80.2 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.8 | -67.5 | 166.3 | 0 | 0 | 0 | 110.5 | I399 I400 I401 I405 V406 V407 | I399-I403 HydrophobicContact CG2-CD1 4.1Å; I399-I403 WeakPolarHBondContact O-CG1 3.32Å; I399-I403 PolarHBondContact O-N 3.46Å; I400-I403 PolarHBondContact O-N 3.3Å; I401-I403 VanDerWaalsContact C-N 3.33Å; I401-I403 PolarHBondContact O-N 3.35Å; I403-I405 PolarHBondContact O-N 3.23Å; I403-V406 PolarHBondContact O-N 2.92Å; I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.33Å; I403-V407 VanDerWaalsContact O-CG2 3.29Å; I403-V407 WeakPolarHBondContact O-CG2 3.45Å; I403-V407 PolarHBondContact O-N 3.41Å |
| 404 | F | 85.7 | Confident | 82.1 | Confident | 134 Ų | 134 | 97.9 Ų | 97.9 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 176.7 | -89.1 | -72.4 | 0 | 0 | 0 | 112.5 | I400 I401 V407 F408 | I400-F404 HydrophobicContact CG2-CD2 3.69Å; I400-F404 HydrophobicContact CG2-CE2 3.67Å; I400-F404 VanDerWaalsContact O-CD2 3.32Å; I400-F404 WeakPolarHBondContact O-CD2 3.31Å; I400-F404 PolarHBondContact O-N 3.31Å; I401-F404 PolarHBondContact O-N 2.87Å; F404-V407 PolarHBondContact O-N 3.42Å; F404-F408 WeakPolarHBondContact O-CB 3.48Å; F404-F408 PolarHBondContact O-N 3.01Å |
| 405 | I | 88.1 | Confident | 83.7 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.8 | -69.2 | 170.4 | 0 | 0 | 0 | 110.2 | I401 T402 I403 F408 N409 | I401-I405 HydrophobicContact CG2-CD1 3.67Å; I401-I405 HydrophobicContact CG2-CG1 4.29Å; I401-I405 VanDerWaalsContact O-CG1 3.29Å; I401-I405 WeakPolarHBondContact O-CG1 3.09Å; I401-I405 PolarHBondContact O-N 3.23Å; T402-I405 PolarHBondContact O-N 2.66Å; I403-I405 PolarHBondContact O-N 3.23Å; I405-F408 PolarHBondContact O-N 2.95Å; I405-N409 VanDerWaalsContact CG2-ND2 3.33Å; I405-N409 WeakPolarHBondContact CG2-ND2 3.29Å; I405-N409 WeakPolarHBondContact O-CB 3.34Å; I405-N409 PolarHBondContact O-N 3.38Å; I405-N409 PolarHBondContact O-ND2 3.03Å |
| 406 | V | 91 | Very high | 85.3 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | T402 I403 N409 F410 | T402-V406 WeakPolarHBondContact O-CB 3.3Å; T402-V406 VanDerWaalsContact O-CG2 3.24Å; T402-V406 WeakPolarHBondContact O-CG2 3.42Å; T402-V406 PolarHBondContact O-N 3.25Å; I403-V406 PolarHBondContact O-N 2.92Å; V406-N409 PolarHBondContact O-N 3.38Å; V406-F410 WeakPolarHBondContact O-CB 3.38Å; V406-F410 PolarHBondContact O-N 3.46Å |
| 407 | V | 91.4 | Very high | 86.8 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | I403 F404 F410 T411 | I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.33Å; I403-V407 VanDerWaalsContact O-CG2 3.29Å; I403-V407 WeakPolarHBondContact O-CG2 3.45Å; I403-V407 PolarHBondContact O-N 3.41Å; F404-V407 PolarHBondContact O-N 3.42Å; V407-F410 PolarHBondContact O-N 3.08Å; V407-T411 HydrophobicContact CG1-CG2 4.33Å; V407-T411 WeakPolarHBondContact O-CB 3.25Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.49Å; V407-T411 PolarHBondContact O-N 3.07Å; V407-T411 PolarHBondContact O-OG1 3.48Å |
| 408 | F | 91.5 | Very high | 87.5 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 176.5 | -176.5 | -96.5 | 0 | 0 | 0 | 111.5 | F404 I405 F410 T411 F412 | F404-F408 WeakPolarHBondContact O-CB 3.48Å; F404-F408 PolarHBondContact O-N 3.01Å; I405-F408 PolarHBondContact O-N 2.95Å; F408-F410 PolarHBondContact O-N 2.94Å; F408-T411 WeakPolarHBondContact CA-OG1 3.43Å; F408-T411 PolarHBondContact O-N 2.96Å; F408-T411 PolarHBondContact O-OG1 2.83Å; F408-F412 WeakPolarHBondContact O-CB 3.13Å; F408-F412 PolarHBondContact O-N 3.05Å |
| 409 | N | 90 | Very high | 88 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.5 | -80.4 | -72.5 | 0 | 0 | 0 | 111.7 | I405 V406 F412 I413 | I405-N409 VanDerWaalsContact CG2-ND2 3.33Å; I405-N409 WeakPolarHBondContact CG2-ND2 3.29Å; I405-N409 WeakPolarHBondContact O-CB 3.34Å; I405-N409 PolarHBondContact O-N 3.38Å; I405-N409 PolarHBondContact O-ND2 3.03Å; V406-N409 PolarHBondContact O-N 3.38Å; N409-F412 PolarHBondContact O-N 3Å; N409-I413 WeakPolarHBondContact O-CB 3.36Å; N409-I413 WeakPolarHBondContact O-CD1 3.48Å; N409-I413 WeakPolarHBondContact O-CG1 3.45Å; N409-I413 PolarHBondContact O-N 3.39Å |
| 410 | F | 91.5 | Very high | 88.4 | Confident | 140 Ų | 140 | 90.9 Ų | 90.9 | 61% | 0.614 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 177.7 | -131.2 | -85.7 | 0 | 0 | 0 | 112 | V406 V407 F408 I413 I414 | V406-F410 WeakPolarHBondContact O-CB 3.38Å; V406-F410 PolarHBondContact O-N 3.46Å; V407-F410 PolarHBondContact O-N 3.08Å; F408-F410 PolarHBondContact O-N 2.94Å; F410-I413 PolarHBondContact O-N 3.02Å; F410-I414 HydrophobicContact CD1-CD1 4.04Å; F410-I414 VanDerWaalsContact O-CG1 3.28Å; F410-I414 WeakPolarHBondContact O-CG1 3.37Å; F410-I414 PolarHBondContact O-N 2.77Å |
| 411 | T | 89.8 | Confident | 88.9 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | V407 F408 I414 I415 | V407-T411 HydrophobicContact CG1-CG2 4.33Å; V407-T411 WeakPolarHBondContact O-CB 3.25Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.49Å; V407-T411 PolarHBondContact O-N 3.07Å; V407-T411 PolarHBondContact O-OG1 3.48Å; F408-T411 WeakPolarHBondContact CA-OG1 3.43Å; F408-T411 PolarHBondContact O-N 2.96Å; F408-T411 PolarHBondContact O-OG1 2.83Å; T411-I414 PolarHBondContact O-N 3.02Å; T411-I415 WeakPolarHBondContact O-CB 3.29Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.29Å; T411-I415 PolarHBondContact O-N 2.79Å |
| 412 | F | 90.3 | Very high | 89.1 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.1 | -173.8 | -98.7 | 0 | 0 | 0 | 111.8 | F408 N409 I414 I415 V416 | F408-F412 WeakPolarHBondContact O-CB 3.13Å; F408-F412 PolarHBondContact O-N 3.05Å; N409-F412 PolarHBondContact O-N 3Å; F412-I414 PolarHBondContact O-N 2.88Å; F412-I415 PolarHBondContact O-N 2.87Å; F412-V416 HydrophobicContact CD1-CG2 4.01Å; F412-V416 HydrophobicContact CE1-CG2 3.67Å; F412-V416 HydrophobicContact CE2-CG2 4.37Å; F412-V416 HydrophobicContact CG-CG2 4.5Å; F412-V416 HydrophobicContact CZ-CG2 3.87Å; F412-V416 WeakPolarHBondContact O-CB 3.44Å; F412-V416 VanDerWaalsContact O-CG2 3.29Å; F412-V416 WeakPolarHBondContact O-CG2 3.36Å; F412-V416 PolarHBondContact O-N 3.12Å |
| 413 | I | 91.5 | Very high | 89.1 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.8 | -70.1 | 164.2 | 0 | 0 | 0 | 110.7 | N409 F410 I415 V416 L417 | N409-I413 WeakPolarHBondContact O-CB 3.36Å; N409-I413 WeakPolarHBondContact O-CD1 3.48Å; N409-I413 WeakPolarHBondContact O-CG1 3.45Å; N409-I413 PolarHBondContact O-N 3.39Å; F410-I413 PolarHBondContact O-N 3.02Å; I413-I415 PolarHBondContact O-N 3.36Å; I413-V416 PolarHBondContact O-N 3.47Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.29Å; I413-L417 WeakPolarHBondContact O-CB 3.44Å; I413-L417 VanDerWaalsContact O-CG 3.22Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 2.95Å |
| 414 | I | 91.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 45% | 0.451 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.6 | -69 | 166.8 | 0 | 0 | 0 | 110.8 | F410 T411 F412 L417 C418 | F410-I414 HydrophobicContact CD1-CD1 4.04Å; F410-I414 VanDerWaalsContact O-CG1 3.28Å; F410-I414 WeakPolarHBondContact O-CG1 3.37Å; F410-I414 PolarHBondContact O-N 2.77Å; T411-I414 PolarHBondContact O-N 3.02Å; F412-I414 PolarHBondContact O-N 2.88Å; I414-L417 PolarHBondContact O-N 3.24Å; I414-C418 WeakPolarHBondContact O-CB 3.18Å; I414-C418 PolarHBondContact O-N 3.05Å; I414-C418 PolarHBondContact O-SG 3.18Å |
| 415 | I | 89.7 | Confident | 88.7 | Confident | 93 Ų | 93 | 102 Ų | 102 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.1 | -70.1 | 165.3 | 0 | 0 | 0 | 110.6 | T411 F412 I413 L417 C418 I419 | T411-I415 WeakPolarHBondContact O-CB 3.29Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.29Å; T411-I415 PolarHBondContact O-N 2.79Å; F412-I415 PolarHBondContact O-N 2.87Å; I413-I415 PolarHBondContact O-N 3.36Å; I415-L417 PolarHBondContact O-N 2.98Å; I415-C418 WeakPolarHBondContact O-CB 3.09Å; I415-C418 PolarHBondContact O-N 2.75Å; I415-I419 HydrophobicContact CG2-CD1 3.72Å; I415-I419 HydrophobicContact CG2-CG1 4.38Å; I415-I419 VanDerWaalsContact O-CG1 3.28Å; I415-I419 WeakPolarHBondContact O-CG1 2.94Å; I415-I419 PolarHBondContact O-N 3.11Å |
| 416 | V | 89.8 | Confident | 88.2 | Confident | 60 Ų | 60 | 104.4 Ų | 104.4 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | F412 I413 C418 I419 V420 | F412-V416 HydrophobicContact CD1-CG2 4.01Å; F412-V416 HydrophobicContact CE1-CG2 3.67Å; F412-V416 HydrophobicContact CE2-CG2 4.37Å; F412-V416 HydrophobicContact CG-CG2 4.5Å; F412-V416 HydrophobicContact CZ-CG2 3.87Å; F412-V416 WeakPolarHBondContact O-CB 3.44Å; F412-V416 VanDerWaalsContact O-CG2 3.29Å; F412-V416 WeakPolarHBondContact O-CG2 3.36Å; F412-V416 PolarHBondContact O-N 3.12Å; I413-V416 PolarHBondContact O-N 3.47Å; V416-C418 VanDerWaalsContact C-N 3.33Å; V416-C418 PolarHBondContact O-N 3.25Å; V416-I419 PolarHBondContact O-N 2.99Å; V416-V420 HydrophobicContact CG1-CG2 4.26Å; V416-V420 WeakPolarHBondContact O-CB 3.26Å; V416-V420 VanDerWaalsContact O-CG2 3.31Å; V416-V420 WeakPolarHBondContact O-CG2 3.32Å; V416-V420 PolarHBondContact O-N 3.33Å |
| 417 | L | 91 | Very high | 87.4 | Confident | 109 Ų | 109 | 108.5 Ų | 108.5 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 175.3 | -72.2 | 172.9 | 0 | 0 | 0 | 112 | I413 I414 I415 K421 | I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.29Å; I413-L417 WeakPolarHBondContact O-CB 3.44Å; I413-L417 VanDerWaalsContact O-CG 3.22Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 2.95Å; I414-L417 PolarHBondContact O-N 3.24Å; I415-L417 PolarHBondContact O-N 2.98Å; L417-K421 WeakPolarHBondContact O-CB 3.01Å; L417-K421 PolarHBondContact O-N 2.96Å |
| 418 | C | 89 | Confident | 86.7 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.7 | -76.9 | 0 | 0 | 0 | 0 | 111.6 | I414 I415 V416 K421 C422 | I414-C418 WeakPolarHBondContact O-CB 3.18Å; I414-C418 PolarHBondContact O-N 3.05Å; I414-C418 PolarHBondContact O-SG 3.18Å; I415-C418 WeakPolarHBondContact O-CB 3.09Å; I415-C418 PolarHBondContact O-N 2.75Å; V416-C418 VanDerWaalsContact C-N 3.33Å; V416-C418 PolarHBondContact O-N 3.25Å; C418-K421 PolarHBondContact O-N 3.04Å; C418-C422 VanDerWaalsContact O-CB 3.23Å; C418-C422 WeakPolarHBondContact O-CB 3.48Å; C418-C422 PolarHBondContact O-N 2.88Å |
