| 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 | 48.3 | Very low | 81.5 | Confident | 228 Ų | 228 | 71.5 Ų | 71.5 | 100% | 1.123 | 41% | 0.405 | S | S | * | . | 0 | 123.1 | 0 | -71.6 | -167.9 | -85.7 | 0 | 0 | 107.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.38Š| |||
| 2 | A | 53.5 | Low | 82.8 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 117 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 3 | Q | 65.4 | Low | 83.8 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 145.5 | 174.8 | -71 | 176.2 | -14.3 | 0 | 0 | 109.7 | M1 R48 | M1-Q3 PolarHBondContact O-N 3.38Å; Q3-R48 PolarHBondContact O-NE 2.6Å; Q3-R48 PolarHBondContact O-NH2 2.85Å |
| 4 | G | 77 | Confident | 84.8 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -60 | 146.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E6 | G4-E6 PolarHBondContact O-N 2.71Š|
| 5 | L | 87.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 121.4 | 178.2 | -175.6 | 71 | 0 | 0 | 0 | 109.6 | F45 R48 F50 D55 I57 I121 S123 | L5-F45 HydrophobicContact CD1-CB 4.05Å; L5-F45 HydrophobicContact CD1-CD1 3.48Å; L5-F45 VanDerWaalsContact CD1-CD1 3.48Å; L5-F45 HydrophobicContact CD1-CD2 4.14Å; L5-F45 HydrophobicContact CD1-CE1 3.89Å; L5-F45 HydrophobicContact CD1-CE2 4.5Å; L5-F45 HydrophobicContact CD1-CG 3.61Å; L5-F45 HydrophobicContact CD1-CZ 4.38Å; L5-F45 HydrophobicContact CD2-CD1 4.1Å; L5-F45 HydrophobicContact CD2-CE1 3.65Å; L5-F45 HydrophobicContact CD2-CZ 4Å; L5-F45 HydrophobicContact CG-CD1 3.58Å; L5-F45 HydrophobicContact CG-CE1 3.66Å; L5-F45 HydrophobicContact CG-CG 4.25Å; L5-F45 HydrophobicContact CG-CZ 4.38Å; L5-R48 HydrophobicContact CD1-CG 4.39Å; L5-R48 WeakPolarHBondContact CD1-O 3.42Å; L5-F50 HydrophobicContact CD2-CB 4.2Å; L5-F50 HydrophobicContact CD2-CD2 3.83Å; L5-D55 HydrophobicContact CD2-CB 4.02Å; L5-I57 HydrophobicContact CD2-CD1 4.49Å; L5-I121 HydrophobicContact CB-CG2 3.96Å; L5-I121 HydrophobicContact CD2-CD1 4.34Å; L5-I121 HydrophobicContact CD2-CG2 4.03Å; L5-I121 HydrophobicContact CG-CD1 4.45Å; L5-I121 HydrophobicContact CG-CG2 4.37Å; L5-S123 PolarHBondContact N-OG 2.74Å |
| 6 | E | 90.1 | Very high | 86.3 | Confident | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | trans | -123.9 | 128.7 | -173.9 | -171.6 | -172.4 | 166.5 | 0 | 0 | 110.9 | G4 F45 R46 N47 Y131 | G4-E6 PolarHBondContact O-N 2.71Å; E6-F45 CarbonylContact O-C 3.58Å; E6-F45 WeakPolarHBondContact O-CA 3.45Å; E6-F45 WeakPolarHBondContact O-CB 3.46Å; E6-R46 PolarHBondContact O-N 3.49Å; E6-R46 WeakPolarHBondContact OE1-CD 3.47Å; E6-R46 IonicContact OE1-NE 2.78Å; E6-N47 PolarHBondContact OE2-ND2 3.13Å; E6-N47 VanDerWaalsContact OE2-ND2 3.11Å; E6-Y131 WeakPolarHBondContact CG-OH 3.42Å | ||
| 7 | V | 93.1 | Very high | 87 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.1 | -177.7 | -178 | 0 | 0 | 0 | 0 | 109.7 | F45 I119 I121 Y131 | V7-F45 HydrophobicContact CG2-CD1 4.25Å; V7-F45 HydrophobicContact CG2-CE1 4.05Å; V7-I119 HydrophobicContact CG2-CD1 3.83Å; V7-I121 HydrophobicContact CG2-CD1 3.52Å; V7-Y131 HydrophobicContact CB-CD1 4.04Å; V7-Y131 HydrophobicContact CB-CD2 4.19Å; V7-Y131 HydrophobicContact CB-CE1 4.05Å; V7-Y131 HydrophobicContact CB-CE2 4.21Å; V7-Y131 HydrophobicContact CB-CG 4.12Å; V7-Y131 HydrophobicContact CG2-CD2 3.77Å; V7-Y131 HydrophobicContact CG2-CE2 3.8Å; V7-Y131 HydrophobicContact CG2-CG 4.15Å |
| 8 | A | 93.8 | Very high | 87.6 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Y44 R46 | A8-Y44 WeakPolarHBondContact CB-O 3.34Å; A8-Y44 PolarHBondContact N-O 2.8Å; A8-R46 HydrophobicContact CB-CB 4.48Å; A8-R46 HydrophobicContact CB-CG 3.46Å; A8-R46 VanDerWaalsContact CB-CG 3.46Å |
| 9 | L | 94.8 | Very high | 88.2 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 149.8 | -172.6 | 176.2 | 68.3 | 0 | 0 | 0 | 108.9 | Y44 | L9-Y44 HydrophobicContact CB-CD2 4.22Å; L9-Y44 HydrophobicContact CD2-CD2 4.15Å; L9-Y44 HydrophobicContact CD2-CE2 4.48Å; L9-Y44 HydrophobicContact CG-CD2 4.24Å; L9-Y44 PolarHBondContact N-O 2.84Å; L9-Y44 PolarHBondContact O-N 2.75Å |
| 10 | T | 96 | Very high | 88.7 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.6 | 169.2 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | L12 L41 T42 L43 L133 | T10-L12 HydrophobicContact CG2-CD2 4.05Å; T10-L41 HydrophobicContact CG2-CD1 4.44Å; T10-T42 WeakPolarHBondContact CA-O 3.48Å; T10-L43 HydrophobicContact CG2-CD2 4Å; T10-L133 HydrophobicContact CG2-CB 4.22Å; T10-L133 HydrophobicContact CG2-CD1 4.26Å; T10-L133 HydrophobicContact CG2-CD2 4.48Å; T10-L133 WeakPolarHBondContact OG1-CD2 3.35Å |
| 11 | D | 96.8 | Very high | 89.2 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.8 | 169.9 | 178.9 | 5.6 | 0 | 0 | 0 | 108.3 | Q13 L41 T42 Y44 | D11-Q13 PolarHBondContact O-N 3.12Å; D11-Q13 WeakPolarHBondContact OD1-CA 3.47Å; D11-Q13 PolarHBondContact OD1-N 3.34Å; D11-L41 CarbonylContact O-C 3.56Å; D11-L41 WeakPolarHBondContact O-CA 3.31Å; D11-L41 WeakPolarHBondContact O-CB 3.23Å; D11-T42 PolarHBondContact N-O 3.39Å; D11-T42 PolarHBondContact O-N 3.5Å; D11-Y44 HydrophobicContact CB-CE2 4.13Å |
| 12 | L | 96.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | trans | -77.4 | -0 | 178.4 | -64.7 | -178.2 | 0 | 0 | 0 | 112.9 | T10 S14 N17 L31 L41 L117 | T10-L12 HydrophobicContact CG2-CD2 4.05Å; L12-S14 PolarHBondContact O-N 2.89Å; L12-S14 VanDerWaalsContact O-N 3.11Å; L12-N17 PolarHBondContact O-ND2 2.93Å; L12-L31 HydrophobicContact CB-CB 4.38Å; L12-L31 HydrophobicContact CB-CD2 4.11Å; L12-L31 HydrophobicContact CD1-CB 4.32Å; L12-L31 HydrophobicContact CD1-CD2 4.42Å; L12-L31 HydrophobicContact CD2-CD2 4.5Å; L12-L41 HydrophobicContact CD2-CB 4.37Å; L12-L41 HydrophobicContact CD2-CD2 4.45Å; L12-L117 HydrophobicContact CD2-CD2 4.28Å | ||
| 13 | Q | 96.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | trans | 48.8 | 37.9 | -178.1 | -57.9 | -168.5 | 6.8 | 0 | 0 | 113 | D11 S15 R16 N17 T42 E101 | D11-Q13 PolarHBondContact O-N 3.12Å; D11-Q13 WeakPolarHBondContact OD1-CA 3.47Å; D11-Q13 PolarHBondContact OD1-N 3.34Å; Q13-S15 PolarHBondContact O-N 2.92Å; Q13-R16 PolarHBondContact O-N 2.82Å; Q13-R16 VanDerWaalsContact O-N 3.13Å; Q13-N17 PolarHBondContact O-N 2.95Å; Q13-N17 PolarHBondContact O-ND2 3.39Å; Q13-T42 PolarHBondContact NE2-OG1 2.86Å; Q13-E101 PolarHBondContact NE2-OE1 3.25Å; Q13-E101 PolarHBondContact OE1-OE1 2.94Å | ||
| 14 | S | 97.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49.9 | -52.1 | -168.4 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | L12 R16 N17 N18 D29 L31 | L12-S14 PolarHBondContact O-N 2.89Å; L12-S14 VanDerWaalsContact O-N 3.11Å; S14-R16 PolarHBondContact O-N 3.36Å; S14-N17 PolarHBondContact O-N 3.22Å; S14-N18 VanDerWaalsContact O-CB 3.3Å; S14-N18 WeakPolarHBondContact O-CB 3.32Å; S14-N18 PolarHBondContact O-N 2.93Å; S14-N18 PolarHBondContact O-OD1 3.2Å; S14-N18 VanDerWaalsContact O-OD1 3.07Å; S14-D29 PolarHBondContact OG-O 2.96Å; S14-L31 PolarHBondContact OG-N 3.32Å |
| 15 | S | 96.6 | Very high | 96 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 49% | 0.49 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.1 | -47.3 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 112.8 | Q13 V19 V28 | Q13-S15 PolarHBondContact O-N 2.92Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 3.46Å; S15-V28 PolarHBondContact N-O 2.7Å |
| 16 | R | 96.8 | Very high | 96.4 | Very high | 110 Ų | 110 | 46.6 Ų | 46.6 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -42.2 | -179.3 | -177.1 | -173.9 | 179.5 | -160.3 | 4.8 | 111.6 | Q13 S14 R20 E101 | Q13-R16 PolarHBondContact O-N 2.82Å; Q13-R16 VanDerWaalsContact O-N 3.13Å; S14-R16 PolarHBondContact O-N 3.36Å; R16-R20 VanDerWaalsContact NH2-NH2 3.18Å; R16-R20 WeakPolarHBondContact O-CG 3.36Å; R16-R20 PolarHBondContact O-N 2.89Å; R16-E101 IonicContact NH1-OE1 3.42Å; R16-E101 PolarHBondContact NH1-OE1 2.9Å |
| 17 | N | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 178.3 | -74 | -39 | 0 | 0 | 0 | 110.9 | L12 Q13 S14 V19 R20 H21 L31 V33 F39 N40 | L12-N17 PolarHBondContact O-ND2 2.93Å; Q13-N17 PolarHBondContact O-N 2.95Å; Q13-N17 PolarHBondContact O-ND2 3.39Å; S14-N17 PolarHBondContact O-N 3.22Å; N17-V19 VanDerWaalsContact C-N 3.29Å; N17-V19 PolarHBondContact O-N 3.24Å; N17-R20 CarbonylContact O-C 3.56Å; N17-R20 WeakPolarHBondContact O-CA 3.41Å; N17-R20 WeakPolarHBondContact O-CB 3.28Å; N17-R20 PolarHBondContact O-N 3.26Å; N17-H21 WeakPolarHBondContact O-CB 3.36Å; N17-H21 PolarHBondContact O-CD2 3.15Å; N17-H21 PolarHBondContact O-N 3.15Å; N17-L31 HydrophobicContact CB-CD1 3.54Å; N17-V33 HydrophobicContact CB-CG1 4.34Å; N17-F39 HydrophobicContact CB-CB 4.37Å; N17-N40 PolarHBondContact ND2-O 2.9Å; N17-N40 PolarHBondContact OD1-N 3Å |
| 18 | N | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | -176.8 | -68.4 | 8.1 | 0 | 0 | 0 | 111.9 | S14 R20 H21 H22 T23 E24 T27 H30 L32 | S14-N18 VanDerWaalsContact O-CB 3.3Å; S14-N18 WeakPolarHBondContact O-CB 3.32Å; S14-N18 PolarHBondContact O-N 2.93Å; S14-N18 PolarHBondContact O-OD1 3.2Å; S14-N18 VanDerWaalsContact O-OD1 3.07Å; N18-R20 PolarHBondContact O-N 2.94Å; N18-H21 CarbonylContact O-C 3.58Å; N18-H21 PolarHBondContact O-N 2.82Å; N18-H22 PolarHBondContact O-N 2.7Å; N18-T23 WeakPolarHBondContact CA-OG1 3.34Å; N18-T23 WeakPolarHBondContact CB-OG1 3.2Å; N18-T23 PolarHBondContact O-N 3.44Å; N18-T23 PolarHBondContact O-OG1 3.4Å; N18-E24 HydrophobicContact CB-CB 4.36Å; N18-E24 PolarHBondContact O-N 2.88Å; N18-T27 PolarHBondContact ND2-O 2.86Å; N18-H30 PolarHBondContact ND2-O 3.17Å; N18-L32 PolarHBondContact OD1-N 3.02Å; N18-L32 PolarHBondContact OD1-O 2.96Å; N18-L32 VanDerWaalsContact OD1-O 3.09Å |
| 19 | V | 97.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 173.1 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | S15 N17 H21 H22 E24 | S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 3.46Å; N17-V19 VanDerWaalsContact C-N 3.29Å; N17-V19 PolarHBondContact O-N 3.24Å; V19-H21 PolarHBondContact O-N 3.2Å; V19-H22 PolarHBondContact O-N 3.3Å; V19-E24 HydrophobicContact CG2-CB 3.9Å; V19-E24 HydrophobicContact CG2-CG 4.18Å |
| 20 | R | 98.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.8 | -27.3 | 178 | -73.2 | 177.7 | 170.5 | -175.1 | -6.2 | 113 | R16 N17 N18 Q37 N40 | R16-R20 VanDerWaalsContact NH2-NH2 3.18Å; R16-R20 WeakPolarHBondContact O-CG 3.36Å; R16-R20 PolarHBondContact O-N 2.89Å; N17-R20 CarbonylContact O-C 3.56Å; N17-R20 WeakPolarHBondContact O-CA 3.41Å; N17-R20 WeakPolarHBondContact O-CB 3.28Å; N17-R20 PolarHBondContact O-N 3.26Å; N18-R20 PolarHBondContact O-N 2.94Å; R20-Q37 PolarHBondContact O-NE2 3.37Å; R20-N40 PolarHBondContact NH1-OD1 2.97Å |
| 21 | H | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.3 | -178.3 | -77.7 | -89.6 | 0 | 0 | 0 | 113.4 | N17 N18 V19 T23 R34 Q37 A38 | N17-H21 WeakPolarHBondContact O-CB 3.36Å; N17-H21 PolarHBondContact O-CD2 3.15Å; N17-H21 PolarHBondContact O-N 3.15Å; N18-H21 CarbonylContact O-C 3.58Å; N18-H21 PolarHBondContact O-N 2.82Å; V19-H21 PolarHBondContact O-N 3.2Å; H21-T23 HydrophobicContact CB-CG2 4.45Å; H21-T23 PolarHBondContact O-N 3.03Å; H21-R34 HydrophobicContact CB-CG 4.43Å; H21-R34 PolarHBondContact CE1-O 3.42Å; H21-R34 PolarHBondContact ND1-N 2.96Å; H21-R34 WeakPolarHBondContact O-CD 3.45Å; H21-R34 PolarHBondContact O-NE 2.91Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.14Å; H21-Q37 PolarHBondContact ND1-OE1 3.23Å; H21-A38 PolarHBondContact NE2-O 2.95Å |
| 22 | H | 98.3 | Very high | 96.4 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 48.5 | -178.6 | -48.1 | -71 | 0 | 0 | 0 | 112.2 | N18 V19 E24 R34 W143 M162 | N18-H22 PolarHBondContact O-N 2.7Å; V19-H22 PolarHBondContact O-N 3.3Å; H22-E24 VanDerWaalsContact CA-OE2 3.29Å; H22-E24 WeakPolarHBondContact CA-OE2 3.17Å; H22-R34 PolarHBondContact O-NH2 2.94Å; H22-W143 HydrophobicContact CB-CH2 3.9Å; H22-W143 HydrophobicContact CB-CZ2 4.16Å; H22-W143 HydrophobicContact CB-CZ3 4.1Å; H22-W143 AromaticContact CD2-CD2 3.49Å; H22-W143 VanDerWaalsContact CD2-CD2 3.49Å; H22-W143 AromaticContact CD2-CE2 3.48Å; H22-W143 VanDerWaalsContact CD2-CE2 3.48Å; H22-W143 AromaticContact CD2-CE3 3.85Å; H22-W143 AromaticContact CD2-CG 3.92Å; H22-W143 AromaticContact CD2-CZ2 3.89Å; H22-W143 AromaticContact CD2-NE1 3.8Å; H22-W143 AromaticContact CG-CE2 3.99Å; H22-W143 AromaticContact CG-CZ2 3.93Å; H22-W143 AromaticContact NE2-CD1 3.75Å; H22-W143 AromaticContact NE2-CE2 3.81Å; H22-W143 AromaticContact NE2-NE1 3.62Å; H22-M162 HydrophobicContact CB-CE 4.4Å; H22-M162 HydrophobicContact CB-SD 4.27Å |
| 23 | T | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | trans | -131.7 | 2.9 | -179.5 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | N18 H21 E25 I26 T27 L32 R34 L139 | N18-T23 WeakPolarHBondContact CA-OG1 3.34Å; N18-T23 WeakPolarHBondContact CB-OG1 3.2Å; N18-T23 PolarHBondContact O-N 3.44Å; N18-T23 PolarHBondContact O-OG1 3.4Å; H21-T23 HydrophobicContact CB-CG2 4.45Å; H21-T23 PolarHBondContact O-N 3.03Å; T23-E25 PolarHBondContact O-N 3.17Å; T23-I26 HydrophobicContact CG2-CD1 4.42Å; T23-I26 WeakPolarHBondContact O-CB 2.8Å; T23-I26 PolarHBondContact O-N 2.84Å; T23-T27 PolarHBondContact O-N 3.39Å; T23-L32 HydrophobicContact CG2-CB 4.18Å; T23-L32 PolarHBondContact OG1-O 3.38Å; T23-R34 HydrophobicContact CG2-CG 4.37Å; T23-L139 HydrophobicContact CG2-CD1 4.13Å | ||
| 24 | E | 96.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29 | 178.5 | 72.1 | -78.2 | -167.7 | 0 | 0 | 113.1 | N18 V19 H22 I26 | N18-E24 HydrophobicContact CB-CB 4.36Å; N18-E24 PolarHBondContact O-N 2.88Å; V19-E24 HydrophobicContact CG2-CB 3.9Å; V19-E24 HydrophobicContact CG2-CG 4.18Å; H22-E24 VanDerWaalsContact CA-OE2 3.29Å; H22-E24 WeakPolarHBondContact CA-OE2 3.17Å; E24-I26 PolarHBondContact O-N 3.15Å |
| 25 | E | 95.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25 | 174.4 | -81.1 | -71.8 | 172.8 | 0 | 0 | 112.5 | T23 M162 F186 K690 R694 | T23-E25 PolarHBondContact O-N 3.17Å; E25-M162 HydrophobicContact CG-CE 4.45Å; E25-F186 HydrophobicContact CB-CB 4.2Å; E25-F186 HydrophobicContact CB-CD2 3.57Å; E25-F186 HydrophobicContact CB-CE2 3.96Å; E25-F186 HydrophobicContact CB-CG 3.86Å; E25-F186 HydrophobicContact CG-CD2 4.22Å; E25-F186 HydrophobicContact CG-CE2 4.41Å; E25-K690 PolarHBondContact O-NZ 2.91Å; E25-K690 WeakPolarHBondContact OE2-CD 3.45Å; E25-K690 WeakPolarHBondContact OE2-CE 3.16Å; E25-K690 IonicContact OE2-NZ 2.72Å; E25-K690 PolarHBondContact OE2-NZ 2.83Å; E25-R694 IonicContact OE1-NH2 3.3Å; E25-R694 PolarHBondContact OE1-NH2 2.91Å; E25-R694 IonicContact OE2-NH2 3.4Å; E25-R694 PolarHBondContact OE2-NH2 2.98Å |
| 26 | I | 95.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.138 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -49.3 | 177.7 | -57.6 | 167 | 0 | 0 | 0 | 110 | T23 E24 L32 L139 F186 I191 | T23-I26 HydrophobicContact CG2-CD1 4.42Å; T23-I26 WeakPolarHBondContact O-CB 2.8Å; T23-I26 PolarHBondContact O-N 2.84Å; E24-I26 PolarHBondContact O-N 3.15Å; I26-L32 HydrophobicContact CB-CD2 3.81Å; I26-L32 HydrophobicContact CD1-CD2 3.74Å; I26-L32 HydrophobicContact CG1-CD2 4.37Å; I26-L32 HydrophobicContact CG2-CD2 3.45Å; I26-L32 VanDerWaalsContact CG2-CD2 3.45Å; I26-L139 HydrophobicContact CD1-CD1 4.23Å; I26-F186 HydrophobicContact CD1-CD1 4.21Å; I26-F186 HydrophobicContact CD1-CE1 4.33Å; I26-F186 HydrophobicContact CG1-CD1 3.46Å; I26-F186 VanDerWaalsContact CG1-CD1 3.46Å; I26-F186 HydrophobicContact CG1-CE1 4Å; I26-F186 HydrophobicContact CG1-CG 4.29Å; I26-I191 HydrophobicContact CG2-CB 4.15Å; I26-I191 HydrophobicContact CG2-CG2 3.75Å |
| 27 | T | 93.2 | Very high | 96.8 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | trans | -166.8 | 156.8 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | N18 T23 D29 H30 L32 | N18-T27 PolarHBondContact ND2-O 2.86Å; T23-T27 PolarHBondContact O-N 3.39Å; T27-D29 PolarHBondContact OG1-N 3.41Å; T27-D29 VanDerWaalsContact OG1-N 3.14Å; T27-H30 HydrophobicContact CG2-CB 4.05Å; T27-L32 HydrophobicContact CG2-CD1 3.28Å; T27-L32 HydrophobicContact CG2-CD2 4.14Å; T27-L32 HydrophobicContact CG2-CG 4.24Å | ||
| 28 | V | 89.8 | Confident | 96.8 | Very high | 74 Ų | 74 | 40.6 Ų | 40.6 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -110 | -11.4 | 170.4 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | S15 | S15-V28 PolarHBondContact N-O 2.7Š|
| 29 | D | 90.2 | Very high | 96.8 | Very high | 126 Ų | 126 | 40.7 Ų | 40.7 | 67% | 0.674 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -92.8 | -40.4 | -171.9 | -57.8 | -49.9 | 0 | 0 | 0 | 112 | S14 T27 | S14-D29 PolarHBondContact OG-O 2.96Å; T27-D29 PolarHBondContact OG1-N 3.41Å; T27-D29 VanDerWaalsContact OG1-N 3.14Å |
| 30 | H | 94.6 | Very high | 96.8 | Very high | 132 Ų | 132 | 37.3 Ų | 37.3 | 61% | 0.611 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -99 | 145.9 | 179.4 | -57.9 | -74.9 | 0 | 0 | 0 | 111.3 | N18 T27 L32 | N18-H30 PolarHBondContact ND2-O 3.17Å; T27-H30 HydrophobicContact CG2-CB 4.05Å; H30-L32 HydrophobicContact CB-CD1 3.87Å; H30-L32 WeakPolarHBondContact O-CD1 3.42Å; H30-L32 PolarHBondContact O-N 2.8Å |
| 31 | L | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 112.8 | 178.8 | -179 | 63.8 | 0 | 0 | 0 | 110.3 | L12 S14 N17 V33 F39 F136 I137 | L12-L31 HydrophobicContact CB-CB 4.38Å; L12-L31 HydrophobicContact CB-CD2 4.11Å; L12-L31 HydrophobicContact CD1-CB 4.32Å; L12-L31 HydrophobicContact CD1-CD2 4.42Å; L12-L31 HydrophobicContact CD2-CD2 4.5Å; S14-L31 PolarHBondContact OG-N 3.32Å; N17-L31 HydrophobicContact CB-CD1 3.54Å; L31-V33 HydrophobicContact CD1-CG1 3.59Å; L31-V33 HydrophobicContact CG-CG1 4.03Å; L31-F39 HydrophobicContact CD2-CD2 3.85Å; L31-F39 HydrophobicContact CD2-CE2 3.87Å; L31-F136 HydrophobicContact CB-CB 3.91Å; L31-F136 HydrophobicContact CD2-CB 3.73Å; L31-F136 HydrophobicContact CD2-CG 4.35Å; L31-F136 HydrophobicContact CG-CB 3.81Å; L31-F136 VanDerWaalsContact O-CA 3.3Å; L31-F136 WeakPolarHBondContact O-CA 3.41Å; L31-F136 WeakPolarHBondContact O-CB 3.46Å; L31-I137 PolarHBondContact O-N 2.6Å |
| 32 | L | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.1 | 174.6 | -81.2 | 71 | 0 | 0 | 0 | 108.6 | N18 T23 I26 T27 H30 I137 I191 | N18-L32 PolarHBondContact OD1-N 3.02Å; N18-L32 PolarHBondContact OD1-O 2.96Å; N18-L32 VanDerWaalsContact OD1-O 3.09Å; T23-L32 HydrophobicContact CG2-CB 4.18Å; T23-L32 PolarHBondContact OG1-O 3.38Å; I26-L32 HydrophobicContact CB-CD2 3.81Å; I26-L32 HydrophobicContact CD1-CD2 3.74Å; I26-L32 HydrophobicContact CG1-CD2 4.37Å; I26-L32 HydrophobicContact CG2-CD2 3.45Å; I26-L32 VanDerWaalsContact CG2-CD2 3.45Å; T27-L32 HydrophobicContact CG2-CD1 3.28Å; T27-L32 HydrophobicContact CG2-CD2 4.14Å; T27-L32 HydrophobicContact CG2-CG 4.24Å; H30-L32 HydrophobicContact CB-CD1 3.87Å; H30-L32 WeakPolarHBondContact O-CD1 3.42Å; H30-L32 PolarHBondContact O-N 2.8Å; L32-I137 HydrophobicContact CD1-CD1 4.37Å; L32-I137 HydrophobicContact CG-CB 4.09Å; L32-I137 HydrophobicContact CG-CD1 4.26Å; L32-I191 HydrophobicContact CD2-CG1 4.41Å |
| 33 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 162.8 | -174.7 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | N17 L31 F39 F136 I137 L138 L139 | N17-V33 HydrophobicContact CB-CG1 4.34Å; L31-V33 HydrophobicContact CD1-CG1 3.59Å; L31-V33 HydrophobicContact CG-CG1 4.03Å; V33-F39 HydrophobicContact CB-CD1 4.3Å; V33-F39 HydrophobicContact CG1-CB 3.75Å; V33-F39 HydrophobicContact CG1-CD1 4.22Å; V33-F39 HydrophobicContact CG1-CG 3.95Å; V33-F39 HydrophobicContact CG2-CD1 4Å; V33-F39 HydrophobicContact CG2-CE1 4.15Å; V33-F39 HydrophobicContact CG2-CG 4.45Å; V33-F136 HydrophobicContact CG2-CD2 3.72Å; V33-F136 HydrophobicContact CG2-CE2 4.16Å; V33-I137 PolarHBondContact N-O 2.83Å; V33-L138 HydrophobicContact CG2-CD1 3.81Å; V33-L138 CarbonylContact O-C 3.6Å; V33-L138 WeakPolarHBondContact O-CA 3.38Å; V33-L139 PolarHBondContact O-N 2.68Å |
| 34 | R | 98.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.2 | 178.4 | -56.8 | -174.6 | -178.1 | -83.7 | -2.1 | 109.5 | H21 H22 T23 L139 F140 N141 | H21-R34 HydrophobicContact CB-CG 4.43Å; H21-R34 PolarHBondContact CE1-O 3.42Å; H21-R34 PolarHBondContact ND1-N 2.96Å; H21-R34 WeakPolarHBondContact O-CD 3.45Å; H21-R34 PolarHBondContact O-NE 2.91Å; H22-R34 PolarHBondContact O-NH2 2.94Å; T23-R34 HydrophobicContact CG2-CG 4.37Å; R34-L139 WeakPolarHBondContact CA-O 3.48Å; R34-L139 HydrophobicContact CG-CB 4.34Å; R34-F140 PolarHBondContact NH1-O 3.08Å; R34-N141 HydrophobicContact CB-CB 3.64Å |
| 35 | R | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 157.8 | -179.1 | 68.7 | -170.9 | -172.3 | 162.3 | 10.8 | 112.6 | Q37 A106 P108 A110 L138 L139 F140 N141 D147 G216 | R35-Q37 PolarHBondContact O-N 3.43Å; R35-A106 HydrophobicContact CB-CB 4.49Å; R35-P108 WeakPolarHBondContact CD-O 3.44Å; R35-P108 PolarHBondContact NE-O 3.22Å; R35-P108 PolarHBondContact NH1-O 2.98Å; R35-P108 PolarHBondContact NH2-O 3.4Å; R35-A110 HydrophobicContact CB-CB 4.37Å; R35-A110 WeakPolarHBondContact CD-O 3.27Å; R35-A110 PolarHBondContact NH1-O 2.8Å; R35-L138 HydrophobicContact CB-CD1 4.09Å; R35-L138 HydrophobicContact CB-CD2 4.04Å; R35-L138 HydrophobicContact CB-CG 4.03Å; R35-L139 PolarHBondContact N-O 2.94Å; R35-F140 VanDerWaalsContact CZ-CE1 3.43Å; R35-F140 VanDerWaalsContact NH2-CE1 3.28Å; R35-N141 HydrophobicContact CG-CB 4.33Å; R35-N141 WeakPolarHBondContact O-CB 3.28Å; R35-N141 PolarHBondContact O-ND2 3.16Å; R35-D147 VanDerWaalsContact CG-OD2 3.32Å; R35-D147 WeakPolarHBondContact CG-OD2 3.19Å; R35-D147 IonicContact CZ-OD1 3.35Å; R35-D147 IonicContact CZ-OD2 3.21Å; R35-D147 IonicContact NE-OD1 3.68Å; R35-D147 PolarHBondContact NE-OD1 3.33Å; R35-D147 IonicContact NE-OD2 3.83Å; R35-D147 PolarHBondContact NE-OD2 3.2Å; R35-D147 IonicContact NH2-OD1 3.65Å; R35-D147 PolarHBondContact NH2-OD1 2.78Å; R35-D147 IonicContact NH2-OD2 2.92Å; R35-G216 PolarHBondContact NH1-O 2.81Å |
| 36 | G | 98.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 37 Ų | 37 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A106 | G36-A106 WeakPolarHBondContact CA-O 3.33Å; G36-A106 PolarHBondContact N-O 3.39Å |
| 37 | Q | 98.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -129 | 142.8 | 177.7 | -179.8 | -179.1 | -4.3 | 0 | 0 | 110.2 | R20 H21 R35 N141 | R20-Q37 PolarHBondContact O-NE2 3.37Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.14Å; H21-Q37 PolarHBondContact ND1-OE1 3.23Å; R35-Q37 PolarHBondContact O-N 3.43Å; Q37-N141 WeakPolarHBondContact CB-ND2 3.49Å; Q37-N141 PolarHBondContact OE1-ND2 2.59Å |
| 38 | A | 98.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 40 Ų | 40 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H21 W91 L104 C105 | H21-A38 PolarHBondContact NE2-O 2.95Å; A38-W91 HydrophobicContact CB-CH2 3.46Å; A38-W91 VanDerWaalsContact CB-CH2 3.46Å; A38-W91 HydrophobicContact CB-CZ2 3.73Å; A38-L104 CarbonylContact C-O 3.47Å; A38-L104 VanDerWaalsContact CA-O 3.26Å; A38-L104 WeakPolarHBondContact CA-O 3.37Å; A38-C105 HydrophobicContact CB-CB 4.27Å |
| 39 | F | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.4 | 171.4 | 65.1 | -86.6 | 0 | 0 | 0 | 111.1 | N17 L31 V33 S103 L104 F136 | N17-F39 HydrophobicContact CB-CB 4.37Å; L31-F39 HydrophobicContact CD2-CD2 3.85Å; L31-F39 HydrophobicContact CD2-CE2 3.87Å; V33-F39 HydrophobicContact CB-CD1 4.3Å; V33-F39 HydrophobicContact CG1-CB 3.75Å; V33-F39 HydrophobicContact CG1-CD1 4.22Å; V33-F39 HydrophobicContact CG1-CG 3.95Å; V33-F39 HydrophobicContact CG2-CD1 4Å; V33-F39 HydrophobicContact CG2-CE1 4.15Å; V33-F39 HydrophobicContact CG2-CG 4.45Å; F39-S103 WeakPolarHBondContact O-CA 3.24Å; F39-L104 HydrophobicContact CD1-CB 4.45Å; F39-L104 WeakPolarHBondContact CD1-O 3.35Å; F39-L104 HydrophobicContact CE1-CB 3.92Å; F39-L104 HydrophobicContact CE2-CB 4.05Å; F39-L104 HydrophobicContact CE2-CD2 4.23Å; F39-L104 HydrophobicContact CZ-CB 3.71Å; F39-L104 HydrophobicContact CZ-CD2 4.06Å; F39-L104 HydrophobicContact CZ-CG 4.49Å; F39-L104 PolarHBondContact N-O 3.14Å; F39-L104 PolarHBondContact O-N 2.86Å; F39-F136 HydrophobicContact CZ-CE2 4.38Å; F39-F136 HydrophobicContact CZ-CZ 4.3Å |
| 40 | N | 97.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147.7 | -172.6 | -66.2 | 91.3 | 0 | 0 | 0 | 111.8 | N17 R20 V102 S103 | N17-N40 PolarHBondContact ND2-O 2.9Å; N17-N40 PolarHBondContact OD1-N 3Å; R20-N40 PolarHBondContact NH1-OD1 2.97Å; N40-V102 CarbonylContact C-O 3.53Å; N40-V102 WeakPolarHBondContact CA-O 3.36Å; N40-S103 PolarHBondContact ND2-OG 3.04Å |
| 41 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.4 | 162.9 | 66.3 | 88.4 | 0 | 0 | 0 | 110.4 | T10 D11 L12 L43 E101 V102 L104 L117 | T10-L41 HydrophobicContact CG2-CD1 4.44Å; D11-L41 CarbonylContact O-C 3.56Å; D11-L41 WeakPolarHBondContact O-CA 3.31Å; D11-L41 WeakPolarHBondContact O-CB 3.23Å; L12-L41 HydrophobicContact CD2-CB 4.37Å; L12-L41 HydrophobicContact CD2-CD2 4.45Å; L41-L43 HydrophobicContact CD1-CD1 4.41Å; L41-L43 HydrophobicContact CD1-CD2 3.6Å; L41-L43 HydrophobicContact CD1-CG 3.68Å; L41-E101 WeakPolarHBondContact O-CA 3.35Å; L41-V102 HydrophobicContact CD1-CG2 3.39Å; L41-V102 HydrophobicContact CD2-CG2 4.4Å; L41-V102 HydrophobicContact CG-CG2 3.57Å; L41-V102 PolarHBondContact N-O 2.8Å; L41-V102 PolarHBondContact O-N 2.89Å; L41-L104 HydrophobicContact CD2-CD1 3.55Å; L41-L104 HydrophobicContact CD2-CD2 3.98Å; L41-L104 HydrophobicContact CD2-CG 4.45Å; L41-L104 HydrophobicContact CG-CD1 3.91Å; L41-L117 HydrophobicContact CD2-CD2 3.59Å |
| 42 | T | 97.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | T10 D11 Q13 Y44 T100 | T10-T42 WeakPolarHBondContact CA-O 3.48Å; D11-T42 PolarHBondContact N-O 3.39Å; D11-T42 PolarHBondContact O-N 3.5Å; Q13-T42 PolarHBondContact NE2-OG1 2.86Å; T42-Y44 HydrophobicContact CG2-CD2 4.15Å; T42-Y44 HydrophobicContact CG2-CE1 4.22Å; T42-Y44 HydrophobicContact CG2-CE2 3.6Å; T42-T100 WeakPolarHBondContact CA-O 3.33Å |
| 43 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.1 | 172.4 | -58.6 | 176.3 | 0 | 0 | 0 | 108.7 | T10 L41 F45 I57 S99 T100 I119 L133 | T10-L43 HydrophobicContact CG2-CD2 4Å; L41-L43 HydrophobicContact CD1-CD1 4.41Å; L41-L43 HydrophobicContact CD1-CD2 3.6Å; L41-L43 HydrophobicContact CD1-CG 3.68Å; L43-F45 HydrophobicContact CB-CE1 4.2Å; L43-F45 HydrophobicContact CB-CE2 4.13Å; L43-F45 HydrophobicContact CB-CZ 3.69Å; L43-F45 HydrophobicContact CD1-CZ 4.24Å; L43-I57 HydrophobicContact CD1-CD1 3.89Å; L43-I57 HydrophobicContact CD1-CG2 4.49Å; L43-S99 CarbonylContact O-C 3.49Å; L43-S99 WeakPolarHBondContact O-CA 3.18Å; L43-T100 PolarHBondContact N-O 3.44Å; L43-T100 PolarHBondContact O-N 2.87Å; L43-I119 HydrophobicContact CD1-CD1 4.14Å; L43-I119 HydrophobicContact CD2-CD1 4.24Å; L43-L133 HydrophobicContact CD2-CD1 3.84Å; L43-L133 HydrophobicContact CD2-CD2 4.36Å |
| 44 | Y | 96.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 35% | 0.345 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137 | 171.8 | -64 | -89.6 | 0 | 0 | 0 | 109.3 | A8 L9 D11 T42 | A8-Y44 WeakPolarHBondContact CB-O 3.34Å; A8-Y44 PolarHBondContact N-O 2.8Å; L9-Y44 HydrophobicContact CB-CD2 4.22Å; L9-Y44 HydrophobicContact CD2-CD2 4.15Å; L9-Y44 HydrophobicContact CD2-CE2 4.48Å; L9-Y44 HydrophobicContact CG-CD2 4.24Å; L9-Y44 PolarHBondContact N-O 2.84Å; L9-Y44 PolarHBondContact O-N 2.75Å; D11-Y44 HydrophobicContact CB-CE2 4.13Å; T42-Y44 HydrophobicContact CG2-CD2 4.15Å; T42-Y44 HydrophobicContact CG2-CE1 4.22Å; T42-Y44 HydrophobicContact CG2-CE2 3.6Å |
| 45 | F | 94.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.2 | -175.1 | -55.5 | -75.9 | 0 | 0 | 0 | 111.9 | L5 E6 V7 L43 R48 F50 I57 T98 T100 I121 | L5-F45 HydrophobicContact CD1-CB 4.05Å; L5-F45 HydrophobicContact CD1-CD1 3.48Å; L5-F45 VanDerWaalsContact CD1-CD1 3.48Å; L5-F45 HydrophobicContact CD1-CD2 4.14Å; L5-F45 HydrophobicContact CD1-CE1 3.89Å; L5-F45 HydrophobicContact CD1-CE2 4.5Å; L5-F45 HydrophobicContact CD1-CG 3.61Å; L5-F45 HydrophobicContact CD1-CZ 4.38Å; L5-F45 HydrophobicContact CD2-CD1 4.1Å; L5-F45 HydrophobicContact CD2-CE1 3.65Å; L5-F45 HydrophobicContact CD2-CZ 4Å; L5-F45 HydrophobicContact CG-CD1 3.58Å; L5-F45 HydrophobicContact CG-CE1 3.66Å; L5-F45 HydrophobicContact CG-CG 4.25Å; L5-F45 HydrophobicContact CG-CZ 4.38Å; E6-F45 CarbonylContact O-C 3.58Å; E6-F45 WeakPolarHBondContact O-CA 3.45Å; E6-F45 WeakPolarHBondContact O-CB 3.46Å; V7-F45 HydrophobicContact CG2-CD1 4.25Å; V7-F45 HydrophobicContact CG2-CE1 4.05Å; L43-F45 HydrophobicContact CB-CE1 4.2Å; L43-F45 HydrophobicContact CB-CE2 4.13Å; L43-F45 HydrophobicContact CB-CZ 3.69Å; L43-F45 HydrophobicContact CD1-CZ 4.24Å; F45-R48 WeakPolarHBondContact CB-O 3.28Å; F45-F50 HydrophobicContact CE2-CB 4.02Å; F45-F50 HydrophobicContact CZ-CB 4.21Å; F45-I57 HydrophobicContact CZ-CD1 4.16Å; F45-T98 PolarHBondContact N-O 2.94Å; F45-T100 WeakPolarHBondContact CE2-OG1 3.34Å; F45-I121 HydrophobicContact CE1-CD1 4.33Å |
| 46 | R | 90.7 | Very high | 93 | Very high | 161 Ų | 161 | 41.4 Ų | 41.4 | 61% | 0.608 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -75.4 | -44.3 | -178.2 | -68.3 | -170.4 | -177.8 | -102.2 | -4.6 | 113.3 | E6 A8 | E6-R46 PolarHBondContact O-N 3.49Å; E6-R46 WeakPolarHBondContact OE1-CD 3.47Å; E6-R46 IonicContact OE1-NE 2.78Å; A8-R46 HydrophobicContact CB-CB 4.48Å; A8-R46 HydrophobicContact CB-CG 3.46Å; A8-R46 VanDerWaalsContact CB-CG 3.46Å |
| 47 | N | 86.8 | Confident | 92.7 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -102.5 | -46.4 | -161.8 | -56.3 | -31.4 | 0 | 0 | 0 | 112.3 | E6 | E6-N47 PolarHBondContact OE2-ND2 3.13Å; E6-N47 VanDerWaalsContact OE2-ND2 3.11Å |
| 48 | R | 89.8 | Confident | 92.5 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | trans | -157.2 | 163 | 179 | 63.2 | 175 | -177.5 | 81 | -2.7 | 110.6 | Q3 L5 F45 D55 | Q3-R48 PolarHBondContact O-NE 2.6Å; Q3-R48 PolarHBondContact O-NH2 2.85Å; L5-R48 HydrophobicContact CD1-CG 4.39Å; L5-R48 WeakPolarHBondContact CD1-O 3.42Å; F45-R48 WeakPolarHBondContact CB-O 3.28Å; R48-D55 IonicContact CZ-OD1 3.11Å; R48-D55 IonicContact CZ-OD2 2.91Å; R48-D55 IonicContact NH1-OD1 3.26Å; R48-D55 IonicContact NH1-OD2 3.92Å; R48-D55 PolarHBondContact NH1-OD2 2.88Å; R48-D55 VanDerWaalsContact NH2-CG 3.32Å; R48-D55 IonicContact NH2-OD1 2.75Å; R48-D55 PolarHBondContact NH2-OD1 3.07Å; R48-D55 IonicContact NH2-OD2 2.65Å; R48-D55 PolarHBondContact NH2-OD2 3.14Å; R48-D55 VanDerWaalsContact NH2-OD2 3.17Å | ||
| 49 | G | 89.6 | Confident | 92.4 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | trans | -70.3 | 163.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A97 | G49-A97 VanDerWaalsContact CA-O 3.22Å; G49-A97 WeakPolarHBondContact CA-O 2.86Å; G49-A97 PolarHBondContact N-O 2.84Å | ||
| 50 | F | 91.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | trans | -63.1 | 131 | 175.1 | 172.9 | -111.2 | 0 | 0 | 0 | 111 | L5 F45 P52 D55 I57 L79 N95 T100 | L5-F50 HydrophobicContact CD2-CB 4.2Å; L5-F50 HydrophobicContact CD2-CD2 3.83Å; F45-F50 HydrophobicContact CE2-CB 4.02Å; F45-F50 HydrophobicContact CZ-CB 4.21Å; F50-P52 HydrophobicContact CD1-CG 4.21Å; F50-P52 HydrophobicContact CE1-CB 4.41Å; F50-P52 HydrophobicContact CE1-CG 3.79Å; F50-D55 HydrophobicContact CD2-CB 3.59Å; F50-D55 HydrophobicContact CE2-CB 3.55Å; F50-D55 WeakPolarHBondContact CE2-O 3.42Å; F50-I57 HydrophobicContact CD2-CD1 3.68Å; F50-I57 HydrophobicContact CD2-CG1 3.96Å; F50-I57 HydrophobicContact CE2-CD1 3.95Å; F50-I57 HydrophobicContact CE2-CG1 3.84Å; F50-I57 HydrophobicContact CG-CD1 4.27Å; F50-L79 HydrophobicContact CD1-CD2 4.31Å; F50-L79 HydrophobicContact CE1-CD2 3.67Å; F50-L79 HydrophobicContact CE2-CD2 4.32Å; F50-L79 HydrophobicContact CZ-CD2 3.7Å; F50-N95 PolarHBondContact O-ND2 3.22Å; F50-N95 PolarHBondContact O-OD1 3.47Å; F50-T100 HydrophobicContact CB-CG2 4.46Å; F50-T100 VanDerWaalsContact CB-OG1 3.28Å; F50-T100 WeakPolarHBondContact CB-OG1 3.43Å; F50-T100 HydrophobicContact CD1-CG2 4.26Å | ||
| 51 | Q | 90.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | trans | -116.2 | 104.4 | 178.7 | -71 | -178 | -19 | 0 | 0 | 110.3 | G53 L54 D55 | Q51-G53 PolarHBondContact O-N 3.28Å; Q51-L54 HydrophobicContact CB-CB 4.03Å; Q51-L54 HydrophobicContact CB-CD1 4.19Å; Q51-L54 PolarHBondContact O-N 3.09Å; Q51-D55 PolarHBondContact N-OD2 2.89Å; Q51-D55 PolarHBondContact O-N 3.47Å | ||
| 52 | P | 87.3 | Confident | 92.4 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 53% | 0.532 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -52.9 | 132 | 175.6 | -25.5 | 32.8 | 0 | 0 | 0 | 111.9 | F50 L54 L92 | F50-P52 HydrophobicContact CD1-CG 4.21Å; F50-P52 HydrophobicContact CE1-CB 4.41Å; F50-P52 HydrophobicContact CE1-CG 3.79Å; P52-L54 VanDerWaalsContact C-N 3.27Å; P52-L54 PolarHBondContact O-N 2.83Å; P52-L92 HydrophobicContact CG-CD2 4.49Å |
| 53 | G | 83.9 | Confident | 92.5 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 78% | 0.784 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -18.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q51 | Q51-G53 PolarHBondContact O-N 3.28Š|
| 54 | L | 87.6 | Confident | 92.5 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 40% | 0.398 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -30 | 171.6 | -67.3 | 175.7 | 0 | 0 | 0 | 112.5 | Q51 P52 F124 | Q51-L54 HydrophobicContact CB-CB 4.03Å; Q51-L54 HydrophobicContact CB-CD1 4.19Å; Q51-L54 PolarHBondContact O-N 3.09Å; P52-L54 VanDerWaalsContact C-N 3.27Å; P52-L54 PolarHBondContact O-N 2.83Å; L54-F124 HydrophobicContact CD2-CB 4.17Å; L54-F124 HydrophobicContact CD2-CD1 4.26Å; L54-F124 HydrophobicContact CD2-CG 4.18Å; L54-F124 WeakPolarHBondContact O-CB 3.18Å; L54-F124 PolarHBondContact O-N 2.86Å |
| 55 | D | 89.6 | Confident | 92.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.1 | 174.8 | -57.1 | -54.4 | 0 | 0 | 0 | 110.5 | L5 R48 F50 Q51 D122 S123 | L5-D55 HydrophobicContact CD2-CB 4.02Å; R48-D55 IonicContact CZ-OD1 3.11Å; R48-D55 IonicContact CZ-OD2 2.91Å; R48-D55 IonicContact NH1-OD1 3.26Å; R48-D55 IonicContact NH1-OD2 3.92Å; R48-D55 PolarHBondContact NH1-OD2 2.88Å; R48-D55 VanDerWaalsContact NH2-CG 3.32Å; R48-D55 IonicContact NH2-OD1 2.75Å; R48-D55 PolarHBondContact NH2-OD1 3.07Å; R48-D55 IonicContact NH2-OD2 2.65Å; R48-D55 PolarHBondContact NH2-OD2 3.14Å; R48-D55 VanDerWaalsContact NH2-OD2 3.17Å; F50-D55 HydrophobicContact CD2-CB 3.59Å; F50-D55 HydrophobicContact CE2-CB 3.55Å; F50-D55 WeakPolarHBondContact CE2-O 3.42Å; Q51-D55 PolarHBondContact N-OD2 2.89Å; Q51-D55 PolarHBondContact O-N 3.47Å; D55-D122 CarbonylContact C-O 3.54Å; D55-D122 WeakPolarHBondContact CA-O 3.46Å; D55-S123 WeakPolarHBondContact OD1-CB 3.33Å; D55-S123 PolarHBondContact OD1-OG 2.91Å |