| 419 | I | 88.7 | Confident | 85.4 | Confident | 88 Ų | 88 | 105.2 Ų | 105.2 | 45% | 0.451 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.9 | -68.5 | 167.2 | 0 | 0 | 0 | 110.3 | I415 V416 K421 C422 I423 | I415-I419 HydrophobicContact CG2-CD1 3.72Å; I415-I419 HydrophobicContact CG2-CG1 4.38Å; I415-I419 VanDerWaalsContact O-CG1 3.28Å; I415-I419 WeakPolarHBondContact O-CG1 2.94Å; I415-I419 PolarHBondContact O-N 3.11Å; V416-I419 PolarHBondContact O-N 2.99Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.88Å; I419-C422 CarbonylContact O-C 3.54Å; I419-C422 WeakPolarHBondContact O-CB 3.48Å; I419-C422 PolarHBondContact O-N 2.93Å; I419-C422 VanDerWaalsContact O-N 3.15Å; I419-I423 HydrophobicContact CG2-CD1 3.64Å; I419-I423 HydrophobicContact CG2-CG1 4.26Å; I419-I423 WeakPolarHBondContact O-CB 3.33Å; I419-I423 VanDerWaalsContact O-CG1 3.27Å; I419-I423 WeakPolarHBondContact O-CG1 3.35Å; I419-I423 PolarHBondContact O-N 2.66Å |
| 420 | V | 87.7 | Confident | 83.9 | Confident | 84 Ų | 84 | 106.8 Ų | 106.8 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | V416 C422 I423 Y424 | V416-V420 HydrophobicContact CG1-CG2 4.26Å; V416-V420 WeakPolarHBondContact O-CB 3.26Å; V416-V420 VanDerWaalsContact O-CG2 3.31Å; V416-V420 WeakPolarHBondContact O-CG2 3.32Å; V416-V420 PolarHBondContact O-N 3.33Å; V420-C422 VanDerWaalsContact C-N 3.3Å; V420-C422 PolarHBondContact O-N 3.43Å; V420-I423 PolarHBondContact O-N 3.07Å; V420-Y424 WeakPolarHBondContact O-CB 3.47Å; V420-Y424 PolarHBondContact O-N 3.45Å |
| 421 | K | 88 | Confident | 82.4 | Confident | 164 Ų | 164 | 106 Ų | 106 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -36 | 176 | -163.7 | 175.2 | -176.2 | 174.9 | 0 | 111.5 | L417 C418 I419 K425 | L417-K421 WeakPolarHBondContact O-CB 3.01Å; L417-K421 PolarHBondContact O-N 2.96Å; C418-K421 PolarHBondContact O-N 3.04Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.88Å; K421-K425 VanDerWaalsContact O-CB 3.24Å; K421-K425 WeakPolarHBondContact O-CB 3.06Å; K421-K425 PolarHBondContact O-N 2.93Å |
| 422 | C | 84.4 | Confident | 80.9 | Confident | 88 Ų | 88 | 105.7 Ų | 105.7 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.6 | -42.2 | 176.3 | -152.5 | 0 | 0 | 0 | 0 | 111.8 | C418 I419 V420 K425 K426 | C418-C422 VanDerWaalsContact O-CB 3.23Å; C418-C422 WeakPolarHBondContact O-CB 3.48Å; C418-C422 PolarHBondContact O-N 2.88Å; I419-C422 CarbonylContact O-C 3.54Å; I419-C422 WeakPolarHBondContact O-CB 3.48Å; I419-C422 PolarHBondContact O-N 2.93Å; I419-C422 VanDerWaalsContact O-N 3.15Å; V420-C422 VanDerWaalsContact C-N 3.3Å; V420-C422 PolarHBondContact O-N 3.43Å; C422-K425 PolarHBondContact O-N 2.88Å; C422-K426 VanDerWaalsContact O-CB 3.24Å; C422-K426 WeakPolarHBondContact O-CB 3.4Å; C422-K426 PolarHBondContact O-N 2.99Å |
| 423 | I | 84.2 | Confident | 79.3 | Confident | 83 Ų | 83 | 106 Ų | 106 | 43% | 0.426 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.6 | -67.2 | 169.3 | 0 | 0 | 0 | 110.4 | I419 V420 K426 R427 | I419-I423 HydrophobicContact CG2-CD1 3.64Å; I419-I423 HydrophobicContact CG2-CG1 4.26Å; I419-I423 WeakPolarHBondContact O-CB 3.33Å; I419-I423 VanDerWaalsContact O-CG1 3.27Å; I419-I423 WeakPolarHBondContact O-CG1 3.35Å; I419-I423 PolarHBondContact O-N 2.66Å; V420-I423 PolarHBondContact O-N 3.07Å; I423-K426 PolarHBondContact O-N 3.18Å; I423-R427 HydrophobicContact CG2-CG 4.49Å; I423-R427 WeakPolarHBondContact O-CB 3.14Å; I423-R427 WeakPolarHBondContact O-CG 3.49Å; I423-R427 PolarHBondContact O-N 3.32Å |
| 424 | Y | 81.9 | Confident | 77.4 | Confident | 158 Ų | 158 | 110.5 Ų | 110.5 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 177.2 | -168.8 | -101.6 | 0 | 0 | 0 | 111.1 | V420 R427 L428 | V420-Y424 WeakPolarHBondContact O-CB 3.47Å; V420-Y424 PolarHBondContact O-N 3.45Å; Y424-R427 PolarHBondContact O-N 3.46Å; Y424-L428 HydrophobicContact CD1-CD1 3.77Å; Y424-L428 HydrophobicContact CD2-CD1 4.44Å; Y424-L428 HydrophobicContact CE1-CD1 3.33Å; Y424-L428 HydrophobicContact CE2-CD1 4.06Å; Y424-L428 HydrophobicContact CG-CD1 4.3Å; Y424-L428 VanDerWaalsContact CZ-CD1 3.49Å; Y424-L428 WeakPolarHBondContact O-CB 3.31Å; Y424-L428 PolarHBondContact O-N 2.91Å |
| 425 | K | 81.9 | Confident | 75.6 | Confident | 163 Ų | 163 | 113.5 Ų | 113.5 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 174.6 | -164 | 176.7 | -176.1 | -177.3 | 0 | 111.8 | K421 C422 L428 S429 | K421-K425 VanDerWaalsContact O-CB 3.24Å; K421-K425 WeakPolarHBondContact O-CB 3.06Å; K421-K425 PolarHBondContact O-N 2.93Å; C422-K425 PolarHBondContact O-N 2.88Å; K425-L428 PolarHBondContact O-N 2.76Å; K425-S429 WeakPolarHBondContact O-CB 3.5Å; K425-S429 PolarHBondContact O-N 3.17Å |
| 426 | K | 77.1 | Confident | 73.9 | Confident | 144 Ų | 144 | 118 Ų | 118 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 174.9 | -165.6 | 173.4 | -175.7 | 177.4 | 0 | 112 | C422 I423 S429 H430 | C422-K426 VanDerWaalsContact O-CB 3.24Å; C422-K426 WeakPolarHBondContact O-CB 3.4Å; C422-K426 PolarHBondContact O-N 2.99Å; I423-K426 PolarHBondContact O-N 3.18Å; K426-S429 PolarHBondContact O-N 3.24Å; K426-S429 PolarHBondContact O-OG 2.92Å; K426-H430 WeakPolarHBondContact O-CB 3.24Å; K426-H430 PolarHBondContact O-N 2.78Å |
| 427 | R | 75.7 | Confident | 72 | Confident | 176 Ų | 176 | 120.6 Ų | 120.6 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -38.9 | 173 | -79.9 | -177 | 178.9 | 173.6 | 0.7 | 112.1 | I423 Y424 H430 Q431 | I423-R427 HydrophobicContact CG2-CG 4.49Å; I423-R427 WeakPolarHBondContact O-CB 3.14Å; I423-R427 WeakPolarHBondContact O-CG 3.49Å; I423-R427 PolarHBondContact O-N 3.32Å; Y424-R427 PolarHBondContact O-N 3.46Å; R427-H430 PolarHBondContact O-N 2.9Å; R427-Q431 WeakPolarHBondContact O-CB 3.24Å; R427-Q431 WeakPolarHBondContact O-CG 3.42Å; R427-Q431 PolarHBondContact O-N 2.88Å |
| 428 | L | 75.1 | Confident | 70 | Confident | 85 Ų | 85 | 119.2 Ų | 119.2 | 45% | 0.445 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -38.1 | 171.5 | -108.2 | 87.7 | 0 | 0 | 0 | 111.7 | Y424 K425 Q431 S432 | Y424-L428 HydrophobicContact CD1-CD1 3.77Å; Y424-L428 HydrophobicContact CD2-CD1 4.44Å; Y424-L428 HydrophobicContact CE1-CD1 3.33Å; Y424-L428 HydrophobicContact CE2-CD1 4.06Å; Y424-L428 HydrophobicContact CG-CD1 4.3Å; Y424-L428 VanDerWaalsContact CZ-CD1 3.49Å; Y424-L428 WeakPolarHBondContact O-CB 3.31Å; Y424-L428 PolarHBondContact O-N 2.91Å; K425-L428 PolarHBondContact O-N 2.76Å; L428-Q431 PolarHBondContact O-N 3.21Å; L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.13Å; L428-S432 PolarHBondContact O-OG 3.22Å |
| 429 | S | 65 | Low | 68.1 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.8 | -32.8 | 175.4 | 100.4 | 0 | 0 | 0 | 0 | 112.2 | K425 K426 S432 H433 | K425-S429 WeakPolarHBondContact O-CB 3.5Å; K425-S429 PolarHBondContact O-N 3.17Å; K426-S429 PolarHBondContact O-N 3.24Å; K426-S429 PolarHBondContact O-OG 2.92Å; S429-S432 WeakPolarHBondContact CA-OG 3.27Å; S429-S432 PolarHBondContact O-OG 2Å; S429-S432 VanDerWaalsContact O-OG 3.07Å; S429-H433 WeakPolarHBondContact O-CB 3.38Å; S429-H433 PolarHBondContact O-N 3.32Å |
| 430 | H | 58.5 | Low | 66 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.7 | -31.3 | 172.2 | -116.1 | -80.5 | 0 | 0 | 0 | 112.8 | K426 R427 R434 | K426-H430 WeakPolarHBondContact O-CB 3.24Å; K426-H430 PolarHBondContact O-N 2.78Å; R427-H430 PolarHBondContact O-N 2.9Å; H430-R434 VanDerWaalsContact O-CB 3.29Å; H430-R434 WeakPolarHBondContact O-CB 3.42Å; H430-R434 WeakPolarHBondContact O-CG 3.39Å; H430-R434 PolarHBondContact O-N 3.29Å |
| 431 | Q | 60.2 | Low | 63.6 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.5 | -32.6 | 172.7 | -78.3 | -178.5 | -10.8 | 0 | 0 | 112.1 | R427 L428 K435 | R427-Q431 WeakPolarHBondContact O-CB 3.24Å; R427-Q431 WeakPolarHBondContact O-CG 3.42Å; R427-Q431 PolarHBondContact O-N 2.88Å; L428-Q431 PolarHBondContact O-N 3.21Å; Q431-K435 VanDerWaalsContact O-CB 3.29Å; Q431-K435 PolarHBondContact O-N 3.13Å; Q431-K435 WeakPolarHBondContact O-CB 3.37Å; Q431-K435 WeakPolarHBondContact O-CG 3.29Å |
| 432 | S | 58.5 | Low | 61.2 | Low | 57 Ų | 57 | 126 Ų | 126 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -75.5 | -30.3 | 172.6 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | L428 S429 R436 | L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.13Å; L428-S432 PolarHBondContact O-OG 3.22Å; S429-S432 WeakPolarHBondContact CA-OG 3.27Å; S429-S432 PolarHBondContact O-OG 2Å; S429-S432 VanDerWaalsContact O-OG 3.07Å; S432-R436 VanDerWaalsContact O-CB 3.29Å; S432-R436 WeakPolarHBondContact O-CB 3.37Å; S432-R436 VanDerWaalsContact O-CG 3.28Å; S432-R436 WeakPolarHBondContact O-CG 3.28Å; S432-R436 PolarHBondContact O-N 2.99Å; S432-R436 VanDerWaalsContact O-N 3.08Å |
| 433 | H | 55.2 | Low | 59 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.1 | -40.7 | 169.1 | -114.9 | -83.2 | 0 | 0 | 0 | 112.6 | S429 R436 L437 | S429-H433 WeakPolarHBondContact O-CB 3.38Å; S429-H433 PolarHBondContact O-N 3.32Å; H433-R436 PolarHBondContact O-N 3Å; H433-L437 WeakPolarHBondContact O-CB 3.06Å; H433-L437 WeakPolarHBondContact O-CD1 3.15Å; H433-L437 PolarHBondContact O-N 3.18Å |
| 434 | R | 52.8 | Low | 56.7 | Low | 187 Ų | 187 | 131 Ų | 131 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.6 | -33.4 | 174.7 | -82.5 | -173 | 173.8 | -174.4 | -1 | 113 | H430 S438 | H430-R434 VanDerWaalsContact O-CB 3.29Å; H430-R434 WeakPolarHBondContact O-CB 3.42Å; H430-R434 WeakPolarHBondContact O-CG 3.39Å; H430-R434 PolarHBondContact O-N 3.29Å; R434-S438 WeakPolarHBondContact O-CB 3.29Å; R434-S438 PolarHBondContact O-N 2.84Å |
| 435 | K | 53.4 | Low | 54.4 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75 | -24.8 | 171.4 | -75.3 | -178.6 | 174.9 | -176.6 | 0 | 113.4 | Q431 N439 | Q431-K435 VanDerWaalsContact O-CB 3.29Å; Q431-K435 PolarHBondContact O-N 3.13Å; Q431-K435 WeakPolarHBondContact O-CB 3.37Å; Q431-K435 WeakPolarHBondContact O-CG 3.29Å; K435-N439 WeakPolarHBondContact O-CB 3.5Å; K435-N439 PolarHBondContact O-N 2.64Å |
| 436 | R | 52.8 | Low | 52.2 | Low | 186 Ų | 186 | 128.4 Ų | 128.4 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83 | -23.6 | 172 | -79.1 | 178 | 175.2 | 179 | -1.6 | 114.2 | S432 H433 K440 | S432-R436 VanDerWaalsContact O-CB 3.29Å; S432-R436 WeakPolarHBondContact O-CB 3.37Å; S432-R436 VanDerWaalsContact O-CG 3.28Å; S432-R436 WeakPolarHBondContact O-CG 3.28Å; S432-R436 PolarHBondContact O-N 2.99Å; S432-R436 VanDerWaalsContact O-N 3.08Å; H433-R436 PolarHBondContact O-N 3Å; R436-K440 WeakPolarHBondContact O-CB 3.08Å |