| 56 | N | 89.9 | Confident | 92.6 | Very high | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.4 | 171.2 | -179.7 | 30.4 | 0 | 0 | 0 | 109.3 | S78 D122 | N56-S78 PolarHBondContact OD1-OG 2.99Å; N56-D122 HydrophobicContact CB-CB 4.34Å; N56-D122 PolarHBondContact N-O 2.96Å; N56-D122 PolarHBondContact O-N 2.87Å |
| 57 | I | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.8 | 173.3 | -58.3 | 176.7 | 0 | 0 | 0 | 107.8 | L5 L43 F45 F50 F59 S78 L79 I119 I121 | L5-I57 HydrophobicContact CD2-CD1 4.49Å; L43-I57 HydrophobicContact CD1-CD1 3.89Å; L43-I57 HydrophobicContact CD1-CG2 4.49Å; F45-I57 HydrophobicContact CZ-CD1 4.16Å; F50-I57 HydrophobicContact CD2-CD1 3.68Å; F50-I57 HydrophobicContact CD2-CG1 3.96Å; F50-I57 HydrophobicContact CE2-CD1 3.95Å; F50-I57 HydrophobicContact CE2-CG1 3.84Å; F50-I57 HydrophobicContact CG-CD1 4.27Å; I57-F59 HydrophobicContact CG2-CD2 4.46Å; I57-F59 HydrophobicContact CG2-CE1 4.28Å; I57-F59 HydrophobicContact CG2-CE2 3.89Å; I57-F59 HydrophobicContact CG2-CZ 3.77Å; I57-S78 WeakPolarHBondContact O-CA 3.37Å; I57-L79 HydrophobicContact CB-CB 4.27Å; I57-L79 HydrophobicContact CB-CD2 4.4Å; I57-L79 HydrophobicContact CD1-CD2 4.18Å; I57-L79 PolarHBondContact O-N 2.92Å; I57-I119 HydrophobicContact CG2-CB 4.2Å; I57-I119 HydrophobicContact CG2-CD1 4.46Å; I57-I119 HydrophobicContact CG2-CG2 4.02Å; I57-I121 HydrophobicContact CG1-CG1 4.35Å |
| 58 | I | 94.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.6 | 179 | -54.2 | 171.5 | 0 | 0 | 0 | 107.5 | V76 F77 I119 H120 | I58-V76 HydrophobicContact CG2-CG1 3.48Å; I58-V76 VanDerWaalsContact CG2-CG1 3.48Å; I58-F77 CarbonylContact C-O 3.56Å; I58-F77 WeakPolarHBondContact CA-O 3.17Å; I58-I119 CarbonylContact O-C 3.57Å; I58-I119 VanDerWaalsContact O-CA 3.23Å; I58-I119 WeakPolarHBondContact O-CA 3.41Å; I58-H120 HydrophobicContact CB-CB 4.24Å; I58-H120 PolarHBondContact N-O 2.94Å; I58-H120 PolarHBondContact O-N 2.62Å |
| 59 | F | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143 | 173.9 | -60.9 | -87.2 | 0 | 0 | 0 | 110.8 | I57 V76 F77 L79 A90 V102 L104 L117 K118 I119 | I57-F59 HydrophobicContact CG2-CD2 4.46Å; I57-F59 HydrophobicContact CG2-CE1 4.28Å; I57-F59 HydrophobicContact CG2-CE2 3.89Å; I57-F59 HydrophobicContact CG2-CZ 3.77Å; F59-V76 VanDerWaalsContact O-CA 3.31Å; F59-V76 WeakPolarHBondContact O-CA 3.13Å; F59-F77 HydrophobicContact CB-CD1 4.19Å; F59-F77 HydrophobicContact CB-CD2 3.95Å; F59-F77 HydrophobicContact CB-CE1 3.83Å; F59-F77 HydrophobicContact CB-CE2 3.59Å; F59-F77 HydrophobicContact CB-CG 4.23Å; F59-F77 HydrophobicContact CB-CZ 3.52Å; F59-F77 HydrophobicContact CD2-CD2 4.15Å; F59-F77 HydrophobicContact CD2-CE2 4.03Å; F59-F77 HydrophobicContact CG-CD2 4.37Å; F59-F77 AromaticContact CG-CE2 3.92Å; F59-F77 HydrophobicContact CG-CE2 3.92Å; F59-F77 HydrophobicContact CG-CZ 4.22Å; F59-F77 PolarHBondContact N-O 2.7Å; F59-F77 PolarHBondContact O-N 2.87Å; F59-L79 HydrophobicContact CE2-CB 4.21Å; F59-L79 HydrophobicContact CE2-CD1 4.43Å; F59-A90 HydrophobicContact CD2-CB 3.7Å; F59-A90 HydrophobicContact CE2-CB 3.61Å; F59-V102 HydrophobicContact CE1-CG2 4.34Å; F59-V102 HydrophobicContact CZ-CB 4.45Å; F59-V102 HydrophobicContact CZ-CG2 3.9Å; F59-L104 HydrophobicContact CD1-CD2 3.89Å; F59-L104 HydrophobicContact CD1-CG 4.48Å; F59-L104 HydrophobicContact CE1-CD1 4.16Å; F59-L104 HydrophobicContact CE1-CD2 4.22Å; F59-L104 HydrophobicContact CE1-CG 4.5Å; F59-L104 HydrophobicContact CG-CD2 4.37Å; F59-L104 HydrophobicContact CZ-CD1 4.34Å; F59-L117 HydrophobicContact CD1-CD1 4.23Å; F59-K118 WeakPolarHBondContact CA-O 3.47Å; F59-I119 HydrophobicContact CD1-CG2 3.3Å; F59-I119 HydrophobicContact CE1-CG2 3.51Å; F59-I119 HydrophobicContact CG-CG2 4.07Å; F59-I119 HydrophobicContact CZ-CG2 4.4Å |
| 60 | V | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.7 | 170.1 | -173.2 | 0 | 0 | 0 | 0 | 108 | E62 R74 A75 V76 K118 H120 | V60-E62 HydrophobicContact CG1-CG 4.22Å; V60-R74 HydrophobicContact CG1-CG 4.46Å; V60-A75 WeakPolarHBondContact CA-O 3.12Å; V60-V76 HydrophobicContact CG1-CG2 4.15Å; V60-V76 HydrophobicContact CG2-CG1 4.42Å; V60-V76 HydrophobicContact CG2-CG2 4.09Å; V60-K118 HydrophobicContact CB-CB 4.25Å; V60-K118 PolarHBondContact N-O 3.08Å; V60-K118 PolarHBondContact O-N 2.64Å; V60-H120 VanDerWaalsContact CG2-CD2 3.47Å; V60-H120 WeakPolarHBondContact CG2-CD2 3.29Å |
| 61 | V | 98.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137 | 174.2 | -63 | 0 | 0 | 0 | 0 | 109.7 | R74 A75 F77 W88 Y115 L116 L117 F136 | V61-R74 CarbonylContact O-C 3.55Å; V61-R74 VanDerWaalsContact O-CA 3.27Å; V61-R74 WeakPolarHBondContact O-CA 3.45Å; V61-A75 HydrophobicContact CG2-CB 3.75Å; V61-A75 PolarHBondContact N-O 3.29Å; V61-A75 PolarHBondContact O-N 2.81Å; V61-F77 HydrophobicContact CG1-CE1 4.02Å; V61-F77 HydrophobicContact CG1-CZ 4.14Å; V61-F77 HydrophobicContact CG2-CE1 3.95Å; V61-W88 HydrophobicContact CB-CH2 4.46Å; V61-W88 HydrophobicContact CB-CZ3 4.47Å; V61-W88 HydrophobicContact CG1-CE3 4.4Å; V61-W88 HydrophobicContact CG1-CZ3 4.13Å; V61-W88 HydrophobicContact CG2-CD2 3.82Å; V61-W88 HydrophobicContact CG2-CE3 3.96Å; V61-W88 HydrophobicContact CG2-CG 4.42Å; V61-W88 HydrophobicContact CG2-CH2 4.01Å; V61-W88 HydrophobicContact CG2-CZ2 3.88Å; V61-W88 HydrophobicContact CG2-CZ3 4.04Å; V61-Y115 HydrophobicContact CB-CD1 4.06Å; V61-Y115 HydrophobicContact CG2-CD1 4.46Å; V61-L116 WeakPolarHBondContact CA-O 3.45Å; V61-L117 HydrophobicContact CG1-CD1 3.56Å; V61-F136 HydrophobicContact CG1-CE1 4.27Å; V61-F136 HydrophobicContact CG1-CZ 4.36Å |
| 62 | E | 98.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.5 | -174.1 | -74.5 | 169.8 | 170.5 | 0 | 0 | 110.2 | V60 P67 T73 R74 Y115 L116 K118 | V60-E62 HydrophobicContact CG1-CG 4.22Å; E62-P67 HydrophobicContact CB-CB 3.81Å; E62-P67 HydrophobicContact CB-CG 3.82Å; E62-P67 HydrophobicContact CG-CB 3.79Å; E62-P67 HydrophobicContact CG-CG 4.17Å; E62-T73 CarbonylContact C-O 3.59Å; E62-T73 WeakPolarHBondContact CA-O 3.32Å; E62-R74 HydrophobicContact CG-CB 4.21Å; E62-R74 HydrophobicContact CG-CG 3.73Å; E62-R74 WeakPolarHBondContact OE1-CD 3.49Å; E62-R74 IonicContact OE1-CZ 3.17Å; E62-R74 IonicContact OE1-NE 2.67Å; E62-R74 PolarHBondContact OE1-NE 2.75Å; E62-R74 IonicContact OE1-NH2 2.7Å; E62-Y115 CarbonylContact O-C 3.56Å; E62-Y115 VanDerWaalsContact O-CA 3.28Å; E62-Y115 WeakPolarHBondContact O-CA 3.34Å; E62-L116 PolarHBondContact N-O 3.33Å; E62-L116 VanDerWaalsContact N-O 3.09Å; E62-L116 PolarHBondContact O-N 2.9Å; E62-K118 IonicContact OE2-NZ 2.71Å; E62-K118 PolarHBondContact OE2-NZ 3.09Å |
| 63 | T | 98.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | T73 A111 R114 Y115 | T63-T73 HydrophobicContact CG2-CG2 4.05Å; T63-T73 PolarHBondContact N-O 2.77Å; T63-A111 HydrophobicContact CG2-CB 4.39Å; T63-R114 WeakPolarHBondContact CB-O 3.47Å; T63-R114 PolarHBondContact OG1-O 2.96Å; T63-Y115 HydrophobicContact CG2-CD1 4.28Å; T63-Y115 HydrophobicContact CG2-CE1 3.56Å; T63-Y115 HydrophobicContact CG2-CE2 4Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.27Å |
| 64 | G | 96.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 75.6 | 171.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L66 | G64-L66 VanDerWaalsContact C-N 3.3Å; G64-L66 PolarHBondContact O-N 2.88Å |
| 65 | P | 96.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 49% | 0.494 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -75.8 | -19.3 | -177.6 | 30.8 | -35.6 | 0 | 0 | 0 | 113.3 | F204 P208 | P65-F204 HydrophobicContact CG-CE2 4.19Å; P65-F204 HydrophobicContact CG-CZ 4.02Å; P65-P208 HydrophobicContact CG-CB 3.78Å; P65-P208 HydrophobicContact CG-CG 4.34Å |
| 66 | L | 96.9 | Very high | 96 | Very high | 102 Ų | 102 | 42.9 Ų | 42.9 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -129.8 | 72.6 | -179.6 | -62.4 | 173.2 | 0 | 0 | 0 | 110.2 | G64 D68 P208 A209 | G64-L66 VanDerWaalsContact C-N 3.3Å; G64-L66 PolarHBondContact O-N 2.88Å; L66-D68 PolarHBondContact O-N 3.01Å; L66-P208 HydrophobicContact CD1-CG 4.35Å; L66-A209 HydrophobicContact CB-CB 4.04Å; L66-A209 HydrophobicContact CD1-CB 4.1Å |
| 67 | P | 96.9 | Very high | 96.2 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | trans | -66.6 | 130 | -178.3 | -18.1 | 31.6 | 0 | 0 | 0 | 112 | E62 R74 | E62-P67 HydrophobicContact CB-CB 3.81Å; E62-P67 HydrophobicContact CB-CG 3.82Å; E62-P67 HydrophobicContact CG-CB 3.79Å; E62-P67 HydrophobicContact CG-CG 4.17Å; P67-R74 HydrophobicContact CB-CB 3.97Å | ||
| 68 | D | 96.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | trans | -136 | 138.1 | -175.3 | -177 | -87.1 | 0 | 0 | 0 | 112.1 | L66 A70 L71 G72 T73 R74 | L66-D68 PolarHBondContact O-N 3.01Å; D68-A70 WeakPolarHBondContact OD1-CA 3.44Å; D68-A70 WeakPolarHBondContact OD1-CB 3.35Å; D68-A70 PolarHBondContact OD1-N 2.87Å; D68-L71 HydrophobicContact CB-CB 4.1Å; D68-L71 HydrophobicContact CB-CD1 4.09Å; D68-L71 HydrophobicContact CB-CG 4.13Å; D68-L71 PolarHBondContact OD1-N 2.84Å; D68-G72 PolarHBondContact O-N 2.72Å; D68-T73 PolarHBondContact N-OG1 2.58Å; D68-T73 PolarHBondContact O-N 2.96Å; D68-T73 VanDerWaalsContact O-N 3.11Å; D68-T73 PolarHBondContact O-OG1 2.81Å; D68-R74 PolarHBondContact O-N 3.15Å | ||
| 69 | L | 94.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -39.3 | -176.8 | -79.7 | 166.5 | 0 | 0 | 0 | 112.5 | G72 R74 V76 | L69-G72 PolarHBondContact O-N 2.65Å; L69-R74 HydrophobicContact CD2-CB 4.42Å; L69-R74 HydrophobicContact CD2-CG 4.08Å; L69-R74 HydrophobicContact CG-CB 4.41Å; L69-R74 HydrophobicContact CG-CG 4.2Å; L69-V76 HydrophobicContact CD2-CG2 4.02Å |
| 70 | A | 93.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 43.6 Ų | 43.6 | 81% | 0.81 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -33.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D68 G72 | D68-A70 WeakPolarHBondContact OD1-CA 3.44Å; D68-A70 WeakPolarHBondContact OD1-CB 3.35Å; D68-A70 PolarHBondContact OD1-N 2.87Å; A70-G72 VanDerWaalsContact C-N 3.29Å |
| 71 | L | 93.7 | Very high | 92.7 | Very high | 85 Ų | 85 | 52 Ų | 52 | 45% | 0.445 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.7 | 175.1 | -60.5 | -178.9 | 0 | 0 | 0 | 113.5 | D68 T73 A209 A213 | D68-L71 HydrophobicContact CB-CB 4.1Å; D68-L71 HydrophobicContact CB-CD1 4.09Å; D68-L71 HydrophobicContact CB-CG 4.13Å; D68-L71 PolarHBondContact OD1-N 2.84Å; L71-T73 VanDerWaalsContact C-N 3.3Å; L71-T73 PolarHBondContact O-N 2.97Å; L71-A209 HydrophobicContact CD1-CB 4.37Å; L71-A213 HydrophobicContact CB-CB 3.88Å |
| 72 | G | 94.9 | Very high | 90.5 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 8.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D68 L69 A70 R74 | D68-G72 PolarHBondContact O-N 2.72Å; L69-G72 PolarHBondContact O-N 2.65Å; A70-G72 VanDerWaalsContact C-N 3.29Å; G72-R74 VanDerWaalsContact C-N 3.29Å |
| 73 | T | 97.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -83.5 | -7 | 172.1 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | E62 T63 D68 L71 C212 A213 | E62-T73 CarbonylContact C-O 3.59Å; E62-T73 WeakPolarHBondContact CA-O 3.32Å; T63-T73 HydrophobicContact CG2-CG2 4.05Å; T63-T73 PolarHBondContact N-O 2.77Å; D68-T73 PolarHBondContact N-OG1 2.58Å; D68-T73 PolarHBondContact O-N 2.96Å; D68-T73 VanDerWaalsContact O-N 3.11Å; D68-T73 PolarHBondContact O-OG1 2.81Å; L71-T73 VanDerWaalsContact C-N 3.3Å; L71-T73 PolarHBondContact O-N 2.97Å; T73-C212 HydrophobicContact CG2-CB 4.1Å; T73-A213 HydrophobicContact CG2-CB 4.03Å |
| 74 | R | 97.9 | Very high | 86.3 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 30% | 0.302 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.8 | 166.2 | -177.9 | 171.4 | -173.5 | -126.8 | -4.5 | 109.8 | V60 V61 E62 P67 D68 L69 G72 | V60-R74 HydrophobicContact CG1-CG 4.46Å; V61-R74 CarbonylContact O-C 3.55Å; V61-R74 VanDerWaalsContact O-CA 3.27Å; V61-R74 WeakPolarHBondContact O-CA 3.45Å; E62-R74 HydrophobicContact CG-CB 4.21Å; E62-R74 HydrophobicContact CG-CG 3.73Å; E62-R74 WeakPolarHBondContact OE1-CD 3.49Å; E62-R74 IonicContact OE1-CZ 3.17Å; E62-R74 IonicContact OE1-NE 2.67Å; E62-R74 PolarHBondContact OE1-NE 2.75Å; E62-R74 IonicContact OE1-NH2 2.7Å; P67-R74 HydrophobicContact CB-CB 3.97Å; D68-R74 PolarHBondContact O-N 3.15Å; L69-R74 HydrophobicContact CD2-CB 4.42Å; L69-R74 HydrophobicContact CD2-CG 4.08Å; L69-R74 HydrophobicContact CG-CB 4.41Å; L69-R74 HydrophobicContact CG-CG 4.2Å; G72-R74 VanDerWaalsContact C-N 3.29Å |
| 75 | A | 96.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | V60 V61 F77 W88 | V60-A75 WeakPolarHBondContact CA-O 3.12Å; V61-A75 HydrophobicContact CG2-CB 3.75Å; V61-A75 PolarHBondContact N-O 3.29Å; V61-A75 PolarHBondContact O-N 2.81Å; A75-F77 HydrophobicContact CB-CD1 4.42Å; A75-W88 HydrophobicContact CB-CB 4.24Å; A75-W88 HydrophobicContact CB-CD2 4.44Å; A75-W88 HydrophobicContact CB-CG 3.78Å |
| 76 | V | 95.3 | Very high | 84.5 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.3 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | I58 F59 V60 L69 S86 | I58-V76 HydrophobicContact CG2-CG1 3.48Å; I58-V76 VanDerWaalsContact CG2-CG1 3.48Å; F59-V76 VanDerWaalsContact O-CA 3.31Å; F59-V76 WeakPolarHBondContact O-CA 3.13Å; V60-V76 HydrophobicContact CG1-CG2 4.15Å; V60-V76 HydrophobicContact CG2-CG1 4.42Å; V60-V76 HydrophobicContact CG2-CG2 4.09Å; L69-V76 HydrophobicContact CD2-CG2 4.02Å; V76-S86 WeakPolarHBondContact O-CB 3.34Å |
| 77 | F | 94.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 1% | 0.013 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 150.8 | -173.6 | 53.5 | -76.4 | 0 | 0 | 0 | 111.3 | I58 F59 V61 A75 W88 A90 L104 | I58-F77 CarbonylContact C-O 3.56Å; I58-F77 WeakPolarHBondContact CA-O 3.17Å; F59-F77 HydrophobicContact CB-CD1 4.19Å; F59-F77 HydrophobicContact CB-CD2 3.95Å; F59-F77 HydrophobicContact CB-CE1 3.83Å; F59-F77 HydrophobicContact CB-CE2 3.59Å; F59-F77 HydrophobicContact CB-CG 4.23Å; F59-F77 HydrophobicContact CB-CZ 3.52Å; F59-F77 HydrophobicContact CD2-CD2 4.15Å; F59-F77 HydrophobicContact CD2-CE2 4.03Å; F59-F77 HydrophobicContact CG-CD2 4.37Å; F59-F77 AromaticContact CG-CE2 3.92Å; F59-F77 HydrophobicContact CG-CE2 3.92Å; F59-F77 HydrophobicContact CG-CZ 4.22Å; F59-F77 PolarHBondContact N-O 2.7Å; F59-F77 PolarHBondContact O-N 2.87Å; V61-F77 HydrophobicContact CG1-CE1 4.02Å; V61-F77 HydrophobicContact CG1-CZ 4.14Å; V61-F77 HydrophobicContact CG2-CE1 3.95Å; A75-F77 HydrophobicContact CB-CD1 4.42Å; F77-W88 VanDerWaalsContact CB-O 3.3Å; F77-W88 WeakPolarHBondContact CB-O 3.33Å; F77-W88 HydrophobicContact CD1-CB 3.48Å; F77-W88 VanDerWaalsContact CD1-CB 3.48Å; F77-W88 HydrophobicContact CD1-CG 4.31Å; F77-W88 HydrophobicContact CD2-CB 4.31Å; F77-W88 HydrophobicContact CE1-CB 3.6Å; F77-W88 HydrophobicContact CE1-CD2 4.22Å; F77-W88 HydrophobicContact CE1-CE3 4.03Å; F77-W88 HydrophobicContact CE1-CG 4.09Å; F77-W88 HydrophobicContact CE2-CB 4.37Å; F77-W88 HydrophobicContact CG-CB 3.88Å; F77-W88 HydrophobicContact CZ-CB 4.06Å; F77-W88 AromaticContact CZ-CE3 3.9Å; F77-W88 HydrophobicContact CZ-CE3 3.9Å; F77-A90 HydrophobicContact CD2-CB 3.74Å; F77-A90 HydrophobicContact CE2-CB 3.82Å; F77-L104 HydrophobicContact CE2-CD2 4.27Å; F77-L104 HydrophobicContact CE2-CG 4.18Å; F77-L104 HydrophobicContact CZ-CD2 4.16Å |
| 78 | S | 91.7 | Very high | 84 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.3 | -170.2 | 155.1 | 0 | 0 | 0 | 0 | 110.9 | N56 I57 A80 | N56-S78 PolarHBondContact OD1-OG 2.99Å; I57-S78 WeakPolarHBondContact O-CA 3.37Å; S78-A80 PolarHBondContact O-N 2.97Å; S78-A80 PolarHBondContact OG-N 3.18Å |
| 79 | L | 88.3 | Confident | 83.9 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.089 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.3 | 172.5 | -168.6 | 63.5 | 0 | 0 | 0 | 112.9 | F50 I57 F59 A90 L92 V102 | F50-L79 HydrophobicContact CD1-CD2 4.31Å; F50-L79 HydrophobicContact CE1-CD2 3.67Å; F50-L79 HydrophobicContact CE2-CD2 4.32Å; F50-L79 HydrophobicContact CZ-CD2 3.7Å; I57-L79 HydrophobicContact CB-CB 4.27Å; I57-L79 HydrophobicContact CB-CD2 4.4Å; I57-L79 HydrophobicContact CD1-CD2 4.18Å; I57-L79 PolarHBondContact O-N 2.92Å; F59-L79 HydrophobicContact CE2-CB 4.21Å; F59-L79 HydrophobicContact CE2-CD1 4.43Å; L79-A90 HydrophobicContact CD1-CB 4.3Å; L79-L92 HydrophobicContact CD1-CB 4.37Å; L79-V102 HydrophobicContact CD1-CB 4.18Å; L79-V102 HydrophobicContact CD1-CG1 3.73Å; L79-V102 HydrophobicContact CD2-CG1 3.85Å; L79-V102 HydrophobicContact CG-CG1 4.48Å |
| 80 | A | 67.8 | Low | 83.9 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -4.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S78 | S78-A80 PolarHBondContact O-N 2.97Å; S78-A80 PolarHBondContact OG-N 3.18Å |
| 81 | R | 60.5 | Low | 83.9 | Confident | 179 Ų | 179 | 64.5 Ų | 64.5 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | trans | -128.5 | 101.9 | -172.3 | -70.7 | -172.5 | 173.3 | -170.1 | -0.6 | 112.8 | H83 S84 | R81-H83 PolarHBondContact O-N 3.42Å; R81-S84 PolarHBondContact O-N 3.04Å | ||
| 82 | H | 53 | Low | 83.9 | Confident | 175 Ų | 175 | 63.5 Ų | 63.5 | 81% | 0.81 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -2.1 | 165.8 | -68.8 | -71.2 | 0 | 0 | 0 | 114.2 | ||
| 83 | H | 50.9 | Low | 83.9 | Confident | 180 Ų | 180 | 65.9 Ų | 65.9 | 83% | 0.833 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 25.6 | -179 | -59 | -59.1 | 0 | 0 | 0 | 113.5 | R81 | R81-H83 PolarHBondContact O-N 3.42Š|
| 84 | S | 57.3 | Low | 83.7 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | trans | -67.2 | 136.6 | 168.3 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | R81 S86 | R81-S84 PolarHBondContact O-N 3.04Å; S84-S86 PolarHBondContact O-N 2.83Å; S84-S86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | P | 71.4 | Confident | 83.5 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 88% | 0.877 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69.9 | -4.4 | 174.8 | 30.3 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 86 | S | 83.3 | Confident | 83.2 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | trans | -68.6 | 134.1 | 177.2 | 169 | 0 | 0 | 0 | 0 | 111.1 | V76 S84 W88 | V76-S86 WeakPolarHBondContact O-CB 3.34Å; S84-S86 PolarHBondContact O-N 2.83Å; S84-S86 VanDerWaalsContact O-N 3.16Å; S86-W88 PolarHBondContact O-N 3.29Å; S86-W88 WeakPolarHBondContact OG-CB 3.5Å; S86-W88 PolarHBondContact OG-N 2.92Å; S86-W88 VanDerWaalsContact OG-N 3.08Å; S86-W88 PolarHBondContact OG-O 2.81Å | ||
| 87 | P | 89.4 | Confident | 82.9 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -73.6 | -15.6 | 172.6 | 32.9 | -36.5 | 0 | 0 | 0 | 112.4 | P107 | P87-P107 HydrophobicContact CB-CB 3.93Å; P87-P107 HydrophobicContact CB-CG 3.89Å; P87-P107 HydrophobicContact CG-CG 4.03Å |
| 88 | W | 95.2 | Very high | 82.8 | Confident | 6 Ų | 6 | 76 Ų | 76 | 2% | 0.023 | 42% | 0.424 | C | S | . | . | trans | -80 | 137 | 166.1 | -70.4 | 71.3 | 0 | 0 | 0 | 110.3 | V61 A75 F77 S86 C105 A106 P107 A110 Y115 F136 L138 | V61-W88 HydrophobicContact CB-CH2 4.46Å; V61-W88 HydrophobicContact CB-CZ3 4.47Å; V61-W88 HydrophobicContact CG1-CE3 4.4Å; V61-W88 HydrophobicContact CG1-CZ3 4.13Å; V61-W88 HydrophobicContact CG2-CD2 3.82Å; V61-W88 HydrophobicContact CG2-CE3 3.96Å; V61-W88 HydrophobicContact CG2-CG 4.42Å; V61-W88 HydrophobicContact CG2-CH2 4.01Å; V61-W88 HydrophobicContact CG2-CZ2 3.88Å; V61-W88 HydrophobicContact CG2-CZ3 4.04Å; A75-W88 HydrophobicContact CB-CB 4.24Å; A75-W88 HydrophobicContact CB-CD2 4.44Å; A75-W88 HydrophobicContact CB-CG 3.78Å; F77-W88 VanDerWaalsContact CB-O 3.3Å; F77-W88 WeakPolarHBondContact CB-O 3.33Å; F77-W88 HydrophobicContact CD1-CB 3.48Å; F77-W88 VanDerWaalsContact CD1-CB 3.48Å; F77-W88 HydrophobicContact CD1-CG 4.31Å; F77-W88 HydrophobicContact CD2-CB 4.31Å; F77-W88 HydrophobicContact CE1-CB 3.6Å; F77-W88 HydrophobicContact CE1-CD2 4.22Å; F77-W88 HydrophobicContact CE1-CE3 4.03Å; F77-W88 HydrophobicContact CE1-CG 4.09Å; F77-W88 HydrophobicContact CE2-CB 4.37Å; F77-W88 HydrophobicContact CG-CB 3.88Å; F77-W88 HydrophobicContact CZ-CB 4.06Å; F77-W88 AromaticContact CZ-CE3 3.9Å; F77-W88 HydrophobicContact CZ-CE3 3.9Å; S86-W88 PolarHBondContact O-N 3.29Å; S86-W88 WeakPolarHBondContact OG-CB 3.5Å; S86-W88 PolarHBondContact OG-N 2.92Å; S86-W88 VanDerWaalsContact OG-N 3.08Å; S86-W88 PolarHBondContact OG-O 2.81Å; W88-C105 WeakPolarHBondContact CA-O 3.43Å; W88-A106 HydrophobicContact CD2-CB 4.02Å; W88-A106 HydrophobicContact CE3-CB 3.82Å; W88-A106 HydrophobicContact CH2-CB 3.36Å; W88-A106 HydrophobicContact CZ2-CB 3.56Å; W88-A106 HydrophobicContact CZ3-CB 3.49Å; W88-A106 VanDerWaalsContact CZ3-CB 3.49Å; W88-P107 VanDerWaalsContact CD1-CD 3.43Å; W88-A110 HydrophobicContact CZ2-CB 4.15Å; W88-Y115 HydrophobicContact CH2-CD1 4.41Å; W88-Y115 HydrophobicContact CH2-CE1 4.2Å; W88-Y115 HydrophobicContact CZ2-CD1 4.47Å; W88-Y115 AromaticContact CZ2-CE1 3.85Å; W88-Y115 HydrophobicContact CZ2-CE1 3.85Å; W88-F136 HydrophobicContact CH2-CE2 4.27Å; W88-F136 AromaticContact CH2-CZ 3.89Å; W88-F136 HydrophobicContact CH2-CZ 3.89Å; W88-F136 HydrophobicContact CZ3-CZ 4.09Å; W88-L138 HydrophobicContact CH2-CD2 4.01Å; W88-L138 HydrophobicContact CZ2-CD2 4.11Å | ||
| 89 | I | 94.6 | Very high | 83 | Confident | 89 Ų | 89 | 77 Ų | 77 | 46% | 0.456 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.1 | -177.2 | 55.8 | 167.5 | 0 | 0 | 0 | 111.1 | W91 L104 C105 | I89-W91 HydrophobicContact CD1-CE3 4.12Å; I89-W91 HydrophobicContact CD1-CH2 4.46Å; I89-W91 HydrophobicContact CD1-CZ3 3.54Å; I89-W91 HydrophobicContact CG1-CE3 4.32Å; I89-W91 HydrophobicContact CG1-CZ3 3.8Å; I89-L104 WeakPolarHBondContact O-CA 3.36Å; I89-C105 HydrophobicContact CD1-CB 4.14Å; I89-C105 HydrophobicContact CG1-CB 3.75Å; I89-C105 PolarHBondContact N-O 2.92Å; I89-C105 VanDerWaalsContact N-O 3.13Å; I89-C105 PolarHBondContact O-N 2.9Å |
| 90 | A | 94.7 | Very high | 83.3 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F59 F77 L79 S103 | F59-A90 HydrophobicContact CD2-CB 3.7Å; F59-A90 HydrophobicContact CE2-CB 3.61Å; F77-A90 HydrophobicContact CD2-CB 3.74Å; F77-A90 HydrophobicContact CE2-CB 3.82Å; L79-A90 HydrophobicContact CD1-CB 4.3Å; A90-S103 CarbonylContact C-O 3.58Å; A90-S103 WeakPolarHBondContact CA-O 3.46Å |
| 91 | W | 93.9 | Very high | 84.7 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 158.9 | 172.2 | 63 | 92.4 | 0 | 0 | 0 | 111.5 | A38 I89 E93 V102 S103 C105 | A38-W91 HydrophobicContact CB-CH2 3.46Å; A38-W91 VanDerWaalsContact CB-CH2 3.46Å; A38-W91 HydrophobicContact CB-CZ2 3.73Å; I89-W91 HydrophobicContact CD1-CE3 4.12Å; I89-W91 HydrophobicContact CD1-CH2 4.46Å; I89-W91 HydrophobicContact CD1-CZ3 3.54Å; I89-W91 HydrophobicContact CG1-CE3 4.32Å; I89-W91 HydrophobicContact CG1-CZ3 3.8Å; W91-E93 PolarHBondContact NE1-OE1 2.97Å; W91-V102 WeakPolarHBondContact O-CA 3.49Å; W91-S103 VanDerWaalsContact CZ2-CB 3.42Å; W91-S103 PolarHBondContact N-O 3.3Å; W91-S103 PolarHBondContact O-N 2.8Å; W91-C105 HydrophobicContact CH2-CB 4.01Å; W91-C105 HydrophobicContact CZ3-CB 3.87Å |
| 92 | L | 94.2 | Very high | 86.4 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.9 | 179.6 | -179.9 | 66.6 | 0 | 0 | 0 | 109.6 | P52 L79 N95 T100 | P52-L92 HydrophobicContact CG-CD2 4.49Å; L79-L92 HydrophobicContact CD1-CB 4.37Å; L92-N95 HydrophobicContact CD1-CB 4.13Å; L92-N95 HydrophobicContact CD2-CB 4.14Å; L92-T100 HydrophobicContact CD1-CG2 3.15Å |
| 93 | E | 94.4 | Very high | 88.5 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -57.1 | 174.5 | -68.9 | -71.4 | 177.4 | 0 | 0 | 110.5 | W91 E101 S103 | W91-E93 PolarHBondContact NE1-OE1 2.97Å; E93-E101 HydrophobicContact CB-CB 4.23Å; E93-E101 HydrophobicContact CB-CG 4.15Å; E93-E101 PolarHBondContact N-O 2.75Å; E93-S103 VanDerWaalsContact CD-OG 3.27Å; E93-S103 WeakPolarHBondContact CG-OG 3.42Å; E93-S103 WeakPolarHBondContact OE1-CB 3.41Å; E93-S103 PolarHBondContact OE1-OG 3.14Å |
| 94 | T | 93.6 | Very high | 90.8 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.1 | 178.2 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | T100 E101 | T94-T100 WeakPolarHBondContact O-CA 3.36Å; T94-E101 PolarHBondContact N-O 3.01Å; T94-E101 PolarHBondContact O-N 2.83Å; T94-E101 WeakPolarHBondContact OG1-CB 3.34Å; T94-E101 PolarHBondContact OG1-OE2 3.17Å |
| 95 | N | 93.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.9 | 177.7 | -161.1 | 30 | 0 | 0 | 0 | 110.1 | F50 L92 T100 | F50-N95 PolarHBondContact O-ND2 3.22Å; F50-N95 PolarHBondContact O-OD1 3.47Å; L92-N95 HydrophobicContact CD1-CB 4.13Å; L92-N95 HydrophobicContact CD2-CB 4.14Å; N95-T100 PolarHBondContact OD1-OG1 2.94Å |
| 96 | G | 90.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | -106.3 | 179.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T98 S99 | G96-T98 VanDerWaalsContact C-N 3.29Å; G96-T98 PolarHBondContact O-N 2.82Å; G96-S99 VanDerWaalsContact CA-O 3.29Å; G96-S99 WeakPolarHBondContact CA-O 3.06Å; G96-S99 PolarHBondContact N-O 2.75Å | ||
| 97 | A | 89.3 | Confident | 94.6 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.9 | -29.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G49 | G49-A97 VanDerWaalsContact CA-O 3.22Å; G49-A97 WeakPolarHBondContact CA-O 2.86Å; G49-A97 PolarHBondContact N-O 2.84Å |
| 98 | T | 91.1 | Very high | 95 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -137.8 | 2.9 | -176.7 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | F45 G96 | F45-T98 PolarHBondContact N-O 2.94Å; G96-T98 VanDerWaalsContact C-N 3.29Å; G96-T98 PolarHBondContact O-N 2.82Å |
| 99 | S | 95.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150.9 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | L43 G96 | L43-S99 CarbonylContact O-C 3.49Å; L43-S99 WeakPolarHBondContact O-CA 3.18Å; G96-S99 VanDerWaalsContact CA-O 3.29Å; G96-S99 WeakPolarHBondContact CA-O 3.06Å; G96-S99 PolarHBondContact N-O 2.75Å |
| 100 | T | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 126.1 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | T42 L43 F45 F50 L92 T94 N95 V102 | T42-T100 WeakPolarHBondContact CA-O 3.33Å; L43-T100 PolarHBondContact N-O 3.44Å; L43-T100 PolarHBondContact O-N 2.87Å; F45-T100 WeakPolarHBondContact CE2-OG1 3.34Å; F50-T100 HydrophobicContact CB-CG2 4.46Å; F50-T100 VanDerWaalsContact CB-OG1 3.28Å; F50-T100 WeakPolarHBondContact CB-OG1 3.43Å; F50-T100 HydrophobicContact CD1-CG2 4.26Å; L92-T100 HydrophobicContact CD1-CG2 3.15Å; T94-T100 WeakPolarHBondContact O-CA 3.36Å; N95-T100 PolarHBondContact OD1-OG1 2.94Å; T100-V102 HydrophobicContact CG2-CG1 3.97Å |
| 101 | E | 96.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.8 | 170.5 | -168.6 | 177.6 | -162.7 | 0 | 0 | 109.2 | Q13 R16 L41 E93 T94 | Q13-E101 PolarHBondContact NE2-OE1 3.25Å; Q13-E101 PolarHBondContact OE1-OE1 2.94Å; R16-E101 IonicContact NH1-OE1 3.42Å; R16-E101 PolarHBondContact NH1-OE1 2.9Å; L41-E101 WeakPolarHBondContact O-CA 3.35Å; E93-E101 HydrophobicContact CB-CB 4.23Å; E93-E101 HydrophobicContact CB-CG 4.15Å; E93-E101 PolarHBondContact N-O 2.75Å; T94-E101 PolarHBondContact N-O 3.01Å; T94-E101 PolarHBondContact O-N 2.83Å; T94-E101 WeakPolarHBondContact OG1-CB 3.34Å; T94-E101 PolarHBondContact OG1-OE2 3.17Å |
| 102 | V | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.7 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | N40 L41 F59 L79 W91 T100 L104 | N40-V102 CarbonylContact C-O 3.53Å; N40-V102 WeakPolarHBondContact CA-O 3.36Å; L41-V102 HydrophobicContact CD1-CG2 3.39Å; L41-V102 HydrophobicContact CD2-CG2 4.4Å; L41-V102 HydrophobicContact CG-CG2 3.57Å; L41-V102 PolarHBondContact N-O 2.8Å; L41-V102 PolarHBondContact O-N 2.89Å; F59-V102 HydrophobicContact CE1-CG2 4.34Å; F59-V102 HydrophobicContact CZ-CB 4.45Å; F59-V102 HydrophobicContact CZ-CG2 3.9Å; L79-V102 HydrophobicContact CD1-CB 4.18Å; L79-V102 HydrophobicContact CD1-CG1 3.73Å; L79-V102 HydrophobicContact CD2-CG1 3.85Å; L79-V102 HydrophobicContact CG-CG1 4.48Å; W91-V102 WeakPolarHBondContact O-CA 3.49Å; T100-V102 HydrophobicContact CG2-CG1 3.97Å; V102-L104 HydrophobicContact CB-CD1 4.42Å; V102-L104 HydrophobicContact CG2-CD1 3.69Å |
| 103 | S | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.8 | 171.2 | -77.6 | 0 | 0 | 0 | 0 | 109.6 | F39 N40 A90 W91 E93 | F39-S103 WeakPolarHBondContact O-CA 3.24Å; N40-S103 PolarHBondContact ND2-OG 3.04Å; A90-S103 CarbonylContact C-O 3.58Å; A90-S103 WeakPolarHBondContact CA-O 3.46Å; W91-S103 VanDerWaalsContact CZ2-CB 3.42Å; W91-S103 PolarHBondContact N-O 3.3Å; W91-S103 PolarHBondContact O-N 2.8Å; E93-S103 VanDerWaalsContact CD-OG 3.27Å; E93-S103 WeakPolarHBondContact CG-OG 3.42Å; E93-S103 WeakPolarHBondContact OE1-CB 3.41Å; E93-S103 PolarHBondContact OE1-OG 3.14Å |
| 104 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.8 | 175.9 | -71.7 | 70.2 | 0 | 0 | 0 | 108.3 | A38 F39 L41 F59 F77 I89 V102 L117 | A38-L104 CarbonylContact C-O 3.47Å; A38-L104 VanDerWaalsContact CA-O 3.26Å; A38-L104 WeakPolarHBondContact CA-O 3.37Å; F39-L104 HydrophobicContact CD1-CB 4.45Å; F39-L104 WeakPolarHBondContact CD1-O 3.35Å; F39-L104 HydrophobicContact CE1-CB 3.92Å; F39-L104 HydrophobicContact CE2-CB 4.05Å; F39-L104 HydrophobicContact CE2-CD2 4.23Å; F39-L104 HydrophobicContact CZ-CB 3.71Å; F39-L104 HydrophobicContact CZ-CD2 4.06Å; F39-L104 HydrophobicContact CZ-CG 4.49Å; F39-L104 PolarHBondContact N-O 3.14Å; F39-L104 PolarHBondContact O-N 2.86Å; L41-L104 HydrophobicContact CD2-CD1 3.55Å; L41-L104 HydrophobicContact CD2-CD2 3.98Å; L41-L104 HydrophobicContact CD2-CG 4.45Å; L41-L104 HydrophobicContact CG-CD1 3.91Å; F59-L104 HydrophobicContact CD1-CD2 3.89Å; F59-L104 HydrophobicContact CD1-CG 4.48Å; F59-L104 HydrophobicContact CE1-CD1 4.16Å; F59-L104 HydrophobicContact CE1-CD2 4.22Å; F59-L104 HydrophobicContact CE1-CG 4.5Å; F59-L104 HydrophobicContact CG-CD2 4.37Å; F59-L104 HydrophobicContact CZ-CD1 4.34Å; F77-L104 HydrophobicContact CE2-CD2 4.27Å; F77-L104 HydrophobicContact CE2-CG 4.18Å; F77-L104 HydrophobicContact CZ-CD2 4.16Å; I89-L104 WeakPolarHBondContact O-CA 3.36Å; V102-L104 HydrophobicContact CB-CD1 4.42Å; V102-L104 HydrophobicContact CG2-CD1 3.69Å; L104-L117 HydrophobicContact CD2-CD1 3.93Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å |
| 105 | C | 97.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 29 Ų | 29 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.7 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | A38 W88 I89 W91 | A38-C105 HydrophobicContact CB-CB 4.27Å; W88-C105 WeakPolarHBondContact CA-O 3.43Å; I89-C105 HydrophobicContact CD1-CB 4.14Å; I89-C105 HydrophobicContact CG1-CB 3.75Å; I89-C105 PolarHBondContact N-O 2.92Å; I89-C105 VanDerWaalsContact N-O 3.13Å; I89-C105 PolarHBondContact O-N 2.9Å; W91-C105 HydrophobicContact CH2-CB 4.01Å; W91-C105 HydrophobicContact CZ3-CB 3.87Å |
| 106 | A | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | trans | -77.4 | 144.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R35 G36 W88 A110 L138 | R35-A106 HydrophobicContact CB-CB 4.49Å; G36-A106 WeakPolarHBondContact CA-O 3.33Å; G36-A106 PolarHBondContact N-O 3.39Å; W88-A106 HydrophobicContact CD2-CB 4.02Å; W88-A106 HydrophobicContact CE3-CB 3.82Å; W88-A106 HydrophobicContact CH2-CB 3.36Å; W88-A106 HydrophobicContact CZ2-CB 3.56Å; W88-A106 HydrophobicContact CZ3-CB 3.49Å; W88-A106 VanDerWaalsContact CZ3-CB 3.49Å; A106-A110 HydrophobicContact CB-CB 4.11Å; A106-L138 HydrophobicContact CB-CD1 4.14Å; A106-L138 HydrophobicContact CB-CD2 3.77Å | ||
| 107 | P | 97.7 | Very high | 97 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | trans | -63.6 | 152.5 | 174 | 28.3 | -35.2 | 0 | 0 | 0 | 111.2 | P87 W88 T109 A110 | P87-P107 HydrophobicContact CB-CB 3.93Å; P87-P107 HydrophobicContact CB-CG 3.89Å; P87-P107 HydrophobicContact CG-CG 4.03Å; W88-P107 VanDerWaalsContact CD1-CD 3.43Å; P107-T109 PolarHBondContact O-N 2.87Å; P107-A110 HydrophobicContact CG-CB 4.05Å; P107-A110 VanDerWaalsContact O-CB 3.31Å; P107-A110 WeakPolarHBondContact O-CB 3.3Å; P107-A110 PolarHBondContact O-N 2.95Å | ||
| 108 | P | 98.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 21% | 0.214 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -8.5 | 176.7 | -20.9 | 30.3 | 0 | 0 | 0 | 114.9 | R35 E146 D147 | R35-P108 WeakPolarHBondContact CD-O 3.44Å; R35-P108 PolarHBondContact NE-O 3.22Å; R35-P108 PolarHBondContact NH1-O 2.98Å; R35-P108 PolarHBondContact NH2-O 3.4Å; P108-E146 HydrophobicContact CB-CB 3.96Å; P108-E146 HydrophobicContact CG-CB 3.59Å; P108-D147 HydrophobicContact CB-CB 4.42Å |
| 109 | T | 97.6 | Very high | 97.7 | Very high | 95 Ų | 95 | 20.2 Ų | 20.2 | 58% | 0.583 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -0.1 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | P107 | P107-T109 PolarHBondContact O-N 2.87Š|
| 110 | A | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 144.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R35 W88 A106 P107 L138 | R35-A110 HydrophobicContact CB-CB 4.37Å; R35-A110 WeakPolarHBondContact CD-O 3.27Å; R35-A110 PolarHBondContact NH1-O 2.8Å; W88-A110 HydrophobicContact CZ2-CB 4.15Å; A106-A110 HydrophobicContact CB-CB 4.11Å; P107-A110 HydrophobicContact CG-CB 4.05Å; P107-A110 VanDerWaalsContact O-CB 3.31Å; P107-A110 WeakPolarHBondContact O-CB 3.3Å; P107-A110 PolarHBondContact O-N 2.95Å; A110-L138 HydrophobicContact CB-CD2 3.61Å |
| 111 | A | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 138.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T63 Y115 C212 R215 | T63-A111 HydrophobicContact CG2-CB 4.39Å; A111-Y115 VanDerWaalsContact O-CE2 3.24Å; A111-Y115 WeakPolarHBondContact O-CE2 3.41Å; A111-Y115 PolarHBondContact O-OH 2.87Å; A111-C212 VanDerWaalsContact CB-O 3.31Å; A111-C212 WeakPolarHBondContact CB-O 3.49Å; A111-R215 HydrophobicContact CB-CB 4.25Å |
| 112 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 144.3 | 173.4 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | L138 F140 R215 V221 | V112-L138 CarbonylContact C-O 3.59Å; V112-L138 VanDerWaalsContact CA-O 3.25Å; V112-L138 WeakPolarHBondContact CA-O 3.43Å; V112-L138 VanDerWaalsContact CB-O 3.31Å; V112-L138 WeakPolarHBondContact CB-O 3.46Å; V112-F140 HydrophobicContact CB-CD2 4.45Å; V112-F140 HydrophobicContact CB-CE2 4.28Å; V112-F140 HydrophobicContact CG1-CD1 4.14Å; V112-F140 HydrophobicContact CG1-CD2 3.65Å; V112-F140 HydrophobicContact CG1-CE1 4.17Å; V112-F140 HydrophobicContact CG1-CE2 3.69Å; V112-F140 HydrophobicContact CG1-CG 3.85Å; V112-F140 HydrophobicContact CG1-CZ 3.95Å; V112-F140 HydrophobicContact CG2-CD2 4.18Å; V112-F140 HydrophobicContact CG2-CE2 3.61Å; V112-F140 HydrophobicContact CG2-CZ 4.12Å; V112-R215 HydrophobicContact CG2-CB 4.3Å; V112-R215 PolarHBondContact N-O 2.75Å; V112-V221 HydrophobicContact CG2-CG2 4.43Å |
| 113 | G | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -170.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I137 L138 | G113-I137 WeakPolarHBondContact O-CA 3.48Å; G113-L138 PolarHBondContact N-O 2.99Å; G113-L138 PolarHBondContact O-N 2.76Å |
| 114 | R | 98.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 31.1 Ų | 31.1 | 34% | 0.336 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130.4 | 172.9 | -60.9 | -170.2 | 177.5 | 86 | -0.6 | 109.8 | T63 I137 D192 L195 | T63-R114 WeakPolarHBondContact CB-O 3.47Å; T63-R114 PolarHBondContact OG1-O 2.96Å; R114-I137 HydrophobicContact CG-CG1 4.18Å; R114-D192 IonicContact CZ-OD1 3.49Å; R114-D192 IonicContact NE-OD1 2.74Å; R114-D192 VanDerWaalsContact NH2-CA 3.28Å; R114-D192 PolarHBondContact NH2-O 3.07Å; R114-D192 IonicContact NH2-OD1 3.56Å; R114-D192 PolarHBondContact NH2-OD1 3.18Å; R114-L195 HydrophobicContact CG-CD1 3.81Å |
| 115 | Y | 98.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.6 | 177.4 | -82.9 | -97.3 | 0 | 0 | 0 | 111.1 | V61 E62 T63 W88 A111 E135 F136 L138 | V61-Y115 HydrophobicContact CB-CD1 4.06Å; V61-Y115 HydrophobicContact CG2-CD1 4.46Å; E62-Y115 CarbonylContact O-C 3.56Å; E62-Y115 VanDerWaalsContact O-CA 3.28Å; E62-Y115 WeakPolarHBondContact O-CA 3.34Å; T63-Y115 HydrophobicContact CG2-CD1 4.28Å; T63-Y115 HydrophobicContact CG2-CE1 3.56Å; T63-Y115 HydrophobicContact CG2-CE2 4Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.27Å; W88-Y115 HydrophobicContact CH2-CD1 4.41Å; W88-Y115 HydrophobicContact CH2-CE1 4.2Å; W88-Y115 HydrophobicContact CZ2-CD1 4.47Å; W88-Y115 AromaticContact CZ2-CE1 3.85Å; W88-Y115 HydrophobicContact CZ2-CE1 3.85Å; A111-Y115 VanDerWaalsContact O-CE2 3.24Å; A111-Y115 WeakPolarHBondContact O-CE2 3.41Å; A111-Y115 PolarHBondContact O-OH 2.87Å; Y115-E135 CarbonylContact O-C 3.55Å; Y115-E135 WeakPolarHBondContact O-CA 3.34Å; Y115-F136 VanDerWaalsContact CB-CE1 3.44Å; Y115-F136 HydrophobicContact CD1-CZ 4.2Å; Y115-F136 HydrophobicContact CD2-CE2 4.19Å; Y115-F136 HydrophobicContact CD2-CZ 4.38Å; Y115-F136 HydrophobicContact CG-CE1 4.29Å; Y115-F136 HydrophobicContact CG-CE2 4.01Å; Y115-F136 AromaticContact CG-CZ 3.75Å; Y115-F136 HydrophobicContact CG-CZ 3.75Å; Y115-F136 PolarHBondContact N-O 2.82Å; Y115-F136 PolarHBondContact O-N 2.86Å; Y115-L138 HydrophobicContact CD2-CB 3.78Å; Y115-L138 HydrophobicContact CE2-CB 3.72Å; Y115-L138 HydrophobicContact CE2-CD2 3.86Å; Y115-L138 HydrophobicContact CE2-CG 4.46Å |
| 116 | L | 98.6 | Very high | 92.3 | Very high | 37 Ų | 37 | 38 Ų | 38 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126 | 167 | -176.3 | 58.8 | 0 | 0 | 0 | 109.4 | V61 E62 K118 Q132 E135 | V61-L116 WeakPolarHBondContact CA-O 3.45Å; E62-L116 PolarHBondContact N-O 3.33Å; E62-L116 VanDerWaalsContact N-O 3.09Å; E62-L116 PolarHBondContact O-N 2.9Å; L116-K118 HydrophobicContact CG-CG 4.36Å; L116-Q132 HydrophobicContact CD1-CG 3.77Å; L116-E135 HydrophobicContact CD1-CG 3.99Å |
| 117 | L | 98.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 176.9 | -179.3 | 63.2 | 0 | 0 | 0 | 110.8 | L12 L41 F59 V61 L104 L133 G134 F136 | L12-L117 HydrophobicContact CD2-CD2 4.28Å; L41-L117 HydrophobicContact CD2-CD2 3.59Å; F59-L117 HydrophobicContact CD1-CD1 4.23Å; V61-L117 HydrophobicContact CG1-CD1 3.56Å; L104-L117 HydrophobicContact CD2-CD1 3.93Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å; L117-L133 HydrophobicContact CB-CB 4.47Å; L117-L133 HydrophobicContact CD2-CB 4.19Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CG-CB 4.11Å; L117-L133 HydrophobicContact CG-CD1 4.18Å; L117-L133 HydrophobicContact CG-CG 4.46Å; L117-L133 PolarHBondContact O-N 3.02Å; L117-G134 PolarHBondContact N-O 3.39Å; L117-G134 PolarHBondContact O-N 3.45Å; L117-F136 HydrophobicContact CB-CD1 4.23Å; L117-F136 HydrophobicContact CB-CE1 4.11Å |
| 118 | K | 97.8 | Very high | 90.3 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 160 | 175.9 | -58.6 | 168.8 | -177.5 | 165.1 | 0 | 110.2 | F59 V60 E62 L116 Y131 | F59-K118 WeakPolarHBondContact CA-O 3.47Å; V60-K118 HydrophobicContact CB-CB 4.25Å; V60-K118 PolarHBondContact N-O 3.08Å; V60-K118 PolarHBondContact O-N 2.64Å; E62-K118 IonicContact OE2-NZ 2.71Å; E62-K118 PolarHBondContact OE2-NZ 3.09Å; L116-K118 HydrophobicContact CG-CG 4.36Å; K118-Y131 CarbonylContact C-O 3.59Å; K118-Y131 VanDerWaalsContact CA-O 3.25Å; K118-Y131 WeakPolarHBondContact CA-O 3.39Å |
| 119 | I | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.5 | 167.2 | 57.1 | 173.4 | 0 | 0 | 0 | 111.5 | V7 L43 I57 I58 F59 I121 A130 Y131 L133 | V7-I119 HydrophobicContact CG2-CD1 3.83Å; L43-I119 HydrophobicContact CD1-CD1 4.14Å; L43-I119 HydrophobicContact CD2-CD1 4.24Å; I57-I119 HydrophobicContact CG2-CB 4.2Å; I57-I119 HydrophobicContact CG2-CD1 4.46Å; I57-I119 HydrophobicContact CG2-CG2 4.02Å; I58-I119 CarbonylContact O-C 3.57Å; I58-I119 VanDerWaalsContact O-CA 3.23Å; I58-I119 WeakPolarHBondContact O-CA 3.41Å; F59-I119 HydrophobicContact CD1-CG2 3.3Å; F59-I119 HydrophobicContact CE1-CG2 3.51Å; F59-I119 HydrophobicContact CG-CG2 4.07Å; F59-I119 HydrophobicContact CZ-CG2 4.4Å; I119-I121 HydrophobicContact CD1-CD1 4.1Å; I119-I121 HydrophobicContact CD1-CG1 4.22Å; I119-A130 CarbonylContact O-C 3.51Å; I119-A130 VanDerWaalsContact O-CA 3.32Å; I119-A130 WeakPolarHBondContact O-CA 3.31Å; I119-Y131 HydrophobicContact CD1-CD2 4.3Å; I119-Y131 HydrophobicContact CG1-CD2 4.14Å; I119-Y131 PolarHBondContact N-O 2.86Å; I119-Y131 PolarHBondContact O-N 2.83Å; I119-L133 HydrophobicContact CB-CD1 4.45Å; I119-L133 HydrophobicContact CD1-CD1 4.1Å; I119-L133 HydrophobicContact CD1-CD2 3.81Å; I119-L133 HydrophobicContact CD1-CG 4.34Å; I119-L133 HydrophobicContact CG1-CD1 4.1Å; I119-L133 HydrophobicContact CG1-CD2 3.75Å; I119-L133 HydrophobicContact CG1-CG 4.02Å; I119-L133 HydrophobicContact CG2-CD1 3.62Å; I119-L133 HydrophobicContact CG2-CG 4.23Å |
| 120 | H | 94.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.8 | 162.5 | -59.6 | -69.7 | 0 | 0 | 0 | 108.7 | I58 V60 V128 T129 A130 | I58-H120 HydrophobicContact CB-CB 4.24Å; I58-H120 PolarHBondContact N-O 2.94Å; I58-H120 PolarHBondContact O-N 2.62Å; V60-H120 VanDerWaalsContact CG2-CD2 3.47Å; V60-H120 WeakPolarHBondContact CG2-CD2 3.29Å; H120-V128 HydrophobicContact CB-CG1 4.25Å; H120-T129 CarbonylContact C-O 3.57Å; H120-T129 VanDerWaalsContact CA-O 3.28Å; H120-T129 WeakPolarHBondContact CA-O 3.27Å; H120-A130 WeakPolarHBondContact ND1-CB 3.33Å |
| 121 | I | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.6 | 177.1 | -56.6 | -174.7 | 0 | 0 | 0 | 108.2 | L5 V7 F45 I57 I119 V128 T129 Y131 | L5-I121 HydrophobicContact CB-CG2 3.96Å; L5-I121 HydrophobicContact CD2-CD1 4.34Å; L5-I121 HydrophobicContact CD2-CG2 4.03Å; L5-I121 HydrophobicContact CG-CD1 4.45Å; L5-I121 HydrophobicContact CG-CG2 4.37Å; V7-I121 HydrophobicContact CG2-CD1 3.52Å; F45-I121 HydrophobicContact CE1-CD1 4.33Å; I57-I121 HydrophobicContact CG1-CG1 4.35Å; I119-I121 HydrophobicContact CD1-CD1 4.1Å; I119-I121 HydrophobicContact CD1-CG1 4.22Å; I121-V128 WeakPolarHBondContact O-CA 3.39Å; I121-T129 PolarHBondContact N-O 2.89Å; I121-T129 PolarHBondContact O-N 2.8Å; I121-T129 VanDerWaalsContact O-N 3.07Å; I121-Y131 HydrophobicContact CD1-CD2 4.28Å; I121-Y131 HydrophobicContact CD1-CE2 3.93Å; I121-Y131 HydrophobicContact CG1-CE2 4.32Å |
| 122 | D | 88.6 | Confident | 89.4 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 109.3 | 172.8 | -177.9 | 12.5 | 0 | 0 | 0 | 108.7 | D55 N56 V128 | D55-D122 CarbonylContact C-O 3.54Å; D55-D122 WeakPolarHBondContact CA-O 3.46Å; N56-D122 HydrophobicContact CB-CB 4.34Å; N56-D122 PolarHBondContact N-O 2.96Å; N56-D122 PolarHBondContact O-N 2.87Å; D122-V128 HydrophobicContact CB-CG2 4.41Å |
| 123 | S | 84.8 | Confident | 89.2 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.2 | 178.9 | -71.9 | 0 | 0 | 0 | 0 | 109.5 | L5 D55 Q125 G126 | L5-S123 PolarHBondContact N-OG 2.74Å; D55-S123 WeakPolarHBondContact OD1-CB 3.33Å; D55-S123 PolarHBondContact OD1-OG 2.91Å; S123-Q125 PolarHBondContact O-N 3.26Å; S123-G126 PolarHBondContact O-N 2.89Å |
| 124 | F | 71.1 | Confident | 89.1 | Confident | 151 Ų | 151 | 55.2 Ų | 55.2 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -23.6 | -173.9 | -175.5 | -108.3 | 0 | 0 | 0 | 116.6 | L54 | L54-F124 HydrophobicContact CD2-CB 4.17Å; L54-F124 HydrophobicContact CD2-CD1 4.26Å; L54-F124 HydrophobicContact CD2-CG 4.18Å; L54-F124 WeakPolarHBondContact O-CB 3.18Å; L54-F124 PolarHBondContact O-N 2.86Å |
| 125 | Q | 66.8 | Low | 89.1 | Confident | 132 Ų | 132 | 56.9 Ų | 56.9 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | 15.6 | 178.2 | -68.8 | -179.9 | -10.6 | 0 | 0 | 113.7 | S123 | S123-Q125 PolarHBondContact O-N 3.26Š|
| 126 | G | 66.6 | Low | 89.1 | Confident | 31 Ų | 31 | 57 Ų | 57 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -114.3 | 162.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S123 | S123-G126 PolarHBondContact O-N 2.89Š|
| 127 | S | 73.8 | Confident | 89.1 | Confident | 100 Ų | 100 | 56 Ų | 56 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | trans | -67.7 | 142.9 | 165.2 | 54.4 | 0 | 0 | 0 | 0 | 110 | T129 | S127-T129 PolarHBondContact O-N 3.37Š| ||
| 128 | V | 81.3 | Confident | 89.1 | Confident | 92 Ų | 92 | 56 Ų | 56 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | trans | -57.4 | 122.9 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | H120 I121 D122 | H120-V128 HydrophobicContact CB-CG1 4.25Å; I121-V128 WeakPolarHBondContact O-CA 3.39Å; D122-V128 HydrophobicContact CB-CG2 4.41Å | ||
| 129 | T | 88.8 | Confident | 89.1 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.233 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147.2 | 175.7 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | H120 I121 S127 Y131 | H120-T129 CarbonylContact C-O 3.57Å; H120-T129 VanDerWaalsContact CA-O 3.28Å; H120-T129 WeakPolarHBondContact CA-O 3.27Å; I121-T129 PolarHBondContact N-O 2.89Å; I121-T129 PolarHBondContact O-N 2.8Å; I121-T129 VanDerWaalsContact O-N 3.07Å; S127-T129 PolarHBondContact O-N 3.37Å; T129-Y131 VanDerWaalsContact OG1-CE2 3.28Å; T129-Y131 WeakPolarHBondContact OG1-CE2 3.32Å; T129-Y131 PolarHBondContact OG1-OH 3.14Å |
| 130 | A | 92.4 | Very high | 89.3 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 55% | 0.554 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | I119 H120 | I119-A130 CarbonylContact O-C 3.51Å; I119-A130 VanDerWaalsContact O-CA 3.32Å; I119-A130 WeakPolarHBondContact O-CA 3.31Å; H120-A130 WeakPolarHBondContact ND1-CB 3.33Å |
| 131 | Y | 95.3 | Very high | 89.5 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.2 | 179.3 | -53.9 | -90.8 | 0 | 0 | 0 | 109.9 | E6 V7 K118 I119 I121 T129 | E6-Y131 WeakPolarHBondContact CG-OH 3.42Å; V7-Y131 HydrophobicContact CB-CD1 4.04Å; V7-Y131 HydrophobicContact CB-CD2 4.19Å; V7-Y131 HydrophobicContact CB-CE1 4.05Å; V7-Y131 HydrophobicContact CB-CE2 4.21Å; V7-Y131 HydrophobicContact CB-CG 4.12Å; V7-Y131 HydrophobicContact CG2-CD2 3.77Å; V7-Y131 HydrophobicContact CG2-CE2 3.8Å; V7-Y131 HydrophobicContact CG2-CG 4.15Å; K118-Y131 CarbonylContact C-O 3.59Å; K118-Y131 VanDerWaalsContact CA-O 3.25Å; K118-Y131 WeakPolarHBondContact CA-O 3.39Å; I119-Y131 HydrophobicContact CD1-CD2 4.3Å; I119-Y131 HydrophobicContact CG1-CD2 4.14Å; I119-Y131 PolarHBondContact N-O 2.86Å; I119-Y131 PolarHBondContact O-N 2.83Å; I121-Y131 HydrophobicContact CD1-CD2 4.28Å; I121-Y131 HydrophobicContact CD1-CE2 3.93Å; I121-Y131 HydrophobicContact CG1-CE2 4.32Å; T129-Y131 VanDerWaalsContact OG1-CE2 3.28Å; T129-Y131 WeakPolarHBondContact OG1-CE2 3.32Å; T129-Y131 PolarHBondContact OG1-OH 3.14Å |
| 132 | Q | 96.1 | Very high | 89.8 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 61% | 0.607 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.5 | 165.7 | 179.2 | 172.5 | -39.9 | 0 | 0 | 107.9 | L116 | L116-Q132 HydrophobicContact CD1-CG 3.77Å |
| 133 | L | 96.2 | Very high | 90.3 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -33 | -172.9 | -61.5 | -164.2 | 0 | 0 | 0 | 112.7 | T10 L43 L117 I119 | T10-L133 HydrophobicContact CG2-CB 4.22Å; T10-L133 HydrophobicContact CG2-CD1 4.26Å; T10-L133 HydrophobicContact CG2-CD2 4.48Å; T10-L133 WeakPolarHBondContact OG1-CD2 3.35Å; L43-L133 HydrophobicContact CD2-CD1 3.84Å; L43-L133 HydrophobicContact CD2-CD2 4.36Å; L117-L133 HydrophobicContact CB-CB 4.47Å; L117-L133 HydrophobicContact CD2-CB 4.19Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CG-CB 4.11Å; L117-L133 HydrophobicContact CG-CD1 4.18Å; L117-L133 HydrophobicContact CG-CG 4.46Å; L117-L133 PolarHBondContact O-N 3.02Å; I119-L133 HydrophobicContact CB-CD1 4.45Å; I119-L133 HydrophobicContact CD1-CD1 4.1Å; I119-L133 HydrophobicContact CD1-CD2 3.81Å; I119-L133 HydrophobicContact CD1-CG 4.34Å; I119-L133 HydrophobicContact CG1-CD1 4.1Å; I119-L133 HydrophobicContact CG1-CD2 3.75Å; I119-L133 HydrophobicContact CG1-CG 4.02Å; I119-L133 HydrophobicContact CG2-CD1 3.62Å; I119-L133 HydrophobicContact CG2-CG 4.23Å |
| 134 | G | 96.1 | Very high | 91 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.1 | -168.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L117 | L117-G134 PolarHBondContact N-O 3.39Å; L117-G134 PolarHBondContact O-N 3.45Å |
| 135 | E | 97.1 | Very high | 92.3 | Very high | 123 Ų | 123 | 45.3 Ų | 45.3 | 58% | 0.575 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.4 | 177.4 | -64.6 | -178.1 | 170.9 | 0 | 0 | 110.6 | Y115 L116 | Y115-E135 CarbonylContact O-C 3.55Å; Y115-E135 WeakPolarHBondContact O-CA 3.34Å; L116-E135 HydrophobicContact CD1-CG 3.99Å |
| 136 | F | 98.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.8 | 171.5 | 68.2 | -85.2 | 0 | 0 | 0 | 110.5 | L31 V33 F39 V61 W88 Y115 L117 L138 | L31-F136 HydrophobicContact CB-CB 3.91Å; L31-F136 HydrophobicContact CD2-CB 3.73Å; L31-F136 HydrophobicContact CD2-CG 4.35Å; L31-F136 HydrophobicContact CG-CB 3.81Å; L31-F136 VanDerWaalsContact O-CA 3.3Å; L31-F136 WeakPolarHBondContact O-CA 3.41Å; L31-F136 WeakPolarHBondContact O-CB 3.46Å; V33-F136 HydrophobicContact CG2-CD2 3.72Å; V33-F136 HydrophobicContact CG2-CE2 4.16Å; F39-F136 HydrophobicContact CZ-CE2 4.38Å; F39-F136 HydrophobicContact CZ-CZ 4.3Å; V61-F136 HydrophobicContact CG1-CE1 4.27Å; V61-F136 HydrophobicContact CG1-CZ 4.36Å; W88-F136 HydrophobicContact CH2-CE2 4.27Å; W88-F136 AromaticContact CH2-CZ 3.89Å; W88-F136 HydrophobicContact CH2-CZ 3.89Å; W88-F136 HydrophobicContact CZ3-CZ 4.09Å; Y115-F136 VanDerWaalsContact CB-CE1 3.44Å; Y115-F136 HydrophobicContact CD1-CZ 4.2Å; Y115-F136 HydrophobicContact CD2-CE2 4.19Å; Y115-F136 HydrophobicContact CD2-CZ 4.38Å; Y115-F136 HydrophobicContact CG-CE1 4.29Å; Y115-F136 HydrophobicContact CG-CE2 4.01Å; Y115-F136 AromaticContact CG-CZ 3.75Å; Y115-F136 HydrophobicContact CG-CZ 3.75Å; Y115-F136 PolarHBondContact N-O 2.82Å; Y115-F136 PolarHBondContact O-N 2.86Å; L117-F136 HydrophobicContact CB-CD1 4.23Å; L117-F136 HydrophobicContact CB-CE1 4.11Å; F136-L138 HydrophobicContact CE2-CB 4.19Å; F136-L138 HydrophobicContact CE2-CD1 4.37Å |
| 137 | I | 98.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.7 | 173 | -63.1 | 167.8 | 0 | 0 | 0 | 108.6 | L31 L32 V33 G113 R114 L139 I191 L195 | L31-I137 PolarHBondContact O-N 2.6Å; L32-I137 HydrophobicContact CD1-CD1 4.37Å; L32-I137 HydrophobicContact CG-CB 4.09Å; L32-I137 HydrophobicContact CG-CD1 4.26Å; V33-I137 PolarHBondContact N-O 2.83Å; G113-I137 WeakPolarHBondContact O-CA 3.48Å; R114-I137 HydrophobicContact CG-CG1 4.18Å; I137-L139 HydrophobicContact CG2-CD2 3.68Å; I137-L139 HydrophobicContact CG2-CG 4.16Å; I137-I191 HydrophobicContact CD1-CG1 4Å; I137-L195 HydrophobicContact CD1-CD1 3.9Å; I137-L195 HydrophobicContact CG1-CD1 4.12Å; I137-L195 HydrophobicContact CG2-CD1 4.04Å |
| 138 | L | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.5 | 173.9 | -165.2 | 66.3 | 0 | 0 | 0 | 110 | V33 R35 W88 A106 A110 V112 G113 Y115 F136 | V33-L138 HydrophobicContact CG2-CD1 3.81Å; V33-L138 CarbonylContact O-C 3.6Å; V33-L138 WeakPolarHBondContact O-CA 3.38Å; R35-L138 HydrophobicContact CB-CD1 4.09Å; R35-L138 HydrophobicContact CB-CD2 4.04Å; R35-L138 HydrophobicContact CB-CG 4.03Å; W88-L138 HydrophobicContact CH2-CD2 4.01Å; W88-L138 HydrophobicContact CZ2-CD2 4.11Å; A106-L138 HydrophobicContact CB-CD1 4.14Å; A106-L138 HydrophobicContact CB-CD2 3.77Å; A110-L138 HydrophobicContact CB-CD2 3.61Å; V112-L138 CarbonylContact C-O 3.59Å; V112-L138 VanDerWaalsContact CA-O 3.25Å; V112-L138 WeakPolarHBondContact CA-O 3.43Å; V112-L138 VanDerWaalsContact CB-O 3.31Å; V112-L138 WeakPolarHBondContact CB-O 3.46Å; G113-L138 PolarHBondContact N-O 2.99Å; G113-L138 PolarHBondContact O-N 2.76Å; Y115-L138 HydrophobicContact CD2-CB 3.78Å; Y115-L138 HydrophobicContact CE2-CB 3.72Å; Y115-L138 HydrophobicContact CE2-CD2 3.86Å; Y115-L138 HydrophobicContact CE2-CG 4.46Å; F136-L138 HydrophobicContact CE2-CB 4.19Å; F136-L138 HydrophobicContact CE2-CD1 4.37Å |
| 139 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 168.2 | -180 | -57.4 | -179.6 | 0 | 0 | 0 | 112.1 | T23 I26 V33 R34 R35 I137 I191 | T23-L139 HydrophobicContact CG2-CD1 4.13Å; I26-L139 HydrophobicContact CD1-CD1 4.23Å; V33-L139 PolarHBondContact O-N 2.68Å; R34-L139 WeakPolarHBondContact CA-O 3.48Å; R34-L139 HydrophobicContact CG-CB 4.34Å; R35-L139 PolarHBondContact N-O 2.94Å; I137-L139 HydrophobicContact CG2-CD2 3.68Å; I137-L139 HydrophobicContact CG2-CG 4.16Å; L139-I191 HydrophobicContact CD2-CD1 3.87Å |
| 140 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -63 | 150.2 | 167.8 | -73 | -77.1 | 0 | 0 | 0 | 110.9 | R34 R35 V112 P142 V149 P218 V221 L292 I294 | R34-F140 PolarHBondContact NH1-O 3.08Å; R35-F140 VanDerWaalsContact CZ-CE1 3.43Å; R35-F140 VanDerWaalsContact NH2-CE1 3.28Å; V112-F140 HydrophobicContact CB-CD2 4.45Å; V112-F140 HydrophobicContact CB-CE2 4.28Å; V112-F140 HydrophobicContact CG1-CD1 4.14Å; V112-F140 HydrophobicContact CG1-CD2 3.65Å; V112-F140 HydrophobicContact CG1-CE1 4.17Å; V112-F140 HydrophobicContact CG1-CE2 3.69Å; V112-F140 HydrophobicContact CG1-CG 3.85Å; V112-F140 HydrophobicContact CG1-CZ 3.95Å; V112-F140 HydrophobicContact CG2-CD2 4.18Å; V112-F140 HydrophobicContact CG2-CE2 3.61Å; V112-F140 HydrophobicContact CG2-CZ 4.12Å; F140-P142 WeakPolarHBondContact O-CD 3.4Å; F140-V149 HydrophobicContact CB-CG2 3.79Å; F140-V149 HydrophobicContact CD1-CG1 4.14Å; F140-V149 HydrophobicContact CD1-CG2 4.36Å; F140-V149 HydrophobicContact CG-CG2 4.46Å; F140-P218 HydrophobicContact CD1-CB 4.41Å; F140-P218 HydrophobicContact CE1-CB 3.85Å; F140-P218 HydrophobicContact CE1-CG 4.35Å; F140-P218 HydrophobicContact CZ-CB 4.12Å; F140-V221 HydrophobicContact CE2-CB 4.17Å; F140-V221 HydrophobicContact CE2-CG1 4.13Å; F140-V221 HydrophobicContact CE2-CG2 4.04Å; F140-V221 HydrophobicContact CZ-CB 4.22Å; F140-V221 HydrophobicContact CZ-CG2 3.9Å; F140-L292 WeakPolarHBondContact CB-O 3.24Å; F140-L292 HydrophobicContact CD2-CB 4.45Å; F140-L292 WeakPolarHBondContact CD2-O 3.1Å; F140-L292 PolarHBondContact N-O 2.9Å; F140-I294 HydrophobicContact CB-CG1 4.41Å; F140-I294 HydrophobicContact CD2-CD1 3.94Å; F140-I294 HydrophobicContact CD2-CG1 3.51Å; F140-I294 HydrophobicContact CE2-CD1 3.77Å; F140-I294 HydrophobicContact CE2-CG1 3.91Å; F140-I294 HydrophobicContact CG-CG1 3.96Å; F140-I294 HydrophobicContact CZ-CD1 4.37Å | ||
| 141 | N | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -121.6 | 92.7 | -174.7 | -161.7 | -12.3 | 0 | 0 | 0 | 113.7 | R34 R35 Q37 W143 C144 D147 | R34-N141 HydrophobicContact CB-CB 3.64Å; R35-N141 HydrophobicContact CG-CB 4.33Å; R35-N141 WeakPolarHBondContact O-CB 3.28Å; R35-N141 PolarHBondContact O-ND2 3.16Å; Q37-N141 WeakPolarHBondContact CB-ND2 3.49Å; Q37-N141 PolarHBondContact OE1-ND2 2.59Å; N141-W143 PolarHBondContact O-N 3.23Å; N141-W143 WeakPolarHBondContact OD1-CB 3.37Å; N141-W143 PolarHBondContact OD1-N 3.22Å; N141-C144 HydrophobicContact CB-CB 3.82Å; N141-C144 PolarHBondContact O-N 3.41Å; N141-C144 PolarHBondContact OD1-N 3.09Å; N141-D147 WeakPolarHBondContact CA-OD2 3.29Å; N141-D147 HydrophobicContact CB-CB 4.46Å; N141-D147 WeakPolarHBondContact CB-OD2 3.24Å; N141-D147 PolarHBondContact N-OD2 2.75Å; N141-D147 VanDerWaalsContact O-CB 3.25Å; N141-D147 WeakPolarHBondContact O-CB 3.42Å | ||
| 142 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -6.5 | 176.9 | 25 | -25.8 | 0 | 0 | 0 | 113.8 | F140 V149 Y150 L151 R157 V161 G293 P295 | F140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-V149 WeakPolarHBondContact CA-O 3.46Å; P142-V149 HydrophobicContact CB-CG2 4.34Å; P142-V149 WeakPolarHBondContact CB-O 3.33Å; P142-Y150 WeakPolarHBondContact O-CD2 3.26Å; P142-L151 PolarHBondContact O-N 2.9Å; P142-R157 HydrophobicContact CB-CG 4.45Å; P142-R157 VanDerWaalsContact O-CD 3.31Å; P142-R157 WeakPolarHBondContact O-CD 3.36Å; P142-V161 HydrophobicContact CB-CG2 4.49Å; P142-V161 HydrophobicContact CG-CG2 3.82Å; P142-G293 WeakPolarHBondContact CD-O 3.34Å; P142-P295 HydrophobicContact CB-CG 3.62Å; P142-P295 HydrophobicContact CG-CG 4.23Å |
| 143 | W | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 33 Ų | 33 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -11 | 173.2 | -69.9 | -97.6 | 0 | 0 | 0 | 113.7 | H22 N141 P145 E154 R157 V161 M162 | H22-W143 HydrophobicContact CB-CH2 3.9Å; H22-W143 HydrophobicContact CB-CZ2 4.16Å; H22-W143 HydrophobicContact CB-CZ3 4.1Å; H22-W143 AromaticContact CD2-CD2 3.49Å; H22-W143 VanDerWaalsContact CD2-CD2 3.49Å; H22-W143 AromaticContact CD2-CE2 3.48Å; H22-W143 VanDerWaalsContact CD2-CE2 3.48Å; H22-W143 AromaticContact CD2-CE3 3.85Å; H22-W143 AromaticContact CD2-CG 3.92Å; H22-W143 AromaticContact CD2-CZ2 3.89Å; H22-W143 AromaticContact CD2-NE1 3.8Å; H22-W143 AromaticContact CG-CE2 3.99Å; H22-W143 AromaticContact CG-CZ2 3.93Å; H22-W143 AromaticContact NE2-CD1 3.75Å; H22-W143 AromaticContact NE2-CE2 3.81Å; H22-W143 AromaticContact NE2-NE1 3.62Å; N141-W143 PolarHBondContact O-N 3.23Å; N141-W143 WeakPolarHBondContact OD1-CB 3.37Å; N141-W143 PolarHBondContact OD1-N 3.22Å; W143-P145 WeakPolarHBondContact O-CD 3.43Å; W143-E154 PolarHBondContact NE1-OE2 2.59Å; W143-R157 HydrophobicContact CH2-CB 4.37Å; W143-R157 HydrophobicContact CZ2-CB 3.8Å; W143-R157 VanDerWaalsContact NE1-NE 3.1Å; W143-V161 HydrophobicContact CH2-CB 4.38Å; W143-V161 HydrophobicContact CH2-CG1 4.24Å; W143-V161 HydrophobicContact CZ3-CG1 4.34Å; W143-M162 HydrophobicContact CH2-CG 4.01Å; W143-M162 HydrophobicContact CH2-SD 3.87Å; W143-M162 HydrophobicContact CZ2-CG 4.32Å |
| 144 | C | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | trans | -92.6 | 115.3 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | N141 E146 D147 Y150 | N141-C144 HydrophobicContact CB-CB 3.82Å; N141-C144 PolarHBondContact O-N 3.41Å; N141-C144 PolarHBondContact OD1-N 3.09Å; C144-E146 PolarHBondContact O-N 3.35Å; C144-E146 VanDerWaalsContact O-N 3.12Å; C144-E146 PolarHBondContact SG-OE2 2.84Å; C144-D147 HydrophobicContact CB-CB 4.02Å; C144-D147 WeakPolarHBondContact O-CB 3.47Å; C144-D147 PolarHBondContact O-N 3.18Å; C144-Y150 VanDerWaalsContact C-CD2 3.47Å; C144-Y150 VanDerWaalsContact O-CB 3.3Å; C144-Y150 WeakPolarHBondContact O-CB 3.49Å; C144-Y150 WeakPolarHBondContact O-CD2 3.38Å | ||
| 145 | P | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 51% | 0.506 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -28.3 | -178.2 | -28.1 | 37.2 | 0 | 0 | 0 | 115.3 | W143 Y150 | W143-P145 WeakPolarHBondContact O-CD 3.43Å; P145-Y150 HydrophobicContact CB-CD1 4.5Å; P145-Y150 HydrophobicContact CB-CD2 4.47Å; P145-Y150 HydrophobicContact CB-CE1 4.38Å; P145-Y150 HydrophobicContact CB-CE2 4.36Å; P145-Y150 HydrophobicContact CG-CD2 4.42Å; P145-Y150 HydrophobicContact CG-CE2 3.98Å |
| 146 | E | 98.3 | Very high | 98.6 | Very high | 128 Ų | 128 | 33 Ų | 33 | 60% | 0.598 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.6 | -180 | -59.7 | 74.8 | -156 | 0 | 0 | 113.4 | P108 C144 | P108-E146 HydrophobicContact CB-CB 3.96Å; P108-E146 HydrophobicContact CG-CB 3.59Å; C144-E146 PolarHBondContact O-N 3.35Å; C144-E146 VanDerWaalsContact O-N 3.12Å; C144-E146 PolarHBondContact SG-OE2 2.84Å |
| 147 | D | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -73.8 | 140.5 | 176.4 | -163.6 | -37.2 | 0 | 0 | 0 | 110.3 | R35 P108 N141 C144 V149 Y150 | R35-D147 VanDerWaalsContact CG-OD2 3.32Å; R35-D147 WeakPolarHBondContact CG-OD2 3.19Å; R35-D147 IonicContact CZ-OD1 3.35Å; R35-D147 IonicContact CZ-OD2 3.21Å; R35-D147 IonicContact NE-OD1 3.68Å; R35-D147 PolarHBondContact NE-OD1 3.33Å; R35-D147 IonicContact NE-OD2 3.83Å; R35-D147 PolarHBondContact NE-OD2 3.2Å; R35-D147 IonicContact NH2-OD1 3.65Å; R35-D147 PolarHBondContact NH2-OD1 2.78Å; R35-D147 IonicContact NH2-OD2 2.92Å; P108-D147 HydrophobicContact CB-CB 4.42Å; N141-D147 WeakPolarHBondContact CA-OD2 3.29Å; N141-D147 HydrophobicContact CB-CB 4.46Å; N141-D147 WeakPolarHBondContact CB-OD2 3.24Å; N141-D147 PolarHBondContact N-OD2 2.75Å; N141-D147 VanDerWaalsContact O-CB 3.25Å; N141-D147 WeakPolarHBondContact O-CB 3.42Å; C144-D147 HydrophobicContact CB-CB 4.02Å; C144-D147 WeakPolarHBondContact O-CB 3.47Å; C144-D147 PolarHBondContact O-N 3.18Å; D147-V149 PolarHBondContact O-N 2.82Å; D147-V149 VanDerWaalsContact O-N 3.12Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.45Å; D147-V149 PolarHBondContact OD1-N 2.78Å; D147-Y150 WeakPolarHBondContact O-CB 3.43Å; D147-Y150 PolarHBondContact O-N 2.95Å |
| 148 | A | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P218 M344 A345 | A148-P218 HydrophobicContact CB-CG 3.73Å; A148-M344 CarbonylContact O-C 3.5Å; A148-M344 VanDerWaalsContact O-CA 3.28Å; A148-M344 WeakPolarHBondContact O-CA 3.17Å; A148-A345 HydrophobicContact CB-CB 4.32Å; A148-A345 PolarHBondContact O-N 3.32Å |
| 149 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 12 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 114 | F140 P142 D147 L151 P218 I294 M344 | F140-V149 HydrophobicContact CB-CG2 3.79Å; F140-V149 HydrophobicContact CD1-CG1 4.14Å; F140-V149 HydrophobicContact CD1-CG2 4.36Å; F140-V149 HydrophobicContact CG-CG2 4.46Å; P142-V149 WeakPolarHBondContact CA-O 3.46Å; P142-V149 HydrophobicContact CB-CG2 4.34Å; P142-V149 WeakPolarHBondContact CB-O 3.33Å; D147-V149 PolarHBondContact O-N 2.82Å; D147-V149 VanDerWaalsContact O-N 3.12Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.45Å; D147-V149 PolarHBondContact OD1-N 2.78Å; V149-L151 PolarHBondContact O-N 2.8Å; V149-P218 HydrophobicContact CG1-CB 3.61Å; V149-P218 HydrophobicContact CG1-CG 3.95Å; V149-I294 HydrophobicContact CG1-CG1 4.3Å; V149-I294 HydrophobicContact CG1-CG2 4.38Å; V149-M344 HydrophobicContact CG1-CB 4.35Å |
| 150 | Y | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 37 Ų | 37 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | trans | -54.2 | 126 | 179 | 179.2 | -119.1 | 0 | 0 | 0 | 112 | P142 C144 P145 D147 D152 W343 | P142-Y150 WeakPolarHBondContact O-CD2 3.26Å; C144-Y150 VanDerWaalsContact C-CD2 3.47Å; C144-Y150 VanDerWaalsContact O-CB 3.3Å; C144-Y150 WeakPolarHBondContact O-CB 3.49Å; C144-Y150 WeakPolarHBondContact O-CD2 3.38Å; P145-Y150 HydrophobicContact CB-CD1 4.5Å; P145-Y150 HydrophobicContact CB-CD2 4.47Å; P145-Y150 HydrophobicContact CB-CE1 4.38Å; P145-Y150 HydrophobicContact CB-CE2 4.36Å; P145-Y150 HydrophobicContact CG-CD2 4.42Å; P145-Y150 HydrophobicContact CG-CE2 3.98Å; D147-Y150 WeakPolarHBondContact O-CB 3.43Å; D147-Y150 PolarHBondContact O-N 2.95Å; Y150-D152 HydrophobicContact CE1-CB 3.95Å; Y150-W343 PolarHBondContact O-NE1 2.86Å | ||
| 151 | L | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -125.3 | 110.2 | 176.7 | -176 | 65.7 | 0 | 0 | 0 | 107.9 | P142 V149 S153 Q156 R157 Y160 P295 W343 | P142-L151 PolarHBondContact O-N 2.9Å; V149-L151 PolarHBondContact O-N 2.8Å; L151-S153 VanDerWaalsContact C-N 3.35Å; L151-S153 PolarHBondContact O-N 2.8Å; L151-Q156 HydrophobicContact CD2-CB 3.59Å; L151-Q156 HydrophobicContact CG-CB 4.1Å; L151-R157 HydrophobicContact CB-CG 4.01Å; L151-R157 HydrophobicContact CD2-CG 4.19Å; L151-R157 HydrophobicContact CG-CG 4.3Å; L151-R157 VanDerWaalsContact O-CD 3.22Å; L151-R157 WeakPolarHBondContact O-CD 3.46Å; L151-R157 WeakPolarHBondContact O-CG 3.35Å; L151-R157 PolarHBondContact O-NH1 2.81Å; L151-Y160 HydrophobicContact CD2-CD2 4.01Å; L151-P295 HydrophobicContact CB-CG 4.33Å; L151-P295 HydrophobicContact CD2-CB 3.96Å; L151-P295 HydrophobicContact CD2-CG 4.23Å; L151-W343 HydrophobicContact CD1-CD2 3.53Å; L151-W343 VanDerWaalsContact CD1-CE2 3.4Å; L151-W343 HydrophobicContact CD1-CE3 4.04Å; L151-W343 HydrophobicContact CD1-CG 3.84Å; L151-W343 HydrophobicContact CD1-CH2 4.26Å; L151-W343 HydrophobicContact CD1-CZ2 3.8Å; L151-W343 HydrophobicContact CD1-CZ3 4.37Å | ||
| 152 | D | 97.8 | Very high | 98.5 | Very high | 108 Ų | 108 | 38.1 Ų | 38.1 | 58% | 0.578 | 20% | 0.196 | S | C | * | . | trans | -60.8 | -39.4 | -169 | 63.7 | -15.2 | 0 | 0 | 0 | 114.1 | Y150 E154 R157 | Y150-D152 HydrophobicContact CE1-CB 3.95Å; D152-E154 PolarHBondContact O-N 2.8Å; D152-R157 PolarHBondContact O-NH1 2.95Å; D152-R157 VanDerWaalsContact O-NH1 3.1Å | ||
| 153 | S | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | trans | -76.5 | 113.8 | -174.3 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | L151 Q156 R157 | L151-S153 VanDerWaalsContact C-N 3.35Å; L151-S153 PolarHBondContact O-N 2.8Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.86Å; S153-Q156 VanDerWaalsContact O-N 3.09Å; S153-Q156 WeakPolarHBondContact OG-CG 3.49Å; S153-R157 PolarHBondContact O-N 2.84Å | ||
| 154 | E | 98.1 | Very high | 98.4 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 175.9 | -178.9 | 59.4 | -156 | 0 | 0 | 113.3 | W143 D152 Q156 R157 Q158 | W143-E154 PolarHBondContact NE1-OE2 2.59Å; D152-E154 PolarHBondContact O-N 2.8Å; E154-Q156 PolarHBondContact O-N 2.84Å; E154-R157 PolarHBondContact O-N 2.96Å; E154-R157 VanDerWaalsContact O-N 3.11Å; E154-R157 IonicContact OE2-CZ 3.53Å; E154-R157 VanDerWaalsContact OE2-CZ 3.25Å; E154-R157 IonicContact OE2-NE 3.29Å; E154-R157 PolarHBondContact OE2-NE 2.84Å; E154-R157 IonicContact OE2-NH2 2.59Å; E154-R157 PolarHBondContact OE2-NH2 2.98Å; E154-Q158 WeakPolarHBondContact O-CG 3.22Å; E154-Q158 PolarHBondContact O-N 2.48Å; E154-Q158 PolarHBondContact OE1-NE2 3.43Å |
| 155 | P | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.3 | -36.8 | 173.1 | -28.3 | 36.3 | 0 | 0 | 0 | 113.8 | Q158 E159 I432 | P155-Q158 PolarHBondContact O-N 3.46Å; P155-E159 PolarHBondContact O-N 2.72Å; P155-I432 HydrophobicContact CB-CG2 3.75Å; P155-I432 WeakPolarHBondContact O-CG2 3.35Å |
| 156 | Q | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.6 | -39.3 | 176.9 | -67.3 | -178.1 | -15 | 0 | 0 | 112 | L151 S153 E154 Q158 E159 Y160 I432 | L151-Q156 HydrophobicContact CD2-CB 3.59Å; L151-Q156 HydrophobicContact CG-CB 4.1Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.86Å; S153-Q156 VanDerWaalsContact O-N 3.09Å; S153-Q156 WeakPolarHBondContact OG-CG 3.49Å; E154-Q156 PolarHBondContact O-N 2.84Å; Q156-Q158 VanDerWaalsContact C-N 3.3Å; Q156-Q158 PolarHBondContact O-N 3.17Å; Q156-E159 PolarHBondContact O-N 3.11Å; Q156-Y160 HydrophobicContact CB-CD2 3.77Å; Q156-Y160 HydrophobicContact CB-CE2 3.72Å; Q156-Y160 HydrophobicContact CG-CD2 4.41Å; Q156-Y160 HydrophobicContact CG-CE2 3.85Å; Q156-Y160 VanDerWaalsContact O-CB 3.31Å; Q156-Y160 WeakPolarHBondContact O-CB 3.5Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.48Å; Q156-Y160 PolarHBondContact O-N 2.76Å; Q156-I432 HydrophobicContact CG-CD1 3.53Å; Q156-I432 HydrophobicContact CG-CG1 4.23Å |
| 157 | R | 98.7 | Very high | 98.3 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 173.1 | -69 | -172.5 | -67.4 | -117.5 | 3.8 | 111.3 | P142 W143 L151 D152 S153 E154 V161 M162 | P142-R157 HydrophobicContact CB-CG 4.45Å; P142-R157 VanDerWaalsContact O-CD 3.31Å; P142-R157 WeakPolarHBondContact O-CD 3.36Å; W143-R157 HydrophobicContact CH2-CB 4.37Å; W143-R157 HydrophobicContact CZ2-CB 3.8Å; W143-R157 VanDerWaalsContact NE1-NE 3.1Å; L151-R157 HydrophobicContact CB-CG 4.01Å; L151-R157 HydrophobicContact CD2-CG 4.19Å; L151-R157 HydrophobicContact CG-CG 4.3Å; L151-R157 VanDerWaalsContact O-CD 3.22Å; L151-R157 WeakPolarHBondContact O-CD 3.46Å; L151-R157 WeakPolarHBondContact O-CG 3.35Å; L151-R157 PolarHBondContact O-NH1 2.81Å; D152-R157 PolarHBondContact O-NH1 2.95Å; D152-R157 VanDerWaalsContact O-NH1 3.1Å; S153-R157 PolarHBondContact O-N 2.84Å; E154-R157 PolarHBondContact O-N 2.96Å; E154-R157 VanDerWaalsContact O-N 3.11Å; E154-R157 IonicContact OE2-CZ 3.53Å; E154-R157 VanDerWaalsContact OE2-CZ 3.25Å; E154-R157 IonicContact OE2-NE 3.29Å; E154-R157 PolarHBondContact OE2-NE 2.84Å; E154-R157 IonicContact OE2-NH2 2.59Å; E154-R157 PolarHBondContact OE2-NH2 2.98Å; R157-V161 VanDerWaalsContact O-CB 3.28Å; R157-V161 WeakPolarHBondContact O-CB 3.3Å; R157-V161 PolarHBondContact O-N 3.39Å; R157-M162 PolarHBondContact O-N 3.4Å |
| 158 | Q | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 31% | 0.313 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -62 | -45.1 | 175 | -65.8 | -56.8 | -38.2 | 0 | 0 | 111.8 | E154 P155 Q156 M162 N163 | E154-Q158 WeakPolarHBondContact O-CG 3.22Å; E154-Q158 PolarHBondContact O-N 2.48Å; E154-Q158 PolarHBondContact OE1-NE2 3.43Å; P155-Q158 PolarHBondContact O-N 3.46Å; Q156-Q158 VanDerWaalsContact C-N 3.3Å; Q156-Q158 PolarHBondContact O-N 3.17Å; Q158-M162 CarbonylContact O-C 3.55Å; Q158-M162 WeakPolarHBondContact O-CA 3.32Å; Q158-M162 WeakPolarHBondContact O-CB 3.47Å; Q158-M162 PolarHBondContact O-N 3.36Å; Q158-N163 PolarHBondContact O-N 2.92Å |