| 437 | L | 51.4 | Low | 50.2 | Low | 116 Ų | 116 | 130 Ų | 130 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89 | -26.3 | 171.3 | -87.6 | 127.7 | 0 | 0 | 0 | 112.9 | H433 A441 | H433-L437 WeakPolarHBondContact O-CB 3.06Å; H433-L437 WeakPolarHBondContact O-CD1 3.15Å; H433-L437 PolarHBondContact O-N 3.18Å; L437-A441 WeakPolarHBondContact O-CB 3.39Å; L437-A441 PolarHBondContact O-N 3.21Å |
| 438 | S | 48.8 | Very low | 48.3 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.3 | -24.7 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 113.5 | R434 | R434-S438 WeakPolarHBondContact O-CB 3.29Å; R434-S438 PolarHBondContact O-N 2.84Å |
| 439 | N | 48 | Very low | 46.5 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -98 | 0.5 | 176 | -70.3 | 3.2 | 0 | 0 | 0 | 113.4 | K435 | K435-N439 WeakPolarHBondContact O-CB 3.5Å; K435-N439 PolarHBondContact O-N 2.64Å |
| 440 | K | 44.4 | Very low | 44.9 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 81% | 0.809 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -109.7 | 2.9 | 170.3 | -97.1 | -174.8 | 171.5 | -172.9 | 0 | 113.3 | R436 | R436-K440 WeakPolarHBondContact O-CB 3.08Š|
| 441 | A | 38.1 | Very low | 43.8 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -113.3 | 17.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L437 | L437-A441 WeakPolarHBondContact O-CB 3.39Å; L437-A441 PolarHBondContact O-N 3.21Å |
| 442 | L | 36.8 | Very low | 42.4 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -131.5 | 43.5 | 173.3 | -152.4 | 88.9 | 0 | 0 | 0 | 111 | ||
| 443 | E | 39.8 | Very low | 40.9 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -148.8 | 89.9 | 154 | -100.7 | 178 | 176.6 | 0 | 0 | 102.8 | ||
| 444 | T | 35.5 | Very low | 39.5 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | 81.8 | 122.2 | 111.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 445 | N | 32.7 | Very low | 38.2 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | cis | -175.1 | 145.8 | 5.9 | -115 | -12.4 | 0 | 0 | 0 | 109.2 | ||||
| 446 | I | 35.4 | Very low | 36.9 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | 79.3 | 101 | 142.2 | -57.8 | 161 | 0 | 0 | 0 | 115.9 | ||||
| 447 | E | 35.1 | Very low | 35.6 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | 83.4 | 156.3 | 66.9 | -87.8 | -161.1 | 167.1 | 0 | 0 | 114 | |||||
| 448 | P | 37.4 | Very low | 34.4 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | -137.2 | 178.8 | -66.7 | 32.7 | -10 | 0 | 0 | 0 | 111 | |||||
| 449 | H | 37.2 | Very low | 33.4 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | 172 | 130.1 | 124 | -97 | -77.7 | 0 | 0 | 0 | 112.5 | |||||
| 450 | N | 30.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -60.3 | 158.7 | 176.1 | -69.5 | -36.9 | 0 | 0 | 0 | 114.1 | ||||
| 451 | V | 34.9 | Very low | 31.6 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | 168 | 142.3 | 105.5 | 163.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 452 | S | 31.3 | Very low | 31.1 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 172.5 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 453 | Y | 26 | Very low | 30.9 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | 123.5 | 117.3 | 160.3 | -82.5 | -89 | 0 | 0 | 0 | 114.8 | ||||
| 454 | E | 26.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 52.6 | 149.2 | 124.8 | -117.8 | -178.4 | -154.2 | 0 | 0 | 122.6 | |||||
| 455 | K | 25.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | 82.7 | 113.8 | 155.7 | -69.3 | -166.6 | 175.6 | 163.2 | 0 | 118.1 | ||||
| 456 | L | 25.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | 79.4 | 132.5 | 90.2 | -93.4 | 112.6 | 0 | 0 | 0 | 113.4 | |||||
| 457 | I | 25.1 | Very low | 30 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | 79.3 | 111.6 | 137.9 | -72.8 | 177.1 | 0 | 0 | 0 | 117.6 | ||||
| 458 | T | 27.5 | Very low | 30 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 50.6 | 130.1 | 142 | 61.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 459 | A | 26.7 | Very low | 29.9 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | 147.8 | 146.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 460 | N | 28 | Very low | 29.7 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | cis | -166.1 | 163.1 | -7.4 | -115.2 | -11.1 | 0 | 0 | 0 | 105 | ||||
| 461 | C | 27.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -14.2 | 137.3 | 150 | -56 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 462 | D | 29.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | 157.3 | 140.4 | 138.6 | -80.9 | -16.8 | 0 | 0 | 0 | 106.7 | ||||
| 463 | S | 30.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -176.3 | 155.7 | 4.2 | 42.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 464 | N | 28.2 | Very low | 30 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 2 | 139.4 | 154.1 | -64.1 | -31.1 | 0 | 0 | 0 | 119 | ||||
| 465 | M | 30.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | -179.1 | 121.6 | 111.3 | -88.5 | -129.7 | 167.3 | 0 | 0 | 113.5 | |||||
| 466 | N | 33.8 | Very low | 31 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | 95.9 | 110.1 | 127.1 | -67.4 | -4.5 | 0 | 0 | 0 | 123 | |||||
| 467 | N | 32.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | 75.3 | 135.2 | 119.8 | -72.4 | -9 | 0 | 0 | 0 | 118.7 | |||||
| 468 | S | 34.1 | Very low | 31.6 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | cis | -176.6 | 156.5 | 13.2 | 39.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 469 | N | 35.9 | Very low | 31.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 101.3 | 101.8 | 144.6 | -65.4 | -20.3 | 0 | 0 | 0 | 121 | ||||
| 470 | N | 33.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | 66.9 | 136.7 | 124.2 | -66 | -11.6 | 0 | 0 | 0 | 117.9 | |||||
| 471 | S | 34.5 | Very low | 32.2 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -176.9 | 160.5 | 5 | 47.4 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 472 | N | 30.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | cis | -173.7 | 147.8 | 20 | -127.3 | -8.3 | 0 | 0 | 0 | 107.8 | ||||
| 473 | I | 31.3 | Very low | 32.7 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | 77.1 | 136.4 | 148.2 | -52.9 | 156.6 | 0 | 0 | 0 | 118.3 | ||||
| 474 | Q | 33.6 | Very low | 32.9 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | cis | -177.2 | 163.8 | -45.3 | -110.2 | -129.4 | -29.1 | 0 | 0 | 106.9 | ||||
| 475 | P | 39.4 | Very low | 33.1 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 57% | 0.565 | 74% | 0.742 | S | S | * | * | trans | -128.9 | -168.2 | -146.1 | 43.5 | -27.9 | 0 | 0 | 0 | 113.9 | ||||
| 476 | F | 33 | Very low | 33 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -159.6 | 101.9 | 148.1 | -94.1 | -78.7 | 0 | 0 | 0 | 109.2 | ||||
| 477 | T | 33.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | 68.2 | 109.8 | 99.9 | 58.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 478 | Q | 30.7 | Very low | 33 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | 80.8 | 132.8 | 79.6 | -95.5 | -173.9 | -15.3 | 0 | 0 | 115 | |||||
| 479 | I | 32.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | -172.9 | 150.4 | 122 | -86.4 | 151.4 | 0 | 0 | 0 | 110.5 | |||||
| 480 | N | 28.1 | Very low | 32.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -109.5 | -172 | -154.4 | -137.4 | -13.5 | 0 | 0 | 0 | 113.3 | ||||
| 481 | L | 33.9 | Very low | 32 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 108.1 | 135.3 | 156.5 | -56.2 | 162.6 | 0 | 0 | 0 | 115.3 | ||||
| 482 | N | 31.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | -173.4 | 157.2 | -11.7 | -109.7 | -4.2 | 0 | 0 | 0 | 108.5 | ||||
| 483 | P | 35.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -107.4 | 154.5 | 177 | 37.7 | -28.1 | 0 | 0 | 0 | 114.3 | ||||
| 484 | I | 35.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -144.6 | 128.1 | -179.4 | -64 | -177.3 | 0 | 0 | 0 | 114.2 | ||||
| 485 | N | 32.9 | Very low | 31 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 71 | 96.9 | 147.4 | -68 | -10.1 | 0 | 0 | 0 | 126.7 | ||||
| 486 | S | 27.4 | Very low | 30.4 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | 0.8 | 151.1 | 116.6 | 62 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 487 | N | 28.2 | Very low | 30 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 92.5 | 116.9 | 136.3 | -74.2 | -10.6 | 0 | 0 | 0 | 122.8 | ||||
| 488 | Q | 38.1 | Very low | 29.6 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -174.4 | 81.9 | 133.7 | -99.5 | 175.8 | 14.7 | 0 | 0 | 108.2 | ||||
| 489 | N | 27.6 | Very low | 29.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | 50.6 | 116.4 | 84.7 | -92.5 | -5.5 | 0 | 0 | 0 | 118 | |||||
| 490 | H | 27.1 | Very low | 29.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | trans | 58.8 | 118.8 | 142.5 | -78.2 | -77.2 | 0 | 0 | 0 | 120.1 | ||||
| 491 | K | 28.3 | Very low | 29 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | 174 | 143.9 | 110.3 | -114.3 | 171.6 | 172.7 | 174 | 0 | 115 | |||||
| 492 | I | 32.2 | Very low | 28.7 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 88 | 91.4 | 153.6 | -56 | 148.6 | 0 | 0 | 0 | 114.3 | ||||
| 493 | C | 24.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | 78.8 | 101.6 | 72.9 | -68 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 494 | T | 25.8 | Very low | 28 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | 57.7 | 147.2 | 128.4 | 54.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 495 | D | 27.8 | Very low | 27.5 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 101.5 | 130.2 | 160.5 | -56.9 | -17.1 | 0 | 0 | 0 | 115.7 | ||||
| 496 | F | 25.6 | Very low | 27.2 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | cis | -170.3 | 121.5 | 10.8 | -131.8 | -116.3 | 0 | 0 | 0 | 107.2 | ||||
| 497 | I | 25.2 | Very low | 27.1 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | 39.1 | 123 | 106.3 | -59.5 | 178.2 | 0 | 0 | 0 | 118.1 | |||||