| 159 | E | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -71.3 | -40.6 | 179.1 | -179.5 | 62.8 | -157.6 | 0 | 0 | 113.8 | P155 Q156 N163 R290 K430 I432 | P155-E159 PolarHBondContact O-N 2.72Å; Q156-E159 PolarHBondContact O-N 3.11Å; E159-N163 WeakPolarHBondContact O-CB 3.1Å; E159-N163 PolarHBondContact OE1-ND2 2.93Å; E159-N163 PolarHBondContact OE2-ND2 3.04Å; E159-R290 PolarHBondContact O-NH1 2.93Å; E159-R290 VanDerWaalsContact O-NH1 3.12Å; E159-R290 PolarHBondContact O-NH2 3.47Å; E159-R290 VanDerWaalsContact O-NH2 3.12Å; E159-K430 WeakPolarHBondContact OE1-CD 3.5Å; E159-K430 IonicContact OE1-NZ 3.74Å; E159-K430 PolarHBondContact OE1-NZ 3.4Å; E159-K430 IonicContact OE2-NZ 3.97Å; E159-K430 PolarHBondContact OE2-NZ 3.03Å; E159-I432 HydrophobicContact CB-CB 4.49Å; E159-I432 HydrophobicContact CB-CG1 4.42Å; E159-I432 HydrophobicContact CB-CG2 4.21Å; E159-I432 HydrophobicContact CG-CG1 4.45Å |
| 160 | Y | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -99.2 | -2.3 | -167.8 | -54.8 | -44.8 | 0 | 0 | 0 | 114.1 | L151 Q156 R290 P295 T296 R297 W356 I432 | L151-Y160 HydrophobicContact CD2-CD2 4.01Å; Q156-Y160 HydrophobicContact CB-CD2 3.77Å; Q156-Y160 HydrophobicContact CB-CE2 3.72Å; Q156-Y160 HydrophobicContact CG-CD2 4.41Å; Q156-Y160 HydrophobicContact CG-CE2 3.85Å; Q156-Y160 VanDerWaalsContact O-CB 3.31Å; Q156-Y160 WeakPolarHBondContact O-CB 3.5Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.48Å; Q156-Y160 PolarHBondContact O-N 2.76Å; Y160-R290 VanDerWaalsContact O-CG 3.31Å; Y160-R290 WeakPolarHBondContact O-CG 3.44Å; Y160-R290 PolarHBondContact O-NE 2.9Å; Y160-P295 WeakPolarHBondContact O-CA 3.48Å; Y160-T296 PolarHBondContact O-N 3.36Å; Y160-R297 HydrophobicContact CD1-CB 3.84Å; Y160-R297 HydrophobicContact CE1-CB 3.82Å; Y160-R297 HydrophobicContact CE1-CG 4.37Å; Y160-R297 PolarHBondContact OH-NH1 2.85Å; Y160-W356 HydrophobicContact CD1-CH2 4.4Å; Y160-W356 AromaticContact CD2-CH2 3.57Å; Y160-W356 HydrophobicContact CD2-CH2 3.57Å; Y160-W356 AromaticContact CD2-CZ2 3.76Å; Y160-W356 HydrophobicContact CD2-CZ2 3.76Å; Y160-W356 AromaticContact CE2-CH2 3.81Å; Y160-W356 HydrophobicContact CE2-CH2 3.81Å; Y160-W356 AromaticContact CE2-CZ2 3.52Å; Y160-W356 HydrophobicContact CE2-CZ2 3.52Å; Y160-W356 AromaticContact CG-CH2 3.9Å; Y160-W356 HydrophobicContact CG-CH2 3.9Å; Y160-W356 HydrophobicContact CG-CZ2 4.46Å; Y160-I432 HydrophobicContact CE2-CD1 4.49Å; Y160-I432 HydrophobicContact CE2-CG1 4.27Å; Y160-I432 WeakPolarHBondContact OH-CG1 3.37Å |
| 161 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -130.7 | -50.4 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | P142 W143 R157 Q185 P295 | P142-V161 HydrophobicContact CB-CG2 4.49Å; P142-V161 HydrophobicContact CG-CG2 3.82Å; W143-V161 HydrophobicContact CH2-CB 4.38Å; W143-V161 HydrophobicContact CH2-CG1 4.24Å; W143-V161 HydrophobicContact CZ3-CG1 4.34Å; R157-V161 VanDerWaalsContact O-CB 3.28Å; R157-V161 WeakPolarHBondContact O-CB 3.3Å; R157-V161 PolarHBondContact O-N 3.39Å; V161-Q185 PolarHBondContact O-NE2 3.22Å; V161-P295 HydrophobicContact CG2-CB 3.94Å; V161-P295 HydrophobicContact CG2-CG 3.89Å |
| 162 | M | 98.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -88.6 | -26.2 | -170.5 | -56 | -53.4 | -65.4 | 0 | 0 | 114.6 | H22 E25 W143 R157 Q158 D164 F186 | H22-M162 HydrophobicContact CB-CE 4.4Å; H22-M162 HydrophobicContact CB-SD 4.27Å; E25-M162 HydrophobicContact CG-CE 4.45Å; W143-M162 HydrophobicContact CH2-CG 4.01Å; W143-M162 HydrophobicContact CH2-SD 3.87Å; W143-M162 HydrophobicContact CZ2-CG 4.32Å; R157-M162 PolarHBondContact O-N 3.4Å; Q158-M162 CarbonylContact O-C 3.55Å; Q158-M162 WeakPolarHBondContact O-CA 3.32Å; Q158-M162 WeakPolarHBondContact O-CB 3.47Å; Q158-M162 PolarHBondContact O-N 3.36Å; M162-D164 PolarHBondContact O-N 3.09Å; M162-F186 HydrophobicContact CE-CE2 3.95Å; M162-F186 HydrophobicContact CE-CZ 3.79Å; M162-F186 WeakPolarHBondContact O-CE2 3.06Å; M162-F186 HydrophobicContact SD-CE2 4.49Å; M162-F186 HydrophobicContact SD-CZ 3.9Å |
| 163 | N | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 22.2 Ų | 22.2 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | trans | -72.3 | 122.2 | 177.6 | -170.2 | -3 | 0 | 0 | 0 | 110.1 | Q158 E159 Y165 Q185 R290 | Q158-N163 PolarHBondContact O-N 2.92Å; E159-N163 WeakPolarHBondContact O-CB 3.1Å; E159-N163 PolarHBondContact OE1-ND2 2.93Å; E159-N163 PolarHBondContact OE2-ND2 3.04Å; N163-Y165 VanDerWaalsContact CG-O 3.27Å; N163-Y165 PolarHBondContact ND2-O 2.88Å; N163-Y165 WeakPolarHBondContact OD1-CD1 3.37Å; N163-Y165 PolarHBondContact OD1-N 3.3Å; N163-Y165 PolarHBondContact OD1-O 2.86Å; N163-Q185 PolarHBondContact O-NE2 2.76Å; N163-R290 PolarHBondContact O-NH1 2.91Å | ||
| 164 | D | 97.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | trans | -103.2 | 6.7 | -174.8 | 68.2 | -8.1 | 0 | 0 | 0 | 114 | M162 N182 Y183 G184 Q185 F186 S660 | M162-D164 PolarHBondContact O-N 3.09Å; D164-N182 PolarHBondContact O-OD1 2.79Å; D164-Y183 WeakPolarHBondContact O-CA 3.41Å; D164-Y183 WeakPolarHBondContact O-CB 3.27Å; D164-Y183 PolarHBondContact O-N 2.86Å; D164-G184 PolarHBondContact O-N 3.08Å; D164-Q185 VanDerWaalsContact CA-OE1 3.32Å; D164-F186 HydrophobicContact CB-CD2 4.35Å; D164-S660 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 165 | Y | 97.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 165.9 | 168.1 | 67.4 | -90.9 | 0 | 0 | 0 | 110.6 | N163 W181 Q693 Q695 | N163-Y165 VanDerWaalsContact CG-O 3.27Å; N163-Y165 PolarHBondContact ND2-O 2.88Å; N163-Y165 WeakPolarHBondContact OD1-CD1 3.37Å; N163-Y165 PolarHBondContact OD1-N 3.3Å; N163-Y165 PolarHBondContact OD1-O 2.86Å; Y165-W181 WeakPolarHBondContact CA-O 3.12Å; Y165-Q693 HydrophobicContact CE1-CG 4.43Å; Y165-Q693 WeakPolarHBondContact OH-CG 3.35Å; Y165-Q695 HydrophobicContact CD1-CB 3.95Å; Y165-Q695 HydrophobicContact CD2-CB 3.61Å; Y165-Q695 VanDerWaalsContact CD2-CD 3.45Å; Y165-Q695 HydrophobicContact CD2-CG 4.15Å; Y165-Q695 HydrophobicContact CE1-CB 4.23Å; Y165-Q695 HydrophobicContact CE2-CB 3.93Å; Y165-Q695 HydrophobicContact CE2-CG 4.46Å; Y165-Q695 HydrophobicContact CG-CB 3.63Å |
| 166 | G | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -163.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P180 W181 | G166-P180 CarbonylContact O-C 3.43Å; G166-P180 WeakPolarHBondContact O-CA 3.31Å; G166-W181 PolarHBondContact N-O 3.21Å; G166-W181 PolarHBondContact O-N 3.43Å |
| 167 | F | 97.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.4 | 177.5 | -61.7 | -73.9 | 0 | 0 | 0 | 110.6 | Y169 P178 C179 P180 K430 D435 Y711 | F167-Y169 HydrophobicContact CB-CE2 4.37Å; F167-P178 HydrophobicContact CB-CB 4.27Å; F167-P178 HydrophobicContact CD1-CB 3.77Å; F167-P178 HydrophobicContact CE1-CB 4.41Å; F167-P178 HydrophobicContact CG-CB 4.08Å; F167-C179 WeakPolarHBondContact CA-O 3.32Å; F167-P180 HydrophobicContact CD1-CB 4.23Å; F167-P180 HydrophobicContact CE1-CB 3.98Å; F167-K430 HydrophobicContact CD2-CD 3.79Å; F167-K430 HydrophobicContact CD2-CG 4.1Å; F167-K430 HydrophobicContact CE2-CD 4.41Å; F167-D435 HydrophobicContact CD2-CB 4.42Å; F167-D435 HydrophobicContact CE2-CB 3.52Å; F167-D435 VanDerWaalsContact CE2-CG 3.43Å; F167-D435 WeakPolarHBondContact CE2-OD1 3.46Å; F167-D435 HydrophobicContact CZ-CB 4.06Å; F167-Y711 AromaticContact CE1-CD1 3.73Å; F167-Y711 HydrophobicContact CE1-CD1 3.73Å; F167-Y711 HydrophobicContact CE1-CD2 4.23Å; F167-Y711 AromaticContact CE1-CE1 3.51Å; F167-Y711 HydrophobicContact CE1-CE1 3.51Å; F167-Y711 HydrophobicContact CE1-CE2 4.04Å; F167-Y711 HydrophobicContact CE1-CG 4.09Å; F167-Y711 AromaticContact CE1-CZ 3.68Å; F167-Y711 HydrophobicContact CZ-CD1 4.27Å; F167-Y711 AromaticContact CZ-CD2 3.99Å; F167-Y711 HydrophobicContact CZ-CD2 3.99Å; F167-Y711 AromaticContact CZ-CE1 3.85Å; F167-Y711 HydrophobicContact CZ-CE1 3.85Å; F167-Y711 AromaticContact CZ-CE2 3.56Å; F167-Y711 HydrophobicContact CZ-CE2 3.56Å; F167-Y711 HydrophobicContact CZ-CG 4.33Å; F167-Y711 AromaticContact CZ-CZ 3.48Å; F167-Y711 VanDerWaalsContact CZ-CZ 3.48Å |
| 168 | I | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.4 | 165.1 | -49.3 | 171.5 | 0 | 0 | 0 | 106.5 | C179 W181 W279 A283 V298 V338 | I168-C179 PolarHBondContact N-O 3.35Å; I168-C179 WeakPolarHBondContact O-CA 3.12Å; I168-C179 VanDerWaalsContact O-CB 3.3Å; I168-C179 WeakPolarHBondContact O-CB 3.3Å; I168-C179 PolarHBondContact O-N 3.02Å; I168-W181 HydrophobicContact CD1-CB 3.99Å; I168-W181 HydrophobicContact CD1-CD2 3.83Å; I168-W181 HydrophobicContact CD1-CE3 3.76Å; I168-W181 HydrophobicContact CD1-CG 3.94Å; I168-W181 HydrophobicContact CD1-CZ3 4.48Å; I168-W181 HydrophobicContact CG1-CB 4.17Å; I168-W279 HydrophobicContact CD1-CB 4.2Å; I168-W279 HydrophobicContact CG2-CB 3.92Å; I168-A283 HydrophobicContact CD1-CB 3.66Å; I168-V298 HydrophobicContact CG1-CG1 4.22Å; I168-V298 HydrophobicContact CG2-CG1 4.11Å; I168-V338 HydrophobicContact CG2-CG1 3.87Å; I168-V338 HydrophobicContact CG2-CG2 4.13Å |
| 169 | Y | 96.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.2 | -179.9 | -64.4 | -82.1 | 0 | 0 | 0 | 109.1 | F167 I176 R177 P178 T300 T429 E436 R437 | F167-Y169 HydrophobicContact CB-CE2 4.37Å; Y169-I176 HydrophobicContact CD1-CG2 3.7Å; Y169-I176 HydrophobicContact CG-CG2 4.18Å; Y169-R177 WeakPolarHBondContact CA-O 3.31Å; Y169-P178 HydrophobicContact CD1-CB 4.43Å; Y169-P178 HydrophobicContact CE1-CB 4.04Å; Y169-T300 PolarHBondContact N-OG1 3.38Å; Y169-T300 WeakPolarHBondContact O-CB 3.34Å; Y169-T300 WeakPolarHBondContact O-CG2 3.37Å; Y169-T300 PolarHBondContact O-OG1 3.38Å; Y169-T429 WeakPolarHBondContact CE2-O 3.46Å; Y169-E436 PolarHBondContact OH-O 2.78Å; Y169-R437 HydrophobicContact CD1-CB 4.31Å; Y169-R437 HydrophobicContact CD1-CG 3.92Å; Y169-R437 HydrophobicContact CD2-CG 4.37Å; Y169-R437 HydrophobicContact CE1-CB 3.53Å; Y169-R437 HydrophobicContact CE1-CG 3.59Å; Y169-R437 HydrophobicContact CE2-CB 4.49Å; Y169-R437 HydrophobicContact CE2-CG 4.12Å; Y169-R437 HydrophobicContact CG-CG 4.29Å; Y169-R437 WeakPolarHBondContact OH-CA 3.46Å; Y169-R437 PolarHBondContact OH-N 2.85Å |
| 170 | Q | 92.1 | Very high | 94 | Very high | 11 Ų | 11 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | -179.2 | 179.8 | -60 | -173.4 | 0.1 | 0 | 0 | 110 | R177 C179 F336 | Q170-R177 HydrophobicContact CB-CG 4.16Å; Q170-R177 PolarHBondContact N-O 3.44Å; Q170-R177 WeakPolarHBondContact O-CG 3.25Å; Q170-R177 PolarHBondContact O-N 3.12Å; Q170-C179 VanDerWaalsContact CD-SG 3.51Å; Q170-C179 HydrophobicContact CG-CB 4.29Å; Q170-C179 PolarHBondContact OE1-SG 2.99Å; Q170-F336 HydrophobicContact CB-CE1 4.02Å; Q170-F336 HydrophobicContact CB-CE2 4.17Å; Q170-F336 HydrophobicContact CB-CZ 3.72Å; Q170-F336 HydrophobicContact CG-CE1 4.47Å; Q170-F336 HydrophobicContact CG-CE2 3.82Å; Q170-F336 HydrophobicContact CG-CZ 3.68Å |
| 171 | G | 88 | Confident | 94 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.4 | -128.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F336 | G171-F336 WeakPolarHBondContact O-CD1 3.08Å |
| 172 | S | 87.7 | Confident | 94 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 168.2 | 174.3 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | N174 W175 I176 T616 | S172-N174 PolarHBondContact O-N 2.97Å; S172-W175 PolarHBondContact N-O 3.42Å; S172-W175 CarbonylContact O-C 3.55Å; S172-W175 PolarHBondContact O-N 2.69Å; S172-I176 WeakPolarHBondContact O-CG1 3.48Å; S172-I176 PolarHBondContact O-N 2.74Å; S172-T616 PolarHBondContact OG-OG1 3.49Å |
| 173 | K | 88.6 | Confident | 94 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 26% | 0.261 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.1 | 176.3 | 65.4 | 161.7 | 162.5 | -139.7 | 0 | 114.8 | F302 D303 N425 F426 | K173-F302 HydrophobicContact CB-CB 4.08Å; K173-D303 WeakPolarHBondContact CD-OD2 3.48Å; K173-D303 WeakPolarHBondContact CE-OD2 3.48Å; K173-D303 WeakPolarHBondContact CG-OD2 3.38Å; K173-D303 IonicContact NZ-OD2 3.25Å; K173-D303 PolarHBondContact NZ-OD2 3.38Å; K173-N425 HydrophobicContact CB-CB 4.49Å; K173-N425 HydrophobicContact CD-CB 4.49Å; K173-F426 HydrophobicContact CB-CD2 3.62Å; K173-F426 HydrophobicContact CB-CE2 3.8Å; K173-F426 HydrophobicContact CD-CE2 4.49Å; K173-F426 WeakPolarHBondContact O-CE2 3.43Å |
| 174 | N | 85.9 | Confident | 94 | Very high | 92 Ų | 92 | 25.4 Ų | 25.4 | 49% | 0.492 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -15.5 | 179.6 | -60.3 | -58.1 | 0 | 0 | 0 | 113 | S172 | S172-N174 PolarHBondContact O-N 2.97Š|
| 175 | W | 87.3 | Confident | 94.1 | Very high | 140 Ų | 140 | 25.1 Ų | 25.1 | 53% | 0.53 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 82.4 | -176.8 | -166.8 | -91.6 | 0 | 0 | 0 | 109.9 | S172 T616 | S172-W175 PolarHBondContact N-O 3.42Å; S172-W175 CarbonylContact O-C 3.55Å; S172-W175 PolarHBondContact O-N 2.69Å; W175-T616 HydrophobicContact CB-CG2 4.43Å; W175-T616 HydrophobicContact CG-CG2 4.49Å |
| 176 | I | 91.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 22% | 0.221 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.1 | 179.9 | -60.2 | 175.8 | 0 | 0 | 0 | 108.5 | Y169 S172 F302 F426 | Y169-I176 HydrophobicContact CD1-CG2 3.7Å; Y169-I176 HydrophobicContact CG-CG2 4.18Å; S172-I176 WeakPolarHBondContact O-CG1 3.48Å; S172-I176 PolarHBondContact O-N 2.74Å; I176-F302 HydrophobicContact CB-CZ 4.18Å; I176-F302 HydrophobicContact CD1-CD2 4.1Å; I176-F302 HydrophobicContact CD1-CE2 3.71Å; I176-F302 HydrophobicContact CD1-CZ 4.16Å; I176-F302 HydrophobicContact CG1-CD2 4.35Å; I176-F302 HydrophobicContact CG1-CE1 4.17Å; I176-F302 HydrophobicContact CG1-CE2 3.78Å; I176-F302 HydrophobicContact CG1-CZ 3.69Å; I176-F302 HydrophobicContact CG2-CE2 4.07Å; I176-F302 HydrophobicContact CG2-CZ 3.76Å; I176-F426 HydrophobicContact CD1-CB 3.62Å; I176-F426 HydrophobicContact CD1-CD2 4.44Å; I176-F426 HydrophobicContact CD1-CG 3.96Å |
| 177 | R | 89.3 | Confident | 94 | Very high | 52 Ų | 52 | 25.2 Ų | 25.2 | 20% | 0.196 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136 | 176.9 | 64.4 | 176 | -173.1 | 156.8 | 7 | 111.1 | Y169 Q170 D707 | Y169-R177 WeakPolarHBondContact CA-O 3.31Å; Q170-R177 HydrophobicContact CB-CG 4.16Å; Q170-R177 PolarHBondContact N-O 3.44Å; Q170-R177 WeakPolarHBondContact O-CG 3.25Å; Q170-R177 PolarHBondContact O-N 3.12Å; R177-D707 IonicContact CZ-OD2 3.38Å; R177-D707 IonicContact NH1-OD2 2.71Å; R177-D707 PolarHBondContact NH1-OD2 2.7Å; R177-D707 IonicContact NH2-OD2 3.8Å; R177-D707 PolarHBondContact NH2-OD2 2.67Å |
| 178 | P | 93.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 31 Ų | 31 | 40% | 0.396 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.1 | 167.7 | 30.6 | -31.8 | 0 | 0 | 0 | 109.7 | F167 Y169 | F167-P178 HydrophobicContact CB-CB 4.27Å; F167-P178 HydrophobicContact CD1-CB 3.77Å; F167-P178 HydrophobicContact CE1-CB 4.41Å; F167-P178 HydrophobicContact CG-CB 4.08Å; Y169-P178 HydrophobicContact CD1-CB 4.43Å; Y169-P178 HydrophobicContact CE1-CB 4.04Å |
| 179 | C | 94.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.4 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | F167 I168 Q170 | F167-C179 WeakPolarHBondContact CA-O 3.32Å; I168-C179 PolarHBondContact N-O 3.35Å; I168-C179 WeakPolarHBondContact O-CA 3.12Å; I168-C179 VanDerWaalsContact O-CB 3.3Å; I168-C179 WeakPolarHBondContact O-CB 3.3Å; I168-C179 PolarHBondContact O-N 3.02Å; Q170-C179 VanDerWaalsContact CD-SG 3.51Å; Q170-C179 HydrophobicContact CG-CB 4.29Å; Q170-C179 PolarHBondContact OE1-SG 2.99Å |
| 180 | P | 96.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.9 | -179.2 | 29.4 | -36.4 | 0 | 0 | 0 | 110.5 | G166 F167 Q697 K709 Y711 | G166-P180 CarbonylContact O-C 3.43Å; G166-P180 WeakPolarHBondContact O-CA 3.31Å; F167-P180 HydrophobicContact CD1-CB 4.23Å; F167-P180 HydrophobicContact CE1-CB 3.98Å; P180-Q697 HydrophobicContact CB-CG 3.99Å; P180-K709 HydrophobicContact CG-CB 4.25Å; P180-Y711 HydrophobicContact CB-CD1 4.22Å; P180-Y711 HydrophobicContact CB-CG 4.2Å; P180-Y711 HydrophobicContact CG-CD1 4.2Å; P180-Y711 HydrophobicContact CG-CG 4.46Å |
| 181 | W | 98.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.9 | 177.6 | -165.3 | -87.1 | 0 | 0 | 0 | 111.6 | Y165 G166 I168 Y183 W255 S258 I261 W279 V280 A283 Q697 | Y165-W181 WeakPolarHBondContact CA-O 3.12Å; G166-W181 PolarHBondContact N-O 3.21Å; G166-W181 PolarHBondContact O-N 3.43Å; I168-W181 HydrophobicContact CD1-CB 3.99Å; I168-W181 HydrophobicContact CD1-CD2 3.83Å; I168-W181 HydrophobicContact CD1-CE3 3.76Å; I168-W181 HydrophobicContact CD1-CG 3.94Å; I168-W181 HydrophobicContact CD1-CZ3 4.48Å; I168-W181 HydrophobicContact CG1-CB 4.17Å; W181-Y183 AromaticContact CD1-CD1 3.66Å; W181-Y183 AromaticContact CD1-CE1 3.86Å; W181-W255 HydrophobicContact CH2-CB 3.51Å; W181-W255 HydrophobicContact CH2-CG 4.5Å; W181-W255 HydrophobicContact CZ2-CB 4.45Å; W181-W255 HydrophobicContact CZ3-CB 3.95Å; W181-W255 WeakPolarHBondContact CZ3-O 3.1Å; W181-S258 PolarHBondContact NE1-OG 3.33Å; W181-I261 HydrophobicContact CZ2-CD1 4.31Å; W181-W279 AromaticContact CZ3-CD1 3.95Å; W181-V280 HydrophobicContact CH2-CB 4.39Å; W181-V280 HydrophobicContact CH2-CG1 4.11Å; W181-V280 HydrophobicContact CH2-CG2 4.21Å; W181-V280 HydrophobicContact CZ2-CG1 4.48Å; W181-A283 HydrophobicContact CD2-CB 3.77Å; W181-A283 HydrophobicContact CG-CB 3.96Å; W181-A283 HydrophobicContact CZ2-CB 3.75Å; W181-A283 VanDerWaalsContact NE1-CB 3.26Å; W181-Q697 VanDerWaalsContact C-OE1 3.27Å; W181-Q697 PolarHBondContact O-NE2 2.93Å |
| 182 | N | 98.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 101.5 | 174.6 | -179.5 | 31.8 | 0 | 0 | 0 | 109.1 | D164 T256 G257 S258 E658 S660 | D164-N182 PolarHBondContact O-OD1 2.79Å; N182-T256 PolarHBondContact N-O 2.94Å; N182-G257 CarbonylContact O-C 3.56Å; N182-G257 WeakPolarHBondContact O-CA 3.45Å; N182-S258 PolarHBondContact O-N 3.05Å; N182-E658 HydrophobicContact CB-CG 4.4Å; N182-E658 PolarHBondContact ND2-OE2 2.92Å; N182-S660 PolarHBondContact ND2-OG 3.1Å; N182-S660 PolarHBondContact OD1-OG 2.95Å |
| 183 | Y | 98.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | trans | -68.5 | -51.8 | 174.5 | -61.5 | -61.3 | 0 | 0 | 0 | 109.5 | D164 W181 Q185 A283 C286 T287 V298 | D164-Y183 WeakPolarHBondContact O-CA 3.41Å; D164-Y183 WeakPolarHBondContact O-CB 3.27Å; D164-Y183 PolarHBondContact O-N 2.86Å; W181-Y183 AromaticContact CD1-CD1 3.66Å; W181-Y183 AromaticContact CD1-CE1 3.86Å; Y183-Q185 VanDerWaalsContact C-N 3.31Å; Y183-Q185 VanDerWaalsContact CB-OE1 3.31Å; Y183-Q185 PolarHBondContact O-N 3.39Å; Y183-A283 HydrophobicContact CE1-CB 4.12Å; Y183-C286 HydrophobicContact CD1-CB 4.1Å; Y183-C286 HydrophobicContact CE1-CB 3.77Å; Y183-T287 WeakPolarHBondContact CA-OG1 3.47Å; Y183-T287 WeakPolarHBondContact O-CG2 3.1Å; Y183-T287 PolarHBondContact O-OG1 2.91Å; Y183-V298 HydrophobicContact CE1-CG2 3.96Å; Y183-V298 WeakPolarHBondContact OH-CG2 3.48Å | ||
| 184 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 59.8 | 36.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D164 F186 E187 S660 | D164-G184 PolarHBondContact O-N 3.08Å; G184-F186 PolarHBondContact O-N 3.09Å; G184-E187 WeakPolarHBondContact O-CB 3.45Å; G184-E187 PolarHBondContact O-N 2.96Å; G184-S660 VanDerWaalsContact CA-OG 3.23Å; G184-S660 WeakPolarHBondContact CA-OG 3.38Å | ||
| 185 | Q | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.3 | -179.3 | 63.5 | -88.6 | 21.4 | 0 | 0 | 114.1 | V161 N163 D164 Y183 T287 R290 C291 | V161-Q185 PolarHBondContact O-NE2 3.22Å; N163-Q185 PolarHBondContact O-NE2 2.76Å; D164-Q185 VanDerWaalsContact CA-OE1 3.32Å; Y183-Q185 VanDerWaalsContact C-N 3.31Å; Y183-Q185 VanDerWaalsContact CB-OE1 3.31Å; Y183-Q185 PolarHBondContact O-N 3.39Å; Q185-T287 HydrophobicContact CB-CG2 4.05Å; Q185-R290 HydrophobicContact CB-CB 4.39Å; Q185-R290 HydrophobicContact CG-CB 4.02Å; Q185-C291 HydrophobicContact CB-CB 3.9Å; Q185-C291 PolarHBondContact O-SG 2.94Å; Q185-C291 VanDerWaalsContact O-SG 3.37Å |
| 186 | F | 97.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 6.2 | 179.7 | -52.5 | -34.9 | 0 | 0 | 0 | 113.5 | E25 I26 M162 D164 G184 K690 | E25-F186 HydrophobicContact CB-CB 4.2Å; E25-F186 HydrophobicContact CB-CD2 3.57Å; E25-F186 HydrophobicContact CB-CE2 3.96Å; E25-F186 HydrophobicContact CB-CG 3.86Å; E25-F186 HydrophobicContact CG-CD2 4.22Å; E25-F186 HydrophobicContact CG-CE2 4.41Å; I26-F186 HydrophobicContact CD1-CD1 4.21Å; I26-F186 HydrophobicContact CD1-CE1 4.33Å; I26-F186 HydrophobicContact CG1-CD1 3.46Å; I26-F186 VanDerWaalsContact CG1-CD1 3.46Å; I26-F186 HydrophobicContact CG1-CE1 4Å; I26-F186 HydrophobicContact CG1-CG 4.29Å; M162-F186 HydrophobicContact CE-CE2 3.95Å; M162-F186 HydrophobicContact CE-CZ 3.79Å; M162-F186 WeakPolarHBondContact O-CE2 3.06Å; M162-F186 HydrophobicContact SD-CE2 4.49Å; M162-F186 HydrophobicContact SD-CZ 3.9Å; D164-F186 HydrophobicContact CB-CD2 4.35Å; G184-F186 PolarHBondContact O-N 3.09Å; F186-K690 PolarHBondContact O-NZ 2.57Å |
| 187 | E | 97 | Very high | 97.1 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -71.5 | 155 | 173.8 | -72.6 | -64.7 | 133.2 | 0 | 0 | 111 | G184 K189 I190 V259 S660 G661 | G184-E187 WeakPolarHBondContact O-CB 3.45Å; G184-E187 PolarHBondContact O-N 2.96Å; E187-K189 PolarHBondContact O-N 3.06Å; E187-I190 HydrophobicContact CB-CG1 3.97Å; E187-I190 WeakPolarHBondContact O-CB 3.34Å; E187-I190 WeakPolarHBondContact O-CG1 3.18Å; E187-I190 PolarHBondContact O-N 3.39Å; E187-I190 VanDerWaalsContact O-N 3.07Å; E187-V259 HydrophobicContact CB-CG1 4.08Å; E187-V259 HydrophobicContact CB-CG2 4.13Å; E187-V259 HydrophobicContact CG-CG1 4.38Å; E187-V259 HydrophobicContact CG-CG2 3.97Å; E187-S660 WeakPolarHBondContact CG-OG 3.15Å; E187-S660 VanDerWaalsContact OE1-CA 3.24Å; E187-S660 WeakPolarHBondContact OE1-CA 3.19Å; E187-S660 VanDerWaalsContact OE1-CB 3.29Å; E187-S660 WeakPolarHBondContact OE1-CB 3.22Å; E187-G661 PolarHBondContact OE1-N 2.75Å |
| 188 | E | 94.5 | Very high | 97.6 | Very high | 126 Ų | 126 | 24.2 Ų | 24.2 | 59% | 0.589 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 133.7 | -174.5 | -163 | -157.2 | 141.8 | 0 | 0 | 111.9 | I190 K263 | E188-I190 PolarHBondContact O-N 3.26Å; E188-K263 WeakPolarHBondContact O-CE 3.29Å; E188-K263 PolarHBondContact O-NZ 2.82Å; E188-K263 VanDerWaalsContact O-NZ 3.09Å |
| 189 | K | 95.6 | Very high | 97.8 | Very high | 117 Ų | 117 | 23 Ų | 23 | 51% | 0.509 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -3.7 | -178.7 | -55.7 | -178 | 179.6 | 177.6 | 0 | 116.4 | E187 I191 D192 I193 | E187-K189 PolarHBondContact O-N 3.06Å; K189-I191 VanDerWaalsContact C-N 3.35Å; K189-I191 PolarHBondContact O-N 3.25Å; K189-D192 PolarHBondContact O-N 2.88Å; K189-D192 VanDerWaalsContact O-N 3.14Å; K189-I193 HydrophobicContact CB-CD1 4.37Å; K189-I193 VanDerWaalsContact O-CG1 3.24Å; K189-I193 WeakPolarHBondContact O-CG1 3.3Å; K189-I193 PolarHBondContact O-N 3.46Å |
| 190 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | -177.4 | -65.6 | -65.5 | 0 | 0 | 0 | 111.5 | E187 E188 D192 I193 C194 V259 L262 K263 T287 | E187-I190 HydrophobicContact CB-CG1 3.97Å; E187-I190 WeakPolarHBondContact O-CB 3.34Å; E187-I190 WeakPolarHBondContact O-CG1 3.18Å; E187-I190 PolarHBondContact O-N 3.39Å; E187-I190 VanDerWaalsContact O-N 3.07Å; E188-I190 PolarHBondContact O-N 3.26Å; I190-D192 VanDerWaalsContact C-N 3.29Å; I190-D192 PolarHBondContact O-N 3.08Å; I190-I193 HydrophobicContact CD1-CD1 4.3Å; I190-I193 PolarHBondContact O-N 2.92Å; I190-I193 VanDerWaalsContact O-N 3.16Å; I190-C194 PolarHBondContact O-N 2.8Å; I190-C194 PolarHBondContact O-SG 2.98Å; I190-V259 HydrophobicContact CD1-CB 4.48Å; I190-V259 HydrophobicContact CD1-CG1 4.19Å; I190-L262 HydrophobicContact CD1-CB 4.05Å; I190-L262 HydrophobicContact CD1-CD1 4.2Å; I190-L262 HydrophobicContact CG2-CD1 4.36Å; I190-K263 HydrophobicContact CD1-CG 4.36Å; I190-T287 HydrophobicContact CG2-CG2 4.32Å |
| 191 | I | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -41.3 | 174.4 | -176.5 | 58.2 | 0 | 0 | 0 | 112.5 | I26 L32 I137 L139 K189 I193 C194 L195 C291 | I26-I191 HydrophobicContact CG2-CB 4.15Å; I26-I191 HydrophobicContact CG2-CG2 3.75Å; L32-I191 HydrophobicContact CD2-CG1 4.41Å; I137-I191 HydrophobicContact CD1-CG1 4Å; L139-I191 HydrophobicContact CD2-CD1 3.87Å; K189-I191 VanDerWaalsContact C-N 3.35Å; K189-I191 PolarHBondContact O-N 3.25Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 3.44Å; I191-C194 PolarHBondContact O-N 2.81Å; I191-L195 HydrophobicContact CD1-CD1 4.42Å; I191-L195 HydrophobicContact CD1-CG 4.29Å; I191-L195 HydrophobicContact CG1-CD1 4.33Å; I191-L195 WeakPolarHBondContact O-CG 3.2Å; I191-L195 PolarHBondContact O-N 2.66Å; I191-C291 VanDerWaalsContact CA-SG 3.52Å |
| 192 | D | 98.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 28.6 Ų | 28.6 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.1 | -38 | 179.2 | -65.9 | -58.6 | 0 | 0 | 0 | 112.3 | R114 K189 I190 K196 | R114-D192 IonicContact CZ-OD1 3.49Å; R114-D192 IonicContact NE-OD1 2.74Å; R114-D192 VanDerWaalsContact NH2-CA 3.28Å; R114-D192 PolarHBondContact NH2-O 3.07Å; R114-D192 IonicContact NH2-OD1 3.56Å; R114-D192 PolarHBondContact NH2-OD1 3.18Å; K189-D192 PolarHBondContact O-N 2.88Å; K189-D192 VanDerWaalsContact O-N 3.14Å; I190-D192 VanDerWaalsContact C-N 3.29Å; I190-D192 PolarHBondContact O-N 3.08Å; D192-K196 WeakPolarHBondContact O-CB 3.33Å; D192-K196 PolarHBondContact O-N 3.43Å |
| 193 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.3 | -63.9 | 165.3 | 0 | 0 | 0 | 110.2 | K189 I190 I191 L195 K196 L197 L262 K263 W265 Y266 | K189-I193 HydrophobicContact CB-CD1 4.37Å; K189-I193 VanDerWaalsContact O-CG1 3.24Å; K189-I193 WeakPolarHBondContact O-CG1 3.3Å; K189-I193 PolarHBondContact O-N 3.46Å; I190-I193 HydrophobicContact CD1-CD1 4.3Å; I190-I193 PolarHBondContact O-N 2.92Å; I190-I193 VanDerWaalsContact O-N 3.16Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 3.44Å; I193-L195 PolarHBondContact O-N 2.83Å; I193-K196 PolarHBondContact O-N 2.82Å; I193-L197 WeakPolarHBondContact O-CB 3.4Å; I193-L197 PolarHBondContact O-N 3.04Å; I193-L262 HydrophobicContact CG2-CB 4.1Å; I193-L262 HydrophobicContact CG2-CD2 4.2Å; I193-K263 HydrophobicContact CD1-CG 3.96Å; I193-W265 HydrophobicContact CG2-CE3 3.96Å; I193-W265 HydrophobicContact CG2-CZ3 4.01Å; I193-Y266 HydrophobicContact CD1-CG 4.26Å; I193-Y266 HydrophobicContact CG1-CD1 4.24Å; I193-Y266 HydrophobicContact CG1-CD2 3.86Å; I193-Y266 HydrophobicContact CG1-CG 3.7Å |
| 194 | C | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 176.5 | -67.9 | 0 | 0 | 0 | 0 | 112 | I190 I191 L197 L198 V288 C291 L292 | I190-C194 PolarHBondContact O-N 2.8Å; I190-C194 PolarHBondContact O-SG 2.98Å; I191-C194 PolarHBondContact O-N 2.81Å; C194-L197 WeakPolarHBondContact O-CB 3.46Å; C194-L197 PolarHBondContact O-N 2.72Å; C194-L198 PolarHBondContact O-N 3.16Å; C194-V288 HydrophobicContact CB-CG1 4.23Å; C194-C291 HydrophobicContact CB-CB 4.43Å; C194-L292 HydrophobicContact CB-CD2 4.37Å |
| 195 | L | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.3 | -66.4 | 176.7 | 0 | 0 | 0 | 111.7 | R114 I137 I191 I193 L197 L198 D199 L292 | R114-L195 HydrophobicContact CG-CD1 3.81Å; I137-L195 HydrophobicContact CD1-CD1 3.9Å; I137-L195 HydrophobicContact CG1-CD1 4.12Å; I137-L195 HydrophobicContact CG2-CD1 4.04Å; I191-L195 HydrophobicContact CD1-CD1 4.42Å; I191-L195 HydrophobicContact CD1-CG 4.29Å; I191-L195 HydrophobicContact CG1-CD1 4.33Å; I191-L195 WeakPolarHBondContact O-CG 3.2Å; I191-L195 PolarHBondContact O-N 2.66Å; I193-L195 PolarHBondContact O-N 2.83Å; L195-L197 VanDerWaalsContact C-N 3.27Å; L195-L197 PolarHBondContact O-N 2.79Å; L195-L198 PolarHBondContact O-N 2.8Å; L195-D199 PolarHBondContact O-N 3.39Å; L195-L292 HydrophobicContact CD2-CD2 4.01Å |
| 196 | K | 98.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 46 Ų | 46 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -33.6 | 175.8 | -175.2 | 58.7 | 173.2 | 175.5 | 0 | 112.5 | D192 I193 D199 K200 Y266 | D192-K196 WeakPolarHBondContact O-CB 3.33Å; D192-K196 PolarHBondContact O-N 3.43Å; I193-K196 PolarHBondContact O-N 2.82Å; K196-D199 CarbonylContact O-C 3.58Å; K196-D199 PolarHBondContact O-N 2.94Å; K196-K200 WeakPolarHBondContact O-CG 3.24Å; K196-K200 PolarHBondContact O-N 3.35Å; K196-Y266 HydrophobicContact CB-CD2 4.47Å; K196-Y266 HydrophobicContact CB-CE2 4.2Å; K196-Y266 HydrophobicContact CG-CD2 4.25Å; K196-Y266 HydrophobicContact CG-CE2 3.98Å |
| 197 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.6 | 179.5 | 159.8 | 0 | 0 | 0 | 111.3 | I193 C194 L195 D199 K200 V225 M228 I229 V237 W265 V288 | I193-L197 WeakPolarHBondContact O-CB 3.4Å; I193-L197 PolarHBondContact O-N 3.04Å; C194-L197 WeakPolarHBondContact O-CB 3.46Å; C194-L197 PolarHBondContact O-N 2.72Å; L195-L197 VanDerWaalsContact C-N 3.27Å; L195-L197 PolarHBondContact O-N 2.79Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 2.77Å; L197-K200 PolarHBondContact O-N 3.4Å; L197-K200 VanDerWaalsContact O-N 3.08Å; L197-V225 HydrophobicContact CD2-CG2 4.24Å; L197-M228 HydrophobicContact CD1-CB 4.49Å; L197-M228 HydrophobicContact CD2-CB 3.43Å; L197-M228 VanDerWaalsContact CD2-CB 3.43Å; L197-M228 HydrophobicContact CD2-CG 3.89Å; L197-M228 HydrophobicContact CG-CB 3.9Å; L197-M228 HydrophobicContact CG-CE 4.12Å; L197-M228 HydrophobicContact CG-CG 4.42Å; L197-I229 HydrophobicContact CD1-CD1 3.93Å; L197-V237 HydrophobicContact CD1-CG2 3.55Å; L197-V237 HydrophobicContact CG-CG2 4.46Å; L197-W265 HydrophobicContact CB-CH2 4.09Å; L197-W265 HydrophobicContact CB-CZ3 4.23Å; L197-V288 HydrophobicContact CD1-CG2 4.11Å |
| 198 | L | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 174.1 | -59.7 | 178.4 | 0 | 0 | 0 | 111.8 | C194 L195 K200 S201 R215 V221 V224 V225 L292 | C194-L198 PolarHBondContact O-N 3.16Å; L195-L198 PolarHBondContact O-N 2.8Å; L198-K200 PolarHBondContact O-N 2.84Å; L198-K200 VanDerWaalsContact O-N 3.16Å; L198-S201 PolarHBondContact O-N 2.6Å; L198-S201 PolarHBondContact O-OG 2.96Å; L198-R215 PolarHBondContact O-NH2 2.72Å; L198-V221 HydrophobicContact CD2-CG1 4.26Å; L198-V224 HydrophobicContact CD2-CG1 3.97Å; L198-V225 HydrophobicContact CD2-CG2 3.74Å; L198-L292 HydrophobicContact CD1-CD1 4.24Å; L198-L292 HydrophobicContact CD1-CD2 4.36Å; L198-L292 HydrophobicContact CD2-CD1 4.49Å |
| 199 | D | 97.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -0.1 | 177.3 | -56.1 | -21.3 | 0 | 0 | 0 | 113.8 | L195 K196 L197 F204 R215 | L195-D199 PolarHBondContact O-N 3.39Å; K196-D199 CarbonylContact O-C 3.58Å; K196-D199 PolarHBondContact O-N 2.94Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 2.77Å; D199-F204 HydrophobicContact CB-CD1 4.18Å; D199-F204 HydrophobicContact CB-CE1 4.04Å; D199-F204 HydrophobicContact CB-CG 4.5Å; D199-F204 HydrophobicContact CB-CZ 4.21Å; D199-F204 WeakPolarHBondContact O-CD1 3.26Å; D199-R215 IonicContact OD1-CZ 2.66Å; D199-R215 VanDerWaalsContact OD1-CZ 3.26Å; D199-R215 IonicContact OD1-NH1 3.82Å; D199-R215 PolarHBondContact OD1-NH1 2.99Å; D199-R215 IonicContact OD1-NH2 2.68Å; D199-R215 PolarHBondContact OD1-NH2 3.33Å |
| 200 | K | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 32% | 0.317 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -4.2 | 176.6 | -74.8 | -65 | -171.3 | 176.5 | 0 | 113.4 | K196 L197 L198 Q205 M228 W265 C270 | K196-K200 WeakPolarHBondContact O-CG 3.24Å; K196-K200 PolarHBondContact O-N 3.35Å; L197-K200 PolarHBondContact O-N 3.4Å; L197-K200 VanDerWaalsContact O-N 3.08Å; L198-K200 PolarHBondContact O-N 2.84Å; L198-K200 VanDerWaalsContact O-N 3.16Å; K200-Q205 PolarHBondContact O-NE2 2.96Å; K200-M228 HydrophobicContact CB-CE 3.59Å; K200-M228 HydrophobicContact CB-SD 4.45Å; K200-W265 HydrophobicContact CB-CH2 4.37Å; K200-W265 HydrophobicContact CB-CZ2 4.38Å; K200-W265 HydrophobicContact CG-CH2 4.12Å; K200-W265 HydrophobicContact CG-CZ2 4.3Å; K200-C270 HydrophobicContact CG-CB 4.47Å |
| 201 | S | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -60.8 | 152 | 176.2 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | L198 H203 F204 Q205 D211 M228 D234 | L198-S201 PolarHBondContact O-N 2.6Å; L198-S201 PolarHBondContact O-OG 2.96Å; S201-H203 PolarHBondContact O-N 2.85Å; S201-F204 PolarHBondContact O-N 2.73Å; S201-F204 WeakPolarHBondContact OG-CB 3.38Å; S201-F204 PolarHBondContact OG-N 2.98Å; S201-Q205 WeakPolarHBondContact O-CG 3.4Å; S201-Q205 PolarHBondContact O-N 3.34Å; S201-D211 PolarHBondContact OG-OD1 2.83Å; S201-M228 WeakPolarHBondContact CA-SD 3.42Å; S201-D234 WeakPolarHBondContact CA-OD2 3.48Å |
| 202 | L | 95.9 | Very high | 97.8 | Very high | 67 Ų | 67 | 41.5 Ų | 41.5 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58 | -34.1 | 170.9 | -77.2 | 177.6 | 0 | 0 | 0 | 111.7 | Q205 T206 D233 D234 | L202-Q205 PolarHBondContact O-N 2.83Å; L202-T206 WeakPolarHBondContact O-CB 3.33Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 PolarHBondContact O-OG1 2.83Å; L202-D233 HydrophobicContact CD1-CB 4.21Å; L202-D234 WeakPolarHBondContact CD1-OD1 3.34Å; L202-D234 HydrophobicContact CG-CB 4.25Å; L202-D234 WeakPolarHBondContact CG-OD1 3.45Å; L202-D234 PolarHBondContact N-OD2 2.96Å |
| 203 | H | 96 | Very high | 97.8 | Very high | 99 Ų | 99 | 40 Ų | 40 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 177 | -67.1 | -67.3 | 0 | 0 | 0 | 112.2 | S201 T206 D207 D211 Y220 | S201-H203 PolarHBondContact O-N 2.85Å; H203-T206 PolarHBondContact O-N 3.37Å; H203-D207 CarbonylContact O-C 3.55Å; H203-D207 PolarHBondContact O-N 2.89Å; H203-D211 HydrophobicContact CB-CB 4.43Å; H203-Y220 VanDerWaalsContact CB-OH 3.24Å; H203-Y220 WeakPolarHBondContact CB-OH 3.43Å |
| 204 | F | 97.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 177.2 | -177.5 | -91.8 | 0 | 0 | 0 | 112.1 | P65 D199 S201 T206 P208 D211 | P65-F204 HydrophobicContact CG-CE2 4.19Å; P65-F204 HydrophobicContact CG-CZ 4.02Å; D199-F204 HydrophobicContact CB-CD1 4.18Å; D199-F204 HydrophobicContact CB-CE1 4.04Å; D199-F204 HydrophobicContact CB-CG 4.5Å; D199-F204 HydrophobicContact CB-CZ 4.21Å; D199-F204 WeakPolarHBondContact O-CD1 3.26Å; S201-F204 PolarHBondContact O-N 2.73Å; S201-F204 WeakPolarHBondContact OG-CB 3.38Å; S201-F204 PolarHBondContact OG-N 2.98Å; F204-T206 PolarHBondContact O-N 3.38Å; F204-P208 HydrophobicContact CD1-CB 4.44Å; F204-P208 HydrophobicContact CD2-CB 3.83Å; F204-P208 HydrophobicContact CE1-CB 4.26Å; F204-P208 HydrophobicContact CE2-CB 3.64Å; F204-P208 HydrophobicContact CG-CB 4.26Å; F204-P208 HydrophobicContact CZ-CB 3.88Å; F204-P208 WeakPolarHBondContact O-CA 3.46Å; F204-P208 WeakPolarHBondContact O-CB 3.47Å; F204-P208 VanDerWaalsContact O-CD 3.32Å; F204-P208 WeakPolarHBondContact O-CD 3.24Å; F204-D211 HydrophobicContact CB-CB 4.18Å; F204-D211 HydrophobicContact CD2-CB 4.35Å |
| 205 | Q | 96.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 44.1 Ų | 44.1 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.5 | -30.7 | 177.9 | -68.8 | -177.6 | 58.6 | 0 | 0 | 112.4 | K200 S201 L202 | K200-Q205 PolarHBondContact O-NE2 2.96Å; S201-Q205 WeakPolarHBondContact O-CG 3.4Å; S201-Q205 PolarHBondContact O-N 3.34Å; L202-Q205 PolarHBondContact O-N 2.83Å |
| 206 | T | 96.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 73% | 0.73 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -83.5 | -50.4 | -179.3 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | L202 H203 F204 | L202-T206 WeakPolarHBondContact O-CB 3.33Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 PolarHBondContact O-OG1 2.83Å; H203-T206 PolarHBondContact O-N 3.37Å; F204-T206 PolarHBondContact O-N 3.38Å |
| 207 | D | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | -144.9 | 88.1 | -179.4 | -175.7 | -9.7 | 0 | 0 | 0 | 110.1 | H203 A209 T210 D211 | H203-D207 CarbonylContact O-C 3.55Å; H203-D207 PolarHBondContact O-N 2.89Å; D207-A209 VanDerWaalsContact C-N 3.27Å; D207-A209 PolarHBondContact O-N 3.21Å; D207-A209 PolarHBondContact OD1-N 2.91Å; D207-T210 VanDerWaalsContact CG-CB 3.47Å; D207-T210 VanDerWaalsContact CG-OG1 3.24Å; D207-T210 PolarHBondContact O-N 3.45Å; D207-T210 PolarHBondContact OD1-N 2.88Å; D207-T210 VanDerWaalsContact OD1-N 3.1Å; D207-T210 PolarHBondContact OD1-OG1 2.98Å; D207-T210 WeakPolarHBondContact OD2-CB 3.17Å; D207-T210 PolarHBondContact OD2-OG1 3.44Å; D207-D211 WeakPolarHBondContact O-CB 3.24Å; D207-D211 PolarHBondContact O-N 3.21Å | ||
| 208 | P | 97.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -25.7 | -175.5 | 25.6 | -33.5 | 0 | 0 | 0 | 113.2 | P65 L66 F204 C212 | P65-P208 HydrophobicContact CG-CB 3.78Å; P65-P208 HydrophobicContact CG-CG 4.34Å; L66-P208 HydrophobicContact CD1-CG 4.35Å; F204-P208 HydrophobicContact CD1-CB 4.44Å; F204-P208 HydrophobicContact CD2-CB 3.83Å; F204-P208 HydrophobicContact CE1-CB 4.26Å; F204-P208 HydrophobicContact CE2-CB 3.64Å; F204-P208 HydrophobicContact CG-CB 4.26Å; F204-P208 HydrophobicContact CZ-CB 3.88Å; F204-P208 WeakPolarHBondContact O-CA 3.46Å; F204-P208 WeakPolarHBondContact O-CB 3.47Å; F204-P208 VanDerWaalsContact O-CD 3.32Å; F204-P208 WeakPolarHBondContact O-CD 3.24Å; P208-C212 WeakPolarHBondContact O-CB 3.4Å; P208-C212 PolarHBondContact O-N 2.91Å; P208-C212 VanDerWaalsContact O-N 3.15Å; P208-C212 PolarHBondContact O-SG 3.02Å |
| 209 | A | 97.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 44 Ų | 44 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -48.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L66 L71 D207 A213 | L66-A209 HydrophobicContact CB-CB 4.04Å; L66-A209 HydrophobicContact CD1-CB 4.1Å; L71-A209 HydrophobicContact CD1-CB 4.37Å; D207-A209 VanDerWaalsContact C-N 3.27Å; D207-A209 PolarHBondContact O-N 3.21Å; D207-A209 PolarHBondContact OD1-N 2.91Å; A209-A213 PolarHBondContact O-N 2.95Å; A209-A213 VanDerWaalsContact O-N 3.14Å |
| 210 | T | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68 | -43.6 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | D207 C212 A213 L214 | D207-T210 VanDerWaalsContact CG-CB 3.47Å; D207-T210 VanDerWaalsContact CG-OG1 3.24Å; D207-T210 PolarHBondContact O-N 3.45Å; D207-T210 PolarHBondContact OD1-N 2.88Å; D207-T210 VanDerWaalsContact OD1-N 3.1Å; D207-T210 PolarHBondContact OD1-OG1 2.98Å; D207-T210 WeakPolarHBondContact OD2-CB 3.17Å; D207-T210 PolarHBondContact OD2-OG1 3.44Å; T210-C212 PolarHBondContact O-N 3Å; T210-A213 PolarHBondContact O-N 2.9Å; T210-L214 HydrophobicContact CG2-CD1 3.8Å; T210-L214 HydrophobicContact CG2-CG 4.24Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.19Å; T210-L214 PolarHBondContact O-N 3.18Å |
| 211 | D | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -51.7 | 176.6 | 173.4 | 98.4 | 0 | 0 | 0 | 111.1 | S201 H203 F204 D207 A213 L214 R215 Y220 | S201-D211 PolarHBondContact OG-OD1 2.83Å; H203-D211 HydrophobicContact CB-CB 4.43Å; F204-D211 HydrophobicContact CB-CB 4.18Å; F204-D211 HydrophobicContact CD2-CB 4.35Å; D207-D211 WeakPolarHBondContact O-CB 3.24Å; D207-D211 PolarHBondContact O-N 3.21Å; D211-A213 VanDerWaalsContact C-N 3.31Å; D211-A213 PolarHBondContact O-N 3.49Å; D211-L214 PolarHBondContact O-N 3.36Å; D211-L214 VanDerWaalsContact O-N 3.1Å; D211-R215 WeakPolarHBondContact O-CG 3.4Å; D211-R215 PolarHBondContact O-N 2.81Å; D211-R215 VanDerWaalsContact O-N 3.15Å; D211-R215 IonicContact OD2-CZ 3.4Å; D211-R215 IonicContact OD2-NE 3.77Å; D211-R215 PolarHBondContact OD2-NE 3.24Å; D211-R215 IonicContact OD2-NH2 3.42Å; D211-R215 PolarHBondContact OD2-NH2 3.13Å; D211-Y220 PolarHBondContact OD1-OH 2.95Å |
| 212 | C | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.6 | -77.6 | 0 | 0 | 0 | 0 | 113.1 | T73 A111 P208 T210 L214 R215 | T73-C212 HydrophobicContact CG2-CB 4.1Å; A111-C212 VanDerWaalsContact CB-O 3.31Å; A111-C212 WeakPolarHBondContact CB-O 3.49Å; P208-C212 WeakPolarHBondContact O-CB 3.4Å; P208-C212 PolarHBondContact O-N 2.91Å; P208-C212 VanDerWaalsContact O-N 3.15Å; P208-C212 PolarHBondContact O-SG 3.02Å; T210-C212 PolarHBondContact O-N 3Å; C212-L214 VanDerWaalsContact C-N 3.35Å; C212-R215 WeakPolarHBondContact O-CB 3.03Å; C212-R215 PolarHBondContact O-N 3.48Å |
| 213 | A | 98.1 | Very high | 98 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 T73 A209 T210 D211 R215 | L71-A213 HydrophobicContact CB-CB 3.88Å; T73-A213 HydrophobicContact CG2-CB 4.03Å; A209-A213 PolarHBondContact O-N 2.95Å; A209-A213 VanDerWaalsContact O-N 3.14Å; T210-A213 PolarHBondContact O-N 2.9Å; D211-A213 VanDerWaalsContact C-N 3.31Å; D211-A213 PolarHBondContact O-N 3.49Å; A213-R215 VanDerWaalsContact C-N 3.27Å; A213-R215 PolarHBondContact O-N 3.07Å |
| 214 | L | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 40% | 0.398 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.3 | -13.6 | 179.8 | -68.4 | 175 | 0 | 0 | 0 | 113.7 | T210 D211 C212 G216 S217 Y220 | T210-L214 HydrophobicContact CG2-CD1 3.8Å; T210-L214 HydrophobicContact CG2-CG 4.24Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.19Å; T210-L214 PolarHBondContact O-N 3.18Å; D211-L214 PolarHBondContact O-N 3.36Å; D211-L214 VanDerWaalsContact O-N 3.1Å; C212-L214 VanDerWaalsContact C-N 3.35Å; L214-G216 PolarHBondContact O-N 2.82Å; L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.28Å; L214-Y220 HydrophobicContact CB-CD1 3.47Å; L214-Y220 VanDerWaalsContact CB-CD1 3.47Å; L214-Y220 HydrophobicContact CB-CD2 4.01Å; L214-Y220 HydrophobicContact CB-CE1 3.51Å; L214-Y220 HydrophobicContact CB-CE2 4.07Å; L214-Y220 HydrophobicContact CB-CG 3.71Å; L214-Y220 HydrophobicContact CD1-CD2 3.98Å; L214-Y220 HydrophobicContact CD1-CE1 4.46Å; L214-Y220 HydrophobicContact CD1-CE2 3.63Å; L214-Y220 WeakPolarHBondContact O-CD1 3.37Å |
| 215 | R | 98.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -5.9 | 173.9 | -67.5 | 175.6 | -165.9 | -166.4 | 1 | 113.9 | A111 V112 L198 D199 D211 C212 A213 S217 V221 | A111-R215 HydrophobicContact CB-CB 4.25Å; V112-R215 HydrophobicContact CG2-CB 4.3Å; V112-R215 PolarHBondContact N-O 2.75Å; L198-R215 PolarHBondContact O-NH2 2.72Å; D199-R215 IonicContact OD1-CZ 2.66Å; D199-R215 VanDerWaalsContact OD1-CZ 3.26Å; D199-R215 IonicContact OD1-NH1 3.82Å; D199-R215 PolarHBondContact OD1-NH1 2.99Å; D199-R215 IonicContact OD1-NH2 2.68Å; D199-R215 PolarHBondContact OD1-NH2 3.33Å; D211-R215 WeakPolarHBondContact O-CG 3.4Å; D211-R215 PolarHBondContact O-N 2.81Å; D211-R215 VanDerWaalsContact O-N 3.15Å; D211-R215 IonicContact OD2-CZ 3.4Å; D211-R215 IonicContact OD2-NE 3.77Å; D211-R215 PolarHBondContact OD2-NE 3.24Å; D211-R215 IonicContact OD2-NH2 3.42Å; D211-R215 PolarHBondContact OD2-NH2 3.13Å; C212-R215 WeakPolarHBondContact O-CB 3.03Å; C212-R215 PolarHBondContact O-N 3.48Å; A213-R215 VanDerWaalsContact C-N 3.27Å; A213-R215 PolarHBondContact O-N 3.07Å; R215-S217 VanDerWaalsContact C-N 3.26Å; R215-V221 HydrophobicContact CB-CG2 4.22Å; R215-V221 HydrophobicContact CG-CG2 4.39Å |
| 216 | G | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114 | R35 L214 | R35-G216 PolarHBondContact NH1-O 2.81Å; L214-G216 PolarHBondContact O-N 2.82Å |
| 217 | S | 98.7 | Very high | 98.4 | Very high | 45 Ų | 45 | 21.9 Ų | 21.9 | 32% | 0.315 | 13% | 0.129 | S | C | . | . | trans | -99.2 | 120 | -178.6 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L214 R215 V219 Y220 V221 | L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.28Å; R215-S217 VanDerWaalsContact C-N 3.26Å; S217-V219 PolarHBondContact O-N 3.06Å; S217-V219 PolarHBondContact OG-N 3.29Å; S217-Y220 PolarHBondContact O-N 3.09Å; S217-Y220 PolarHBondContact OG-N 3.2Å; S217-V221 WeakPolarHBondContact O-CG2 3.41Å; S217-V221 PolarHBondContact O-N 3.45Å | ||
| 218 | P | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.4 | -28.5 | 174.7 | 28.1 | -34.4 | 0 | 0 | 0 | 111.9 | F140 A148 V149 S222 I294 M344 | F140-P218 HydrophobicContact CD1-CB 4.41Å; F140-P218 HydrophobicContact CE1-CB 3.85Å; F140-P218 HydrophobicContact CE1-CG 4.35Å; F140-P218 HydrophobicContact CZ-CB 4.12Å; A148-P218 HydrophobicContact CB-CG 3.73Å; V149-P218 HydrophobicContact CG1-CB 3.61Å; V149-P218 HydrophobicContact CG1-CG 3.95Å; P218-S222 WeakPolarHBondContact O-CB 3.45Å; P218-S222 PolarHBondContact O-N 3.32Å; P218-S222 PolarHBondContact O-OG 3.41Å; P218-I294 HydrophobicContact CB-CD1 4.18Å; P218-M344 HydrophobicContact CB-CB 4.23Å; P218-M344 HydrophobicContact CB-SD 4.18Å; P218-M344 HydrophobicContact CG-CB 4.03Å; P218-M344 HydrophobicContact CG-SD 4.43Å |
| 219 | V | 98.7 | Very high | 98.5 | Very high | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.079 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | S217 S222 R223 M344 P375 Y390 | S217-V219 PolarHBondContact O-N 3.06Å; S217-V219 PolarHBondContact OG-N 3.29Å; V219-S222 PolarHBondContact O-N 3.33Å; V219-R223 PolarHBondContact O-N 2.84Å; V219-M344 HydrophobicContact CB-SD 4.48Å; V219-M344 HydrophobicContact CG2-SD 3.78Å; V219-P375 HydrophobicContact CB-CG 4.42Å; V219-P375 HydrophobicContact CG1-CG 3.8Å; V219-P375 HydrophobicContact CG2-CG 4.49Å; V219-Y390 HydrophobicContact CG1-CE2 3.87Å |
| 220 | Y | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 16.3 Ų | 16.3 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.2 | -52.8 | 179.2 | 178.2 | -101.7 | 0 | 0 | 0 | 111.7 | H203 D211 L214 S217 S222 R223 V224 | H203-Y220 VanDerWaalsContact CB-OH 3.24Å; H203-Y220 WeakPolarHBondContact CB-OH 3.43Å; D211-Y220 PolarHBondContact OD1-OH 2.95Å; L214-Y220 HydrophobicContact CB-CD1 3.47Å; L214-Y220 VanDerWaalsContact CB-CD1 3.47Å; L214-Y220 HydrophobicContact CB-CD2 4.01Å; L214-Y220 HydrophobicContact CB-CE1 3.51Å; L214-Y220 HydrophobicContact CB-CE2 4.07Å; L214-Y220 HydrophobicContact CB-CG 3.71Å; L214-Y220 HydrophobicContact CD1-CD2 3.98Å; L214-Y220 HydrophobicContact CD1-CE1 4.46Å; L214-Y220 HydrophobicContact CD1-CE2 3.63Å; L214-Y220 WeakPolarHBondContact O-CD1 3.37Å; S217-Y220 PolarHBondContact O-N 3.09Å; S217-Y220 PolarHBondContact OG-N 3.2Å; Y220-S222 PolarHBondContact O-N 2.85Å; Y220-R223 PolarHBondContact O-N 2.88Å; Y220-R223 VanDerWaalsContact O-N 3.09Å; Y220-V224 HydrophobicContact CD1-CG2 4.1Å; Y220-V224 HydrophobicContact CD2-CG2 4.47Å; Y220-V224 HydrophobicContact CE1-CG2 3.67Å; Y220-V224 HydrophobicContact CE2-CG2 4.07Å; Y220-V224 HydrophobicContact CG-CG2 4.49Å; Y220-V224 WeakPolarHBondContact O-CG2 3.3Å; Y220-V224 PolarHBondContact O-N 3.48Å |
| 221 | V | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.8 | -39.3 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | V112 F140 L198 R215 S217 R223 V224 V225 L292 I294 | V112-V221 HydrophobicContact CG2-CG2 4.43Å; F140-V221 HydrophobicContact CE2-CB 4.17Å; F140-V221 HydrophobicContact CE2-CG1 4.13Å; F140-V221 HydrophobicContact CE2-CG2 4.04Å; F140-V221 HydrophobicContact CZ-CB 4.22Å; F140-V221 HydrophobicContact CZ-CG2 3.9Å; L198-V221 HydrophobicContact CD2-CG1 4.26Å; R215-V221 HydrophobicContact CB-CG2 4.22Å; R215-V221 HydrophobicContact CG-CG2 4.39Å; S217-V221 WeakPolarHBondContact O-CG2 3.41Å; S217-V221 PolarHBondContact O-N 3.45Å; V221-R223 PolarHBondContact O-N 3.03Å; V221-V224 PolarHBondContact O-N 3.11Å; V221-V225 HydrophobicContact CG1-CG2 4.16Å; V221-V225 WeakPolarHBondContact O-CB 3.42Å; V221-V225 VanDerWaalsContact O-CG2 3.32Å; V221-V225 WeakPolarHBondContact O-CG2 3.12Å; V221-V225 PolarHBondContact O-N 2.85Å; V221-L292 HydrophobicContact CG1-CD1 3.87Å; V221-I294 HydrophobicContact CG1-CD1 4.22Å |
| 222 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 180 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | P218 V219 Y220 C226 M344 L359 | P218-S222 WeakPolarHBondContact O-CB 3.45Å; P218-S222 PolarHBondContact O-N 3.32Å; P218-S222 PolarHBondContact O-OG 3.41Å; V219-S222 PolarHBondContact O-N 3.33Å; Y220-S222 PolarHBondContact O-N 2.85Å; S222-C226 VanDerWaalsContact O-CB 3.22Å; S222-C226 WeakPolarHBondContact O-CB 3.17Å; S222-C226 PolarHBondContact O-N 3.31Å; S222-M344 VanDerWaalsContact OG-CE 3.29Å; S222-M344 WeakPolarHBondContact OG-CE 3.36Å; S222-L359 WeakPolarHBondContact O-CD2 3.37Å |
| 223 | R | 98.2 | Very high | 97.9 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 174.8 | -71.7 | -169.8 | 63.5 | 93.7 | -6.9 | 112.5 | V219 Y220 V221 V225 C226 A227 S367 C372 G374 D391 | V219-R223 PolarHBondContact O-N 2.84Å; Y220-R223 PolarHBondContact O-N 2.88Å; Y220-R223 VanDerWaalsContact O-N 3.09Å; V221-R223 PolarHBondContact O-N 3.03Å; R223-V225 PolarHBondContact O-N 2.81Å; R223-C226 WeakPolarHBondContact O-CB 3.43Å; R223-C226 PolarHBondContact O-N 3.17Å; R223-A227 PolarHBondContact O-N 3.49Å; R223-S367 PolarHBondContact NH2-OG 3.36Å; R223-C372 PolarHBondContact O-SG 3.31Å; R223-G374 VanDerWaalsContact CG-O 3.3Å; R223-G374 WeakPolarHBondContact CG-O 3.36Å; R223-G374 PolarHBondContact NH1-O 2.98Å; R223-D391 IonicContact NH1-OD2 3.69Å; R223-D391 PolarHBondContact NH1-OD2 2.73Å |
| 224 | V | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L198 Y220 V221 A227 M228 | L198-V224 HydrophobicContact CD2-CG1 3.97Å; Y220-V224 HydrophobicContact CD1-CG2 4.1Å; Y220-V224 HydrophobicContact CD2-CG2 4.47Å; Y220-V224 HydrophobicContact CE1-CG2 3.67Å; Y220-V224 HydrophobicContact CE2-CG2 4.07Å; Y220-V224 HydrophobicContact CG-CG2 4.49Å; Y220-V224 WeakPolarHBondContact O-CG2 3.3Å; Y220-V224 PolarHBondContact O-N 3.48Å; V221-V224 PolarHBondContact O-N 3.11Å; V224-A227 PolarHBondContact O-N 3.09Å; V224-M228 HydrophobicContact CG1-CG 4.42Å; V224-M228 VanDerWaalsContact O-CB 3.31Å; V224-M228 WeakPolarHBondContact O-CB 3.49Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 2.81Å |
| 225 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | L197 L198 V221 R223 A227 M228 I229 M285 V288 M289 L292 | L197-V225 HydrophobicContact CD2-CG2 4.24Å; L198-V225 HydrophobicContact CD2-CG2 3.74Å; V221-V225 HydrophobicContact CG1-CG2 4.16Å; V221-V225 WeakPolarHBondContact O-CB 3.42Å; V221-V225 VanDerWaalsContact O-CG2 3.32Å; V221-V225 WeakPolarHBondContact O-CG2 3.12Å; V221-V225 PolarHBondContact O-N 2.85Å; R223-V225 PolarHBondContact O-N 2.81Å; V225-A227 PolarHBondContact O-N 2.96Å; V225-M228 PolarHBondContact O-N 2.94Å; V225-M228 VanDerWaalsContact O-N 3.1Å; V225-I229 HydrophobicContact CG1-CD1 3.88Å; V225-I229 HydrophobicContact CG1-CG1 4.11Å; V225-I229 VanDerWaalsContact O-CG1 3.22Å; V225-I229 WeakPolarHBondContact O-CG1 3.3Å; V225-I229 PolarHBondContact O-N 2.64Å; V225-M285 HydrophobicContact CG1-CG 4.2Å; V225-V288 HydrophobicContact CG1-CB 4.05Å; V225-V288 HydrophobicContact CG1-CG1 3.72Å; V225-V288 HydrophobicContact CG2-CG1 3.89Å; V225-M289 HydrophobicContact CB-CE 3.76Å; V225-M289 HydrophobicContact CB-SD 4.16Å; V225-M289 HydrophobicContact CG1-CE 3.72Å; V225-M289 HydrophobicContact CG1-SD 4.06Å; V225-M289 HydrophobicContact CG2-SD 4.34Å; V225-L292 HydrophobicContact CG2-CD1 4.15Å |
| 226 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -51.8 | -50.9 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | S222 R223 M285 L359 D360 C373 | S222-C226 VanDerWaalsContact O-CB 3.22Å; S222-C226 WeakPolarHBondContact O-CB 3.17Å; S222-C226 PolarHBondContact O-N 3.31Å; R223-C226 WeakPolarHBondContact O-CB 3.43Å; R223-C226 PolarHBondContact O-N 3.17Å; C226-M285 HydrophobicContact CB-CE 3.63Å; C226-L359 HydrophobicContact CB-CD2 4.01Å; C226-D360 PolarHBondContact SG-O 2.86Å; C226-C373 PolarHBondContact SG-O 3.23Å; C226-C373 VanDerWaalsContact SG-O 3.35Å |
| 227 | A | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 7% | 0.066 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R223 V224 V225 I229 N230 V370 C372 | R223-A227 PolarHBondContact O-N 3.49Å; V224-A227 PolarHBondContact O-N 3.09Å; V225-A227 PolarHBondContact O-N 2.96Å; A227-I229 VanDerWaalsContact C-N 3.29Å; A227-I229 PolarHBondContact O-N 2.81Å; A227-N230 PolarHBondContact O-N 2.72Å; A227-N230 PolarHBondContact O-ND2 3.19Å; A227-N230 VanDerWaalsContact O-O 3.12Å; A227-V370 HydrophobicContact CB-CG1 3.92Å; A227-C372 HydrophobicContact CB-CB 4.05Å |
| 228 | M | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.1 | -19.1 | -176 | -81.7 | -61 | -56 | 0 | 0 | 114.9 | L197 K200 S201 V224 V225 N230 D234 G236 V237 W265 | L197-M228 HydrophobicContact CD1-CB 4.49Å; L197-M228 HydrophobicContact CD2-CB 3.43Å; L197-M228 VanDerWaalsContact CD2-CB 3.43Å; L197-M228 HydrophobicContact CD2-CG 3.89Å; L197-M228 HydrophobicContact CG-CB 3.9Å; L197-M228 HydrophobicContact CG-CE 4.12Å; L197-M228 HydrophobicContact CG-CG 4.42Å; K200-M228 HydrophobicContact CB-CE 3.59Å; K200-M228 HydrophobicContact CB-SD 4.45Å; S201-M228 WeakPolarHBondContact CA-SD 3.42Å; V224-M228 HydrophobicContact CG1-CG 4.42Å; V224-M228 VanDerWaalsContact O-CB 3.31Å; V224-M228 WeakPolarHBondContact O-CB 3.49Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 2.81Å; V225-M228 PolarHBondContact O-N 2.94Å; V225-M228 VanDerWaalsContact O-N 3.1Å; M228-N230 VanDerWaalsContact C-N 3.34Å; M228-D234 HydrophobicContact SD-CB 3.4Å; M228-D234 WeakPolarHBondContact SD-CB 3.05Å; M228-D234 VanDerWaalsContact SD-OD2 3.41Å; M228-G236 CarbonylContact O-C 3.6Å; M228-G236 WeakPolarHBondContact O-CA 3.41Å; M228-V237 PolarHBondContact O-N 2.77Å; M228-W265 HydrophobicContact CE-CZ2 4.14Å |
| 229 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.8 | -33.8 | 178.1 | -61.3 | -36.9 | 0 | 0 | 0 | 110.6 | L197 V225 A227 V237 L238 F281 V284 M285 V288 A361 | L197-I229 HydrophobicContact CD1-CD1 3.93Å; V225-I229 HydrophobicContact CG1-CD1 3.88Å; V225-I229 HydrophobicContact CG1-CG1 4.11Å; V225-I229 VanDerWaalsContact O-CG1 3.22Å; V225-I229 WeakPolarHBondContact O-CG1 3.3Å; V225-I229 PolarHBondContact O-N 2.64Å; A227-I229 VanDerWaalsContact C-N 3.29Å; A227-I229 PolarHBondContact O-N 2.81Å; I229-V237 HydrophobicContact CD1-CG2 4.46Å; I229-V237 PolarHBondContact O-N 3.37Å; I229-L238 HydrophobicContact CG2-CD1 4.37Å; I229-L238 WeakPolarHBondContact O-CB 3.39Å; I229-L238 PolarHBondContact O-N 3.48Å; I229-F281 HydrophobicContact CG2-CB 4.2Å; I229-F281 HydrophobicContact CG2-CD1 3.95Å; I229-F281 WeakPolarHBondContact CG2-O 3.42Å; I229-V284 HydrophobicContact CD1-CG1 4.2Å; I229-V284 HydrophobicContact CG2-CB 4.3Å; I229-V284 HydrophobicContact CG2-CG1 4.26Å; I229-M285 HydrophobicContact CG1-CB 3.8Å; I229-M285 HydrophobicContact CG1-CG 4.15Å; I229-V288 HydrophobicContact CD1-CG2 4.14Å; I229-A361 HydrophobicContact CB-CB 3.77Å; I229-A361 HydrophobicContact CG1-CB 4.25Å; I229-A361 HydrophobicContact CG2-CB 4.01Å |
| 230 | N | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -96.8 | 159.9 | 175.3 | 77.3 | 81.1 | 0 | 0 | 0 | 112.4 | A227 M228 N232 G236 L238 F281 A361 P363 Y371 | A227-N230 PolarHBondContact O-N 2.72Å; A227-N230 PolarHBondContact O-ND2 3.19Å; A227-N230 VanDerWaalsContact O-O 3.12Å; M228-N230 VanDerWaalsContact C-N 3.34Å; N230-N232 PolarHBondContact OD1-N 3.15Å; N230-N232 PolarHBondContact OD1-ND2 3.32Å; N230-G236 VanDerWaalsContact O-CA 3.29Å; N230-G236 WeakPolarHBondContact O-CA 3.35Å; N230-G236 PolarHBondContact O-N 3.21Å; N230-L238 CarbonylContact C-O 3.46Å; N230-L238 WeakPolarHBondContact CA-O 3.33Å; N230-F281 HydrophobicContact CB-CD1 4.07Å; N230-F281 HydrophobicContact CB-CE1 3.69Å; N230-A361 WeakPolarHBondContact CB-O 3.45Å; N230-A361 PolarHBondContact ND2-O 3.45Å; N230-P363 HydrophobicContact CB-CB 4.44Å; N230-P363 HydrophobicContact CB-CG 4.31Å; N230-Y371 PolarHBondContact ND2-O 3.04Å |
| 231 | S | 96.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 17.9 Ų | 17.9 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -97.6 | 6.3 | -171.8 | 79.3 | 0 | 0 | 0 | 0 | 115.7 | L238 N239 | S231-L238 WeakPolarHBondContact CB-O 3.34Å; S231-L238 PolarHBondContact N-O 3.06Å; S231-L238 PolarHBondContact OG-O 2.86Å; S231-N239 PolarHBondContact OG-ND2 2.85Å |
| 232 | N | 94.1 | Very high | 95.7 | Very high | 80 Ų | 80 | 20.5 Ų | 20.5 | 43% | 0.428 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -71.2 | -42.1 | -165.1 | -67 | -84.3 | 0 | 0 | 0 | 112.9 | N230 P363 Y371 | N230-N232 PolarHBondContact OD1-N 3.15Å; N230-N232 PolarHBondContact OD1-ND2 3.32Å; N232-P363 WeakPolarHBondContact ND2-CB 3.33Å; N232-P363 VanDerWaalsContact ND2-CG 3.27Å; N232-P363 WeakPolarHBondContact ND2-CG 3.36Å; N232-Y371 HydrophobicContact CB-CD2 3.41Å; N232-Y371 VanDerWaalsContact CB-CD2 3.41Å; N232-Y371 HydrophobicContact CB-CE2 3.91Å; N232-Y371 HydrophobicContact CB-CG 4.17Å |
| 233 | D | 92.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 24 Ų | 24 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -110.7 | -59.6 | -175.5 | -51.5 | -57.6 | 0 | 0 | 0 | 111 | L202 N235 V370 Y371 | L202-D233 HydrophobicContact CD1-CB 4.21Å; D233-N235 PolarHBondContact O-N 3.27Å; D233-V370 HydrophobicContact CB-CG1 4.3Å; D233-Y371 WeakPolarHBondContact OD2-CB 3.43Å; D233-Y371 WeakPolarHBondContact OD2-CD2 3.46Å; D233-Y371 PolarHBondContact OD2-N 3.14Å |
| 234 | D | 82.4 | Confident | 94.6 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -78.9 | 2.8 | -173.4 | -65.9 | 25.3 | 0 | 0 | 0 | 113.8 | S201 L202 M228 G236 | S201-D234 WeakPolarHBondContact CA-OD2 3.48Å; L202-D234 WeakPolarHBondContact CD1-OD1 3.34Å; L202-D234 HydrophobicContact CG-CB 4.25Å; L202-D234 WeakPolarHBondContact CG-OD1 3.45Å; L202-D234 PolarHBondContact N-OD2 2.96Å; M228-D234 HydrophobicContact SD-CB 3.4Å; M228-D234 WeakPolarHBondContact SD-CB 3.05Å; M228-D234 VanDerWaalsContact SD-OD2 3.41Å; D234-G236 PolarHBondContact O-N 3.14Å |
| 235 | N | 89.9 | Confident | 94.2 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | trans | 50.8 | 42.8 | -166.8 | -167.7 | 56.1 | 0 | 0 | 0 | 111.5 | D233 P272 | D233-N235 PolarHBondContact O-N 3.27Å; N235-P272 WeakPolarHBondContact OD1-CD 3.11Å; N235-P272 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 236 | G | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -67.2 | -156.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M228 N230 D234 W265 | M228-G236 CarbonylContact O-C 3.6Å; M228-G236 WeakPolarHBondContact O-CA 3.41Å; N230-G236 VanDerWaalsContact O-CA 3.29Å; N230-G236 WeakPolarHBondContact O-CA 3.35Å; N230-G236 PolarHBondContact O-N 3.21Å; D234-G236 PolarHBondContact O-N 3.14Å; G236-W265 PolarHBondContact O-NE1 2.88Å | ||
| 237 | V | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -71 | -49.6 | -162.8 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | L197 M228 I229 I261 L262 W265 V273 V284 | L197-V237 HydrophobicContact CD1-CG2 3.55Å; L197-V237 HydrophobicContact CG-CG2 4.46Å; M228-V237 PolarHBondContact O-N 2.77Å; I229-V237 HydrophobicContact CD1-CG2 4.46Å; I229-V237 PolarHBondContact O-N 3.37Å; V237-I261 HydrophobicContact CG1-CG2 3.87Å; V237-L262 HydrophobicContact CG1-CD2 4.22Å; V237-L262 HydrophobicContact CG2-CD2 4.4Å; V237-W265 HydrophobicContact CB-CG 4.46Å; V237-W265 HydrophobicContact CG1-CB 4.11Å; V237-W265 HydrophobicContact CG1-CG 4.15Å; V237-W265 HydrophobicContact CG2-CD2 4.2Å; V237-W265 HydrophobicContact CG2-CG 4.4Å; V237-V273 PolarHBondContact O-N 2.72Å; V237-V284 HydrophobicContact CG1-CG1 4.27Å |
| 238 | L | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.8 | -168.7 | -78.2 | 162.1 | 0 | 0 | 0 | 112.4 | I229 N230 S231 I261 V273 V280 F281 V284 | I229-L238 HydrophobicContact CG2-CD1 4.37Å; I229-L238 WeakPolarHBondContact O-CB 3.39Å; I229-L238 PolarHBondContact O-N 3.48Å; N230-L238 CarbonylContact C-O 3.46Å; N230-L238 WeakPolarHBondContact CA-O 3.33Å; S231-L238 WeakPolarHBondContact CB-O 3.34Å; S231-L238 PolarHBondContact N-O 3.06Å; S231-L238 PolarHBondContact OG-O 2.86Å; L238-I261 HydrophobicContact CD1-CG2 4.46Å; L238-I261 HydrophobicContact CD2-CD1 4.49Å; L238-I261 HydrophobicContact CD2-CG2 3.72Å; L238-I261 HydrophobicContact CG-CG2 4.03Å; L238-V273 HydrophobicContact CD2-CB 4.17Å; L238-V273 HydrophobicContact CD2-CG1 4.32Å; L238-V280 HydrophobicContact CD1-CB 4.41Å; L238-V280 HydrophobicContact CD1-CG1 3.73Å; L238-V280 HydrophobicContact CD2-CG1 4.14Å; L238-F281 HydrophobicContact CB-CD1 3.91Å; L238-F281 HydrophobicContact CB-CE1 3.41Å; L238-F281 VanDerWaalsContact CB-CE1 3.41Å; L238-F281 HydrophobicContact CB-CZ 4.13Å; L238-F281 HydrophobicContact CD1-CD1 3.97Å; L238-F281 HydrophobicContact CD1-CE1 4.28Å; L238-F281 HydrophobicContact CD1-CG 4.46Å; L238-V284 HydrophobicContact CD1-CB 4.32Å; L238-V284 HydrophobicContact CD1-CG2 4.01Å |
| 239 | N | 98.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.5 | 167.1 | -168.5 | -99.6 | 0 | 0 | 0 | 110.2 | S231 P272 V273 R274 Y275 G276 | S231-N239 PolarHBondContact OG-ND2 2.85Å; N239-P272 HydrophobicContact CB-CB 4.23Å; N239-V273 PolarHBondContact N-O 2.92Å; N239-R274 HydrophobicContact CB-CG 4.13Å; N239-Y275 HydrophobicContact CB-CD1 4.24Å; N239-Y275 HydrophobicContact CB-CE1 4.49Å; N239-Y275 CarbonylContact O-C 3.55Å; N239-Y275 WeakPolarHBondContact O-CA 3.07Å; N239-Y275 WeakPolarHBondContact O-CD1 3.23Å; N239-Y275 WeakPolarHBondContact OD1-CD1 3.35Å; N239-Y275 WeakPolarHBondContact OD1-CE1 3.33Å; N239-G276 PolarHBondContact O-N 3.39Å |
| 240 | G | 95.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 137.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G276 | G240-G276 WeakPolarHBondContact CA-O 3.41Å |
| 241 | N | 93.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | trans | -150.4 | 122.6 | 174.9 | -174.8 | 0.2 | 0 | 0 | 0 | 112.3 | S243 N245 Y246 Y275 G276 Q277 | N241-S243 VanDerWaalsContact OD1-CB 3.32Å; N241-S243 WeakPolarHBondContact OD1-CB 3.49Å; N241-S243 PolarHBondContact OD1-N 2.83Å; N241-S243 PolarHBondContact OD1-OG 3.08Å; N241-N245 PolarHBondContact ND2-O 2.61Å; N241-Y246 HydrophobicContact CB-CD1 4.42Å; N241-Y246 HydrophobicContact CB-CE1 4.1Å; N241-Y246 WeakPolarHBondContact O-CE1 3.12Å; N241-Y275 HydrophobicContact CB-CD1 3.36Å; N241-Y275 HydrophobicContact CB-CD2 4.31Å; N241-Y275 HydrophobicContact CB-CE1 3.82Å; N241-Y275 HydrophobicContact CB-CG 3.63Å; N241-G276 PolarHBondContact N-O 2.98Å; N241-Q277 PolarHBondContact O-NE2 3.29Å | ||
| 242 | W | 89.1 | Confident | 92.8 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 21% | 0.212 | 25% | 0.247 | C | C | . | . | trans | -116 | 12.2 | 179.2 | -71 | -100.8 | 0 | 0 | 0 | 113.2 | E244 Q277 F281 W334 T362 H550 | W242-E244 VanDerWaalsContact C-N 3.31Å; W242-E244 PolarHBondContact O-N 2.99Å; W242-Q277 HydrophobicContact CD2-CG 4.15Å; W242-Q277 HydrophobicContact CG-CG 4.28Å; W242-Q277 HydrophobicContact CZ2-CB 4.25Å; W242-Q277 HydrophobicContact CZ2-CG 4.24Å; W242-F281 AromaticContact CH2-CE2 3.76Å; W242-F281 HydrophobicContact CH2-CE2 3.76Å; W242-F281 HydrophobicContact CZ2-CE2 4.32Å; W242-W334 AromaticContact CE2-CH2 3.94Å; W242-W334 AromaticContact CZ2-CH2 3.98Å; W242-W334 HydrophobicContact CZ2-CH2 3.98Å; W242-W334 HydrophobicContact CZ2-CZ3 4.32Å; W242-W334 AromaticContact NE1-CH2 3.78Å; W242-W334 AromaticContact NE1-CZ3 3.81Å; W242-T362 HydrophobicContact CH2-CG2 3.93Å; W242-T362 HydrophobicContact CZ2-CG2 3.85Å; W242-H550 AromaticContact CD1-CD2 3.9Å; W242-H550 AromaticContact NE1-CD2 3.52Å | ||
| 243 | S | 86.4 | Confident | 92.7 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -80.2 | -4.3 | -175 | 68.1 | 0 | 0 | 0 | 0 | 115.3 | N241 N245 | N241-S243 VanDerWaalsContact OD1-CB 3.32Å; N241-S243 WeakPolarHBondContact OD1-CB 3.49Å; N241-S243 PolarHBondContact OD1-N 2.83Å; N241-S243 PolarHBondContact OD1-OG 3.08Å; S243-N245 PolarHBondContact O-N 2.93Å; S243-N245 VanDerWaalsContact O-N 3.09Å; S243-N245 PolarHBondContact OG-N 2.91Å; S243-N245 PolarHBondContact OG-O 3.27Å |
| 244 | E | 85.8 | Confident | 92.8 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 60.7 | 1.1 | -166.7 | -60.8 | -69.1 | 121.9 | 0 | 0 | 115.4 | W242 Y246 L549 T590 | W242-E244 VanDerWaalsContact C-N 3.31Å; W242-E244 PolarHBondContact O-N 2.99Å; E244-Y246 PolarHBondContact OE1-OH 3.45Å; E244-L549 HydrophobicContact CG-CD2 3.43Å; E244-L549 VanDerWaalsContact CG-CD2 3.43Å; E244-T590 WeakPolarHBondContact OE2-CB 3.48Å; E244-T590 PolarHBondContact OE2-N 2.92Å; E244-T590 VanDerWaalsContact OE2-N 3.08Å; E244-T590 PolarHBondContact OE2-OG1 3.38Å |
| 245 | N | 89.8 | Confident | 93.4 | Very high | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | trans | -101.5 | 110.7 | 171.4 | -176.9 | 4.3 | 0 | 0 | 0 | 110.4 | N241 S243 T247 | N241-N245 PolarHBondContact ND2-O 2.61Å; S243-N245 PolarHBondContact O-N 2.93Å; S243-N245 VanDerWaalsContact O-N 3.09Å; S243-N245 PolarHBondContact OG-N 2.91Å; S243-N245 PolarHBondContact OG-O 3.27Å; N245-T247 WeakPolarHBondContact OD1-CG2 3.03Å; N245-T247 PolarHBondContact OD1-N 2.94Å; N245-T247 PolarHBondContact OD1-OG1 2.97Å | ||
| 246 | Y | 92.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | trans | -121.8 | 25.5 | -178.3 | -47.4 | -67.6 | 0 | 0 | 0 | 112.3 | N241 E244 D248 G249 N251 P252 Y275 Q277 | N241-Y246 HydrophobicContact CB-CD1 4.42Å; N241-Y246 HydrophobicContact CB-CE1 4.1Å; N241-Y246 WeakPolarHBondContact O-CE1 3.12Å; E244-Y246 PolarHBondContact OE1-OH 3.45Å; Y246-D248 PolarHBondContact O-N 2.86Å; Y246-D248 VanDerWaalsContact O-N 3.14Å; Y246-G249 CarbonylContact O-C 3.59Å; Y246-G249 PolarHBondContact O-N 3.22Å; Y246-G249 VanDerWaalsContact O-N 3.07Å; Y246-N251 HydrophobicContact CD2-CB 3.74Å; Y246-N251 WeakPolarHBondContact CD2-ND2 3.16Å; Y246-N251 HydrophobicContact CE2-CB 4.33Å; Y246-N251 HydrophobicContact CG-CB 4.16Å; Y246-P252 HydrophobicContact CD1-CG 4.42Å; Y246-P252 HydrophobicContact CE1-CG 3.87Å; Y246-Y275 AromaticContact CD1-CD2 3.83Å; Y246-Y275 HydrophobicContact CD1-CD2 3.83Å; Y246-Y275 HydrophobicContact CD1-CG 4.32Å; Y246-Q277 PolarHBondContact OH-NE2 3.04Å | ||
| 247 | T | 92.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 35.6 Ų | 35.6 | 79% | 0.791 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.2 | -171.8 | 44.5 | 0 | 0 | 0 | 0 | 114.7 | N245 | N245-T247 WeakPolarHBondContact OD1-CG2 3.03Å; N245-T247 PolarHBondContact OD1-N 2.94Å; N245-T247 PolarHBondContact OD1-OG1 2.97Å |
| 248 | D | 95 | Very high | 93.7 | Very high | 87 Ų | 87 | 35.6 Ų | 35.6 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 13.2 | 178.3 | 69 | -41.2 | 0 | 0 | 0 | 113.6 | Y246 R274 Y275 | Y246-D248 PolarHBondContact O-N 2.86Å; Y246-D248 VanDerWaalsContact O-N 3.14Å; D248-R274 IonicContact OD2-CZ 2.78Å; D248-R274 IonicContact OD2-NH1 2.79Å; D248-R274 PolarHBondContact OD2-NH1 3.09Å; D248-Y275 VanDerWaalsContact CG-OH 3.23Å; D248-Y275 WeakPolarHBondContact OD1-CE2 3.49Å; D248-Y275 PolarHBondContact OD1-OH 2.88Å; D248-Y275 PolarHBondContact OD2-OH 3.36Å |
| 249 | G | 95.2 | Very high | 93.7 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -154.3 | -170.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y246 | Y246-G249 CarbonylContact O-C 3.59Å; Y246-G249 PolarHBondContact O-N 3.22Å; Y246-G249 VanDerWaalsContact O-N 3.07Å |
| 250 | A | 94.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 21% | 0.207 | 21% | 0.209 | C | C | . | . | trans | -83.9 | 137.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P252 W255 R274 Y275 | A250-P252 WeakPolarHBondContact O-CD 3.48Å; A250-W255 HydrophobicContact CB-CH2 4.18Å; A250-W255 HydrophobicContact CB-CZ2 3.49Å; A250-W255 VanDerWaalsContact CB-CZ2 3.49Å; A250-R274 PolarHBondContact N-O 2.89Å; A250-Y275 PolarHBondContact O-N 3.36Å; A250-Y275 VanDerWaalsContact O-N 3.14Å | ||
| 251 | N | 93.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | trans | -63.3 | 126.9 | 166.4 | -179.8 | -38.3 | 0 | 0 | 0 | 108.7 | Y246 A253 E254 | Y246-N251 HydrophobicContact CD2-CB 3.74Å; Y246-N251 WeakPolarHBondContact CD2-ND2 3.16Å; Y246-N251 HydrophobicContact CE2-CB 4.33Å; Y246-N251 HydrophobicContact CG-CB 4.16Å; N251-A253 PolarHBondContact O-N 3.37Å; N251-A253 VanDerWaalsContact O-N 3.07Å; N251-A253 WeakPolarHBondContact OD1-CB 3.11Å; N251-A253 PolarHBondContact OD1-N 2.89Å; N251-E254 HydrophobicContact CB-CG 4.06Å; N251-E254 WeakPolarHBondContact O-CB 3.49Å; N251-E254 PolarHBondContact O-N 2.75Å | ||
| 252 | P | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -52 | -31.3 | -179.4 | -29.3 | 35.9 | 0 | 0 | 0 | 115 | Y246 A250 E254 Q277 W279 V280 | Y246-P252 HydrophobicContact CD1-CG 4.42Å; Y246-P252 HydrophobicContact CE1-CG 3.87Å; A250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-E254 VanDerWaalsContact C-N 3.31Å; P252-E254 PolarHBondContact O-N 3.39Å; P252-Q277 HydrophobicContact CB-CB 4.11Å; P252-Q277 HydrophobicContact CB-CG 3.88Å; P252-Q277 HydrophobicContact CG-CG 3.83Å; P252-W279 HydrophobicContact CB-CZ2 4Å; P252-V280 HydrophobicContact CB-CG2 4.21Å |
| 253 | A | 92.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -74.5 | -18.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N251 W279 T590 D707 K709 | N251-A253 PolarHBondContact O-N 3.37Å; N251-A253 VanDerWaalsContact O-N 3.07Å; N251-A253 WeakPolarHBondContact OD1-CB 3.11Å; N251-A253 PolarHBondContact OD1-N 2.89Å; A253-W279 HydrophobicContact CB-CZ2 4.38Å; A253-T590 HydrophobicContact CB-CG2 3.44Å; A253-T590 VanDerWaalsContact CB-CG2 3.44Å; A253-D707 HydrophobicContact CB-CB 3.9Å; A253-D707 WeakPolarHBondContact O-CB 3.35Å; A253-K709 WeakPolarHBondContact O-CE 3.3Å; A253-K709 PolarHBondContact O-NZ 2.9Å |
| 254 | E | 93.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -75.4 | -25.1 | 179.2 | -70.5 | -177.2 | -158.6 | 0 | 0 | 112.7 | N251 P252 T256 R701 K709 | N251-E254 HydrophobicContact CB-CG 4.06Å; N251-E254 WeakPolarHBondContact O-CB 3.49Å; N251-E254 PolarHBondContact O-N 2.75Å; P252-E254 VanDerWaalsContact C-N 3.31Å; P252-E254 PolarHBondContact O-N 3.39Å; E254-T256 PolarHBondContact O-N 2.76Å; E254-R701 HydrophobicContact CG-CB 4.33Å; E254-R701 WeakPolarHBondContact OE1-CD 3.41Å; E254-R701 IonicContact OE1-NH1 3.76Å; E254-R701 WeakPolarHBondContact OE2-CD 3.48Å; E254-R701 IonicContact OE2-NE 3.23Å; E254-K709 PolarHBondContact O-NZ 3.01Å; E254-K709 VanDerWaalsContact O-NZ 3.11Å |