| 498 | S | 24.7 | Very low | 27 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | 69.8 | 122.7 | 152.3 | 75 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 499 | T | 26.2 | Very low | 26.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | 168 | 153.3 | 84 | 26.6 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 500 | S | 25.2 | Very low | 26.4 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | cis | -172.8 | 144.7 | -6.8 | 42.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 501 | S | 27.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -29.5 | 139 | 150.1 | 52 | 0 | 0 | 0 | 0 | 112 | ||||
| 502 | K | 26.6 | Very low | 26.6 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.787 | 71% | 0.713 | S | S | * | * | trans | -176.5 | 123.3 | 138.8 | -98.8 | -177 | -175.9 | 177.2 | 0 | 111.6 | ||||
| 503 | L | 26.6 | Very low | 26.4 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 66.4 | 115 | 144.1 | -75.5 | 89.2 | 0 | 0 | 0 | 118.9 | ||||
| 504 | H | 25.4 | Very low | 26.6 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | 80.8 | 119.9 | 68.1 | -152.9 | 63.9 | 0 | 0 | 0 | 112 | |||||
| 505 | N | 25.2 | Very low | 26.8 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 54% | 0.535 | 71% | 0.706 | S | S | . | * | trans | 66.6 | 127.3 | 152 | -79.4 | 18.6 | 0 | 0 | 0 | 119.9 | ||||
| 506 | E | 25.9 | Very low | 26.8 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | 91.2 | 125.4 | 125 | -84 | 176.7 | -136.3 | 0 | 0 | 119 | |||||
| 507 | N | 26.7 | Very low | 27 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | 101.8 | 118.3 | 127.1 | -73.2 | -13.5 | 0 | 0 | 0 | 118.5 | |||||
| 508 | L | 25.8 | Very low | 27 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | trans | 68.1 | 102.6 | 130.5 | -85.3 | 101.2 | 0 | 0 | 0 | 115.4 | ||||
| 509 | S | 25.6 | Very low | 27.2 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | 81.8 | 139.7 | 85 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 510 | N | 26.6 | Very low | 27.2 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | 78.4 | 118.8 | 170.9 | -46.9 | -35.2 | 0 | 0 | 0 | 111.3 | ||||
| 511 | I | 32.4 | Very low | 27.3 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | -165.8 | 102.1 | 67.5 | -80.2 | 162.7 | 0 | 0 | 0 | 104.1 | |||||
| 512 | R | 27 | Very low | 27.3 | Very low | 215 Ų | 215 | 145.9 Ų | 145.9 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | 22 | 117.3 | 96.8 | -80.6 | -168.8 | -173.6 | 176.3 | 3 | 111.3 | |||||
| 513 | E | 28.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | 158.7 | 172.1 | 65.1 | -141.7 | 176.9 | -151.9 | 0 | 0 | 107.3 | |||||
| 514 | I | 29.1 | Very low | 27.4 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | 80.4 | 125.7 | 152.3 | -64.3 | 155.7 | 0 | 0 | 0 | 115.1 | ||||
| 515 | D | 31.1 | Very low | 27.4 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | cis | -165.5 | 136.8 | 8.1 | -108.1 | -19.9 | 0 | 0 | 0 | 108.8 | ||||
| 516 | K | 26.1 | Very low | 27.4 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | 37.6 | 113.6 | 105.2 | -67.8 | 177.3 | -178.1 | 165.9 | 0 | 116.2 | |||||
| 517 | I | 31.1 | Very low | 27.4 | Very low | 177 Ų | 177 | 145 Ų | 145 | 91% | 0.908 | 73% | 0.732 | S | S | * | * | -146.2 | 137.2 | 126.3 | -64.2 | -165.7 | 0 | 0 | 0 | 109 | |||||
| 518 | Q | 25.3 | Very low | 27.6 | Very low | 152 Ų | 152 | 148 Ų | 148 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | trans | -123.3 | 154.2 | -169.1 | -167.1 | 172.6 | -0.7 | 0 | 0 | 106.7 | ||||
| 519 | Q | 27.6 | Very low | 27.5 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 72 | 144.9 | 158.2 | -87.6 | 169.5 | 19.9 | 0 | 0 | 116.3 | ||||
| 520 | I | 27.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 152 Ų | 152 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | cis | -166.6 | 130.2 | 44.7 | -95.2 | 127.3 | 0 | 0 | 0 | 106.4 | ||||
| 521 | D | 25.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | 56.5 | 123.1 | 106.2 | -135.9 | -1.5 | 0 | 0 | 0 | 115.8 | |||||
| 522 | D | 28.7 | Very low | 27.3 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -168.1 | 123.8 | 135.5 | -97.7 | -23 | 0 | 0 | 0 | 112.8 | ||||
| 523 | R | 24.8 | Very low | 27.3 | Very low | 214 Ų | 214 | 147.9 Ų | 147.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -75.6 | 147.6 | 168 | -56.6 | 173.4 | -172 | -172.2 | 1.6 | 109.6 | ||||
| 524 | I | 29.4 | Very low | 27.2 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -170.1 | 110.6 | 150.8 | -93.2 | 140.9 | 0 | 0 | 0 | 105.2 | ||||
| 525 | N | 25.4 | Very low | 27.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | 55.2 | 132.2 | 93.5 | -70.9 | -4.7 | 0 | 0 | 0 | 111.5 | |||||
| 526 | D | 26.6 | Very low | 27 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -161.4 | 147.3 | 15.1 | -91.3 | -45.9 | 0 | 0 | 0 | 104.8 | ||||
| 527 | G | 25 | Very low | 27.1 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | 88.8 | 100.6 | 98.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 528 | N | 30 | Very low | 27.1 | Very low | 177 Ų | 177 | 141 Ų | 141 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | trans | -171.8 | 106 | 133.4 | -92.3 | -23.9 | 0 | 0 | 0 | 112.3 | ||||
| 529 | K | 25.5 | Very low | 27.4 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -77.1 | 154 | 155.6 | -75.9 | 172.8 | 172.2 | 172.8 | 0 | 108.9 | ||||
| 530 | C | 25.3 | Very low | 27.6 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | 175.9 | 106.5 | 134.7 | -90.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 531 | Y | 28 | Very low | 27.9 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | 75 | 114.7 | 113 | -68.8 | -77.3 | 0 | 0 | 0 | 115.9 | |||||
| 532 | L | 25.5 | Very low | 27.9 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | 83.3 | 126.8 | 68.4 | -150.2 | 104 | 0 | 0 | 0 | 112.6 | |||||
| 533 | G | 27.2 | Very low | 28.2 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | 178.3 | 84.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 534 | D | 26.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | -55.5 | 156.8 | 175.6 | -60.1 | -57.4 | 0 | 0 | 0 | 114.8 | ||||
| 535 | L | 29 | Very low | 28.5 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | -173.7 | 131.8 | 119 | -100.1 | 146.5 | 0 | 0 | 0 | 114 | |||||
| 536 | L | 27.1 | Very low | 28.6 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | trans | -80.8 | 171.6 | -171.7 | -79.1 | 144.9 | 0 | 0 | 0 | 116.5 | ||||
| 537 | N | 28.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 51% | 0.513 | 74% | 0.74 | S | S | . | * | trans | 87 | 130.7 | 148.1 | -74.6 | -18.4 | 0 | 0 | 0 | 117.5 | ||||
| 538 | N | 31.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | -163.7 | 151.3 | 52.2 | -135 | -12.8 | 0 | 0 | 0 | 115.1 | Y728 | N538-Y728 WeakPolarHBondContact O-CE1 3.5Å; N538-Y728 PolarHBondContact O-OH 2.91Å | |||
| 539 | N | 30.5 | Very low | 28.7 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 46% | 0.455 | 75% | 0.747 | S | S | . | * | trans | -82.5 | 158.1 | -175.6 | -77.4 | -51.6 | 0 | 0 | 0 | 115.4 | Y728 N730 | N539-Y728 WeakPolarHBondContact CA-OH 3.44Å; N539-N730 VanDerWaalsContact CG-ND2 3.28Å; N539-N730 PolarHBondContact ND2-ND2 3.29Å; N539-N730 PolarHBondContact OD1-ND2 3.01Å | ||
| 540 | N | 32.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | 169.8 | 112.6 | 123.8 | -81.8 | -20.3 | 0 | 0 | 0 | 113 | Y728 | N540-Y728 PolarHBondContact N-OH 3.47Š| |||
| 541 | N | 32.4 | Very low | 28.9 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | 177.7 | 139.1 | 112.2 | -87.8 | -19.6 | 0 | 0 | 0 | 113 | |||||
| 542 | K | 27.3 | Very low | 29.1 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | -128.8 | 136.6 | -157.8 | -172.9 | -169.8 | -167.9 | -176.9 | 0 | 108.4 | ||||
| 543 | S | 33.7 | Very low | 29.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 159.1 | 145.2 | 154.6 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 544 | I | 31.1 | Very low | 29.2 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | cis | -167.9 | 119.7 | 3.7 | -97 | 157.7 | 0 | 0 | 0 | 103.1 | ||||
| 545 | L | 30.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 87.8 | 104.4 | 87.4 | -127.2 | 141.1 | 0 | 0 | 0 | 116.1 | |||||
| 546 | Q | 25.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 11.1 | 146.5 | 143.4 | -90 | 168.3 | -30.8 | 0 | 0 | 124.1 | ||||
| 547 | S | 28.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 110.6 | 119.8 | 134.5 | 76.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 548 | K | 29.6 | Very low | 30 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | -178.7 | 132.1 | 112.5 | -96.6 | 171.1 | -178.5 | -179.5 | 0 | 112.2 | |||||
| 549 | L | 26.3 | Very low | 30.1 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -99.6 | 154.4 | 169.8 | -107.8 | 156 | 0 | 0 | 0 | 108.1 | ||||
| 550 | L | 27.8 | Very low | 30 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | 87.8 | 126.6 | 167 | -85.4 | 89 | 0 | 0 | 0 | 121.4 | ||||
| 551 | N | 27.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 114.4 | 141.6 | -63.9 | -4.3 | 0 | 0 | 0 | 120.3 | ||||
| 552 | H | 32.4 | Very low | 29.7 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | -169.7 | 147.9 | 101.1 | -104.3 | -74.1 | 0 | 0 | 0 | 113.2 | |||||
| 553 | S | 27.8 | Very low | 29.7 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 152 | -173.2 | 51.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 554 | M | 27.6 | Very low | 29.4 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 61.4 | 118 | 140.4 | -68.3 | -177.9 | -178.7 | 0 | 0 | 120.5 | ||||
| 555 | K | 33.5 | Very low | 29.3 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | -149.5 | 136.3 | 125.2 | -110.1 | 176.8 | -176.4 | -178.1 | 0 | 111 | |||||
| 556 | Q | 30.7 | Very low | 29 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 165.4 | -167.7 | -65.8 | 172.8 | -19.8 | 0 | 0 | 113.9 | ||||
| 557 | G | 31.6 | Very low | 29.1 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 111.8 | 120.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 558 | T | 32.1 | Very low | 29 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | cis | -162.1 | 164.1 | 17.7 | 29.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 559 | P | 33.2 | Very low | 28.7 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -116.9 | 176.4 | -145.2 | 40.7 | -30.1 | 0 | 0 | 0 | 116.3 | ||||