| 255 | W | 95.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | trans | -59 | 134.5 | 179 | -64.9 | 119.2 | 0 | 0 | 0 | 112.1 | W181 A250 A260 I261 V273 Y275 V280 K709 | W181-W255 HydrophobicContact CH2-CB 3.51Å; W181-W255 HydrophobicContact CH2-CG 4.5Å; W181-W255 HydrophobicContact CZ2-CB 4.45Å; W181-W255 HydrophobicContact CZ3-CB 3.95Å; W181-W255 WeakPolarHBondContact CZ3-O 3.1Å; A250-W255 HydrophobicContact CB-CH2 4.18Å; A250-W255 HydrophobicContact CB-CZ2 3.49Å; A250-W255 VanDerWaalsContact CB-CZ2 3.49Å; W255-A260 HydrophobicContact CZ3-CB 4.18Å; W255-I261 HydrophobicContact CB-CD1 4.44Å; W255-I261 HydrophobicContact CD2-CD1 3.8Å; W255-I261 HydrophobicContact CD2-CG1 3.74Å; W255-I261 HydrophobicContact CE3-CD1 4.08Å; W255-I261 HydrophobicContact CE3-CG1 3.62Å; W255-I261 HydrophobicContact CG-CD1 3.95Å; W255-I261 HydrophobicContact CG-CG1 4.43Å; W255-I261 HydrophobicContact CH2-CG1 3.94Å; W255-I261 HydrophobicContact CZ2-CG1 4.04Å; W255-I261 HydrophobicContact CZ3-CG1 3.73Å; W255-V273 HydrophobicContact CH2-CG1 4.07Å; W255-V273 HydrophobicContact CZ2-CG1 3.76Å; W255-Y275 PolarHBondContact NE1-O 3.4Å; W255-V280 HydrophobicContact CG-CG1 4.47Å; W255-K709 PolarHBondContact O-NZ 3.14Å | ||
| 256 | T | 95.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | -114.6 | -10.9 | 178.2 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | N182 E254 E658 Q697 N699 K709 | N182-T256 PolarHBondContact N-O 2.94Å; E254-T256 PolarHBondContact O-N 2.76Å; T256-E658 WeakPolarHBondContact CB-OE1 3.43Å; T256-E658 PolarHBondContact OG1-OE1 2.81Å; T256-Q697 PolarHBondContact O-OE1 3.07Å; T256-N699 HydrophobicContact CG2-CB 3.43Å; T256-N699 VanDerWaalsContact CG2-CB 3.43Å; T256-K709 HydrophobicContact CG2-CD 4.19Å | ||
| 257 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -169.5 | 162.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N182 | N182-G257 CarbonylContact O-C 3.56Å; N182-G257 WeakPolarHBondContact O-CA 3.45Å |
| 258 | S | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79.4 | -26.6 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | W181 N182 A260 I261 L262 A283 T287 | W181-S258 PolarHBondContact NE1-OG 3.33Å; N182-S258 PolarHBondContact O-N 3.05Å; S258-A260 PolarHBondContact O-N 3.12Å; S258-I261 PolarHBondContact O-N 3.04Å; S258-L262 PolarHBondContact O-N 3.05Å; S258-A283 PolarHBondContact OG-O 3.16Å; S258-A283 VanDerWaalsContact OG-O 3.12Å; S258-T287 WeakPolarHBondContact CB-OG1 3.37Å; S258-T287 PolarHBondContact OG-OG1 3.49Å |
| 259 | V | 98.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 9% | 0.085 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | -174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | E187 I190 I261 K263 | E187-V259 HydrophobicContact CB-CG1 4.08Å; E187-V259 HydrophobicContact CB-CG2 4.13Å; E187-V259 HydrophobicContact CG-CG1 4.38Å; E187-V259 HydrophobicContact CG-CG2 3.97Å; I190-V259 HydrophobicContact CD1-CB 4.48Å; I190-V259 HydrophobicContact CD1-CG1 4.19Å; V259-I261 PolarHBondContact O-N 3.46Å; V259-K263 HydrophobicContact CG1-CD 3.98Å; V259-K263 WeakPolarHBondContact O-CB 3.49Å; V259-K263 WeakPolarHBondContact O-CG 3.22Å; V259-K263 PolarHBondContact O-N 3.33Å |
| 260 | A | 97.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | W255 S258 Q264 | W255-A260 HydrophobicContact CZ3-CB 4.18Å; S258-A260 PolarHBondContact O-N 3.12Å; A260-Q264 WeakPolarHBondContact O-CB 3.15Å; A260-Q264 PolarHBondContact O-N 2.83Å |
| 261 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -53 | 178.8 | -62 | 168.7 | 0 | 0 | 0 | 110.2 | W181 V237 L238 W255 S258 V259 K263 Q264 W265 V273 V280 V284 | W181-I261 HydrophobicContact CZ2-CD1 4.31Å; V237-I261 HydrophobicContact CG1-CG2 3.87Å; L238-I261 HydrophobicContact CD1-CG2 4.46Å; L238-I261 HydrophobicContact CD2-CD1 4.49Å; L238-I261 HydrophobicContact CD2-CG2 3.72Å; L238-I261 HydrophobicContact CG-CG2 4.03Å; W255-I261 HydrophobicContact CB-CD1 4.44Å; W255-I261 HydrophobicContact CD2-CD1 3.8Å; W255-I261 HydrophobicContact CD2-CG1 3.74Å; W255-I261 HydrophobicContact CE3-CD1 4.08Å; W255-I261 HydrophobicContact CE3-CG1 3.62Å; W255-I261 HydrophobicContact CG-CD1 3.95Å; W255-I261 HydrophobicContact CG-CG1 4.43Å; W255-I261 HydrophobicContact CH2-CG1 3.94Å; W255-I261 HydrophobicContact CZ2-CG1 4.04Å; W255-I261 HydrophobicContact CZ3-CG1 3.73Å; S258-I261 PolarHBondContact O-N 3.04Å; V259-I261 PolarHBondContact O-N 3.46Å; I261-K263 PolarHBondContact O-N 2.95Å; I261-Q264 PolarHBondContact O-N 3.14Å; I261-W265 PolarHBondContact O-N 3.37Å; I261-V273 HydrophobicContact CG2-CB 4.22Å; I261-V273 HydrophobicContact CG2-CG1 4.21Å; I261-V273 HydrophobicContact CG2-CG2 4.32Å; I261-V280 HydrophobicContact CD1-CG1 3.5Å; I261-V284 HydrophobicContact CB-CG2 4.29Å; I261-V284 HydrophobicContact CD1-CG2 3.79Å; I261-V284 HydrophobicContact CG2-CG2 4.11Å |
| 262 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | -178.4 | -73.9 | 171 | 0 | 0 | 0 | 111.9 | I190 I193 V237 S258 W265 Y266 V284 T287 V288 | I190-L262 HydrophobicContact CD1-CB 4.05Å; I190-L262 HydrophobicContact CD1-CD1 4.2Å; I190-L262 HydrophobicContact CG2-CD1 4.36Å; I193-L262 HydrophobicContact CG2-CB 4.1Å; I193-L262 HydrophobicContact CG2-CD2 4.2Å; V237-L262 HydrophobicContact CG1-CD2 4.22Å; V237-L262 HydrophobicContact CG2-CD2 4.4Å; S258-L262 PolarHBondContact O-N 3.05Å; L262-W265 PolarHBondContact O-N 3.44Å; L262-Y266 WeakPolarHBondContact O-CB 3.27Å; L262-Y266 PolarHBondContact O-N 3.43Å; L262-V284 HydrophobicContact CD2-CG1 3.88Å; L262-V284 HydrophobicContact CG-CG1 4.15Å; L262-T287 HydrophobicContact CD1-CG2 3.91Å; L262-V288 HydrophobicContact CD1-CG2 4.37Å; L262-V288 HydrophobicContact CD2-CG2 4.24Å |
| 263 | K | 98.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.8 | -74.1 | -177.4 | 177.1 | -179.4 | 0 | 112 | E188 I190 I193 V259 I261 A267 | E188-K263 WeakPolarHBondContact O-CE 3.29Å; E188-K263 PolarHBondContact O-NZ 2.82Å; E188-K263 VanDerWaalsContact O-NZ 3.09Å; I190-K263 HydrophobicContact CD1-CG 4.36Å; I193-K263 HydrophobicContact CD1-CG 3.96Å; V259-K263 HydrophobicContact CG1-CD 3.98Å; V259-K263 WeakPolarHBondContact O-CB 3.49Å; V259-K263 WeakPolarHBondContact O-CG 3.22Å; V259-K263 PolarHBondContact O-N 3.33Å; I261-K263 PolarHBondContact O-N 2.95Å; K263-A267 WeakPolarHBondContact O-CB 3.47Å; K263-A267 PolarHBondContact O-N 2.98Å |
| 264 | Q | 98 | Very high | 97.6 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64 | -50.4 | 175.6 | -178.8 | 178.1 | -19.8 | 0 | 0 | 111 | A260 I261 Y266 A267 T268 V273 | A260-Q264 WeakPolarHBondContact O-CB 3.15Å; A260-Q264 PolarHBondContact O-N 2.83Å; I261-Q264 PolarHBondContact O-N 3.14Å; Q264-Y266 VanDerWaalsContact C-N 3.28Å; Q264-Y266 PolarHBondContact O-N 2.74Å; Q264-A267 PolarHBondContact O-N 3.33Å; Q264-T268 HydrophobicContact CG-CG2 4.4Å; Q264-T268 WeakPolarHBondContact O-CG2 3.49Å; Q264-T268 PolarHBondContact O-N 3.42Å; Q264-T268 PolarHBondContact O-OG1 2.96Å; Q264-V273 HydrophobicContact CB-CG2 4.09Å; Q264-V273 HydrophobicContact CG-CG2 3.99Å |
| 265 | W | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.9 | -46.4 | 176.9 | 176.1 | 77.8 | 0 | 0 | 0 | 111.5 | I193 L197 K200 M228 G236 V237 I261 L262 T268 C270 Q271 V273 | I193-W265 HydrophobicContact CG2-CE3 3.96Å; I193-W265 HydrophobicContact CG2-CZ3 4.01Å; L197-W265 HydrophobicContact CB-CH2 4.09Å; L197-W265 HydrophobicContact CB-CZ3 4.23Å; K200-W265 HydrophobicContact CB-CH2 4.37Å; K200-W265 HydrophobicContact CB-CZ2 4.38Å; K200-W265 HydrophobicContact CG-CH2 4.12Å; K200-W265 HydrophobicContact CG-CZ2 4.3Å; M228-W265 HydrophobicContact CE-CZ2 4.14Å; G236-W265 PolarHBondContact O-NE1 2.88Å; V237-W265 HydrophobicContact CB-CG 4.46Å; V237-W265 HydrophobicContact CG1-CB 4.11Å; V237-W265 HydrophobicContact CG1-CG 4.15Å; V237-W265 HydrophobicContact CG2-CD2 4.2Å; V237-W265 HydrophobicContact CG2-CG 4.4Å; I261-W265 PolarHBondContact O-N 3.37Å; L262-W265 PolarHBondContact O-N 3.44Å; W265-T268 PolarHBondContact O-OG1 2.96Å; W265-T268 VanDerWaalsContact O-OG1 3.12Å; W265-C270 HydrophobicContact CD2-CB 4.27Å; W265-C270 HydrophobicContact CH2-CB 3.99Å; W265-C270 WeakPolarHBondContact CH2-SG 3.27Å; W265-C270 HydrophobicContact CZ2-CB 3.42Å; W265-C270 VanDerWaalsContact CZ2-CB 3.42Å; W265-C270 PolarHBondContact NE1-O 3.48Å; W265-C270 WeakPolarHBondContact O-CA 3.33Å; W265-C270 PolarHBondContact O-N 2.68Å; W265-Q271 VanDerWaalsContact CD1-O 3.24Å; W265-V273 HydrophobicContact CB-CG2 3.78Å |
| 266 | Y | 98.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 36.9 Ų | 36.9 | 42% | 0.42 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 178.7 | -174.3 | -100 | 0 | 0 | 0 | 112.6 | I193 K196 L262 Q264 T268 G269 | I193-Y266 HydrophobicContact CD1-CG 4.26Å; I193-Y266 HydrophobicContact CG1-CD1 4.24Å; I193-Y266 HydrophobicContact CG1-CD2 3.86Å; I193-Y266 HydrophobicContact CG1-CG 3.7Å; K196-Y266 HydrophobicContact CB-CD2 4.47Å; K196-Y266 HydrophobicContact CB-CE2 4.2Å; K196-Y266 HydrophobicContact CG-CD2 4.25Å; K196-Y266 HydrophobicContact CG-CE2 3.98Å; L262-Y266 WeakPolarHBondContact O-CB 3.27Å; L262-Y266 PolarHBondContact O-N 3.43Å; Q264-Y266 VanDerWaalsContact C-N 3.28Å; Q264-Y266 PolarHBondContact O-N 2.74Å; Y266-T268 VanDerWaalsContact C-N 3.29Å; Y266-T268 PolarHBondContact O-N 3.42Å; Y266-G269 PolarHBondContact O-N 3.5Å; Y266-G269 VanDerWaalsContact O-N 3.13Å |
| 267 | A | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 70% | 0.702 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.5 | -27.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K263 Q264 G269 | K263-A267 WeakPolarHBondContact O-CB 3.47Å; K263-A267 PolarHBondContact O-N 2.98Å; Q264-A267 PolarHBondContact O-N 3.33Å; A267-G269 PolarHBondContact O-N 2.88Å |
| 268 | T | 97.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 43% | 0.429 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 10.8 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | Q264 W265 Y266 Q271 | Q264-T268 HydrophobicContact CG-CG2 4.4Å; Q264-T268 WeakPolarHBondContact O-CG2 3.49Å; Q264-T268 PolarHBondContact O-N 3.42Å; Q264-T268 PolarHBondContact O-OG1 2.96Å; W265-T268 PolarHBondContact O-OG1 2.96Å; W265-T268 VanDerWaalsContact O-OG1 3.12Å; Y266-T268 VanDerWaalsContact C-N 3.29Å; Y266-T268 PolarHBondContact O-N 3.42Å; T268-Q271 VanDerWaalsContact O-CG 3.24Å; T268-Q271 WeakPolarHBondContact O-CG 3.44Å; T268-Q271 PolarHBondContact OG1-O 2.98Å |
| 269 | G | 97.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 37.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y266 A267 | Y266-G269 PolarHBondContact O-N 3.5Å; Y266-G269 VanDerWaalsContact O-N 3.13Å; A267-G269 PolarHBondContact O-N 2.88Å |
| 270 | C | 97.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 64.4 | 36.9 | -177.5 | -56 | 0 | 0 | 0 | 0 | 113.2 | K200 W265 | K200-C270 HydrophobicContact CG-CB 4.47Å; W265-C270 HydrophobicContact CD2-CB 4.27Å; W265-C270 HydrophobicContact CH2-CB 3.99Å; W265-C270 WeakPolarHBondContact CH2-SG 3.27Å; W265-C270 HydrophobicContact CZ2-CB 3.42Å; W265-C270 VanDerWaalsContact CZ2-CB 3.42Å; W265-C270 PolarHBondContact NE1-O 3.48Å; W265-C270 WeakPolarHBondContact O-CA 3.33Å; W265-C270 PolarHBondContact O-N 2.68Å |
| 271 | Q | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 35.3 Ų | 35.3 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -89.1 | 139.8 | 174 | -65.5 | -61.1 | -48.9 | 0 | 0 | 110.6 | W265 T268 V273 | W265-Q271 VanDerWaalsContact CD1-O 3.24Å; T268-Q271 VanDerWaalsContact O-CG 3.24Å; T268-Q271 WeakPolarHBondContact O-CG 3.44Å; T268-Q271 PolarHBondContact OG1-O 2.98Å; Q271-V273 PolarHBondContact O-N 3.1Å |
| 272 | P | 98.2 | Very high | 97.9 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 132.5 | -178.1 | -28.9 | 35.3 | 0 | 0 | 0 | 113.4 | N235 N239 | N235-P272 WeakPolarHBondContact OD1-CD 3.11Å; N235-P272 WeakPolarHBondContact OD1-CG 3.44Å; N239-P272 HydrophobicContact CB-CB 4.23Å |
| 273 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126 | 176 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | V237 L238 N239 W255 I261 Q264 W265 Q271 | V237-V273 PolarHBondContact O-N 2.72Å; L238-V273 HydrophobicContact CD2-CB 4.17Å; L238-V273 HydrophobicContact CD2-CG1 4.32Å; N239-V273 PolarHBondContact N-O 2.92Å; W255-V273 HydrophobicContact CH2-CG1 4.07Å; W255-V273 HydrophobicContact CZ2-CG1 3.76Å; I261-V273 HydrophobicContact CG2-CB 4.22Å; I261-V273 HydrophobicContact CG2-CG1 4.21Å; I261-V273 HydrophobicContact CG2-CG2 4.32Å; Q264-V273 HydrophobicContact CB-CG2 4.09Å; Q264-V273 HydrophobicContact CG-CG2 3.99Å; W265-V273 HydrophobicContact CB-CG2 3.78Å; Q271-V273 PolarHBondContact O-N 3.1Å |
| 274 | R | 97.9 | Very high | 97.9 | Very high | 120 Ų | 120 | 32.5 Ų | 32.5 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.6 | 177 | -66.4 | -179.5 | -174.4 | -173.4 | 4.2 | 109.7 | N239 D248 A250 | N239-R274 HydrophobicContact CB-CG 4.13Å; D248-R274 IonicContact OD2-CZ 2.78Å; D248-R274 IonicContact OD2-NH1 2.79Å; D248-R274 PolarHBondContact OD2-NH1 3.09Å; A250-R274 PolarHBondContact N-O 2.89Å |
| 275 | Y | 97.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -129 | 164.3 | -5.5 | -67.6 | -76.3 | 0 | 0 | 0 | 111.7 | N239 N241 Y246 D248 A250 W255 | N239-Y275 HydrophobicContact CB-CD1 4.24Å; N239-Y275 HydrophobicContact CB-CE1 4.49Å; N239-Y275 CarbonylContact O-C 3.55Å; N239-Y275 WeakPolarHBondContact O-CA 3.07Å; N239-Y275 WeakPolarHBondContact O-CD1 3.23Å; N239-Y275 WeakPolarHBondContact OD1-CD1 3.35Å; N239-Y275 WeakPolarHBondContact OD1-CE1 3.33Å; N241-Y275 HydrophobicContact CB-CD1 3.36Å; N241-Y275 HydrophobicContact CB-CD2 4.31Å; N241-Y275 HydrophobicContact CB-CE1 3.82Å; N241-Y275 HydrophobicContact CB-CG 3.63Å; Y246-Y275 AromaticContact CD1-CD2 3.83Å; Y246-Y275 HydrophobicContact CD1-CD2 3.83Å; Y246-Y275 HydrophobicContact CD1-CG 4.32Å; D248-Y275 VanDerWaalsContact CG-OH 3.23Å; D248-Y275 WeakPolarHBondContact OD1-CE2 3.49Å; D248-Y275 PolarHBondContact OD1-OH 2.88Å; D248-Y275 PolarHBondContact OD2-OH 3.36Å; A250-Y275 PolarHBondContact O-N 3.36Å; A250-Y275 VanDerWaalsContact O-N 3.14Å; W255-Y275 PolarHBondContact NE1-O 3.4Å |
| 276 | G | 96.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | N239 G240 N241 | N239-G276 PolarHBondContact O-N 3.39Å; G240-G276 WeakPolarHBondContact CA-O 3.41Å; N241-G276 PolarHBondContact N-O 2.98Å |
| 277 | Q | 95.4 | Very high | 98 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | trans | -130.8 | 176.9 | 165.1 | -74.4 | -177.5 | -0.6 | 0 | 0 | 108.5 | N241 W242 Y246 P252 W279 V280 F281 | N241-Q277 PolarHBondContact O-NE2 3.29Å; W242-Q277 HydrophobicContact CD2-CG 4.15Å; W242-Q277 HydrophobicContact CG-CG 4.28Å; W242-Q277 HydrophobicContact CZ2-CB 4.25Å; W242-Q277 HydrophobicContact CZ2-CG 4.24Å; Y246-Q277 PolarHBondContact OH-NE2 3.04Å; P252-Q277 HydrophobicContact CB-CB 4.11Å; P252-Q277 HydrophobicContact CB-CG 3.88Å; P252-Q277 HydrophobicContact CG-CG 3.83Å; Q277-W279 VanDerWaalsContact C-N 3.28Å; Q277-W279 HydrophobicContact CB-CD2 4.41Å; Q277-W279 HydrophobicContact CB-CE3 3.92Å; Q277-W279 HydrophobicContact CB-CH2 3.81Å; Q277-W279 HydrophobicContact CB-CZ2 4.26Å; Q277-W279 HydrophobicContact CB-CZ3 3.59Å; Q277-W279 HydrophobicContact CG-CH2 4.35Å; Q277-W279 HydrophobicContact CG-CZ3 4.42Å; Q277-W279 PolarHBondContact O-N 3.1Å; Q277-V280 WeakPolarHBondContact O-CA 3.43Å; Q277-V280 WeakPolarHBondContact O-CB 3.46Å; Q277-V280 PolarHBondContact O-N 2.99Å; Q277-F281 WeakPolarHBondContact O-CD2 3.44Å; Q277-F281 PolarHBondContact O-N 3.35Å | ||
| 278 | C | 96.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -47 | -45.7 | -167 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | V280 F281 A282 W334 H337 V338 T362 H550 | C278-V280 VanDerWaalsContact C-N 3.32Å; C278-V280 PolarHBondContact O-N 3.25Å; C278-F281 PolarHBondContact O-N 2.81Å; C278-A282 WeakPolarHBondContact O-CB 3.48Å; C278-A282 PolarHBondContact O-N 2.83Å; C278-W334 HydrophobicContact CB-CZ3 4.27Å; C278-H337 VanDerWaalsContact CB-ND1 3.27Å; C278-H337 WeakPolarHBondContact CB-ND1 3.44Å; C278-V338 HydrophobicContact CB-CB 4.43Å; C278-T362 WeakPolarHBondContact CA-OG1 3.41Å; C278-T362 HydrophobicContact CB-CG2 4.11Å; C278-T362 WeakPolarHBondContact CB-OG1 3.27Å; C278-H550 PolarHBondContact SG-NE2 3.22Å |
| 279 | W | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66 | -32.8 | 178.9 | 68.6 | 89.1 | 0 | 0 | 0 | 113.6 | I168 W181 P252 A253 Q277 A283 F336 V338 H550 | I168-W279 HydrophobicContact CD1-CB 4.2Å; I168-W279 HydrophobicContact CG2-CB 3.92Å; W181-W279 AromaticContact CZ3-CD1 3.95Å; P252-W279 HydrophobicContact CB-CZ2 4Å; A253-W279 HydrophobicContact CB-CZ2 4.38Å; Q277-W279 VanDerWaalsContact C-N 3.28Å; Q277-W279 HydrophobicContact CB-CD2 4.41Å; Q277-W279 HydrophobicContact CB-CE3 3.92Å; Q277-W279 HydrophobicContact CB-CH2 3.81Å; Q277-W279 HydrophobicContact CB-CZ2 4.26Å; Q277-W279 HydrophobicContact CB-CZ3 3.59Å; Q277-W279 HydrophobicContact CG-CH2 4.35Å; Q277-W279 HydrophobicContact CG-CZ3 4.42Å; Q277-W279 PolarHBondContact O-N 3.1Å; W279-A283 WeakPolarHBondContact O-CB 3.29Å; W279-A283 PolarHBondContact O-N 3.26Å; W279-F336 HydrophobicContact CE3-CE2 4.05Å; W279-F336 HydrophobicContact CE3-CZ 4.15Å; W279-F336 HydrophobicContact CZ3-CZ 4.26Å; W279-V338 HydrophobicContact CB-CB 4.15Å; W279-V338 HydrophobicContact CB-CG1 4.32Å; W279-V338 HydrophobicContact CB-CG2 3.91Å; W279-H550 AromaticContact CE3-CE1 4Å; W279-H550 AromaticContact CZ3-CE1 3.74Å; W279-H550 AromaticContact CZ3-ND1 3.62Å |
| 280 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.4 | -44.8 | 176.9 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | W181 L238 P252 W255 I261 Q277 C278 A283 V284 | W181-V280 HydrophobicContact CH2-CB 4.39Å; W181-V280 HydrophobicContact CH2-CG1 4.11Å; W181-V280 HydrophobicContact CH2-CG2 4.21Å; W181-V280 HydrophobicContact CZ2-CG1 4.48Å; L238-V280 HydrophobicContact CD1-CB 4.41Å; L238-V280 HydrophobicContact CD1-CG1 3.73Å; L238-V280 HydrophobicContact CD2-CG1 4.14Å; P252-V280 HydrophobicContact CB-CG2 4.21Å; W255-V280 HydrophobicContact CG-CG1 4.47Å; I261-V280 HydrophobicContact CD1-CG1 3.5Å; Q277-V280 WeakPolarHBondContact O-CA 3.43Å; Q277-V280 WeakPolarHBondContact O-CB 3.46Å; Q277-V280 PolarHBondContact O-N 2.99Å; C278-V280 VanDerWaalsContact C-N 3.32Å; C278-V280 PolarHBondContact O-N 3.25Å; V280-A283 PolarHBondContact O-N 2.66Å; V280-V284 WeakPolarHBondContact O-CB 3.24Å; V280-V284 WeakPolarHBondContact O-CG2 3.21Å; V280-V284 PolarHBondContact O-N 3.44Å |
| 281 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 173.9 | -66.2 | -76 | 0 | 0 | 0 | 110.4 | I229 N230 L238 W242 Q277 C278 A283 V284 M285 A361 T362 | I229-F281 HydrophobicContact CG2-CB 4.2Å; I229-F281 HydrophobicContact CG2-CD1 3.95Å; I229-F281 WeakPolarHBondContact CG2-O 3.42Å; N230-F281 HydrophobicContact CB-CD1 4.07Å; N230-F281 HydrophobicContact CB-CE1 3.69Å; L238-F281 HydrophobicContact CB-CD1 3.91Å; L238-F281 HydrophobicContact CB-CE1 3.41Å; L238-F281 VanDerWaalsContact CB-CE1 3.41Å; L238-F281 HydrophobicContact CB-CZ 4.13Å; L238-F281 HydrophobicContact CD1-CD1 3.97Å; L238-F281 HydrophobicContact CD1-CE1 4.28Å; L238-F281 HydrophobicContact CD1-CG 4.46Å; W242-F281 AromaticContact CH2-CE2 3.76Å; W242-F281 HydrophobicContact CH2-CE2 3.76Å; W242-F281 HydrophobicContact CZ2-CE2 4.32Å; Q277-F281 WeakPolarHBondContact O-CD2 3.44Å; Q277-F281 PolarHBondContact O-N 3.35Å; C278-F281 PolarHBondContact O-N 2.81Å; F281-A283 VanDerWaalsContact C-N 3.32Å; F281-A283 PolarHBondContact O-N 3Å; F281-V284 PolarHBondContact O-N 2.82Å; F281-M285 WeakPolarHBondContact O-CB 3.48Å; F281-M285 PolarHBondContact O-N 2.9Å; F281-A361 HydrophobicContact CB-CB 4.1Å; F281-T362 HydrophobicContact CD2-CG2 4.4Å |
| 282 | A | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.1 | -37.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C278 C286 V298 V338 N340 | C278-A282 WeakPolarHBondContact O-CB 3.48Å; C278-A282 PolarHBondContact O-N 2.83Å; A282-C286 VanDerWaalsContact O-CB 3.3Å; A282-C286 WeakPolarHBondContact O-CB 2.93Å; A282-C286 PolarHBondContact O-N 2.71Å; A282-V298 HydrophobicContact CB-CG1 4.18Å; A282-V338 HydrophobicContact CB-CB 4.34Å; A282-V338 HydrophobicContact CB-CG1 3.69Å; A282-N340 WeakPolarHBondContact CA-OD1 3.46Å; A282-N340 PolarHBondContact O-ND2 2.87Å; A282-N340 PolarHBondContact O-OD1 3.48Å |
| 283 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -74.3 | -38.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I168 W181 Y183 S258 W279 V280 F281 C286 T287 | I168-A283 HydrophobicContact CD1-CB 3.66Å; W181-A283 HydrophobicContact CD2-CB 3.77Å; W181-A283 HydrophobicContact CG-CB 3.96Å; W181-A283 HydrophobicContact CZ2-CB 3.75Å; W181-A283 VanDerWaalsContact NE1-CB 3.26Å; Y183-A283 HydrophobicContact CE1-CB 4.12Å; S258-A283 PolarHBondContact OG-O 3.16Å; S258-A283 VanDerWaalsContact OG-O 3.12Å; W279-A283 WeakPolarHBondContact O-CB 3.29Å; W279-A283 PolarHBondContact O-N 3.26Å; V280-A283 PolarHBondContact O-N 2.66Å; F281-A283 VanDerWaalsContact C-N 3.32Å; F281-A283 PolarHBondContact O-N 3Å; A283-C286 PolarHBondContact O-N 2.78Å; A283-T287 PolarHBondContact O-N 2.85Å; A283-T287 PolarHBondContact O-OG1 2.79Å |
| 284 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | I229 V237 L238 I261 L262 V280 F281 C286 T287 V288 | I229-V284 HydrophobicContact CD1-CG1 4.2Å; I229-V284 HydrophobicContact CG2-CB 4.3Å; I229-V284 HydrophobicContact CG2-CG1 4.26Å; V237-V284 HydrophobicContact CG1-CG1 4.27Å; L238-V284 HydrophobicContact CD1-CB 4.32Å; L238-V284 HydrophobicContact CD1-CG2 4.01Å; I261-V284 HydrophobicContact CB-CG2 4.29Å; I261-V284 HydrophobicContact CD1-CG2 3.79Å; I261-V284 HydrophobicContact CG2-CG2 4.11Å; L262-V284 HydrophobicContact CD2-CG1 3.88Å; L262-V284 HydrophobicContact CG-CG1 4.15Å; V280-V284 WeakPolarHBondContact O-CB 3.24Å; V280-V284 WeakPolarHBondContact O-CG2 3.21Å; V280-V284 PolarHBondContact O-N 3.44Å; F281-V284 PolarHBondContact O-N 2.82Å; V284-C286 PolarHBondContact O-N 3.38Å; V284-T287 WeakPolarHBondContact O-CB 3.43Å; V284-T287 PolarHBondContact O-N 2.91Å; V284-T287 VanDerWaalsContact O-N 3.16Å; V284-V288 WeakPolarHBondContact O-CG2 3.23Å; V284-V288 PolarHBondContact O-N 2.8Å |
| 285 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 174 | -173.1 | 172.4 | -171.8 | 0 | 0 | 111.9 | V225 C226 I229 F281 T287 V288 M289 N340 L359 A361 | V225-M285 HydrophobicContact CG1-CG 4.2Å; C226-M285 HydrophobicContact CB-CE 3.63Å; I229-M285 HydrophobicContact CG1-CB 3.8Å; I229-M285 HydrophobicContact CG1-CG 4.15Å; F281-M285 WeakPolarHBondContact O-CB 3.48Å; F281-M285 PolarHBondContact O-N 2.9Å; M285-T287 PolarHBondContact O-N 2.77Å; M285-V288 PolarHBondContact O-N 3.01Å; M285-V288 VanDerWaalsContact O-N 3.14Å; M285-M289 HydrophobicContact CE-CE 3.18Å; M285-M289 HydrophobicContact CG-CE 4.08Å; M285-M289 HydrophobicContact CG-CG 4.31Å; M285-M289 WeakPolarHBondContact O-CG 3.38Å; M285-M289 PolarHBondContact O-N 2.84Å; M285-M289 HydrophobicContact SD-CE 4.48Å; M285-N340 WeakPolarHBondContact CB-OD1 3.39Å; M285-N340 HydrophobicContact SD-CB 4.21Å; M285-N340 PolarHBondContact SD-OD1 3Å; M285-L359 HydrophobicContact CE-CB 3.37Å; M285-L359 HydrophobicContact CE-CD1 4.37Å; M285-L359 HydrophobicContact CE-CD2 3.76Å; M285-L359 HydrophobicContact CE-CG 4.02Å; M285-L359 HydrophobicContact SD-CB 4.24Å; M285-A361 HydrophobicContact SD-CB 3.76Å |
| 286 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 0.7 Ų | 0.7 | 0% | 0 | 0% | 0.003 | C | C | . | . | H | α-helix | trans | -54.3 | -44 | 176.3 | -172 | 0 | 0 | 0 | 0 | 111.4 | Y183 A282 A283 V284 V288 M289 R290 T296 V298 | Y183-C286 HydrophobicContact CD1-CB 4.1Å; Y183-C286 HydrophobicContact CE1-CB 3.77Å; A282-C286 VanDerWaalsContact O-CB 3.3Å; A282-C286 WeakPolarHBondContact O-CB 2.93Å; A282-C286 PolarHBondContact O-N 2.71Å; A283-C286 PolarHBondContact O-N 2.78Å; V284-C286 PolarHBondContact O-N 3.38Å; C286-V288 PolarHBondContact O-N 3.31Å; C286-M289 PolarHBondContact O-N 3.1Å; C286-R290 WeakPolarHBondContact O-CB 3.48Å; C286-R290 VanDerWaalsContact O-CG 3.25Å; C286-R290 WeakPolarHBondContact O-CG 3.1Å; C286-R290 PolarHBondContact O-N 3.48Å; C286-R290 PolarHBondContact SG-NE 2.65Å; C286-R290 VanDerWaalsContact SG-NE 3.38Å; C286-T296 HydrophobicContact CB-CG2 4.23Å; C286-V298 HydrophobicContact CB-CG2 3.69Å |
| 287 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | Y183 Q185 I190 S258 L262 A283 V284 M285 C291 | Y183-T287 WeakPolarHBondContact CA-OG1 3.47Å; Y183-T287 WeakPolarHBondContact O-CG2 3.1Å; Y183-T287 PolarHBondContact O-OG1 2.91Å; Q185-T287 HydrophobicContact CB-CG2 4.05Å; I190-T287 HydrophobicContact CG2-CG2 4.32Å; S258-T287 WeakPolarHBondContact CB-OG1 3.37Å; S258-T287 PolarHBondContact OG-OG1 3.49Å; L262-T287 HydrophobicContact CD1-CG2 3.91Å; A283-T287 PolarHBondContact O-N 2.85Å; A283-T287 PolarHBondContact O-OG1 2.79Å; V284-T287 WeakPolarHBondContact O-CB 3.43Å; V284-T287 PolarHBondContact O-N 2.91Å; V284-T287 VanDerWaalsContact O-N 3.16Å; M285-T287 PolarHBondContact O-N 2.77Å; T287-C291 VanDerWaalsContact O-CB 3.24Å; T287-C291 WeakPolarHBondContact O-CB 3.35Å; T287-C291 PolarHBondContact O-N 2.77Å |
| 288 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | -179.7 | 177.5 | 0 | 0 | 0 | 0 | 111 | C194 L197 V225 I229 L262 V284 M285 C286 C291 L292 | C194-V288 HydrophobicContact CB-CG1 4.23Å; L197-V288 HydrophobicContact CD1-CG2 4.11Å; V225-V288 HydrophobicContact CG1-CB 4.05Å; V225-V288 HydrophobicContact CG1-CG1 3.72Å; V225-V288 HydrophobicContact CG2-CG1 3.89Å; I229-V288 HydrophobicContact CD1-CG2 4.14Å; L262-V288 HydrophobicContact CD1-CG2 4.37Å; L262-V288 HydrophobicContact CD2-CG2 4.24Å; V284-V288 WeakPolarHBondContact O-CG2 3.23Å; V284-V288 PolarHBondContact O-N 2.8Å; M285-V288 PolarHBondContact O-N 3.01Å; M285-V288 VanDerWaalsContact O-N 3.14Å; C286-V288 PolarHBondContact O-N 3.31Å; V288-C291 WeakPolarHBondContact O-CB 3.48Å; V288-C291 PolarHBondContact O-N 3.41Å; V288-L292 HydrophobicContact CG1-CD1 4.01Å; V288-L292 VanDerWaalsContact O-CG 3.32Å; V288-L292 WeakPolarHBondContact O-CG 3.09Å; V288-L292 PolarHBondContact O-N 2.86Å |
| 289 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 179.6 | -64.1 | -59.8 | -167.5 | 0 | 0 | 112.5 | V225 M285 C286 C291 L292 G293 I294 T296 | V225-M289 HydrophobicContact CB-CE 3.76Å; V225-M289 HydrophobicContact CB-SD 4.16Å; V225-M289 HydrophobicContact CG1-CE 3.72Å; V225-M289 HydrophobicContact CG1-SD 4.06Å; V225-M289 HydrophobicContact CG2-SD 4.34Å; M285-M289 HydrophobicContact CE-CE 3.18Å; M285-M289 HydrophobicContact CG-CE 4.08Å; M285-M289 HydrophobicContact CG-CG 4.31Å; M285-M289 WeakPolarHBondContact O-CG 3.38Å; M285-M289 PolarHBondContact O-N 2.84Å; M285-M289 HydrophobicContact SD-CE 4.48Å; C286-M289 PolarHBondContact O-N 3.1Å; M289-C291 VanDerWaalsContact C-N 3.32Å; M289-C291 PolarHBondContact O-N 2.98Å; M289-L292 PolarHBondContact O-N 2.88Å; M289-G293 PolarHBondContact O-N 2.8Å; M289-G293 VanDerWaalsContact O-N 3.09Å; M289-I294 CarbonylContact C-O 3.54Å; M289-I294 HydrophobicContact CB-CB 4.27Å; M289-I294 PolarHBondContact O-N 3.03Å; M289-I294 HydrophobicContact SD-CD1 4.01Å; M289-T296 HydrophobicContact CB-CG2 4.17Å; M289-T296 WeakPolarHBondContact CB-OG1 3.49Å; M289-T296 HydrophobicContact CG-CG2 4.4Å |
| 290 | R | 98.9 | Very high | 98.9 | Very high | 5 Ų | 5 | 1.4 Ų | 1.4 | 2% | 0.019 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.8 | -71.9 | -170.5 | 179.9 | -170.8 | -2 | 111.5 | E159 Y160 N163 Q185 C286 L292 G293 T296 | E159-R290 PolarHBondContact O-NH1 2.93Å; E159-R290 VanDerWaalsContact O-NH1 3.12Å; E159-R290 PolarHBondContact O-NH2 3.47Å; E159-R290 VanDerWaalsContact O-NH2 3.12Å; Y160-R290 VanDerWaalsContact O-CG 3.31Å; Y160-R290 WeakPolarHBondContact O-CG 3.44Å; Y160-R290 PolarHBondContact O-NE 2.9Å; N163-R290 PolarHBondContact O-NH1 2.91Å; Q185-R290 HydrophobicContact CB-CB 4.39Å; Q185-R290 HydrophobicContact CG-CB 4.02Å; C286-R290 WeakPolarHBondContact O-CB 3.48Å; C286-R290 VanDerWaalsContact O-CG 3.25Å; C286-R290 WeakPolarHBondContact O-CG 3.1Å; C286-R290 PolarHBondContact O-N 3.48Å; C286-R290 PolarHBondContact SG-NE 2.65Å; C286-R290 VanDerWaalsContact SG-NE 3.38Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 2.79Å; R290-G293 PolarHBondContact O-N 3.5Å; R290-T296 PolarHBondContact NE-O 3.42Å; R290-T296 PolarHBondContact NH2-O 2.67Å |
| 291 | C | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 1.4 Ų | 1.4 | 1% | 0.007 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.4 | -163.2 | 0 | 0 | 0 | 0 | 112 | Q185 I191 C194 T287 V288 M289 G293 | Q185-C291 HydrophobicContact CB-CB 3.9Å; Q185-C291 PolarHBondContact O-SG 2.94Å; Q185-C291 VanDerWaalsContact O-SG 3.37Å; I191-C291 VanDerWaalsContact CA-SG 3.52Å; C194-C291 HydrophobicContact CB-CB 4.43Å; T287-C291 VanDerWaalsContact O-CB 3.24Å; T287-C291 WeakPolarHBondContact O-CB 3.35Å; T287-C291 PolarHBondContact O-N 2.77Å; V288-C291 WeakPolarHBondContact O-CB 3.48Å; V288-C291 PolarHBondContact O-N 3.41Å; M289-C291 VanDerWaalsContact C-N 3.32Å; M289-C291 PolarHBondContact O-N 2.98Å; C291-G293 PolarHBondContact O-N 2.83Å |
| 292 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -75.3 | -10 | 177.9 | -64.9 | 175.1 | 0 | 0 | 0 | 113.5 | F140 C194 L195 L198 V221 V225 V288 M289 R290 | F140-L292 WeakPolarHBondContact CB-O 3.24Å; F140-L292 HydrophobicContact CD2-CB 4.45Å; F140-L292 WeakPolarHBondContact CD2-O 3.1Å; F140-L292 PolarHBondContact N-O 2.9Å; C194-L292 HydrophobicContact CB-CD2 4.37Å; L195-L292 HydrophobicContact CD2-CD2 4.01Å; L198-L292 HydrophobicContact CD1-CD1 4.24Å; L198-L292 HydrophobicContact CD1-CD2 4.36Å; L198-L292 HydrophobicContact CD2-CD1 4.49Å; V221-L292 HydrophobicContact CG1-CD1 3.87Å; V225-L292 HydrophobicContact CG2-CD1 4.15Å; V288-L292 HydrophobicContact CG1-CD1 4.01Å; V288-L292 VanDerWaalsContact O-CG 3.32Å; V288-L292 WeakPolarHBondContact O-CG 3.09Å; V288-L292 PolarHBondContact O-N 2.86Å; M289-L292 PolarHBondContact O-N 2.88Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 2.79Å |
| 293 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 13.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P142 M289 R290 C291 | P142-G293 WeakPolarHBondContact CD-O 3.34Å; M289-G293 PolarHBondContact O-N 2.8Å; M289-G293 VanDerWaalsContact O-N 3.09Å; R290-G293 PolarHBondContact O-N 3.5Å; C291-G293 PolarHBondContact O-N 2.83Å |
| 294 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -87 | 121.7 | 172 | -56.9 | -179.9 | 0 | 0 | 0 | 107.6 | F140 V149 P218 V221 M289 T296 C342 M344 | F140-I294 HydrophobicContact CB-CG1 4.41Å; F140-I294 HydrophobicContact CD2-CD1 3.94Å; F140-I294 HydrophobicContact CD2-CG1 3.51Å; F140-I294 HydrophobicContact CE2-CD1 3.77Å; F140-I294 HydrophobicContact CE2-CG1 3.91Å; F140-I294 HydrophobicContact CG-CG1 3.96Å; F140-I294 HydrophobicContact CZ-CD1 4.37Å; V149-I294 HydrophobicContact CG1-CG1 4.3Å; V149-I294 HydrophobicContact CG1-CG2 4.38Å; P218-I294 HydrophobicContact CB-CD1 4.18Å; V221-I294 HydrophobicContact CG1-CD1 4.22Å; M289-I294 CarbonylContact C-O 3.54Å; M289-I294 HydrophobicContact CB-CB 4.27Å; M289-I294 PolarHBondContact O-N 3.03Å; M289-I294 HydrophobicContact SD-CD1 4.01Å; I294-T296 PolarHBondContact O-N 2.79Å; I294-T296 PolarHBondContact O-OG1 3.38Å; I294-C342 HydrophobicContact CG2-CB 3.97Å; I294-M344 HydrophobicContact CG2-CE 4.31Å | ||
| 295 | P | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.01 | C | C | . | . | trans | -64 | 122.6 | 177 | -18 | 29.5 | 0 | 0 | 0 | 110.6 | P142 L151 Y160 V161 C342 W343 | P142-P295 HydrophobicContact CB-CG 3.62Å; P142-P295 HydrophobicContact CG-CG 4.23Å; L151-P295 HydrophobicContact CB-CG 4.33Å; L151-P295 HydrophobicContact CD2-CB 3.96Å; L151-P295 HydrophobicContact CD2-CG 4.23Å; Y160-P295 WeakPolarHBondContact O-CA 3.48Å; V161-P295 HydrophobicContact CG2-CB 3.94Å; V161-P295 HydrophobicContact CG2-CG 3.89Å; P295-C342 WeakPolarHBondContact O-CA 3.32Å; P295-W343 HydrophobicContact CB-CB 3.99Å; P295-W343 HydrophobicContact CG-CB 4.3Å; P295-W343 PolarHBondContact O-N 3.38Å | ||
| 296 | T | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.3 | -173 | -59.7 | 0 | 0 | 0 | 0 | 112 | Y160 C286 M289 R290 I294 N340 E341 C342 | Y160-T296 PolarHBondContact O-N 3.36Å; C286-T296 HydrophobicContact CB-CG2 4.23Å; M289-T296 HydrophobicContact CB-CG2 4.17Å; M289-T296 WeakPolarHBondContact CB-OG1 3.49Å; M289-T296 HydrophobicContact CG-CG2 4.4Å; R290-T296 PolarHBondContact NE-O 3.42Å; R290-T296 PolarHBondContact NH2-O 2.67Å; I294-T296 PolarHBondContact O-N 2.79Å; I294-T296 PolarHBondContact O-OG1 3.38Å; T296-N340 HydrophobicContact CG2-CB 4.04Å; T296-E341 VanDerWaalsContact CA-O 3.28Å; T296-E341 WeakPolarHBondContact CA-O 3.44Å; T296-C342 PolarHBondContact OG1-SG 2.9Å |
| 297 | R | 98.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 3.4 Ų | 3.4 | 6% | 0.06 | 2% | 0.017 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.9 | 171.5 | 61.5 | -175.8 | -175.7 | 176.6 | 3.9 | 111.3 | Y160 I299 N340 E341 W356 | Y160-R297 HydrophobicContact CD1-CB 3.84Å; Y160-R297 HydrophobicContact CE1-CB 3.82Å; Y160-R297 HydrophobicContact CE1-CG 4.37Å; Y160-R297 PolarHBondContact OH-NH1 2.85Å; R297-I299 HydrophobicContact CG-CD1 3.83Å; R297-N340 WeakPolarHBondContact O-CA 3.16Å; R297-E341 HydrophobicContact CG-CB 3.91Å; R297-E341 IonicContact CZ-OE2 2.67Å; R297-E341 PolarHBondContact N-O 3.45Å; R297-E341 IonicContact NE-OE2 3.74Å; R297-E341 PolarHBondContact NE-OE2 3.49Å; R297-E341 IonicContact NH2-OE1 3.93Å; R297-E341 IonicContact NH2-OE2 2.84Å; R297-E341 PolarHBondContact NH2-OE2 2.91Å; R297-E341 PolarHBondContact O-N 3.12Å; R297-W356 HydrophobicContact CG-CE3 4.49Å; R297-W356 HydrophobicContact CG-CH2 4.13Å; R297-W356 HydrophobicContact CG-CZ3 4.07Å |
| 298 | V | 98.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 6.1 Ų | 6.1 | 3% | 0.03 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.2 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | I168 Y183 A282 C286 V338 T429 | I168-V298 HydrophobicContact CG1-CG1 4.22Å; I168-V298 HydrophobicContact CG2-CG1 4.11Å; Y183-V298 HydrophobicContact CE1-CG2 3.96Å; Y183-V298 WeakPolarHBondContact OH-CG2 3.48Å; A282-V298 HydrophobicContact CB-CG1 4.18Å; C286-V298 HydrophobicContact CB-CG2 3.69Å; V298-V338 HydrophobicContact CG1-CG1 3.27Å; V298-T429 PolarHBondContact O-OG1 2.74Å |