| 560 | S | 29 | Very low | 28.7 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 109.5 | 151.8 | 144 | 79.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 561 | P | 30.5 | Very low | 28.6 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -126.2 | 151.9 | -18.8 | 24.5 | -3.3 | 0 | 0 | 0 | 114.2 | ||||
| 562 | Q | 27.6 | Very low | 28.5 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -58.2 | 140.8 | 157.4 | -64.8 | 161.8 | -47.1 | 0 | 0 | 110.5 | ||||
| 563 | S | 27.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -130 | 95.5 | 140 | 68.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 564 | S | 25.8 | Very low | 28 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -49.4 | 137.5 | 139 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 565 | D | 29.3 | Very low | 27.9 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 173.8 | 110.5 | 142.2 | -81.3 | -20.4 | 0 | 0 | 0 | 106.4 | ||||
| 566 | M | 25.3 | Very low | 27.6 | Very low | 178 Ų | 178 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | 49.2 | 118.4 | 81.7 | -82.8 | -77 | -79.9 | 0 | 0 | 113 | |||||
| 567 | G | 26.6 | Very low | 27.2 | Very low | 59 Ų | 59 | 129.2 Ų | 129.2 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 107.6 | 127 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 568 | Y | 26 | Very low | 27 | Very low | 207 Ų | 207 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | cis | -156.2 | 124.2 | 4.9 | -93.6 | -88.8 | 0 | 0 | 0 | 106.6 | T570 | Y568-T570 HydrophobicContact CD1-CG2 3.63Å; Y568-T570 VanDerWaalsContact O-N 3.13Å; Y568-T570 PolarHBondContact O-N 3.32Å; Y568-T570 HydrophobicContact CG-CG2 4.09Å | ||
| 569 | L | 24.3 | Very low | 26.8 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -73 | 87.9 | 149 | -82.7 | 164.2 | 0 | 0 | 0 | 105.5 | ||||
| 570 | T | 26.8 | Very low | 26.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | -110.6 | 111.3 | 164.8 | 45.7 | 0 | 0 | 0 | 0 | 108.3 | Y568 | Y568-T570 HydrophobicContact CD1-CG2 3.63Å; Y568-T570 VanDerWaalsContact O-N 3.13Å; Y568-T570 PolarHBondContact O-N 3.32Å; Y568-T570 HydrophobicContact CG-CG2 4.09Å | ||
| 571 | S | 24.5 | Very low | 26.5 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -40.5 | 131.1 | 152.8 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 572 | N | 26.4 | Very low | 26.2 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -122.1 | 80.9 | 143.7 | -102.2 | 0.1 | 0 | 0 | 0 | 107.5 | ||||
| 573 | A | 23.6 | Very low | 26.3 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -85.1 | 107.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 574 | S | 24.7 | Very low | 26.4 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 52% | 0.517 | 76% | 0.76 | S | S | . | * | trans | -161.9 | 121.2 | 160.4 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 575 | Q | 26.7 | Very low | 26.6 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 96.8 | 139.4 | -64.2 | 166.7 | -5.2 | 0 | 0 | 117.9 | ||||
| 576 | N | 27.2 | Very low | 26.7 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | -124.7 | 103.4 | 120.1 | -93.1 | -17.4 | 0 | 0 | 0 | 107.3 | |||||
| 577 | C | 22.9 | Very low | 27 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | -92.9 | 158.6 | 162.4 | -81.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 578 | E | 26.7 | Very low | 27.2 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | 78.9 | 126.6 | 166.9 | -67.7 | 175 | -179.5 | 0 | 0 | 114.5 | ||||
| 579 | S | 27.5 | Very low | 27.2 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -172.8 | 148 | 22.7 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 580 | L | 26 | Very low | 27.4 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 89.2 | 117.2 | 139.2 | -73.9 | 158.7 | 0 | 0 | 0 | 121.5 | ||||
| 581 | I | 29.4 | Very low | 27.4 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 82.6 | 131.7 | 140 | -57.8 | 159.9 | 0 | 0 | 0 | 115.5 | ||||
| 582 | D | 25.9 | Very low | 27.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | cis | 179.6 | 154.3 | -19.6 | -135.4 | -21.8 | 0 | 0 | 0 | 104.1 | ||||
| 583 | L | 29.5 | Very low | 27.4 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | 72.2 | 128.8 | 163.1 | -52.9 | 154.1 | 0 | 0 | 0 | 116.4 | ||||
| 584 | N | 29.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | cis | -164.8 | 147.5 | 16.4 | -154 | 10.7 | 0 | 0 | 0 | 107.8 | ||||
| 585 | P | 29.3 | Very low | 27.7 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | trans | -93 | 151.4 | -174.4 | 34.6 | -24.8 | 0 | 0 | 0 | 111.9 | ||||
| 586 | N | 31.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 175.3 | 138.3 | 130.2 | -89.7 | -23.2 | 0 | 0 | 0 | 113.4 | ||||
| 587 | H | 32.5 | Very low | 27.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 70% | 0.704 | 75% | 0.751 | S | S | * | * | trans | 84.5 | 96.5 | 159.8 | -71.6 | -63.6 | 0 | 0 | 0 | 121 | ||||
| 588 | N | 29.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | 39.3 | 139.6 | 106.8 | -59.6 | 5 | 0 | 0 | 0 | 117.5 | |||||
| 589 | E | 26.7 | Very low | 27.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -175 | 173.4 | 1.1 | -105.1 | -179.7 | 139.9 | 0 | 0 | 105.2 | ||||
| 590 | Y | 29 | Very low | 27.9 | Very low | 183 Ų | 183 | 149 Ų | 149 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 94.5 | 94.8 | 159.1 | -77.1 | -82.6 | 0 | 0 | 0 | 121.1 | ||||
| 591 | N | 27.1 | Very low | 28 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | 66.2 | 108.6 | 117.6 | -81.6 | -7.8 | 0 | 0 | 0 | 122.6 | |||||
| 592 | S | 25.3 | Very low | 27.8 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | 89.3 | 133.2 | 111.6 | 81.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 593 | S | 25.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 84.6 | 74.5 | 149 | -41.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 594 | I | 26.2 | Very low | 27.6 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | -126.1 | 99 | 156.7 | -60.1 | -179.1 | 0 | 0 | 0 | 109.8 | Q596 | I594-Q596 PolarHBondContact O-N 3.39Š| ||
| 595 | K | 27.4 | Very low | 27.3 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -67.5 | 113 | 156.3 | -84.2 | -179.6 | 174.3 | 178 | 0 | 107.5 | L597 | K595-L597 PolarHBondContact O-N 3.22Å; K595-L597 VanDerWaalsContact O-N 3.12Å | ||
| 596 | Q | 27.2 | Very low | 27.1 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -63.9 | 108 | 173.8 | -75.9 | 178.8 | -10.7 | 0 | 0 | 110.7 | I594 | I594-Q596 PolarHBondContact O-N 3.39Š| ||
| 597 | L | 25.5 | Very low | 26.9 | Very low | 167 Ų | 167 | 150 Ų | 150 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -83 | 122.2 | 158.8 | -82.1 | 153.7 | 0 | 0 | 0 | 108 | K595 | K595-L597 PolarHBondContact O-N 3.22Å; K595-L597 VanDerWaalsContact O-N 3.12Å |
| 598 | K | 27.8 | Very low | 26.6 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77 | 131.1 | 166.8 | -80.3 | -175.2 | 174.6 | -177.5 | 0 | 109.6 | ||
| 599 | P | 28.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 133.5 | 178.6 | 31 | -30.5 | 0 | 0 | 0 | 111.3 | ||
| 600 | R | 27.5 | Very low | 26.5 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 120.3 | 159.7 | -81.4 | -176 | 173.2 | -177.1 | -3.2 | 107.7 | Y602 | R600-Y602 HydrophobicContact CB-CE2 4.5Š|
| 601 | V | 27.7 | Very low | 26.4 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 62% | 0.618 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 126.8 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | Y603 | V601-Y603 HydrophobicContact CG1-CE2 4.01Å; V601-Y603 HydrophobicContact CG1-CD2 4.48Å; V601-Y603 HydrophobicContact CG1-CE1 4.25Å |
| 602 | Y | 26.5 | Very low | 26.6 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | trans | -105.3 | 133.9 | 168.9 | -67.6 | -84.6 | 0 | 0 | 0 | 108.7 | R600 | R600-Y602 HydrophobicContact CB-CE2 4.5Š| ||
| 603 | Y | 24.9 | Very low | 26.6 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -102.6 | 129.7 | 171.2 | -62.7 | -82.3 | 0 | 0 | 0 | 109.9 | V601 | V601-Y603 HydrophobicContact CG1-CE2 4.01Å; V601-Y603 HydrophobicContact CG1-CD2 4.48Å; V601-Y603 HydrophobicContact CG1-CE1 4.25Å | ||
| 604 | T | 25.1 | Very low | 26.8 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -105.2 | 118.6 | 167.9 | 42.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 605 | L | 24.7 | Very low | 26.8 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -92 | 118.7 | 171.4 | -121.9 | 105.1 | 0 | 0 | 0 | 109.7 | ||||
| 606 | G | 24.9 | Very low | 26.7 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -114.6 | 129 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 607 | V | 26.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 123.2 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 608 | R | 26.1 | Very low | 26.8 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -110.4 | 120.2 | 171.8 | -158 | 175.6 | -171 | 175 | 2.1 | 108.9 | ||||
| 609 | S | 26 | Very low | 26.6 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 125.7 | 176.8 | 168 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 610 | G | 27.7 | Very low | 26.7 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 175.5 | 125 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H612 | G610-H612 VanDerWaalsContact O-N 3.1Å; G610-H612 PolarHBondContact O-N 3.21Å | ||
| 611 | N | 27.3 | Very low | 26.6 | Very low | 158 Ų | 158 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -45.9 | 109.3 | -179 | -64.8 | -23.9 | 0 | 0 | 0 | 112.2 | ||
| 612 | H | 31.2 | Very low | 26.7 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 159.3 | 138.8 | 154.4 | -80 | -54.2 | 0 | 0 | 0 | 107.3 | G610 | G610-H612 VanDerWaalsContact O-N 3.1Å; G610-H612 PolarHBondContact O-N 3.21Å |
| 613 | S | 25.5 | Very low | 27 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -49.2 | 124 | -174.4 | -22.3 | 0 | 0 | 0 | 0 | 112.4 | E615 | S613-E615 PolarHBondContact O-N 3.14Š| ||
| 614 | P | 29.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 107.4 | 176.1 | 29.7 | -27 | 0 | 0 | 0 | 110.3 | ||||
| 615 | E | 25.2 | Very low | 27.5 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 127.1 | 160.1 | -85.1 | -177.3 | 144.9 | 0 | 0 | 109.7 | S613 | S613-E615 PolarHBondContact O-N 3.14Š| ||