| 299 | I | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132 | -178.1 | -55.4 | -50 | 0 | 0 | 0 | 109 | R297 V338 W339 E341 I427 S428 T429 I440 | R297-I299 HydrophobicContact CG-CD1 3.83Å; I299-V338 CarbonylContact O-C 3.55Å; I299-V338 VanDerWaalsContact O-CA 3.23Å; I299-V338 WeakPolarHBondContact O-CA 3.41Å; I299-V338 VanDerWaalsContact O-CG1 3.28Å; I299-V338 WeakPolarHBondContact O-CG1 3.45Å; I299-W339 HydrophobicContact CB-CG 4.37Å; I299-W339 HydrophobicContact CG2-CZ2 4.02Å; I299-W339 PolarHBondContact N-O 2.87Å; I299-W339 PolarHBondContact O-N 3.26Å; I299-E341 HydrophobicContact CD1-CB 4.39Å; I299-E341 HydrophobicContact CD1-CG 4.19Å; I299-E341 HydrophobicContact CG1-CB 4.07Å; I299-E341 HydrophobicContact CG1-CG 3.66Å; I299-I427 HydrophobicContact CG2-CG2 3.35Å; I299-S428 WeakPolarHBondContact CA-O 3.48Å; I299-T429 HydrophobicContact CD1-CG2 4.31Å; I299-I440 HydrophobicContact CD1-CD1 3.54Å; I299-I440 HydrophobicContact CG1-CD1 4.38Å; I299-I440 HydrophobicContact CG2-CD1 4.36Å |
| 300 | T | 98.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127 | 168.6 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | Y169 F302 F336 H337 V338 I427 S428 | Y169-T300 PolarHBondContact N-OG1 3.38Å; Y169-T300 WeakPolarHBondContact O-CB 3.34Å; Y169-T300 WeakPolarHBondContact O-CG2 3.37Å; Y169-T300 PolarHBondContact O-OG1 3.38Å; T300-F302 HydrophobicContact CG2-CD2 4.16Å; T300-F302 HydrophobicContact CG2-CE1 4.2Å; T300-F302 HydrophobicContact CG2-CE2 3.65Å; T300-F302 HydrophobicContact CG2-CZ 3.67Å; T300-F336 HydrophobicContact CG2-CB 3.82Å; T300-F336 HydrophobicContact CG2-CD2 3.96Å; T300-F336 HydrophobicContact CG2-CG 4.21Å; T300-H337 CarbonylContact C-O 3.55Å; T300-H337 WeakPolarHBondContact CA-O 3.28Å; T300-V338 HydrophobicContact CG2-CG2 4.26Å; T300-I427 CarbonylContact O-C 3.59Å; T300-I427 VanDerWaalsContact O-CA 3.28Å; T300-I427 WeakPolarHBondContact O-CA 3.38Å; T300-S428 PolarHBondContact N-O 3.37Å; T300-S428 PolarHBondContact O-N 3.45Å |
| 301 | N | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.2 | 169.4 | 179 | 32.7 | 0 | 0 | 0 | 110 | S304 F336 H337 W339 M398 G424 N425 I427 | N301-S304 WeakPolarHBondContact ND2-CA 3.43Å; N301-S304 VanDerWaalsContact ND2-CB 3.26Å; N301-S304 WeakPolarHBondContact ND2-CB 3.33Å; N301-S304 PolarHBondContact ND2-OG 3.02Å; N301-F336 CarbonylContact O-C 3.54Å; N301-F336 WeakPolarHBondContact O-CA 3.42Å; N301-F336 WeakPolarHBondContact O-CB 3.36Å; N301-H337 PolarHBondContact N-O 2.71Å; N301-H337 PolarHBondContact O-N 2.87Å; N301-W339 HydrophobicContact CB-CE3 4.42Å; N301-W339 HydrophobicContact CB-CH2 3.27Å; N301-W339 HydrophobicContact CB-CZ2 4.13Å; N301-W339 HydrophobicContact CB-CZ3 3.44Å; N301-W339 VanDerWaalsContact CB-CZ3 3.44Å; N301-M398 PolarHBondContact ND2-O 2.89Å; N301-G424 WeakPolarHBondContact OD1-CA 3.15Å; N301-N425 PolarHBondContact OD1-N 2.75Å; N301-I427 HydrophobicContact CB-CG1 4.41Å; N301-I427 WeakPolarHBondContact OD1-CG1 3.4Å |
| 302 | F | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.3 | 176.2 | -64.8 | -89.2 | 0 | 0 | 0 | 110.9 | K173 I176 T300 S304 F336 N425 F426 | K173-F302 HydrophobicContact CB-CB 4.08Å; I176-F302 HydrophobicContact CB-CZ 4.18Å; I176-F302 HydrophobicContact CD1-CD2 4.1Å; I176-F302 HydrophobicContact CD1-CE2 3.71Å; I176-F302 HydrophobicContact CD1-CZ 4.16Å; I176-F302 HydrophobicContact CG1-CD2 4.35Å; I176-F302 HydrophobicContact CG1-CE1 4.17Å; I176-F302 HydrophobicContact CG1-CE2 3.78Å; I176-F302 HydrophobicContact CG1-CZ 3.69Å; I176-F302 HydrophobicContact CG2-CE2 4.07Å; I176-F302 HydrophobicContact CG2-CZ 3.76Å; T300-F302 HydrophobicContact CG2-CD2 4.16Å; T300-F302 HydrophobicContact CG2-CE1 4.2Å; T300-F302 HydrophobicContact CG2-CE2 3.65Å; T300-F302 HydrophobicContact CG2-CZ 3.67Å; F302-S304 VanDerWaalsContact C-N 3.32Å; F302-S304 PolarHBondContact O-N 3.24Å; F302-F336 HydrophobicContact CD1-CB 3.65Å; F302-F336 HydrophobicContact CE1-CB 3.87Å; F302-F336 HydrophobicContact CE1-CG 4.37Å; F302-F336 HydrophobicContact CG-CB 4.28Å; F302-N425 WeakPolarHBondContact CB-O 3.42Å; F302-N425 PolarHBondContact N-O 3.34Å; F302-N425 PolarHBondContact O-N 2.53Å; F302-F426 HydrophobicContact CD2-CB 4.03Å; F302-F426 WeakPolarHBondContact CD2-O 2.98Å |
| 303 | D | 93 | Very high | 92.1 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 5% | 0.053 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 51.6 | -171.5 | -57.2 | -44.2 | 0 | 0 | 0 | 111.3 | K173 G305 I333 W334 N335 S422 V423 G424 | K173-D303 WeakPolarHBondContact CD-OD2 3.48Å; K173-D303 WeakPolarHBondContact CE-OD2 3.48Å; K173-D303 WeakPolarHBondContact CG-OD2 3.38Å; K173-D303 IonicContact NZ-OD2 3.25Å; K173-D303 PolarHBondContact NZ-OD2 3.38Å; D303-G305 PolarHBondContact O-N 2.98Å; D303-I333 HydrophobicContact CB-CG2 3.96Å; D303-W334 CarbonylContact C-O 3.57Å; D303-W334 VanDerWaalsContact CA-O 3.22Å; D303-W334 WeakPolarHBondContact CA-O 3.25Å; D303-W334 PolarHBondContact N-O 2.88Å; D303-N335 PolarHBondContact N-O 2.84Å; D303-S422 WeakPolarHBondContact CB-O 3.33Å; D303-V423 VanDerWaalsContact O-CA 3.3Å; D303-V423 WeakPolarHBondContact O-CA 3.04Å; D303-G424 PolarHBondContact O-N 2.96Å |
| 304 | S | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.8 | -175.6 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | N301 F302 I333 W334 H337 | N301-S304 WeakPolarHBondContact ND2-CA 3.43Å; N301-S304 VanDerWaalsContact ND2-CB 3.26Å; N301-S304 WeakPolarHBondContact ND2-CB 3.33Å; N301-S304 PolarHBondContact ND2-OG 3.02Å; F302-S304 VanDerWaalsContact C-N 3.32Å; F302-S304 PolarHBondContact O-N 3.24Å; S304-I333 CarbonylContact O-C 3.58Å; S304-I333 WeakPolarHBondContact O-CA 3.17Å; S304-W334 PolarHBondContact N-O 3.16Å; S304-W334 PolarHBondContact O-N 2.94Å; S304-H337 VanDerWaalsContact CB-CB 3.41Å; S304-H337 WeakPolarHBondContact OG-CB 3.42Å |
| 305 | G | 90.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D303 M398 | D303-G305 PolarHBondContact O-N 2.98Å; G305-M398 PolarHBondContact N-O 3.44Å; G305-M398 VanDerWaalsContact O-CA 3.29Å; G305-M398 WeakPolarHBondContact O-CA 3.22Å; G305-M398 WeakPolarHBondContact O-CG 3.19Å |
| 306 | H | 85.9 | Confident | 90.6 | Very high | 25 Ų | 25 | 16.1 Ų | 16.1 | 12% | 0.116 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 90.2 | 167.3 | -173.3 | -157.2 | 0 | 0 | 0 | 108.1 | D331 T332 W334 F394 | H306-D331 WeakPolarHBondContact O-CA 3.47Å; H306-D331 WeakPolarHBondContact O-CB 3.26Å; H306-T332 WeakPolarHBondContact CB-O 3.27Å; H306-T332 PolarHBondContact N-O 3.29Å; H306-T332 PolarHBondContact O-N 2.73Å; H306-W334 AromaticContact ND1-NE1 3.98Å; H306-F394 AromaticContact CD2-CE2 3.6Å; H306-F394 AromaticContact CD2-CZ 3.89Å; H306-F394 AromaticContact NE2-CE2 3.95Å |
| 307 | D | 83.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -90.8 | 113.3 | 178.5 | 171.7 | 10.1 | 0 | 0 | 0 | 109.7 | D309 G310 N311 L312 | D307-D309 PolarHBondContact OD1-N 2.76Å; D307-D309 VanDerWaalsContact OD1-N 3.1Å; D307-G310 WeakPolarHBondContact OD1-CA 3.4Å; D307-G310 PolarHBondContact OD1-N 3.29Å; D307-G310 WeakPolarHBondContact OD2-CA 3.3Å; D307-G310 PolarHBondContact OD2-N 3.07Å; D307-N311 PolarHBondContact OD1-N 2.86Å; D307-N311 PolarHBondContact OD2-N 2.93Å; D307-L312 WeakPolarHBondContact OD2-CA 3.48Å; D307-L312 PolarHBondContact OD2-N 2.82Å | ||
| 308 | T | 78.1 | Confident | 89.8 | Confident | 56 Ų | 56 | 16.5 Ų | 16.5 | 34% | 0.344 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -93.2 | -16 | -174.8 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | K330 D331 | T308-K330 VanDerWaalsContact CG2-O 3.23Å; T308-K330 WeakPolarHBondContact CG2-O 3.49Å; T308-K330 PolarHBondContact OG1-O 3.14Å; T308-D331 WeakPolarHBondContact CB-OD1 3.06Å; T308-D331 PolarHBondContact N-OD1 2.96Å; T308-D331 PolarHBondContact OG1-OD1 3.27Å |
| 309 | D | 79.6 | Confident | 89.4 | Confident | 78 Ų | 78 | 16.9 Ų | 16.9 | 42% | 0.417 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -108.7 | -5.6 | -179.2 | 85.1 | 9 | 0 | 0 | 0 | 113.1 | D307 N311 R468 | D307-D309 PolarHBondContact OD1-N 2.76Å; D307-D309 VanDerWaalsContact OD1-N 3.1Å; D309-N311 VanDerWaalsContact CG-ND2 3.25Å; D309-N311 WeakPolarHBondContact OD1-CB 2.94Å; D309-N311 PolarHBondContact OD1-N 3.32Å; D309-N311 PolarHBondContact OD1-ND2 3.29Å; D309-N311 PolarHBondContact OD1-OD1 2.87Å; D309-N311 PolarHBondContact OD2-ND2 3.01Å; D309-R468 PolarHBondContact O-NH2 2.97Å |
| 310 | G | 80.9 | Confident | 89 | Confident | 28 Ų | 28 | 20.6 Ų | 20.6 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 73.9 | 21.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D307 R468 | D307-G310 WeakPolarHBondContact OD1-CA 3.4Å; D307-G310 PolarHBondContact OD1-N 3.29Å; D307-G310 WeakPolarHBondContact OD2-CA 3.3Å; D307-G310 PolarHBondContact OD2-N 3.07Å; G310-R468 PolarHBondContact O-NH2 3Å |
| 311 | N | 85.4 | Confident | 88.5 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 21% | 0.209 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -89.5 | -2.2 | -175.6 | 73.7 | 19.8 | 0 | 0 | 0 | 113.7 | D307 D309 I313 | D307-N311 PolarHBondContact OD1-N 2.86Å; D307-N311 PolarHBondContact OD2-N 2.93Å; D309-N311 VanDerWaalsContact CG-ND2 3.25Å; D309-N311 WeakPolarHBondContact OD1-CB 2.94Å; D309-N311 PolarHBondContact OD1-N 3.32Å; D309-N311 PolarHBondContact OD1-ND2 3.29Å; D309-N311 PolarHBondContact OD1-OD1 2.87Å; D309-N311 PolarHBondContact OD2-ND2 3.01Å; N311-I313 VanDerWaalsContact C-N 3.28Å; N311-I313 VanDerWaalsContact OD1-CA 3.25Å; N311-I313 WeakPolarHBondContact OD1-CA 3.38Å; N311-I313 WeakPolarHBondContact OD1-CB 3.1Å; N311-I313 PolarHBondContact OD1-N 3.37Å; N311-I313 PolarHBondContact OD1-O 3.01Å |
| 312 | L | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 64.4 | 24.2 | -174.4 | -55 | 178.7 | 0 | 0 | 0 | 114.7 | D307 F396 A401 D402 F457 A460 L461 L464 | D307-L312 WeakPolarHBondContact OD2-CA 3.48Å; D307-L312 PolarHBondContact OD2-N 2.82Å; L312-F396 HydrophobicContact CD1-CD1 4.21Å; L312-F396 HydrophobicContact CD1-CE1 4.07Å; L312-F396 HydrophobicContact CD2-CD1 3.98Å; L312-A401 WeakPolarHBondContact O-CA 3.24Å; L312-D402 PolarHBondContact O-N 2.94Å; L312-F457 HydrophobicContact CB-CE2 3.96Å; L312-F457 HydrophobicContact CB-CZ 3.89Å; L312-F457 HydrophobicContact CD1-CE2 4.17Å; L312-F457 HydrophobicContact CD1-CZ 4.33Å; L312-A460 HydrophobicContact CD1-CB 4.31Å; L312-L461 HydrophobicContact CD1-CB 4.24Å; L312-L461 HydrophobicContact CD1-CD1 4.31Å; L312-L464 HydrophobicContact CD1-CD1 3.69Å; L312-L464 HydrophobicContact CD2-CD1 3.89Å; L312-L464 HydrophobicContact CG-CD1 3.61Å |
| 313 | I | 88.7 | Confident | 87.7 | Confident | 37 Ų | 37 | 27.2 Ų | 27.2 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.8 | 179.8 | -56.9 | 174.7 | 0 | 0 | 0 | 108.4 | N311 D402 M404 | N311-I313 VanDerWaalsContact C-N 3.28Å; N311-I313 VanDerWaalsContact OD1-CA 3.25Å; N311-I313 WeakPolarHBondContact OD1-CA 3.38Å; N311-I313 WeakPolarHBondContact OD1-CB 3.1Å; N311-I313 PolarHBondContact OD1-N 3.37Å; N311-I313 PolarHBondContact OD1-O 3.01Å; I313-D402 CarbonylContact C-O 3.55Å; I313-D402 VanDerWaalsContact CA-O 3.27Å; I313-D402 WeakPolarHBondContact CA-O 3.44Å; I313-M404 HydrophobicContact CG2-CB 4Å; I313-M404 HydrophobicContact CG2-CG 3.38Å |
| 314 | I | 86.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122 | 175.8 | -62.5 | 172 | 0 | 0 | 0 | 109 | D331 I333 A401 D402 C403 M404 V423 | I314-D331 HydrophobicContact CB-CB 4.32Å; I314-D331 HydrophobicContact CG1-CB 4.33Å; I314-D331 HydrophobicContact CG2-CB 3.81Å; I314-I333 HydrophobicContact CB-CG1 4.42Å; I314-I333 HydrophobicContact CD1-CG1 4.03Å; I314-I333 HydrophobicContact CG2-CD1 4.27Å; I314-I333 HydrophobicContact CG2-CG1 3.71Å; I314-A401 HydrophobicContact CD1-CB 3.75Å; I314-A401 HydrophobicContact CG1-CB 3.96Å; I314-D402 PolarHBondContact N-O 3.35Å; I314-C403 WeakPolarHBondContact O-CA 3.37Å; I314-M404 PolarHBondContact O-N 2.88Å; I314-V423 HydrophobicContact CD1-CG2 4.23Å |
| 315 | D | 88.6 | Confident | 87.1 | Confident | 26 Ų | 26 | 28 Ų | 28 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.1 | -178.9 | -68.9 | -45.7 | 0 | 0 | 0 | 112.3 | Y317 M404 W406 | D315-Y317 HydrophobicContact CB-CE2 3.76Å; D315-M404 WeakPolarHBondContact CA-O 3.4Å; D315-M404 WeakPolarHBondContact OD1-CB 3.41Å; D315-W406 PolarHBondContact OD1-NE1 2.59Å |
| 316 | E | 89 | Confident | 86.4 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.3 | 170.2 | -73.8 | -161.1 | 141.8 | 0 | 0 | 111.5 | Y318 M404 S405 W406 R595 | E316-Y318 HydrophobicContact CB-CE2 3.83Å; E316-Y318 PolarHBondContact OE2-OH 3.01Å; E316-M404 PolarHBondContact N-O 2.84Å; E316-S405 CarbonylContact O-C 3.46Å; E316-S405 WeakPolarHBondContact O-CA 3.27Å; E316-W406 PolarHBondContact O-N 3.36Å; E316-R595 IonicContact OE1-CZ 3.84Å; E316-R595 IonicContact OE1-NH1 3.29Å; E316-R595 PolarHBondContact OE1-NH1 3.03Å; E316-R595 IonicContact OE1-NH2 2.72Å; E316-R595 IonicContact OE2-NH1 2.65Å; E316-R595 PolarHBondContact OE2-NH1 3.21Å |
| 317 | Y | 90.3 | Very high | 85.7 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.6 | -177.9 | -62.5 | -87.4 | 0 | 0 | 0 | 112.2 | D315 I324 L325 K328 W406 V408 E413 | D315-Y317 HydrophobicContact CB-CE2 3.76Å; Y317-I324 WeakPolarHBondContact O-CA 3.07Å; Y317-L325 PolarHBondContact O-N 3.22Å; Y317-K328 HydrophobicContact CD1-CD 4.29Å; Y317-K328 HydrophobicContact CD2-CB 3.82Å; Y317-K328 HydrophobicContact CE2-CB 4.33Å; Y317-K328 HydrophobicContact CG-CB 4.05Å; Y317-K328 HydrophobicContact CG-CD 4.29Å; Y317-W406 CarbonylContact C-O 3.5Å; Y317-W406 WeakPolarHBondContact CA-O 3.29Å; Y317-W406 HydrophobicContact CD1-CB 3.61Å; Y317-W406 HydrophobicContact CD1-CG 4.17Å; Y317-W406 HydrophobicContact CE1-CB 3.82Å; Y317-W406 AromaticContact CE1-CD1 3.95Å; Y317-W406 AromaticContact CE1-CG 3.91Å; Y317-W406 HydrophobicContact CE1-CG 3.91Å; Y317-W406 HydrophobicContact CG-CB 4.47Å; Y317-V408 HydrophobicContact CD1-CG2 3.79Å; Y317-V408 HydrophobicContact CG-CG2 4.4Å; Y317-E413 HydrophobicContact CE1-CG 4.14Å |
| 318 | Y | 91 | Very high | 85 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.2 | 178.2 | -64.9 | -99.3 | 0 | 0 | 0 | 110.3 | E316 R323 I324 W406 L407 V408 R595 L610 | E316-Y318 HydrophobicContact CB-CE2 3.83Å; E316-Y318 PolarHBondContact OE2-OH 3.01Å; Y318-R323 VanDerWaalsContact CA-O 3.27Å; Y318-R323 WeakPolarHBondContact CA-O 3.49Å; Y318-I324 HydrophobicContact CD1-CG1 3.85Å; Y318-I324 HydrophobicContact CE1-CD1 4.04Å; Y318-I324 HydrophobicContact CE1-CG1 3.32Å; Y318-W406 PolarHBondContact N-O 2.77Å; Y318-L407 CarbonylContact O-C 3.51Å; Y318-L407 WeakPolarHBondContact O-CA 3.35Å; Y318-V408 PolarHBondContact O-N 3.36Å; Y318-R595 PolarHBondContact OH-NH1 3.38Å; Y318-L610 HydrophobicContact CD1-CD1 4.01Å; Y318-L610 HydrophobicContact CD1-CD2 4.22Å; Y318-L610 HydrophobicContact CD2-CD2 3.77Å; Y318-L610 HydrophobicContact CE1-CD1 4.02Å; Y318-L610 HydrophobicContact CE1-CD2 3.99Å; Y318-L610 HydrophobicContact CE2-CD2 3.56Å; Y318-L610 HydrophobicContact CG-CD1 4.48Å; Y318-L610 HydrophobicContact CG-CD2 4.13Å |
| 319 | D | 91.2 | Very high | 84.3 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | trans | -105.2 | -178.5 | 166.2 | 75.6 | 16.6 | 0 | 0 | 0 | 112.7 | T321 G322 R323 L325 L407 L599 | D319-T321 PolarHBondContact O-N 2.78Å; D319-T321 VanDerWaalsContact O-N 3.15Å; D319-T321 WeakPolarHBondContact OD1-CA 3.46Å; D319-T321 WeakPolarHBondContact OD1-CB 3.47Å; D319-T321 PolarHBondContact OD1-N 2.71Å; D319-T321 PolarHBondContact OD1-OG1 3.44Å; D319-G322 PolarHBondContact O-N 3.16Å; D319-R323 PolarHBondContact N-O 3.33Å; D319-R323 VanDerWaalsContact N-O 3.09Å; D319-R323 WeakPolarHBondContact OD1-CG 3.4Å; D319-R323 WeakPolarHBondContact OD2-CG 3.02Å; D319-R323 IonicContact OD2-CZ 2.7Å; D319-R323 VanDerWaalsContact OD2-CZ 3.23Å; D319-R323 IonicContact OD2-NE 3.84Å; D319-R323 PolarHBondContact OD2-NE 2.99Å; D319-R323 IonicContact OD2-NH2 2.7Å; D319-R323 PolarHBondContact OD2-NH2 3.32Å; D319-L325 HydrophobicContact CB-CD1 4.26Å; D319-L325 HydrophobicContact CB-CD2 4.13Å; D319-L325 HydrophobicContact CB-CG 4.38Å; D319-L407 VanDerWaalsContact C-CD1 3.45Å; D319-L407 WeakPolarHBondContact O-CD1 3.2Å; D319-L599 WeakPolarHBondContact O-CD2 3.24Å | ||
| 320 | N | 89.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.1 | -178.5 | 63.2 | -9.3 | 0 | 0 | 0 | 114.4 | G322 N542 | N320-G322 VanDerWaalsContact C-N 3.31Å; N320-N542 PolarHBondContact O-ND2 3.05Å |
| 321 | T | 88.8 | Confident | 83.3 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.1 | 173.3 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | D319 R323 Q560 | D319-T321 PolarHBondContact O-N 2.78Å; D319-T321 VanDerWaalsContact O-N 3.15Å; D319-T321 WeakPolarHBondContact OD1-CA 3.46Å; D319-T321 WeakPolarHBondContact OD1-CB 3.47Å; D319-T321 PolarHBondContact OD1-N 2.71Å; D319-T321 PolarHBondContact OD1-OG1 3.44Å; T321-R323 VanDerWaalsContact C-N 3.31Å; T321-Q560 PolarHBondContact OG1-NE2 3.25Å |
| 322 | G | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 83.3 | 2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D319 N320 S597 | D319-G322 PolarHBondContact O-N 3.16Å; N320-G322 VanDerWaalsContact C-N 3.31Å; G322-S597 WeakPolarHBondContact O-CB 3.33Å; G322-S597 PolarHBondContact O-OG 3.05Å |
| 323 | R | 89.8 | Confident | 82.8 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -76.7 | 153.3 | 174.6 | 80.6 | -179.5 | 171.9 | 177.3 | -8.2 | 111.3 | Y318 D319 T321 | Y318-R323 VanDerWaalsContact CA-O 3.27Å; Y318-R323 WeakPolarHBondContact CA-O 3.49Å; D319-R323 PolarHBondContact N-O 3.33Å; D319-R323 VanDerWaalsContact N-O 3.09Å; D319-R323 WeakPolarHBondContact OD1-CG 3.4Å; D319-R323 WeakPolarHBondContact OD2-CG 3.02Å; D319-R323 IonicContact OD2-CZ 2.7Å; D319-R323 VanDerWaalsContact OD2-CZ 3.23Å; D319-R323 IonicContact OD2-NE 3.84Å; D319-R323 PolarHBondContact OD2-NE 2.99Å; D319-R323 IonicContact OD2-NH2 2.7Å; D319-R323 PolarHBondContact OD2-NH2 3.32Å; T321-R323 VanDerWaalsContact C-N 3.31Å | ||
| 324 | I | 88.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -83 | 137.4 | 174.1 | -60.1 | 168.8 | 0 | 0 | 0 | 109.5 | Y317 Y318 P554 R595 | Y317-I324 WeakPolarHBondContact O-CA 3.07Å; Y318-I324 HydrophobicContact CD1-CG1 3.85Å; Y318-I324 HydrophobicContact CE1-CD1 4.04Å; Y318-I324 HydrophobicContact CE1-CG1 3.32Å; I324-P554 HydrophobicContact CB-CB 4.21Å; I324-P554 HydrophobicContact CB-CG 3.95Å; I324-P554 HydrophobicContact CG2-CG 3.81Å; I324-R595 VanDerWaalsContact CD1-CD 3.41Å |
| 325 | L | 86.3 | Confident | 82.9 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.12 | 20% | 0.199 | C | C | . | . | trans | -93.8 | 99.1 | 177.7 | -60.3 | 179.7 | 0 | 0 | 0 | 110.3 | Y317 D319 N327 V408 | Y317-L325 PolarHBondContact O-N 3.22Å; D319-L325 HydrophobicContact CB-CD1 4.26Å; D319-L325 HydrophobicContact CB-CD2 4.13Å; D319-L325 HydrophobicContact CB-CG 4.38Å; L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 2.92Å; L325-V408 HydrophobicContact CD1-CB 3.83Å; L325-V408 HydrophobicContact CD1-CG1 4.42Å; L325-V408 HydrophobicContact CD1-CG2 3.85Å | ||
| 326 | G | 75 | Confident | 83.2 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -65.8 | -29 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K328 K329 | G326-K328 PolarHBondContact O-N 2.87Å; G326-K329 PolarHBondContact O-N 3.43Å |
| 327 | N | 71.4 | Confident | 83.6 | Confident | 143 Ų | 143 | 38.1 Ų | 38.1 | 77% | 0.765 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -74.2 | -3 | -176.3 | 66.5 | -29 | 0 | 0 | 0 | 115.2 | L325 | L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 2.92Å |
| 328 | K | 68.8 | Low | 83.9 | Confident | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -111.8 | 5.7 | 177.1 | -82.3 | -164.2 | 160.9 | -157.3 | 0 | 113.5 | Y317 G326 V408 E413 | Y317-K328 HydrophobicContact CD1-CD 4.29Å; Y317-K328 HydrophobicContact CD2-CB 3.82Å; Y317-K328 HydrophobicContact CE2-CB 4.33Å; Y317-K328 HydrophobicContact CG-CB 4.05Å; Y317-K328 HydrophobicContact CG-CD 4.29Å; G326-K328 PolarHBondContact O-N 2.87Å; K328-V408 HydrophobicContact CD-CG2 4.15Å; K328-E413 IonicContact NZ-OE1 3.8Å; K328-E413 PolarHBondContact NZ-OE1 3.48Å |
| 329 | K | 63.8 | Low | 84.3 | Confident | 37 Ų | 37 | 37 Ų | 37 | 16% | 0.161 | 19% | 0.186 | C | C | . | . | trans | -83.7 | 117.3 | -177.2 | -70.6 | -163.9 | 175.3 | -169.1 | 0 | 111.5 | G326 T332 G552 | G326-K329 PolarHBondContact O-N 3.43Å; K329-T332 HydrophobicContact CD-CG2 3.9Å; K329-G552 PolarHBondContact NZ-O 3.16Å | ||
| 330 | K | 65.8 | Low | 84.7 | Confident | 175 Ų | 175 | 36.3 Ų | 36.3 | 76% | 0.761 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -91.9 | -42.7 | 155.3 | -72.2 | -173.2 | 176.6 | -175.7 | 0 | 109.8 | T308 | T308-K330 VanDerWaalsContact CG2-O 3.23Å; T308-K330 WeakPolarHBondContact CG2-O 3.49Å; T308-K330 PolarHBondContact OG1-O 3.14Å |
| 331 | D | 74.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -99.7 | 154.4 | 178 | -49.7 | -45.1 | 0 | 0 | 0 | 111.9 | H306 T308 I314 | H306-D331 WeakPolarHBondContact O-CA 3.47Å; H306-D331 WeakPolarHBondContact O-CB 3.26Å; T308-D331 WeakPolarHBondContact CB-OD1 3.06Å; T308-D331 PolarHBondContact N-OD1 2.96Å; T308-D331 PolarHBondContact OG1-OD1 3.27Å; I314-D331 HydrophobicContact CB-CB 4.32Å; I314-D331 HydrophobicContact CG1-CB 4.33Å; I314-D331 HydrophobicContact CG2-CB 3.81Å |
| 332 | T | 79.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 148 | 179.3 | 45.2 | 0 | 0 | 0 | 0 | 111.2 | H306 K329 W334 | H306-T332 WeakPolarHBondContact CB-O 3.27Å; H306-T332 PolarHBondContact N-O 3.29Å; H306-T332 PolarHBondContact O-N 2.73Å; K329-T332 HydrophobicContact CD-CG2 3.9Å; T332-W334 PolarHBondContact OG1-NE1 2.82Å; T332-W334 VanDerWaalsContact OG1-NE1 3.09Å |
| 333 | I | 84.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.046 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 110.9 | 163.8 | -57.5 | -178 | 0 | 0 | 0 | 106.5 | D303 S304 I314 C403 V423 G552 | D303-I333 HydrophobicContact CB-CG2 3.96Å; S304-I333 CarbonylContact O-C 3.58Å; S304-I333 WeakPolarHBondContact O-CA 3.17Å; I314-I333 HydrophobicContact CB-CG1 4.42Å; I314-I333 HydrophobicContact CD1-CG1 4.03Å; I314-I333 HydrophobicContact CG2-CD1 4.27Å; I314-I333 HydrophobicContact CG2-CG1 3.71Å; I333-C403 HydrophobicContact CD1-CB 3.92Å; I333-V423 HydrophobicContact CD1-CG2 4.04Å; I333-V423 HydrophobicContact CG1-CG2 4.48Å; I333-G552 WeakPolarHBondContact O-CA 3.25Å |
| 334 | W | 89.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 29 Ų | 29 | 6% | 0.057 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.7 | 177.7 | -69.4 | 33.8 | 0 | 0 | 0 | 108.7 | W242 C278 D303 S304 H306 T332 F336 H337 T362 Q364 H550 D551 | W242-W334 AromaticContact CE2-CH2 3.94Å; W242-W334 AromaticContact CZ2-CH2 3.98Å; W242-W334 HydrophobicContact CZ2-CH2 3.98Å; W242-W334 HydrophobicContact CZ2-CZ3 4.32Å; W242-W334 AromaticContact NE1-CH2 3.78Å; W242-W334 AromaticContact NE1-CZ3 3.81Å; C278-W334 HydrophobicContact CB-CZ3 4.27Å; D303-W334 CarbonylContact C-O 3.57Å; D303-W334 VanDerWaalsContact CA-O 3.22Å; D303-W334 WeakPolarHBondContact CA-O 3.25Å; D303-W334 PolarHBondContact N-O 2.88Å; S304-W334 PolarHBondContact N-O 3.16Å; S304-W334 PolarHBondContact O-N 2.94Å; H306-W334 AromaticContact ND1-NE1 3.98Å; T332-W334 PolarHBondContact OG1-NE1 2.82Å; T332-W334 VanDerWaalsContact OG1-NE1 3.09Å; W334-F336 PolarHBondContact O-N 2.92Å; W334-H337 HydrophobicContact CE3-CB 4.31Å; W334-H337 AromaticContact CE3-ND1 3.84Å; W334-H337 AromaticContact CZ3-ND1 3.82Å; W334-T362 HydrophobicContact CH2-CG2 4.41Å; W334-Q364 HydrophobicContact CZ2-CG 4.49Å; W334-H550 AromaticContact CE3-CD2 3.7Å; W334-H550 AromaticContact CE3-NE2 3.54Å; W334-H550 AromaticContact CZ3-CD2 3.77Å; W334-H550 AromaticContact CZ3-NE2 3.75Å; W334-D551 VanDerWaalsContact CD1-O 3.27Å; W334-D551 HydrophobicContact CD2-CB 3.99Å; W334-D551 HydrophobicContact CG-CB 4.3Å; W334-D551 HydrophobicContact CZ2-CB 3.98Å |
| 335 | N | 88.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | -39.6 | -179.1 | -61.1 | -69.3 | 0 | 0 | 0 | 111.1 | D303 L548 L549 H550 L593 | D303-N335 PolarHBondContact N-O 2.84Å; N335-L548 WeakPolarHBondContact OD1-CD1 3.44Å; N335-L549 PolarHBondContact ND2-O 3.17Å; N335-H550 PolarHBondContact N-O 3.37Å; N335-H550 PolarHBondContact ND2-O 2.86Å; N335-L593 HydrophobicContact CB-CD1 3.47Å; N335-L593 VanDerWaalsContact CB-CD1 3.47Å; N335-L593 VanDerWaalsContact ND2-CD1 3.3Å; N335-L593 WeakPolarHBondContact ND2-CD1 3.46Å |
| 336 | F | 93.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157.2 | 160.9 | 65.4 | -85.2 | 0 | 0 | 0 | 109.3 | Q170 G171 W279 T300 N301 F302 W334 V338 H550 | Q170-F336 HydrophobicContact CB-CE1 4.02Å; Q170-F336 HydrophobicContact CB-CE2 4.17Å; Q170-F336 HydrophobicContact CB-CZ 3.72Å; Q170-F336 HydrophobicContact CG-CE1 4.47Å; Q170-F336 HydrophobicContact CG-CE2 3.82Å; Q170-F336 HydrophobicContact CG-CZ 3.68Å; G171-F336 WeakPolarHBondContact O-CD1 3.08Å; W279-F336 HydrophobicContact CE3-CE2 4.05Å; W279-F336 HydrophobicContact CE3-CZ 4.15Å; W279-F336 HydrophobicContact CZ3-CZ 4.26Å; T300-F336 HydrophobicContact CG2-CB 3.82Å; T300-F336 HydrophobicContact CG2-CD2 3.96Å; T300-F336 HydrophobicContact CG2-CG 4.21Å; N301-F336 CarbonylContact O-C 3.54Å; N301-F336 WeakPolarHBondContact O-CA 3.42Å; N301-F336 WeakPolarHBondContact O-CB 3.36Å; F302-F336 HydrophobicContact CD1-CB 3.65Å; F302-F336 HydrophobicContact CE1-CB 3.87Å; F302-F336 HydrophobicContact CE1-CG 4.37Å; F302-F336 HydrophobicContact CG-CB 4.28Å; W334-F336 PolarHBondContact O-N 2.92Å; F336-V338 HydrophobicContact CD2-CG2 3.65Å; F336-V338 HydrophobicContact CE2-CG2 3.8Å; F336-H550 AromaticContact CD2-CE1 3.77Å; F336-H550 AromaticContact CE1-CE1 3.71Å; F336-H550 AromaticContact CE1-ND1 3.69Å; F336-H550 AromaticContact CE2-CE1 3.39Å; F336-H550 WeakPolarHBondContact CE2-CE1 3.19Å; F336-H550 AromaticContact CZ-CE1 3.35Å; F336-H550 WeakPolarHBondContact CZ-CE1 3.47Å; F336-H550 AromaticContact CZ-ND1 3.56Å; F336-H550 PolarHBondContact O-CE1 3Å; F336-H550 PolarHBondContact O-NE2 3.34Å |
| 337 | H | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.6 | 171 | -175.8 | 38.8 | 0 | 0 | 0 | 109.3 | C278 T300 N301 S304 W334 W339 D360 T362 Q364 M398 | C278-H337 VanDerWaalsContact CB-ND1 3.27Å; C278-H337 WeakPolarHBondContact CB-ND1 3.44Å; T300-H337 CarbonylContact C-O 3.55Å; T300-H337 WeakPolarHBondContact CA-O 3.28Å; N301-H337 PolarHBondContact N-O 2.71Å; N301-H337 PolarHBondContact O-N 2.87Å; S304-H337 VanDerWaalsContact CB-CB 3.41Å; S304-H337 WeakPolarHBondContact OG-CB 3.42Å; W334-H337 HydrophobicContact CE3-CB 4.31Å; W334-H337 AromaticContact CE3-ND1 3.84Å; W334-H337 AromaticContact CZ3-ND1 3.82Å; H337-W339 AromaticContact CD2-CE3 3.64Å; H337-W339 AromaticContact CD2-CZ3 3.95Å; H337-D360 IonicContact CD2-OD2 3.36Å; H337-D360 IonicContact CE1-OD1 3.88Å; H337-D360 IonicContact CE1-OD2 2.82Å; H337-D360 PolarHBondContact CE1-OD2 2.96Å; H337-D360 IonicContact NE2-OD1 2.92Å; H337-D360 IonicContact NE2-OD2 2.72Å; H337-D360 PolarHBondContact NE2-OD2 3.49Å; H337-T362 PolarHBondContact CE1-OG1 2.79Å; H337-Q364 PolarHBondContact NE2-OE1 3.27Å; H337-M398 VanDerWaalsContact CD2-SD 3.58Å |
| 338 | V | 98.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.8 | -173 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | I168 C278 W279 A282 V298 I299 T300 F336 | I168-V338 HydrophobicContact CG2-CG1 3.87Å; I168-V338 HydrophobicContact CG2-CG2 4.13Å; C278-V338 HydrophobicContact CB-CB 4.43Å; W279-V338 HydrophobicContact CB-CB 4.15Å; W279-V338 HydrophobicContact CB-CG1 4.32Å; W279-V338 HydrophobicContact CB-CG2 3.91Å; A282-V338 HydrophobicContact CB-CB 4.34Å; A282-V338 HydrophobicContact CB-CG1 3.69Å; V298-V338 HydrophobicContact CG1-CG1 3.27Å; I299-V338 CarbonylContact O-C 3.55Å; I299-V338 VanDerWaalsContact O-CA 3.23Å; I299-V338 WeakPolarHBondContact O-CA 3.41Å; I299-V338 VanDerWaalsContact O-CG1 3.28Å; I299-V338 WeakPolarHBondContact O-CG1 3.45Å; T300-V338 HydrophobicContact CG2-CG2 4.26Å; F336-V338 HydrophobicContact CD2-CG2 3.65Å; F336-V338 HydrophobicContact CE2-CG2 3.8Å |
| 339 | W | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | -171.9 | 177.6 | 63.9 | 75.1 | 0 | 0 | 0 | 111.2 | I299 N301 H337 V358 D360 M398 V399 Y444 | I299-W339 HydrophobicContact CB-CG 4.37Å; I299-W339 HydrophobicContact CG2-CZ2 4.02Å; I299-W339 PolarHBondContact N-O 2.87Å; I299-W339 PolarHBondContact O-N 3.26Å; N301-W339 HydrophobicContact CB-CE3 4.42Å; N301-W339 HydrophobicContact CB-CH2 3.27Å; N301-W339 HydrophobicContact CB-CZ2 4.13Å; N301-W339 HydrophobicContact CB-CZ3 3.44Å; N301-W339 VanDerWaalsContact CB-CZ3 3.44Å; H337-W339 AromaticContact CD2-CE3 3.64Å; H337-W339 AromaticContact CD2-CZ3 3.95Å; W339-V358 HydrophobicContact CD2-CG1 4.39Å; W339-V358 HydrophobicContact CG-CG1 4.06Å; W339-D360 HydrophobicContact CB-CB 3.86Å; W339-M398 HydrophobicContact CE3-CE 4.01Å; W339-M398 HydrophobicContact CE3-SD 4.2Å; W339-M398 HydrophobicContact CH2-CE 4.47Å; W339-M398 HydrophobicContact CZ3-CB 4.44Å; W339-M398 HydrophobicContact CZ3-CE 3.94Å; W339-M398 HydrophobicContact CZ3-SD 3.92Å; W339-V399 HydrophobicContact CH2-CG1 3.84Å; W339-V399 HydrophobicContact CZ2-CG1 4.4Å; W339-Y444 HydrophobicContact CZ2-CD1 4.43Å; W339-Y444 AromaticContact CZ2-CE1 3.65Å; W339-Y444 HydrophobicContact CZ2-CE1 3.65Å; W339-Y444 AromaticContact CZ2-CZ 3.85Å; W339-Y444 AromaticContact NE1-CZ 3.89Å; W339-Y444 PolarHBondContact NE1-OH 3.47Å |
| 340 | N | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.5 | 177.6 | -63.1 | 98.9 | 0 | 0 | 0 | 112.4 | A282 M285 T296 R297 V358 L359 | A282-N340 WeakPolarHBondContact CA-OD1 3.46Å; A282-N340 PolarHBondContact O-ND2 2.87Å; A282-N340 PolarHBondContact O-OD1 3.48Å; M285-N340 WeakPolarHBondContact CB-OD1 3.39Å; M285-N340 HydrophobicContact SD-CB 4.21Å; M285-N340 PolarHBondContact SD-OD1 3Å; T296-N340 HydrophobicContact CG2-CB 4.04Å; R297-N340 WeakPolarHBondContact O-CA 3.16Å; N340-V358 CarbonylContact O-C 3.57Å; N340-V358 WeakPolarHBondContact O-CA 3.34Å; N340-L359 PolarHBondContact N-O 3.38Å; N340-L359 PolarHBondContact O-N 3.39Å |
| 341 | E | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.6 | 158.8 | -83.2 | 177.6 | -163 | 0 | 0 | 109.4 | T296 R297 I299 W356 Q357 V378 Y444 | T296-E341 VanDerWaalsContact CA-O 3.28Å; T296-E341 WeakPolarHBondContact CA-O 3.44Å; R297-E341 HydrophobicContact CG-CB 3.91Å; R297-E341 IonicContact CZ-OE2 2.67Å; R297-E341 PolarHBondContact N-O 3.45Å; R297-E341 IonicContact NE-OE2 3.74Å; R297-E341 PolarHBondContact NE-OE2 3.49Å; R297-E341 IonicContact NH2-OE1 3.93Å; R297-E341 IonicContact NH2-OE2 2.84Å; R297-E341 PolarHBondContact NH2-OE2 2.91Å; R297-E341 PolarHBondContact O-N 3.12Å; I299-E341 HydrophobicContact CD1-CB 4.39Å; I299-E341 HydrophobicContact CD1-CG 4.19Å; I299-E341 HydrophobicContact CG1-CB 4.07Å; I299-E341 HydrophobicContact CG1-CG 3.66Å; E341-W356 HydrophobicContact CB-CB 4.31Å; E341-W356 HydrophobicContact CB-CD2 4.17Å; E341-W356 HydrophobicContact CB-CE3 3.65Å; E341-W356 HydrophobicContact CB-CG 4.49Å; E341-W356 HydrophobicContact CB-CZ3 4.33Å; E341-W356 HydrophobicContact CG-CB 4.23Å; E341-W356 WeakPolarHBondContact O-CZ3 3.36Å; E341-W356 WeakPolarHBondContact OE2-CB 3.13Å; E341-W356 VanDerWaalsContact OE2-CG 3.25Å; E341-Q357 CarbonylContact C-O 3.46Å; E341-Q357 VanDerWaalsContact CA-O 3.27Å; E341-Q357 WeakPolarHBondContact CA-O 3.41Å; E341-V378 HydrophobicContact CG-CG2 4.01Å; E341-Y444 WeakPolarHBondContact CG-OH 3.49Å; E341-Y444 WeakPolarHBondContact OE1-CE2 3.48Å; E341-Y444 PolarHBondContact OE1-OH 2.82Å |
| 342 | C | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.2 | 174.3 | -61.9 | 0 | 0 | 0 | 0 | 110 | I294 P295 T296 M344 Q357 L359 | I294-C342 HydrophobicContact CG2-CB 3.97Å; P295-C342 WeakPolarHBondContact O-CA 3.32Å; T296-C342 PolarHBondContact OG1-SG 2.9Å; C342-M344 HydrophobicContact CB-CE 3.39Å; C342-Q357 PolarHBondContact N-O 3.23Å; C342-Q357 PolarHBondContact O-N 2.67Å; C342-L359 HydrophobicContact CB-CD1 3.66Å; C342-L359 VanDerWaalsContact SG-CD1 3.5Å |
| 343 | W | 98.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.5 | -179.8 | -177.8 | -91.9 | 0 | 0 | 0 | 111 | Y150 L151 P295 W356 | Y150-W343 PolarHBondContact O-NE1 2.86Å; L151-W343 HydrophobicContact CD1-CD2 3.53Å; L151-W343 VanDerWaalsContact CD1-CE2 3.4Å; L151-W343 HydrophobicContact CD1-CE3 4.04Å; L151-W343 HydrophobicContact CD1-CG 3.84Å; L151-W343 HydrophobicContact CD1-CH2 4.26Å; L151-W343 HydrophobicContact CD1-CZ2 3.8Å; L151-W343 HydrophobicContact CD1-CZ3 4.37Å; P295-W343 HydrophobicContact CB-CB 3.99Å; P295-W343 HydrophobicContact CG-CB 4.3Å; P295-W343 PolarHBondContact O-N 3.38Å; W343-W356 HydrophobicContact CB-CD2 4.49Å; W343-W356 HydrophobicContact CB-CE3 3.89Å; W343-W356 HydrophobicContact CB-CH2 4.07Å; W343-W356 HydrophobicContact CB-CZ3 3.68Å; W343-W356 AromaticContact CE3-CD1 3.92Å; W343-W356 AromaticContact CE3-CD2 3.76Å; W343-W356 HydrophobicContact CE3-CD2 3.76Å; W343-W356 AromaticContact CE3-CE2 3.66Å; W343-W356 HydrophobicContact CE3-CE3 4.31Å; W343-W356 AromaticContact CE3-CG 3.93Å; W343-W356 HydrophobicContact CE3-CG 3.93Å; W343-W356 HydrophobicContact CE3-CZ2 4.16Å; W343-W356 AromaticContact CE3-NE1 3.73Å; W343-W356 AromaticContact CZ3-CD1 3.91Å; W343-W356 HydrophobicContact CZ3-CD2 4.5Å; W343-W356 HydrophobicContact CZ3-CG 4.32Å; W343-W356 AromaticContact CZ3-NE1 3.81Å |
| 344 | M | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.4 | 174.8 | 66.1 | -163.7 | 74.2 | 0 | 0 | 113 | A148 V149 P218 V219 S222 I294 C342 G354 G355 Q357 | A148-M344 CarbonylContact O-C 3.5Å; A148-M344 VanDerWaalsContact O-CA 3.28Å; A148-M344 WeakPolarHBondContact O-CA 3.17Å; V149-M344 HydrophobicContact CG1-CB 4.35Å; P218-M344 HydrophobicContact CB-CB 4.23Å; P218-M344 HydrophobicContact CB-SD 4.18Å; P218-M344 HydrophobicContact CG-CB 4.03Å; P218-M344 HydrophobicContact CG-SD 4.43Å; V219-M344 HydrophobicContact CB-SD 4.48Å; V219-M344 HydrophobicContact CG2-SD 3.78Å; S222-M344 VanDerWaalsContact OG-CE 3.29Å; S222-M344 WeakPolarHBondContact OG-CE 3.36Å; I294-M344 HydrophobicContact CG2-CE 4.31Å; C342-M344 HydrophobicContact CB-CE 3.39Å; M344-G354 CarbonylContact O-C 3.51Å; M344-G354 WeakPolarHBondContact O-CA 3.43Å; M344-G355 PolarHBondContact N-O 3.1Å; M344-G355 PolarHBondContact O-N 2.75Å; M344-G355 VanDerWaalsContact O-O 3.14Å; M344-Q357 HydrophobicContact CE-CG 4.34Å; M344-Q357 HydrophobicContact CG-CG 3.59Å; M344-Q357 HydrophobicContact SD-CG 4.12Å |