| 616 | L | 27 | Very low | 27.6 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 105.9 | 171.9 | -89.7 | 158.1 | 0 | 0 | 0 | 109.7 | Y618 | L616-Y618 HydrophobicContact CB-CE2 4.19Å; L616-Y618 HydrophobicContact CD2-CE2 4.37Å | ||
| 617 | I | 26 | Very low | 27.9 | Very low | 152 Ų | 152 | 149 Ų | 149 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -93.9 | 116.2 | 170.8 | -58.4 | 172.7 | 0 | 0 | 0 | 108.2 | ||||
| 618 | Y | 26.9 | Very low | 28.1 | Very low | 174 Ų | 174 | 151.1 Ų | 151.1 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 126.9 | 168.2 | -70.9 | -85.9 | 0 | 0 | 0 | 109.5 | L616 | L616-Y618 HydrophobicContact CB-CE2 4.19Å; L616-Y618 HydrophobicContact CD2-CE2 4.37Å | ||
| 619 | S | 25.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -105.7 | 122.8 | 165.1 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 620 | L | 29 | Very low | 28.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -83.7 | 114.8 | 163.4 | -108.7 | 93.6 | 0 | 0 | 0 | 108 | ||||
| 621 | N | 27.1 | Very low | 28.4 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -70.3 | 127.1 | 158.6 | -88.4 | -13.3 | 0 | 0 | 0 | 108 | ||
| 622 | N | 28.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 83.3 | 61.2 | -179.1 | -63 | -11.9 | 0 | 0 | 0 | 117.3 | ||
| 623 | T | 32.8 | Very low | 28.5 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | trans | 179.9 | 136.9 | 135.5 | 40.4 | 0 | 0 | 0 | 0 | 109.9 | E625 | T623-E625 PolarHBondContact O-N 3.1Š| ||
| 624 | N | 29.5 | Very low | 28.9 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 97% | 0.968 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 29.4 | -172.8 | -95.2 | -16.8 | 0 | 0 | 0 | 115.9 | ||||
| 625 | E | 31.7 | Very low | 29 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -110.8 | 111.5 | -176.9 | -70 | -174.7 | 163.3 | 0 | 0 | 112 | T623 | T623-E625 PolarHBondContact O-N 3.1Š| ||
| 626 | K | 27.2 | Very low | 29.1 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -85.8 | 112.4 | 170.5 | -73.3 | -179.1 | 177.8 | 179.7 | 0 | 109.1 | ||||
| 627 | H | 31.2 | Very low | 29.3 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -110.4 | 122.4 | 165.1 | -75 | -66.3 | 0 | 0 | 0 | 110.7 | ||||
| 628 | H | 30 | Very low | 29.5 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -84.2 | 133.8 | 173.6 | -79.2 | -84.8 | 0 | 0 | 0 | 110.1 | ||||
| 629 | L | 29.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -121.6 | 113.4 | 169.1 | -98.4 | 139.5 | 0 | 0 | 0 | 109.6 | ||||
| 630 | T | 27 | Very low | 29.9 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -88 | 128.2 | 171 | 34 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 631 | C | 28.6 | Very low | 30 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 125.4 | 168.9 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 632 | S | 29.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 153.8 Ų | 153.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 139.9 | 173.9 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 633 | I | 31.8 | Very low | 30 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 116.1 | 175.6 | -62.7 | 166.2 | 0 | 0 | 0 | 107.5 | ||
| 634 | D | 33.6 | Very low | 29.9 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 123.1 | 165.4 | -94.8 | -27.4 | 0 | 0 | 0 | 109.6 | ||
| 635 | Q | 31.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.7 | 176.1 | -65.2 | 177.8 | -29.3 | 0 | 0 | 109.2 | ||
| 636 | D | 28.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | 176.9 | 111.5 | 138.4 | -88.5 | -23.5 | 0 | 0 | 0 | 108.1 | ||||
| 637 | Y | 30.3 | Very low | 30.2 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | 164 | 125.8 | 140.8 | -89.2 | -68.7 | 0 | 0 | 0 | 110.8 | ||||
| 638 | S | 31.2 | Very low | 30.3 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 146.3 | -172.3 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 639 | I | 28.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -88.1 | 124 | -176.4 | -62.7 | 163.7 | 0 | 0 | 0 | 110.8 | ||||
| 640 | S | 30.4 | Very low | 30 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -154.5 | 127.8 | 148.8 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 641 | D | 31.7 | Very low | 30 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | 86 | 87.8 | 161.3 | -58.5 | -22.4 | 0 | 0 | 0 | 121 | ||||
| 642 | N | 29 | Very low | 30.1 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | 36.8 | 81.2 | 124.6 | -69.1 | -16.8 | 0 | 0 | 0 | 118.8 | |||||
| 643 | S | 27.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 176.6 | 101.9 | 134.7 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 644 | L | 29.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -137.1 | 114.6 | 174.3 | -94.1 | 115.8 | 0 | 0 | 0 | 112.9 | ||||
| 645 | S | 29.1 | Very low | 29.9 | Very low | 88 Ų | 88 | 144.1 Ų | 144.1 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 147 | 156 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | K647 | S645-K647 PolarHBondContact O-N 3.29Š| ||
| 646 | P | 31.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -76 | 112.1 | -176 | 30.4 | -31.3 | 0 | 0 | 0 | 111 | ||||
| 647 | K | 34.6 | Very low | 29.6 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | -113.2 | 116.1 | 164.1 | -85.4 | -171.8 | 175.1 | -175.6 | 0 | 109.9 | S645 | S645-K647 PolarHBondContact O-N 3.29Š| ||
| 648 | Q | 32.9 | Very low | 29.4 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | 61.1 | 110.4 | 149.5 | -67.8 | 172.8 | -37.1 | 0 | 0 | 119 | ||||
| 649 | M | 25.9 | Very low | 29.3 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 117 | 161.4 | -163.1 | 166.5 | 129.7 | 0 | 0 | 106.6 | ||||
| 650 | S | 27.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -133.5 | 118.9 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 651 | C | 27.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -104.8 | 126.4 | 166.8 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 652 | S | 30.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -118.2 | 133.8 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 653 | P | 32.4 | Very low | 29.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 136.6 | 163.7 | 13.5 | -0.6 | 0 | 0 | 0 | 109.4 | S655 | P653-S655 PolarHBondContact O-N 3.08Š| ||
| 654 | E | 28.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -58.6 | 116.4 | -178 | -67.4 | 177.1 | 154.5 | 0 | 0 | 112.4 | ||
| 655 | S | 30.4 | Very low | 29.3 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -174.4 | 107.6 | 130.9 | 32 | 0 | 0 | 0 | 0 | 110.9 | P653 | P653-S655 PolarHBondContact O-N 3.08Š|
| 656 | Y | 28.3 | Very low | 29.2 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 89.6 | 158.5 | -69.3 | -83.9 | 0 | 0 | 0 | 120.1 | ||||
| 657 | S | 25.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -9.1 | 120.4 | 150.9 | 56.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 658 | F | 26.2 | Very low | 29 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -111 | 111.2 | 141.9 | -113.7 | -92.6 | 0 | 0 | 0 | 107.8 | M253 Q660 | M253-F658 HydrophobicContact CE-CE2 4.03Å; M253-F658 HydrophobicContact CE-CZ 4.31Å; F658-Q660 PolarHBondContact O-N 3.31Å | ||
| 659 | H | 28.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 63% | 0.625 | 77% | 0.77 | S | S | * | * | trans | -67.5 | 110 | 174.9 | -85.4 | -78.2 | 0 | 0 | 0 | 110.7 | H661 | H659-H661 AromaticContact CE1-NE2 3.81Å; H659-H661 PolarHBondContact ND1-NE2 2.89Å; H659-H661 AromaticContact ND1-NE2 3.49Å; H659-H661 AromaticContact ND1-CD2 3.52Å | ||
| 660 | Q | 28.1 | Very low | 29 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -99.9 | 96.1 | 146.3 | -90.5 | -177.2 | -20.1 | 0 | 0 | 107.1 | F658 S662 | F658-Q660 PolarHBondContact O-N 3.31Å; Q660-S662 PolarHBondContact O-N 2.89Å | ||
| 661 | H | 30 | Very low | 29.1 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 112 | 165.1 | -98.4 | -77.9 | 0 | 0 | 0 | 108.8 | H659 D663 | H659-H661 AromaticContact CE1-NE2 3.81Å; H659-H661 PolarHBondContact ND1-NE2 2.89Å; H659-H661 AromaticContact ND1-NE2 3.49Å; H659-H661 AromaticContact ND1-CD2 3.52Å; H661-D663 IonicContact CE1-OD1 3.59Å; H661-D663 IonicContact ND1-OD1 3.65Å; H661-D663 PolarHBondContact ND1-OD1 3.39Å; H661-D663 IonicContact ND1-OD2 3.91Å | ||
| 662 | S | 27.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -99.8 | 89.6 | 157 | 61.1 | 0 | 0 | 0 | 0 | 107.7 | Q660 K664 | Q660-S662 PolarHBondContact O-N 2.89Å; S662-K664 PolarHBondContact O-N 3.38Å | ||
| 663 | D | 31 | Very low | 29 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 110.7 | 173.7 | -72.6 | -13.3 | 0 | 0 | 0 | 109.5 | H661 | H661-D663 IonicContact CE1-OD1 3.59Å; H661-D663 IonicContact ND1-OD1 3.65Å; H661-D663 PolarHBondContact ND1-OD1 3.39Å; H661-D663 IonicContact ND1-OD2 3.91Å | ||
| 664 | K | 27.4 | Very low | 28.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 118 | 163.2 | -75.1 | 175.4 | 176.8 | 173.9 | 0 | 108.2 | S662 | S662-K664 PolarHBondContact O-N 3.38Š| ||
| 665 | H | 32.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -96.1 | 114.5 | 157.9 | -87.6 | -66.6 | 0 | 0 | 0 | 110 | ||||
| 666 | Q | 27 | Very low | 28.6 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -70.5 | 134.1 | 160.1 | -90 | 171.4 | -43.9 | 0 | 0 | 109.4 | ||||
| 667 | Y | 32.8 | Very low | 28.4 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -134.9 | 122.1 | 152.7 | -103.7 | -82.1 | 0 | 0 | 0 | 109.4 | ||||
| 668 | G | 29.1 | Very low | 28.5 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 57.8 | 107.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 669 | S | 26.6 | Very low | 28.5 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -41.7 | 137.2 | 157.2 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 670 | Q | 32.3 | Very low | 28.5 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | 175.8 | 114.8 | 110.7 | -93.6 | -178.7 | 3.5 | 0 | 0 | 111.6 | |||||
| 671 | N | 27.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 45 | 129.8 | 135.8 | -80.6 | -4.4 | 0 | 0 | 0 | 123.8 | ||||
| 672 | T | 29.6 | Very low | 28.2 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | 89.2 | 103.9 | 133.4 | 53.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 673 | N | 27.3 | Very low | 28 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 80.5 | 106.1 | 115.6 | -70.8 | -5 | 0 | 0 | 0 | 121 | |||||
| 674 | V | 26.9 | Very low | 27.8 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 87.6 | 128.7 | 107.4 | 171.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 675 | Y | 27 | Very low | 27.5 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 92.9 | 114.8 | 149 | -79.8 | -45.3 | 0 | 0 | 0 | 122.8 | ||||
| 676 | H | 28 | Very low | 27.3 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | 79.5 | 115.9 | 127.5 | -89 | -49.8 | 0 | 0 | 0 | 122.2 | |||||
| 677 | D | 25 | Very low | 27.3 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | 81.6 | 130.6 | 123.9 | -93.8 | 30.2 | 0 | 0 | 0 | 121.8 | |||||
| 678 | K | 28.2 | Very low | 27.2 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 91.2 | 105.6 | 144.8 | -72.3 | 170.4 | -173.6 | 178.9 | 0 | 118.5 | ||||
| 679 | T | 25.2 | Very low | 27 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | 52.4 | 116.2 | 129.8 | 57 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 680 | F | 28.5 | Very low | 27.2 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -170.9 | 128.9 | 125.3 | -109.6 | -79.6 | 0 | 0 | 0 | 110.1 | |||||
| 681 | N | 23.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -59.8 | 128.1 | 163.5 | -85.3 | -24.2 | 0 | 0 | 0 | 109.4 | ||||
| 682 | Q | 28.5 | Very low | 27 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -168.9 | 137 | 143.2 | -109 | 165.2 | 5.8 | 0 | 0 | 111.9 | ||||
| 683 | T | 24.7 | Very low | 26.9 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -51.7 | 126.6 | 168.6 | 44 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 684 | S | 26 | Very low | 27.1 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 177.6 | 130.5 | 148.2 | 43.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 685 | C | 22.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 150.3 | 166 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 686 | P | 28.1 | Very low | 27.2 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -121.3 | 124.2 | 154 | 31.4 | -16.7 | 0 | 0 | 0 | 110.6 | ||||
| 687 | I | 26.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 67 | 121.7 | 79.3 | -60.5 | 170.1 | 0 | 0 | 0 | 114.3 | |||||
| 688 | H | 29.7 | Very low | 27.7 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | 172.7 | 129.8 | 131.6 | -95.1 | -75.5 | 0 | 0 | 0 | 106.3 | ||||
| 689 | G | 25.6 | Very low | 27.8 | Very low | 61 Ų | 61 | 146.3 Ų | 146.3 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 142.8 | 121.9 | 15.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 690 | L | 30.1 | Very low | 28 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | 175.2 | 149.6 | 114.3 | -87 | 165.8 | 0 | 0 | 0 | 111.1 | |||||
| 691 | I | 25.9 | Very low | 28.2 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -102.8 | 141.8 | -162.4 | -70.2 | 157.1 | 0 | 0 | 0 | 110.9 | ||||
| 692 | N | 30.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | -175.4 | 109.6 | 126 | -104.8 | -19.1 | 0 | 0 | 0 | 114.9 | |||||
| 693 | K | 27.5 | Very low | 28.5 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | 37 | 118.1 | 128.5 | -74.5 | -173.5 | 174.5 | -175.9 | 0 | 122.5 | |||||
| 694 | N | 32 | Very low | 28.8 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 152.1 | 103.6 | 120.4 | -81.5 | -5.5 | 0 | 0 | 0 | 108.4 | |||||
| 695 | E | 27.9 | Very low | 29 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | 91.5 | 122.8 | 84 | -99.3 | -169.7 | -159.3 | 0 | 0 | 113.6 | |||||
| 696 | N | 28.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | trans | 77.3 | 106.2 | 148.9 | -51.7 | -21.9 | 0 | 0 | 0 | 118.7 | ||||
| 697 | D | 31.6 | Very low | 29.3 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | 169.4 | 130.8 | 96.3 | -92.8 | -18 | 0 | 0 | 0 | 114 | |||||
| 698 | F | 31.3 | Very low | 29.5 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 41.6 | 137.2 | 143.8 | -66.7 | -85.7 | 0 | 0 | 0 | 120.6 | ||||
| 699 | N | 30 | Very low | 29.5 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | -172 | 150.6 | 19.4 | -149.4 | -2.5 | 0 | 0 | 0 | 108.5 | ||||
| 700 | P | 30.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -109.6 | 158 | -178.1 | 37.4 | -25.9 | 0 | 0 | 0 | 114.2 | ||||
| 701 | A | 31.8 | Very low | 29.6 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | -175.9 | 115.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 702 | Y | 31.6 | Very low | 29.4 | Very low | 232 Ų | 232 | 144.3 Ų | 144.3 | 91% | 0.91 | 76% | 0.755 | S | S | * | * | 173.2 | 111.1 | 109.1 | -101.5 | -80.9 | 0 | 0 | 0 | 110.7 | |||||
| 703 | L | 26.6 | Very low | 29.5 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -75.8 | 156.3 | 168.9 | -85.2 | 141.2 | 0 | 0 | 0 | 111.4 | Q705 | L703-Q705 HydrophobicContact CD2-CG 4.44Š| ||
| 704 | I | 31.7 | Very low | 29.6 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | 177.4 | 94.7 | 125.3 | -81.4 | 149.5 | 0 | 0 | 0 | 105.3 | |||||
| 705 | Q | 29.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | 56.4 | 109 | 90.7 | -78.1 | -173.4 | -16 | 0 | 0 | 115.3 | L703 | L703-Q705 HydrophobicContact CD2-CG 4.44Š| |||
| 706 | N | 29.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -167.4 | 127.3 | 98.7 | -103 | -15.4 | 0 | 0 | 0 | 113.2 | |||||
| 707 | Q | 27.6 | Very low | 29 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -86.8 | 159.4 | 172 | -68.8 | 171.2 | -46.2 | 0 | 0 | 110.8 | ||||
| 708 | N | 31.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 173.9 | 112.4 | 126.7 | -82.5 | -17.7 | 0 | 0 | 0 | 107.5 | |||||
| 709 | N | 27.9 | Very low | 28.7 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 59.2 | 132.1 | 87.3 | -73.7 | -4.7 | 0 | 0 | 0 | 111.6 | |||||
| 710 | S | 28.7 | Very low | 28.7 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -175.2 | 170.2 | 12.6 | 47.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 711 | D | 30.2 | Very low | 28.5 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | 85.5 | 107.8 | 149.8 | -51.6 | -37.6 | 0 | 0 | 0 | 122.4 | ||||
| 712 | C | 22.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 174.5 | 143.2 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 713 | P | 30.9 | Very low | 28.3 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -148.7 | -166.6 | 21.3 | 29 | -0.2 | 0 | 0 | 0 | 115.9 | ||||
| 714 | I | 30.7 | Very low | 28.4 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 104.8 | 116.4 | 150 | -53.4 | 166.8 | 0 | 0 | 0 | 118.8 | ||||
| 715 | H | 24.7 | Very low | 28.2 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | 17.3 | 134.8 | 149.3 | -80.3 | -88.8 | 0 | 0 | 0 | 121.7 | ||||
| 716 | G | 27.1 | Very low | 28.1 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 162.9 | 101 | 151.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 717 | S | 24.4 | Very low | 28 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 141.3 | 169.5 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 718 | K | 29.8 | Very low | 28.1 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -171 | 126.8 | 137.6 | -102.9 | 162.9 | -170.3 | -177.3 | 0 | 111.9 | ||||
| 719 | S | 26.2 | Very low | 28 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -49.5 | 139.6 | 171.1 | 48.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 720 | F | 30.8 | Very low | 28.1 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 93% | 0.934 | 76% | 0.757 | S | S | * | * | trans | -142.1 | 110.1 | 140.8 | -101.1 | -82.3 | 0 | 0 | 0 | 109.7 | ||||
| 721 | T | 26.2 | Very low | 28.2 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | -68 | 136.9 | 162.1 | 40.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 722 | N | 28.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | 171 | 132 | 122.9 | -91.6 | -13.6 | 0 | 0 | 0 | 113.5 | |||||
| 723 | L | 29.4 | Very low | 28.6 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | 46.8 | 135.1 | 145.9 | -68.4 | 100.8 | 0 | 0 | 0 | 119.1 | ||||
| 724 | G | 28.3 | Very low | 28.5 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | 166.9 | 165.7 | 21 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 725 | K | 27.2 | Very low | 28.5 | Very low | 210 Ų | 210 | 147.9 Ų | 147.9 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -54.6 | 159.1 | -169.2 | -64.3 | 166.2 | 172.9 | 176 | 0 | 117.3 | ||||
| 726 | S | 27.6 | Very low | 28.7 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | 122.1 | 117.8 | 119.1 | 140 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 727 | F | 27.7 | Very low | 28.9 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 62.6 | 134.5 | 137.8 | -73.4 | -81.1 | 0 | 0 | 0 | 124.7 | ||||
| 728 | Y | 30.3 | Very low | 29.1 | Very low | 156 Ų | 156 | 153 Ų | 153 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | trans | -136.2 | 120.1 | 145.8 | -100.9 | -89.5 | 0 | 0 | 0 | 112 | N538 N539 N540 | N538-Y728 WeakPolarHBondContact O-CE1 3.5Å; N538-Y728 PolarHBondContact O-OH 2.91Å; N539-Y728 WeakPolarHBondContact CA-OH 3.44Å; N540-Y728 PolarHBondContact N-OH 3.47Å | ||
| 729 | K | 28.9 | Very low | 29.2 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -140.9 | 132.7 | 157.9 | -147.1 | -175.9 | -169.8 | -174.9 | 0 | 105.2 | ||||
| 730 | N | 30.5 | Very low | 29.2 | Very low | 65 Ų | 65 | 158 Ų | 158 | 35% | 0.348 | 77% | 0.77 | S | S | . | * | trans | -144 | 126.7 | 169 | -101.3 | -14.9 | 0 | 0 | 0 | 111.9 | N539 | N539-N730 VanDerWaalsContact CG-ND2 3.28Å; N539-N730 PolarHBondContact ND2-ND2 3.29Å; N539-N730 PolarHBondContact OD1-ND2 3.01Å | ||
| 731 | E | 30 | Very low | 29.4 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -84.5 | 168.8 | 166.2 | -65.3 | -178.4 | 141.9 | 0 | 0 | 111.5 | ||||
| 732 | Y | 31.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | 171 | 143.7 | 138.4 | -84.7 | -52.8 | 0 | 0 | 0 | 107.4 | ||||
| 733 | K | 29.8 | Very low | 29.6 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | cis | -166.4 | 147.1 | 6.9 | -136.7 | 155.6 | -172.3 | -179.7 | 0 | 108.1 | ||||
| 734 | L | 27.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 151.4 | 168 | -119.5 | 84.3 | 0 | 0 | 0 | 112.3 | K736 | L734-K736 HydrophobicContact CD2-CD 4.32Å; L734-K736 HydrophobicContact CD2-CG 4.07Å | ||
| 735 | N | 30.4 | Very low | 29.6 | Very low | 174 Ų | 174 | 159.1 Ų | 159.1 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -140.8 | 131 | 138.6 | -118.4 | -3.2 | 0 | 0 | 0 | 111.1 | ||||
| 736 | K | 28.7 | Very low | 29.7 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | -98.8 | 136.7 | 179.2 | -85.5 | 171.5 | 173.2 | 173.6 | 0 | 109.9 | L734 | L734-K736 HydrophobicContact CD2-CD 4.32Å; L734-K736 HydrophobicContact CD2-CG 4.07Å | ||
| 737 | S | 32 | Very low | 29.5 | Very low | 115 Ų | 115 | 157 Ų | 157 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -168 | 97.5 | 146.8 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 738 | K | 29.4 | Very low | 29.5 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 47.7 | 126 | 93.3 | -86.7 | -169.3 | 177.7 | -176.5 | 0 | 116.1 | |||||
| 739 | Q | 30.3 | Very low | 29.3 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 98.8 | 108.2 | 150.6 | -78.2 | 170.6 | -41.7 | 0 | 0 | 121 | ||||
| 740 | Y | 26.9 | Very low | 29.4 | Very low | 226 Ų | 226 | 154.5 Ų | 154.5 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | -31.8 | 178.2 | 149.5 | -68.9 | -87.9 | 0 | 0 | 0 | 117.6 | ||||
| 741 | P | 35.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 161.8 Ų | 161.8 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | cis | -135.7 | -176.1 | -39.5 | 36.1 | -17.4 | 0 | 0 | 0 | 114 | ||||
| 742 | N | 30.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 159.2 Ų | 159.2 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 90.9 | 113.4 | 153 | -70.2 | -19.5 | 0 | 0 | 0 | 122 | ||||
| 743 | K | 28.5 | Very low | 29.4 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | 48.5 | 111.3 | 134.8 | -72.7 | -179.2 | 174.9 | 178.6 | 0 | 119.6 | ||||
| 744 | S | 31.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | -173.7 | 146.8 | 116.7 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 745 | L | 26 | Very low | 30 | Very low | 169 Ų | 169 | 159 Ų | 159 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -49.9 | 137.1 | -179.8 | -91.1 | 68.4 | 0 | 0 | 0 | 114.2 | ||||
| 746 | S | 28.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 159.3 Ų | 159.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -162.3 | 126.7 | 128.5 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 747 | L | 24.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 157.5 Ų | 157.5 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -62.4 | 130.8 | 176.8 | -86.6 | 98 | 0 | 0 | 0 | 110.5 | L749 | L747-L749 HydrophobicContact CD2-CD1 4.16Å; L747-L749 HydrophobicContact CD2-CG 4.49Å | ||
| 748 | N | 26.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 159.8 Ų | 159.8 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -139.9 | 100.1 | 152.8 | -136.4 | -17.3 | 0 | 0 | 0 | 107.5 | ||||
| 749 | L | 26.3 | Very low | 30.6 | Very low | 137 Ų | 137 | 154.7 Ų | 154.7 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -74.8 | 119.6 | -179.9 | -83.4 | 154.3 | 0 | 0 | 0 | 109.3 | L747 | L747-L749 HydrophobicContact CD2-CD1 4.16Å; L747-L749 HydrophobicContact CD2-CG 4.49Å | ||
| 750 | N | 31.1 | Very low | 30.6 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -127.3 | 114.1 | 164 | -131.3 | -7.8 | 0 | 0 | 0 | 108.8 | ||||
| 751 | Y | 27 | Very low | 30.9 | Very low | 217 Ų | 217 | 150.2 Ų | 150.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 124.1 | -175.7 | -89.4 | -104 | 0 | 0 | 0 | 112 | ||||
| 752 | S | 30.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 171.1 | 91.2 | 144.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 753 | N | 33.3 | Very low | 30.6 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -174.4 | 112.6 | 139.7 | -103 | -26.2 | 0 | 0 | 0 | 111 | T755 | N753-T755 PolarHBondContact O-N 3.3Å; N753-T755 VanDerWaalsContact O-N 3.16Å | ||
| 754 | R | 32.3 | Very low | 30.7 | Very low | 224 Ų | 224 | 148.6 Ų | 148.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -84.4 | 30.3 | -170.5 | -151.6 | 178.2 | -172.1 | -179.7 | 0.9 | 113.1 | ||||
| 755 | T | 38.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | -98.9 | 9.2 | -168.5 | 33.6 | 0 | 0 | 0 | 0 | 115.5 | N753 | N753-T755 PolarHBondContact O-N 3.3Å; N753-T755 VanDerWaalsContact O-N 3.16Å | ||
| 756 | F | 32.5 | Very low | 31.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -108 | -8.1 | 179 | -160.4 | -103.8 | 0 | 0 | 0 | 114.6 | ||
| 757 | L | 32.9 | Very low | 31.3 | Very low | 142 Ų | 142 | 151 Ų | 151 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -99.6 | -8.5 | 176.9 | -89.1 | 157.2 | 0 | 0 | 0 | 113.9 | S759 | L757-S759 VanDerWaalsContact C-N 3.32Å; L757-S759 PolarHBondContact O-N 3.4Å |
| 758 | E | 35.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 2.4 | 179.2 | -70.1 | -179.9 | 165.4 | 0 | 0 | 113.5 | ||
| 759 | S | 33.6 | Very low | 32.1 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 2.5 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | L757 K761 | L757-S759 VanDerWaalsContact C-N 3.32Å; L757-S759 PolarHBondContact O-N 3.4Å; S759-K761 PolarHBondContact O-N 3.12Å |
| 760 | I | 30.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | trans | -95.3 | 96.9 | 174 | -51.8 | -178.2 | 0 | 0 | 0 | 108.9 | M762 | I760-M762 HydrophobicContact CG2-CG 3.73Å; I760-M762 PolarHBondContact O-N 3.18Å; I760-M762 VanDerWaalsContact O-N 3.1Å | ||
| 761 | K | 31.9 | Very low | 33.2 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -65 | 97.8 | 159.9 | -79.6 | 175.9 | 173.3 | 174.4 | 0 | 108.3 | S759 | S759-K761 PolarHBondContact O-N 3.12Š| ||
| 762 | M | 30.1 | Very low | 33.8 | Very low | 141 Ų | 141 | 140 Ų | 140 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -104.7 | 96.6 | 160.6 | -77 | -154.3 | 154.9 | 0 | 0 | 108.8 | I760 L765 | I760-M762 HydrophobicContact CG2-CG 3.73Å; I760-M762 PolarHBondContact O-N 3.18Å; I760-M762 VanDerWaalsContact O-N 3.1Å; M762-L765 HydrophobicContact SD-CD1 4.17Å | ||
| 763 | N | 30.5 | Very low | 34.2 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -80.6 | 140.1 | 155.8 | -70.9 | -21.4 | 0 | 0 | 0 | 106.8 | ||||
| 764 | S | 31 | Very low | 34.4 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 94 | -178.5 | 81.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 765 | L | 31.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 63% | 0.634 | 73% | 0.734 | S | S | * | * | trans | -130.8 | 61.2 | 158.5 | -92.8 | 158.3 | 0 | 0 | 0 | 107.3 | M762 | M762-L765 HydrophobicContact SD-CD1 4.17Š| ||
| 766 | D | 33.8 | Very low | 34.3 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -104 | 129.8 | 147.6 | -78.7 | -39.2 | 0 | 0 | 0 | 103.7 | ||||
| 767 | E | 33.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 92 | 131.2 | -168.3 | -54.1 | 177.9 | 174.8 | 0 | 0 | 114.8 | ||
| 768 | T | 35.8 | Very low | 34.7 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 53% | 0.534 | 75% | 0.749 | S | S | . | * | trans | 89.9 | 59.3 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 769 | C | 31.3 | Very low | 34.9 | Very low | 125 Ų | 125 | 145 Ų | 145 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -90.7 | 3.6 | 163.4 | -135.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 770 | D | 38.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -102.4 | -17 | -179 | -78.1 | -43.9 | 0 | 0 | 0 | 114.8 | ||
| 771 | D | 41.9 | Very low | 35.1 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -88 | -9.3 | -176.1 | -69.1 | -39.5 | 0 | 0 | 0 | 114.8 | ||
| 772 | I | 41.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 152 Ų | 152 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -88.5 | -4.5 | -178.3 | -63.4 | 178.5 | 0 | 0 | 0 | 112.6 | N774 | I772-N774 VanDerWaalsContact C-N 3.3Å; I772-N774 PolarHBondContact O-N 2.69Å |
| 773 | K | 37.4 | Very low | 35.2 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 68% | 0.683 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -71.9 | -9.4 | -177.9 | -93.8 | 174.9 | 179.9 | 162.4 | 0 | 116.2 | ||
| 774 | N | 37.5 | Very low | 35.8 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -102.4 | 6.6 | -174.2 | -80.8 | -28.1 | 0 | 0 | 0 | 116.2 | I772 | I772-N774 VanDerWaalsContact C-N 3.3Å; I772-N774 PolarHBondContact O-N 2.69Å |
| 775 | L | 37.6 | Very low | 36 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 13.3 | -176.5 | -88.4 | 156 | 0 | 0 | 0 | 115.5 | Q777 | L775-Q777 PolarHBondContact O-N 3.1Š| ||
| 776 | Q | 31.4 | Very low | 36.3 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -82.9 | 95.1 | 172.9 | -74.4 | -170.7 | -19.7 | 0 | 0 | 111.8 | ||||
| 777 | Q | 38.1 | Very low | 36.4 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -148.8 | -20.6 | 149.6 | -119.4 | 175.4 | 19.4 | 0 | 0 | 117 | L775 | L775-Q777 PolarHBondContact O-N 3.1Š|
| 778 | H | 35.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -135.6 | 129 | 177.9 | -77.1 | -10.5 | 0 | 0 | 0 | 111.7 | ||
| 779 | H | 39 | Very low | 36.6 | Very low | 172 Ų | 172 | 159.4 Ų | 159.4 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | 92.1 | 100.8 | 177 | -51.8 | -65.2 | 0 | 0 | 0 | 116.4 | I781 | H779-I781 PolarHBondContact O-N 3.45Š| ||
| 780 | R | 32.5 | Very low | 37 | Very low | 255 Ų | 255 | 161.7 Ų | 161.7 | 96% | 0.962 | 81% | 0.811 | S | S | * | * | trans | -56.1 | 99.8 | 163 | -69.9 | 176.3 | 173.9 | 172.9 | -3.1 | 109.9 | ||||
| 781 | I | 37.6 | Very low | 36.9 | Very low | 134 Ų | 134 | 164.3 Ų | 164.3 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | -122.6 | 105.7 | 159.6 | -59.1 | 177.8 | 0 | 0 | 0 | 105.5 | H779 C783 | H779-I781 PolarHBondContact O-N 3.45Å; I781-C783 PolarHBondContact O-N 3.05Å | ||
| 782 | N | 33.7 | Very low | 36.5 | Very low | 162 Ų | 162 | 167.2 Ų | 167.2 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | -71.8 | 109.5 | 164.5 | -86.7 | -2.5 | 0 | 0 | 0 | 106.9 | ||||
| 783 | C | 30.4 | Very low | 36.1 | Very low | 119 Ų | 119 | 169.5 Ų | 169.5 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -83.3 | 117.3 | 162.6 | -68.1 | 0 | 0 | 0 | 0 | 107.6 | I781 | I781-C783 PolarHBondContact O-N 3.05Š| ||
| 784 | T | 42.6 | Very low | 36 | Very low | 188 Ų | 188 | 170.6 Ų | 170.6 | 100% | 1.153 | 86% | 0.856 | S | S | * | * | trans | -88.5 | 0 | 161.5 | 49.4 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 784 of 784 residues in 746.3 ms
(Link to these results)