| 345 | A | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | trans | -71.4 | 148 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A148 | A148-A345 HydrophobicContact CB-CB 4.32Å; A148-A345 PolarHBondContact O-N 3.32Å | ||
| 346 | R | 98.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.045 | 21% | 0.206 | C | C | . | . | trans | -119.2 | 76.6 | 179 | -69.5 | -63.4 | -59.2 | -81.7 | 2.7 | 111 | D348 L349 Q357 P375 N389 | R346-D348 WeakPolarHBondContact CA-OD1 3.4Å; R346-D348 IonicContact CZ-OD1 2.9Å; R346-D348 IonicContact CZ-OD2 3.38Å; R346-D348 IonicContact NE-OD1 2.66Å; R346-D348 PolarHBondContact NE-OD1 3.4Å; R346-D348 IonicContact NE-OD2 3.76Å; R346-D348 PolarHBondContact NE-OD2 3.38Å; R346-D348 IonicContact NH2-OD1 2.82Å; R346-D348 IonicContact NH2-OD2 2.93Å; R346-D348 PolarHBondContact NH2-OD2 2.84Å; R346-D348 PolarHBondContact O-N 3.19Å; R346-L349 HydrophobicContact CB-CB 4.02Å; R346-L349 HydrophobicContact CB-CD1 3.98Å; R346-L349 HydrophobicContact CB-CG 4Å; R346-L349 HydrophobicContact CG-CD1 4.17Å; R346-L349 PolarHBondContact O-N 3.47Å; R346-L349 VanDerWaalsContact O-N 3.11Å; R346-Q357 HydrophobicContact CG-CG 4.39Å; R346-P375 PolarHBondContact NH1-O 3.27Å; R346-N389 PolarHBondContact NH2-O 3.23Å | ||
| 347 | K | 96 | Very high | 98.1 | Very high | 172 Ų | 172 | 35 Ų | 35 | 75% | 0.748 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16 | 179.7 | -64.2 | -177.2 | -178.7 | 177.7 | 0 | 112.8 | L349 | K347-L349 VanDerWaalsContact C-N 3.35Š|
| 348 | D | 96.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 35 Ų | 35 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.3 | 173.8 | 61.2 | -54.2 | 0 | 0 | 0 | 113.5 | R346 | R346-D348 WeakPolarHBondContact CA-OD1 3.4Å; R346-D348 IonicContact CZ-OD1 2.9Å; R346-D348 IonicContact CZ-OD2 3.38Å; R346-D348 IonicContact NE-OD1 2.66Å; R346-D348 PolarHBondContact NE-OD1 3.4Å; R346-D348 IonicContact NE-OD2 3.76Å; R346-D348 PolarHBondContact NE-OD2 3.38Å; R346-D348 IonicContact NH2-OD1 2.82Å; R346-D348 IonicContact NH2-OD2 2.93Å; R346-D348 PolarHBondContact NH2-OD2 2.84Å; R346-D348 PolarHBondContact O-N 3.19Å |
| 349 | L | 98.1 | Very high | 98.2 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -111.6 | 165.7 | 178.4 | -62.8 | -172 | 0 | 0 | 0 | 111.7 | R346 K347 Y353 L388 | R346-L349 HydrophobicContact CB-CB 4.02Å; R346-L349 HydrophobicContact CB-CD1 3.98Å; R346-L349 HydrophobicContact CB-CG 4Å; R346-L349 HydrophobicContact CG-CD1 4.17Å; R346-L349 PolarHBondContact O-N 3.47Å; R346-L349 VanDerWaalsContact O-N 3.11Å; K347-L349 VanDerWaalsContact C-N 3.35Å; L349-Y353 HydrophobicContact CD1-CG 4.44Å; L349-L388 HydrophobicContact CD2-CB 4.29Å; L349-L388 HydrophobicContact CD2-CD2 4.49Å |
| 350 | P | 97.5 | Very high | 98.2 | Very high | 66 Ų | 66 | 35 Ų | 35 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | trans | -54.1 | 150.8 | 168.1 | -25.3 | 34.9 | 0 | 0 | 0 | 112.2 | G352 Y353 L388 | P350-G352 PolarHBondContact O-N 2.86Å; P350-Y353 HydrophobicContact CB-CD2 4.16Å; P350-Y353 HydrophobicContact CB-CE2 4.14Å; P350-Y353 HydrophobicContact CG-CE2 4.47Å; P350-Y353 WeakPolarHBondContact O-CD2 3.39Å; P350-L388 HydrophobicContact CG-CD2 4.5Å | ||
| 351 | P | 97.1 | Very high | 98.2 | Very high | 135 Ų | 135 | 35.1 Ų | 35.1 | 88% | 0.877 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 137.2 | 177.3 | -26.9 | 35.1 | 0 | 0 | 0 | 112.5 | ||
| 352 | G | 97.2 | Very high | 98.1 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | -6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | P350 R379 | P350-G352 PolarHBondContact O-N 2.86Å; G352-R379 WeakPolarHBondContact O-CD 3.19Å; G352-R379 PolarHBondContact O-NH1 2.99Å |
| 353 | Y | 98.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | trans | -98.8 | 8.4 | 178 | -66.7 | -70.7 | 0 | 0 | 0 | 114.9 | L349 P350 Q357 S377 R379 A380 E385 L388 | L349-Y353 HydrophobicContact CD1-CG 4.44Å; P350-Y353 HydrophobicContact CB-CD2 4.16Å; P350-Y353 HydrophobicContact CB-CE2 4.14Å; P350-Y353 HydrophobicContact CG-CE2 4.47Å; P350-Y353 WeakPolarHBondContact O-CD2 3.39Å; Y353-Q357 PolarHBondContact O-NE2 3.31Å; Y353-S377 VanDerWaalsContact O-CB 3.31Å; Y353-S377 WeakPolarHBondContact O-CB 3.37Å; Y353-S377 PolarHBondContact O-OG 3.2Å; Y353-R379 HydrophobicContact CD1-CB 4.2Å; Y353-R379 HydrophobicContact CD1-CG 4.27Å; Y353-R379 HydrophobicContact CE1-CG 4.24Å; Y353-A380 HydrophobicContact CD1-CB 3.88Å; Y353-A380 HydrophobicContact CE1-CB 3.98Å; Y353-E385 HydrophobicContact CE1-CG 4.33Å; Y353-E385 WeakPolarHBondContact OH-CG 3.33Å; Y353-L388 HydrophobicContact CD1-CD1 4.16Å; Y353-L388 HydrophobicContact CD2-CD1 3.86Å; Y353-L388 HydrophobicContact CE1-CD1 3.98Å; Y353-L388 HydrophobicContact CE2-CD1 3.68Å; Y353-L388 HydrophobicContact CG-CD1 4.12Å | ||
| 354 | G | 98.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | trans | -69.2 | -175.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M344 | M344-G354 CarbonylContact O-C 3.51Å; M344-G354 WeakPolarHBondContact O-CA 3.43Å | ||
| 355 | G | 98.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.4 | -139.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | M344 Q357 | M344-G355 PolarHBondContact N-O 3.1Å; M344-G355 PolarHBondContact O-N 2.75Å; M344-G355 VanDerWaalsContact O-O 3.14Å; G355-Q357 PolarHBondContact O-N 2.78Å; G355-Q357 PolarHBondContact O-NE2 3.41Å |
| 356 | W | 98.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 128.2 | -179.4 | -67 | 117.2 | 0 | 0 | 0 | 113 | Y160 R297 E341 W343 V378 | Y160-W356 HydrophobicContact CD1-CH2 4.4Å; Y160-W356 AromaticContact CD2-CH2 3.57Å; Y160-W356 HydrophobicContact CD2-CH2 3.57Å; Y160-W356 AromaticContact CD2-CZ2 3.76Å; Y160-W356 HydrophobicContact CD2-CZ2 3.76Å; Y160-W356 AromaticContact CE2-CH2 3.81Å; Y160-W356 HydrophobicContact CE2-CH2 3.81Å; Y160-W356 AromaticContact CE2-CZ2 3.52Å; Y160-W356 HydrophobicContact CE2-CZ2 3.52Å; Y160-W356 AromaticContact CG-CH2 3.9Å; Y160-W356 HydrophobicContact CG-CH2 3.9Å; Y160-W356 HydrophobicContact CG-CZ2 4.46Å; R297-W356 HydrophobicContact CG-CE3 4.49Å; R297-W356 HydrophobicContact CG-CH2 4.13Å; R297-W356 HydrophobicContact CG-CZ3 4.07Å; E341-W356 HydrophobicContact CB-CB 4.31Å; E341-W356 HydrophobicContact CB-CD2 4.17Å; E341-W356 HydrophobicContact CB-CE3 3.65Å; E341-W356 HydrophobicContact CB-CG 4.49Å; E341-W356 HydrophobicContact CB-CZ3 4.33Å; E341-W356 HydrophobicContact CG-CB 4.23Å; E341-W356 WeakPolarHBondContact O-CZ3 3.36Å; E341-W356 WeakPolarHBondContact OE2-CB 3.13Å; E341-W356 VanDerWaalsContact OE2-CG 3.25Å; W343-W356 HydrophobicContact CB-CD2 4.49Å; W343-W356 HydrophobicContact CB-CE3 3.89Å; W343-W356 HydrophobicContact CB-CH2 4.07Å; W343-W356 HydrophobicContact CB-CZ3 3.68Å; W343-W356 AromaticContact CE3-CD1 3.92Å; W343-W356 AromaticContact CE3-CD2 3.76Å; W343-W356 HydrophobicContact CE3-CD2 3.76Å; W343-W356 AromaticContact CE3-CE2 3.66Å; W343-W356 HydrophobicContact CE3-CE3 4.31Å; W343-W356 AromaticContact CE3-CG 3.93Å; W343-W356 HydrophobicContact CE3-CG 3.93Å; W343-W356 HydrophobicContact CE3-CZ2 4.16Å; W343-W356 AromaticContact CE3-NE1 3.73Å; W343-W356 AromaticContact CZ3-CD1 3.91Å; W343-W356 HydrophobicContact CZ3-CD2 4.5Å; W343-W356 HydrophobicContact CZ3-CG 4.32Å; W343-W356 AromaticContact CZ3-NE1 3.81Å; W356-V378 HydrophobicContact CB-CB 4.36Å; W356-V378 HydrophobicContact CB-CG2 3.87Å; W356-V378 WeakPolarHBondContact O-CG2 3.3Å; W356-V378 PolarHBondContact O-N 3.34Å |
| 357 | Q | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | 177.2 | -44 | -60.8 | -59.2 | 0 | 0 | 110.1 | E341 C342 M344 R346 Y353 G355 L359 P375 A376 S377 | E341-Q357 CarbonylContact C-O 3.46Å; E341-Q357 VanDerWaalsContact CA-O 3.27Å; E341-Q357 WeakPolarHBondContact CA-O 3.41Å; C342-Q357 PolarHBondContact N-O 3.23Å; C342-Q357 PolarHBondContact O-N 2.67Å; M344-Q357 HydrophobicContact CE-CG 4.34Å; M344-Q357 HydrophobicContact CG-CG 3.59Å; M344-Q357 HydrophobicContact SD-CG 4.12Å; R346-Q357 HydrophobicContact CG-CG 4.39Å; Y353-Q357 PolarHBondContact O-NE2 3.31Å; G355-Q357 PolarHBondContact O-N 2.78Å; G355-Q357 PolarHBondContact O-NE2 3.41Å; Q357-L359 PolarHBondContact O-N 3.08Å; Q357-P375 HydrophobicContact CB-CB 3.6Å; Q357-P375 HydrophobicContact CG-CB 4.18Å; Q357-A376 CarbonylContact C-O 3.57Å; Q357-A376 VanDerWaalsContact CA-O 3.26Å; Q357-A376 WeakPolarHBondContact CA-O 3.44Å; Q357-S377 VanDerWaalsContact OE1-CA 3.24Å |
| 358 | V | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.8 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | W339 N340 G374 P375 A376 V378 V395 Y444 | W339-V358 HydrophobicContact CD2-CG1 4.39Å; W339-V358 HydrophobicContact CG-CG1 4.06Å; N340-V358 CarbonylContact O-C 3.57Å; N340-V358 WeakPolarHBondContact O-CA 3.34Å; V358-G374 WeakPolarHBondContact O-CA 3.29Å; V358-P375 CarbonylContact O-C 3.59Å; V358-P375 VanDerWaalsContact O-CA 3.27Å; V358-P375 WeakPolarHBondContact O-CA 3.42Å; V358-A376 HydrophobicContact CB-CB 4.19Å; V358-A376 PolarHBondContact N-O 3.23Å; V358-A376 PolarHBondContact O-N 3.25Å; V358-V378 HydrophobicContact CG2-CG2 3.71Å; V358-V395 HydrophobicContact CB-CG1 4.05Å; V358-V395 HydrophobicContact CB-CG2 4.47Å; V358-V395 HydrophobicContact CG1-CG1 3.85Å; V358-V395 HydrophobicContact CG1-CG2 4.01Å; V358-V395 HydrophobicContact CG2-CG1 3.91Å; V358-Y444 HydrophobicContact CG2-CE1 3.73Å; V358-Y444 WeakPolarHBondContact CG2-OH 3.17Å |
| 359 | L | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.1 | 162.8 | -68.8 | 113.8 | 0 | 0 | 0 | 109.7 | S222 C226 M285 N340 C342 Q357 C373 P375 | S222-L359 WeakPolarHBondContact O-CD2 3.37Å; C226-L359 HydrophobicContact CB-CD2 4.01Å; M285-L359 HydrophobicContact CE-CB 3.37Å; M285-L359 HydrophobicContact CE-CD1 4.37Å; M285-L359 HydrophobicContact CE-CD2 3.76Å; M285-L359 HydrophobicContact CE-CG 4.02Å; M285-L359 HydrophobicContact SD-CB 4.24Å; N340-L359 PolarHBondContact N-O 3.38Å; N340-L359 PolarHBondContact O-N 3.39Å; C342-L359 HydrophobicContact CB-CD1 3.66Å; C342-L359 VanDerWaalsContact SG-CD1 3.5Å; Q357-L359 PolarHBondContact O-N 3.08Å; L359-C373 WeakPolarHBondContact CA-O 3.42Å; L359-P375 HydrophobicContact CD1-CB 4.18Å; L359-P375 HydrophobicContact CD2-CB 4.41Å; L359-P375 HydrophobicContact CG-CB 4.17Å |
| 360 | D | 98.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 108.4 | -179.4 | -177.2 | 8.8 | 0 | 0 | 0 | 110.5 | C226 H337 W339 T362 C373 | C226-D360 PolarHBondContact SG-O 2.86Å; H337-D360 IonicContact CD2-OD2 3.36Å; H337-D360 IonicContact CE1-OD1 3.88Å; H337-D360 IonicContact CE1-OD2 2.82Å; H337-D360 PolarHBondContact CE1-OD2 2.96Å; H337-D360 IonicContact NE2-OD1 2.92Å; H337-D360 IonicContact NE2-OD2 2.72Å; H337-D360 PolarHBondContact NE2-OD2 3.49Å; W339-D360 HydrophobicContact CB-CB 3.86Å; D360-T362 PolarHBondContact O-N 3.04Å; D360-T362 WeakPolarHBondContact OD1-CB 3.18Å; D360-T362 PolarHBondContact OD1-N 3.35Å; D360-T362 PolarHBondContact OD1-OG1 2.92Å; D360-C373 HydrophobicContact CB-CB 3.98Å; D360-C373 PolarHBondContact N-O 3.16Å; D360-C373 WeakPolarHBondContact O-CB 3.22Å; D360-C373 PolarHBondContact O-N 2.9Å |
| 361 | A | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | trans | -78.5 | -5.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | I229 N230 F281 M285 | I229-A361 HydrophobicContact CB-CB 3.77Å; I229-A361 HydrophobicContact CG1-CB 4.25Å; I229-A361 HydrophobicContact CG2-CB 4.01Å; N230-A361 WeakPolarHBondContact CB-O 3.45Å; N230-A361 PolarHBondContact ND2-O 3.45Å; F281-A361 HydrophobicContact CB-CB 4.1Å; M285-A361 HydrophobicContact SD-CB 3.76Å | ||
| 362 | T | 97.1 | Very high | 94 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -71.4 | 126.9 | 176 | -47 | 0 | 0 | 0 | 0 | 108.8 | W242 C278 F281 W334 H337 D360 Q364 | W242-T362 HydrophobicContact CH2-CG2 3.93Å; W242-T362 HydrophobicContact CZ2-CG2 3.85Å; C278-T362 WeakPolarHBondContact CA-OG1 3.41Å; C278-T362 HydrophobicContact CB-CG2 4.11Å; C278-T362 WeakPolarHBondContact CB-OG1 3.27Å; F281-T362 HydrophobicContact CD2-CG2 4.4Å; W334-T362 HydrophobicContact CH2-CG2 4.41Å; H337-T362 PolarHBondContact CE1-OG1 2.79Å; D360-T362 PolarHBondContact O-N 3.04Å; D360-T362 WeakPolarHBondContact OD1-CB 3.18Å; D360-T362 PolarHBondContact OD1-N 3.35Å; D360-T362 PolarHBondContact OD1-OG1 2.92Å; T362-Q364 VanDerWaalsContact C-N 3.28Å; T362-Q364 HydrophobicContact CG2-CG 4.18Å; T362-Q364 PolarHBondContact O-N 3.15Å |
| 363 | P | 92.8 | Very high | 93.9 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -77.9 | 76.7 | -175.2 | 32.9 | -37.6 | 0 | 0 | 0 | 111.5 | N230 N232 Y371 | N230-P363 HydrophobicContact CB-CB 4.44Å; N230-P363 HydrophobicContact CB-CG 4.31Å; N232-P363 WeakPolarHBondContact ND2-CB 3.33Å; N232-P363 VanDerWaalsContact ND2-CG 3.27Å; N232-P363 WeakPolarHBondContact ND2-CG 3.36Å; P363-Y371 HydrophobicContact CB-CD1 3.67Å; P363-Y371 HydrophobicContact CB-CE1 4.27Å; P363-Y371 HydrophobicContact CB-CG 3.84Å |
| 364 | Q | 86.8 | Confident | 93.9 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -95.7 | -61 | 176.3 | -71.8 | -179.5 | -35.7 | 0 | 0 | 110.8 | W334 H337 T362 F394 | W334-Q364 HydrophobicContact CZ2-CG 4.49Å; H337-Q364 PolarHBondContact NE2-OE1 3.27Å; T362-Q364 VanDerWaalsContact C-N 3.28Å; T362-Q364 HydrophobicContact CG2-CG 4.18Å; T362-Q364 PolarHBondContact O-N 3.15Å; Q364-F394 HydrophobicContact CB-CE1 4.38Å; Q364-F394 HydrophobicContact CB-CZ 3.75Å; Q364-F394 VanDerWaalsContact OE1-CZ 3.29Å |
| 365 | E | 86.1 | Confident | 93.9 | Very high | 75 Ų | 75 | 28.2 Ų | 28.2 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -120.6 | 148.2 | -178.4 | -74.3 | -62 | 150.2 | 0 | 0 | 112 | F394 | E365-F394 HydrophobicContact CB-CD2 4.19Å; E365-F394 HydrophobicContact CB-CE2 4.14Å; E365-F394 HydrophobicContact CB-CG 4.43Å; E365-F394 HydrophobicContact CB-CZ 4.38Å; E365-F394 HydrophobicContact CG-CD2 3.49Å; E365-F394 VanDerWaalsContact CG-CD2 3.49Å; E365-F394 HydrophobicContact CG-CE2 3.3Å; E365-F394 HydrophobicContact CG-CG 4.2Å; E365-F394 HydrophobicContact CG-CZ 3.92Å |
| 366 | M | 88.7 | Confident | 93.9 | Very high | 96 Ų | 96 | 27.6 Ų | 27.6 | 47% | 0.473 | 15% | 0.153 | S | C | . | . | trans | -87.1 | 130.2 | 175.2 | -71.3 | -176.1 | 172.1 | 0 | 0 | 110.8 | V370 Y371 | M366-V370 CarbonylContact C-O 3.58Å; M366-V370 WeakPolarHBondContact CA-O 3.37Å; M366-Y371 HydrophobicContact CE-CD2 3.75Å; M366-Y371 HydrophobicContact CE-CE1 4.49Å; M366-Y371 HydrophobicContact CE-CE2 3.17Å; M366-Y371 HydrophobicContact CG-CD1 4.04Å; M366-Y371 HydrophobicContact CG-CD2 4.19Å; M366-Y371 HydrophobicContact CG-CE1 3.94Å; M366-Y371 HydrophobicContact CG-CE2 4.12Å; M366-Y371 HydrophobicContact CG-CG 4.17Å; M366-Y371 HydrophobicContact SD-CE2 4.5Å | ||
| 367 | S | 88.8 | Confident | 93.9 | Very high | 8 Ų | 8 | 26 Ų | 26 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 117.7 | 168.8 | -172.2 | 0 | 0 | 0 | 0 | 109 | R223 G369 V370 C372 D391 | R223-S367 PolarHBondContact NH2-OG 3.36Å; S367-G369 PolarHBondContact O-N 3.02Å; S367-V370 PolarHBondContact N-O 3.43Å; S367-V370 PolarHBondContact O-N 3.15Å; S367-C372 WeakPolarHBondContact CB-O 3.4Å; S367-D391 WeakPolarHBondContact CB-OD1 3.21Å; S367-D391 VanDerWaalsContact OG-CG 3.28Å; S367-D391 PolarHBondContact OG-OD1 3.45Å; S367-D391 PolarHBondContact OG-OD2 3.03Å |
| 368 | N | 86.1 | Confident | 93.9 | Very high | 146 Ų | 146 | 26.4 Ų | 26.4 | 78% | 0.781 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.3 | -175.6 | -58.7 | -33.7 | 0 | 0 | 0 | 113.7 | ||
| 369 | G | 86.5 | Confident | 93.9 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 56% | 0.557 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | S367 | S367-G369 PolarHBondContact O-N 3.02Š|
| 370 | V | 90.7 | Very high | 93.9 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -127.2 | 142.1 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | A227 D233 M366 S367 C372 | A227-V370 HydrophobicContact CB-CG1 3.92Å; D233-V370 HydrophobicContact CB-CG1 4.3Å; M366-V370 CarbonylContact C-O 3.58Å; M366-V370 WeakPolarHBondContact CA-O 3.37Å; S367-V370 PolarHBondContact N-O 3.43Å; S367-V370 PolarHBondContact O-N 3.15Å; V370-C372 VanDerWaalsContact C-N 3.26Å; V370-C372 HydrophobicContact CG1-CB 4.39Å; V370-C372 PolarHBondContact O-N 3.1Å |
| 371 | Y | 92.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -70.1 | 80.9 | 173 | -76.8 | -74.1 | 0 | 0 | 0 | 111.4 | N230 N232 D233 P363 M366 | N230-Y371 PolarHBondContact ND2-O 3.04Å; N232-Y371 HydrophobicContact CB-CD2 3.41Å; N232-Y371 VanDerWaalsContact CB-CD2 3.41Å; N232-Y371 HydrophobicContact CB-CE2 3.91Å; N232-Y371 HydrophobicContact CB-CG 4.17Å; D233-Y371 WeakPolarHBondContact OD2-CB 3.43Å; D233-Y371 WeakPolarHBondContact OD2-CD2 3.46Å; D233-Y371 PolarHBondContact OD2-N 3.14Å; P363-Y371 HydrophobicContact CB-CD1 3.67Å; P363-Y371 HydrophobicContact CB-CE1 4.27Å; P363-Y371 HydrophobicContact CB-CG 3.84Å; M366-Y371 HydrophobicContact CE-CD2 3.75Å; M366-Y371 HydrophobicContact CE-CE1 4.49Å; M366-Y371 HydrophobicContact CE-CE2 3.17Å; M366-Y371 HydrophobicContact CG-CD1 4.04Å; M366-Y371 HydrophobicContact CG-CD2 4.19Å; M366-Y371 HydrophobicContact CG-CE1 3.94Å; M366-Y371 HydrophobicContact CG-CE2 4.12Å; M366-Y371 HydrophobicContact CG-CG 4.17Å; M366-Y371 HydrophobicContact SD-CE2 4.5Å |
| 372 | C | 92.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | trans | -147.5 | 121 | 179.3 | 167.3 | 0 | 0 | 0 | 0 | 108.7 | R223 A227 S367 V370 | R223-C372 PolarHBondContact O-SG 3.31Å; A227-C372 HydrophobicContact CB-CB 4.05Å; S367-C372 WeakPolarHBondContact CB-O 3.4Å; V370-C372 VanDerWaalsContact C-N 3.26Å; V370-C372 HydrophobicContact CG1-CB 4.39Å; V370-C372 PolarHBondContact O-N 3.1Å | ||
| 373 | C | 96.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.1 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | C226 L359 D360 | C226-C373 PolarHBondContact SG-O 3.23Å; C226-C373 VanDerWaalsContact SG-O 3.35Å; L359-C373 WeakPolarHBondContact CA-O 3.42Å; D360-C373 HydrophobicContact CB-CB 3.98Å; D360-C373 PolarHBondContact N-O 3.16Å; D360-C373 WeakPolarHBondContact O-CB 3.22Å; D360-C373 PolarHBondContact O-N 2.9Å |
| 374 | G | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.6 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R223 V358 D391 | R223-G374 VanDerWaalsContact CG-O 3.3Å; R223-G374 WeakPolarHBondContact CG-O 3.36Å; R223-G374 PolarHBondContact NH1-O 2.98Å; V358-G374 WeakPolarHBondContact O-CA 3.29Å; G374-D391 PolarHBondContact N-OD2 3.41Å |
| 375 | P | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -74.5 | 118.1 | 6.7 | 26.3 | -31.6 | 0 | 0 | 0 | 113.3 | V219 R346 Q357 V358 L359 Y390 | V219-P375 HydrophobicContact CB-CG 4.42Å; V219-P375 HydrophobicContact CG1-CG 3.8Å; V219-P375 HydrophobicContact CG2-CG 4.49Å; R346-P375 PolarHBondContact NH1-O 3.27Å; Q357-P375 HydrophobicContact CB-CB 3.6Å; Q357-P375 HydrophobicContact CG-CB 4.18Å; V358-P375 CarbonylContact O-C 3.59Å; V358-P375 VanDerWaalsContact O-CA 3.27Å; V358-P375 WeakPolarHBondContact O-CA 3.42Å; L359-P375 HydrophobicContact CD1-CB 4.18Å; L359-P375 HydrophobicContact CD2-CB 4.41Å; L359-P375 HydrophobicContact CG-CB 4.17Å; P375-Y390 HydrophobicContact CG-CD2 4.01Å; P375-Y390 HydrophobicContact CG-CE2 4.44Å; P375-Y390 PolarHBondContact O-N 2.98Å; P375-Y390 VanDerWaalsContact O-N 3.16Å |
| 376 | A | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q357 V358 V378 I381 Y390 T392 V395 | Q357-A376 CarbonylContact C-O 3.57Å; Q357-A376 VanDerWaalsContact CA-O 3.26Å; Q357-A376 WeakPolarHBondContact CA-O 3.44Å; V358-A376 HydrophobicContact CB-CB 4.19Å; V358-A376 PolarHBondContact N-O 3.23Å; V358-A376 PolarHBondContact O-N 3.25Å; A376-V378 PolarHBondContact O-N 3.29Å; A376-I381 HydrophobicContact CB-CD1 4.32Å; A376-Y390 WeakPolarHBondContact CA-O 3.45Å; A376-Y390 WeakPolarHBondContact CB-O 3.5Å; A376-T392 HydrophobicContact CB-CG2 4.02Å; A376-V395 HydrophobicContact CB-CB 4.29Å; A376-V395 HydrophobicContact CB-CG2 3.89Å |
| 377 | S | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 123.4 | 179 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | Y353 Q357 R379 A380 I381 | Y353-S377 VanDerWaalsContact O-CB 3.31Å; Y353-S377 WeakPolarHBondContact O-CB 3.37Å; Y353-S377 PolarHBondContact O-OG 3.2Å; Q357-S377 VanDerWaalsContact OE1-CA 3.24Å; S377-R379 PolarHBondContact O-N 3.45Å; S377-A380 WeakPolarHBondContact O-CA 3.37Å; S377-A380 VanDerWaalsContact O-CB 3.32Å; S377-A380 WeakPolarHBondContact O-CB 3.23Å; S377-A380 PolarHBondContact O-N 3.11Å; S377-I381 WeakPolarHBondContact O-CG1 3.45Å; S377-I381 PolarHBondContact O-N 3.07Å; S377-I381 VanDerWaalsContact O-N 3.09Å |
| 378 | V | 98.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.4 | -35.7 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | E341 W356 V358 A376 I381 K382 N443 Y444 | E341-V378 HydrophobicContact CG-CG2 4.01Å; W356-V378 HydrophobicContact CB-CB 4.36Å; W356-V378 HydrophobicContact CB-CG2 3.87Å; W356-V378 WeakPolarHBondContact O-CG2 3.3Å; W356-V378 PolarHBondContact O-N 3.34Å; V358-V378 HydrophobicContact CG2-CG2 3.71Å; A376-V378 PolarHBondContact O-N 3.29Å; V378-I381 WeakPolarHBondContact O-CB 3.24Å; V378-I381 PolarHBondContact O-N 3.05Å; V378-K382 PolarHBondContact O-N 3.31Å; V378-N443 HydrophobicContact CG1-CB 4.13Å; V378-N443 VanDerWaalsContact CG1-O 3.28Å; V378-N443 WeakPolarHBondContact CG1-O 3.39Å; V378-Y444 HydrophobicContact CG1-CD2 4.15Å; V378-Y444 HydrophobicContact CG1-CE1 4.47Å; V378-Y444 HydrophobicContact CG1-CE2 4.04Å; V378-Y444 HydrophobicContact CG1-CG 4.39Å; V378-Y444 HydrophobicContact CG2-CE1 4.38Å; V378-Y444 HydrophobicContact CG2-CE2 4.47Å |
| 379 | R | 98.7 | Very high | 96.4 | Very high | 134 Ų | 134 | 32.2 Ų | 32.2 | 51% | 0.506 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 173 | -173.6 | -176.4 | -176.4 | 164.5 | 2.4 | 112.5 | G352 Y353 S377 I381 K382 E383 | G352-R379 WeakPolarHBondContact O-CD 3.19Å; G352-R379 PolarHBondContact O-NH1 2.99Å; Y353-R379 HydrophobicContact CD1-CB 4.2Å; Y353-R379 HydrophobicContact CD1-CG 4.27Å; Y353-R379 HydrophobicContact CE1-CG 4.24Å; S377-R379 PolarHBondContact O-N 3.45Å; R379-I381 PolarHBondContact O-N 3.42Å; R379-K382 PolarHBondContact O-N 2.85Å; R379-E383 HydrophobicContact CG-CG 4.27Å; R379-E383 WeakPolarHBondContact O-CG 3.34Å; R379-E383 PolarHBondContact O-N 2.84Å |
| 380 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y353 S377 E383 G384 E385 L388 T392 | Y353-A380 HydrophobicContact CD1-CB 3.88Å; Y353-A380 HydrophobicContact CE1-CB 3.98Å; S377-A380 WeakPolarHBondContact O-CA 3.37Å; S377-A380 VanDerWaalsContact O-CB 3.32Å; S377-A380 WeakPolarHBondContact O-CB 3.23Å; S377-A380 PolarHBondContact O-N 3.11Å; A380-E383 PolarHBondContact O-N 3.13Å; A380-G384 PolarHBondContact O-N 3.45Å; A380-G384 VanDerWaalsContact O-N 3.09Å; A380-E385 HydrophobicContact CB-CB 4Å; A380-E385 PolarHBondContact O-N 3.13Å; A380-L388 HydrophobicContact CB-CD1 4.11Å; A380-T392 HydrophobicContact CB-CG2 4.22Å |
| 381 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -50.9 | 173.7 | -53.3 | -51.7 | 0 | 0 | 0 | 110.6 | A376 S377 V378 R379 E383 G384 T392 V395 F396 V399 Y444 | A376-I381 HydrophobicContact CB-CD1 4.32Å; S377-I381 WeakPolarHBondContact O-CG1 3.45Å; S377-I381 PolarHBondContact O-N 3.07Å; S377-I381 VanDerWaalsContact O-N 3.09Å; V378-I381 WeakPolarHBondContact O-CB 3.24Å; V378-I381 PolarHBondContact O-N 3.05Å; R379-I381 PolarHBondContact O-N 3.42Å; I381-E383 VanDerWaalsContact C-N 3.25Å; I381-E383 PolarHBondContact O-N 2.89Å; I381-G384 PolarHBondContact O-N 2.97Å; I381-G384 VanDerWaalsContact O-N 3.13Å; I381-T392 HydrophobicContact CD1-CG2 4.04Å; I381-V395 HydrophobicContact CD1-CB 3.68Å; I381-V395 HydrophobicContact CD1-CG1 3.65Å; I381-V395 HydrophobicContact CG1-CB 4.29Å; I381-V395 HydrophobicContact CG1-CG1 3.68Å; I381-F396 HydrophobicContact CD1-CB 4.47Å; I381-F396 HydrophobicContact CG2-CB 4.49Å; I381-F396 HydrophobicContact CG2-CD2 4.15Å; I381-F396 WeakPolarHBondContact O-CD2 3.33Å; I381-F396 WeakPolarHBondContact O-CE2 3.31Å; I381-V399 HydrophobicContact CG2-CG2 3.76Å; I381-Y444 HydrophobicContact CG2-CD1 4.19Å |
| 382 | K | 98.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 29 Ų | 29 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.7 | -36.2 | 178 | -175.5 | 170.9 | 178.2 | 166.9 | 0 | 114.1 | V378 R379 E442 N443 Y444 Y446 V456 | V378-K382 PolarHBondContact O-N 3.31Å; R379-K382 PolarHBondContact O-N 2.85Å; K382-E442 VanDerWaalsContact CE-O 3.31Å; K382-E442 WeakPolarHBondContact CE-O 3.27Å; K382-E442 PolarHBondContact NZ-O 3.35Å; K382-N443 WeakPolarHBondContact CB-O 3.46Å; K382-Y444 WeakPolarHBondContact CA-O 3.45Å; K382-Y444 PolarHBondContact N-O 3.42Å; K382-Y446 HydrophobicContact CG-CD2 4.43Å; K382-Y446 HydrophobicContact CG-CE2 4.06Å; K382-Y446 WeakPolarHBondContact O-CE2 3.41Å; K382-V456 WeakPolarHBondContact O-CG1 3.28Å |
| 383 | E | 98.4 | Very high | 97.5 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 2.6 | -178.2 | -57.8 | -55 | 157 | 0 | 0 | 113.9 | R379 A380 I381 E385 Y446 K459 | R379-E383 HydrophobicContact CG-CG 4.27Å; R379-E383 WeakPolarHBondContact O-CG 3.34Å; R379-E383 PolarHBondContact O-N 2.84Å; A380-E383 PolarHBondContact O-N 3.13Å; I381-E383 VanDerWaalsContact C-N 3.25Å; I381-E383 PolarHBondContact O-N 2.89Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 HydrophobicContact CB-CG 3.95Å; E383-E385 PolarHBondContact O-N 3.3Å; E383-Y446 VanDerWaalsContact CD-OH 3.29Å; E383-Y446 PolarHBondContact OE1-OH 3.28Å; E383-Y446 PolarHBondContact OE2-OH 3.15Å; E383-K459 WeakPolarHBondContact O-CE 3.43Å; E383-K459 PolarHBondContact O-NZ 3.39Å |
| 384 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 31.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A380 I381 V386 | A380-G384 PolarHBondContact O-N 3.45Å; A380-G384 VanDerWaalsContact O-N 3.09Å; I381-G384 PolarHBondContact O-N 2.97Å; I381-G384 VanDerWaalsContact O-N 3.13Å; G384-V386 VanDerWaalsContact C-N 3.26Å; G384-V386 PolarHBondContact O-N 2.83Å; G384-V386 VanDerWaalsContact O-N 3.14Å |
| 385 | E | 97.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 16% | 0.164 | 15% | 0.154 | C | C | . | . | trans | -87.5 | 62.7 | 179.3 | -57.8 | -71.1 | -178.3 | 0 | 0 | 111 | Y353 A380 E383 D387 L388 T392 K459 K463 | Y353-E385 HydrophobicContact CE1-CG 4.33Å; Y353-E385 WeakPolarHBondContact OH-CG 3.33Å; A380-E385 HydrophobicContact CB-CB 4Å; A380-E385 PolarHBondContact O-N 3.13Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 HydrophobicContact CB-CG 3.95Å; E383-E385 PolarHBondContact O-N 3.3Å; E385-D387 PolarHBondContact O-N 3.41Å; E385-L388 HydrophobicContact CB-CD1 3.84Å; E385-L388 HydrophobicContact CB-CG 4.13Å; E385-L388 PolarHBondContact O-N 2.74Å; E385-T392 PolarHBondContact O-OG1 2.89Å; E385-K459 WeakPolarHBondContact OE1-CE 3.19Å; E385-K459 IonicContact OE1-NZ 3.69Å; E385-K459 PolarHBondContact OE1-NZ 2.95Å; E385-K459 IonicContact OE2-NZ 3.51Å; E385-K463 IonicContact OE2-NZ 2.67Å; E385-K463 PolarHBondContact OE2-NZ 3.23Å | ||
| 386 | V | 96.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 2.7 | -173.1 | -62.2 | 0 | 0 | 0 | 0 | 115 | G384 T392 P393 F396 A460 K463 L464 | G384-V386 VanDerWaalsContact C-N 3.26Å; G384-V386 PolarHBondContact O-N 2.83Å; G384-V386 VanDerWaalsContact O-N 3.14Å; V386-T392 VanDerWaalsContact CA-OG1 3.26Å; V386-T392 WeakPolarHBondContact CA-OG1 2.92Å; V386-T392 PolarHBondContact O-OG1 3.18Å; V386-T392 VanDerWaalsContact O-OG1 3.13Å; V386-P393 HydrophobicContact CB-CG 4.27Å; V386-P393 WeakPolarHBondContact O-CD 3.29Å; V386-P393 WeakPolarHBondContact O-CG 3.2Å; V386-F396 HydrophobicContact CG1-CB 3.71Å; V386-F396 HydrophobicContact CG1-CD1 4.25Å; V386-F396 HydrophobicContact CG1-CD2 4.07Å; V386-F396 HydrophobicContact CG1-CG 3.74Å; V386-A460 HydrophobicContact CG1-CB 3.83Å; V386-A460 HydrophobicContact CG2-CB 4.22Å; V386-K463 HydrophobicContact CG2-CB 3.67Å; V386-K463 HydrophobicContact CG2-CD 4.26Å; V386-L464 HydrophobicContact CB-CD2 4.26Å; V386-L464 HydrophobicContact CG2-CD2 3.91Å; V386-L464 HydrophobicContact CG2-CG 3.98Å |
| 387 | D | 95.6 | Very high | 97.2 | Very high | 102 Ų | 102 | 32 Ų | 32 | 55% | 0.545 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -8 | 175.2 | 55.9 | -37.5 | 0 | 0 | 0 | 112.7 | E385 K463 | E385-D387 PolarHBondContact O-N 3.41Å; D387-K463 VanDerWaalsContact CG-NZ 3.29Å; D387-K463 IonicContact OD1-NZ 2.67Å; D387-K463 PolarHBondContact OD1-NZ 2.98Å; D387-K463 IonicContact OD2-NZ 3.76Å; D387-K463 PolarHBondContact OD2-NZ 2.61Å |
| 388 | L | 96.9 | Very high | 97 | Very high | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -80.8 | 142.1 | 176.8 | -63.8 | -177.7 | 0 | 0 | 0 | 111 | L349 P350 Y353 A380 E385 T392 | L349-L388 HydrophobicContact CD2-CB 4.29Å; L349-L388 HydrophobicContact CD2-CD2 4.49Å; P350-L388 HydrophobicContact CG-CD2 4.5Å; Y353-L388 HydrophobicContact CD1-CD1 4.16Å; Y353-L388 HydrophobicContact CD2-CD1 3.86Å; Y353-L388 HydrophobicContact CE1-CD1 3.98Å; Y353-L388 HydrophobicContact CE2-CD1 3.68Å; Y353-L388 HydrophobicContact CG-CD1 4.12Å; A380-L388 HydrophobicContact CB-CD1 4.11Å; E385-L388 HydrophobicContact CB-CD1 3.84Å; E385-L388 HydrophobicContact CB-CG 4.13Å; E385-L388 PolarHBondContact O-N 2.74Å; L388-T392 HydrophobicContact CB-CG2 4.49Å; L388-T392 WeakPolarHBondContact O-CB 3.42Å; L388-T392 WeakPolarHBondContact O-CG2 3.33Å; L388-T392 PolarHBondContact O-OG1 3.25Å |
| 389 | N | 96.3 | Very high | 96.9 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 50% | 0.503 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 145.6 | 172.2 | -73.9 | -29 | 0 | 0 | 0 | 110.9 | R346 | R346-N389 PolarHBondContact NH2-O 3.23Š|
| 390 | Y | 96.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 25.9 Ų | 25.9 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -112.8 | 147.1 | -3 | -65.9 | -92 | 0 | 0 | 0 | 109.3 | V219 P375 A376 T392 | V219-Y390 HydrophobicContact CG1-CE2 3.87Å; P375-Y390 HydrophobicContact CG-CD2 4.01Å; P375-Y390 HydrophobicContact CG-CE2 4.44Å; P375-Y390 PolarHBondContact O-N 2.98Å; P375-Y390 VanDerWaalsContact O-N 3.16Å; A376-Y390 WeakPolarHBondContact CA-O 3.45Å; A376-Y390 WeakPolarHBondContact CB-O 3.5Å; Y390-T392 PolarHBondContact O-N 3.27Å |
| 391 | D | 96.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 26 Ų | 26 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 22.4 | 165.4 | -43 | -52.2 | 0 | 0 | 0 | 115 | R223 S367 G374 F394 V395 | R223-D391 IonicContact NH1-OD2 3.69Å; R223-D391 PolarHBondContact NH1-OD2 2.73Å; S367-D391 WeakPolarHBondContact CB-OD1 3.21Å; S367-D391 VanDerWaalsContact OG-CG 3.28Å; S367-D391 PolarHBondContact OG-OD1 3.45Å; S367-D391 PolarHBondContact OG-OD2 3.03Å; G374-D391 PolarHBondContact N-OD2 3.41Å; D391-F394 PolarHBondContact O-N 3.49Å; D391-F394 VanDerWaalsContact O-N 3.13Å; D391-V395 PolarHBondContact O-N 3.14Å; D391-V395 VanDerWaalsContact O-N 3.11Å |
| 392 | T | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -32.6 | -178.2 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | A376 A380 I381 E385 V386 L388 Y390 F394 F396 | A376-T392 HydrophobicContact CB-CG2 4.02Å; A380-T392 HydrophobicContact CB-CG2 4.22Å; I381-T392 HydrophobicContact CD1-CG2 4.04Å; E385-T392 PolarHBondContact O-OG1 2.89Å; V386-T392 VanDerWaalsContact CA-OG1 3.26Å; V386-T392 WeakPolarHBondContact CA-OG1 2.92Å; V386-T392 PolarHBondContact O-OG1 3.18Å; V386-T392 VanDerWaalsContact O-OG1 3.13Å; L388-T392 HydrophobicContact CB-CG2 4.49Å; L388-T392 WeakPolarHBondContact O-CB 3.42Å; L388-T392 WeakPolarHBondContact O-CG2 3.33Å; L388-T392 PolarHBondContact O-OG1 3.25Å; Y390-T392 PolarHBondContact O-N 3.27Å; T392-F394 VanDerWaalsContact C-N 3.35Å; T392-F394 PolarHBondContact O-N 2.98Å; T392-F396 WeakPolarHBondContact O-CB 3.41Å; T392-F396 PolarHBondContact O-N 2.79Å |
| 393 | P | 95.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 24 Ų | 24 | 34% | 0.338 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 171.1 | -29.1 | 37.9 | 0 | 0 | 0 | 113.4 | V386 F396 S397 L464 | V386-P393 HydrophobicContact CB-CG 4.27Å; V386-P393 WeakPolarHBondContact O-CD 3.29Å; V386-P393 WeakPolarHBondContact O-CG 3.2Å; P393-F396 PolarHBondContact O-N 3.46Å; P393-S397 PolarHBondContact O-N 2.91Å; P393-S397 VanDerWaalsContact O-N 3.07Å; P393-L464 HydrophobicContact CB-CD2 3.69Å; P393-L464 HydrophobicContact CG-CD2 3.9Å |
| 394 | F | 94.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 22.5 Ų | 22.5 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.4 | -48.6 | -175.8 | 179.5 | -107.1 | 0 | 0 | 0 | 110.5 | H306 Q364 E365 D391 T392 F396 S397 M398 | H306-F394 AromaticContact CD2-CE2 3.6Å; H306-F394 AromaticContact CD2-CZ 3.89Å; H306-F394 AromaticContact NE2-CE2 3.95Å; Q364-F394 HydrophobicContact CB-CE1 4.38Å; Q364-F394 HydrophobicContact CB-CZ 3.75Å; Q364-F394 VanDerWaalsContact OE1-CZ 3.29Å; E365-F394 HydrophobicContact CB-CD2 4.19Å; E365-F394 HydrophobicContact CB-CE2 4.14Å; E365-F394 HydrophobicContact CB-CG 4.43Å; E365-F394 HydrophobicContact CB-CZ 4.38Å; E365-F394 HydrophobicContact CG-CD2 3.49Å; E365-F394 VanDerWaalsContact CG-CD2 3.49Å; E365-F394 HydrophobicContact CG-CE2 3.3Å; E365-F394 HydrophobicContact CG-CG 4.2Å; E365-F394 HydrophobicContact CG-CZ 3.92Å; D391-F394 PolarHBondContact O-N 3.49Å; D391-F394 VanDerWaalsContact O-N 3.13Å; T392-F394 VanDerWaalsContact C-N 3.35Å; T392-F394 PolarHBondContact O-N 2.98Å; F394-F396 PolarHBondContact O-N 3.35Å; F394-S397 PolarHBondContact O-N 3.38Å; F394-S397 VanDerWaalsContact O-N 3.13Å; F394-S397 PolarHBondContact O-OG 3Å; F394-M398 HydrophobicContact CD1-CE 4.26Å; F394-M398 HydrophobicContact CD1-SD 4.45Å; F394-M398 HydrophobicContact CE1-CE 4.13Å; F394-M398 HydrophobicContact CE1-CG 4.27Å; F394-M398 HydrophobicContact CE1-SD 3.86Å; F394-M398 HydrophobicContact CZ-CG 4.44Å; F394-M398 HydrophobicContact CZ-SD 4.31Å; F394-M398 WeakPolarHBondContact O-CG 3.45Å; F394-M398 PolarHBondContact O-N 3.28Å; F394-M398 VanDerWaalsContact O-N 3.15Å |
| 395 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -35.2 | 178 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | V358 A376 I381 D391 M398 | V358-V395 HydrophobicContact CB-CG1 4.05Å; V358-V395 HydrophobicContact CB-CG2 4.47Å; V358-V395 HydrophobicContact CG1-CG1 3.85Å; V358-V395 HydrophobicContact CG1-CG2 4.01Å; V358-V395 HydrophobicContact CG2-CG1 3.91Å; A376-V395 HydrophobicContact CB-CB 4.29Å; A376-V395 HydrophobicContact CB-CG2 3.89Å; I381-V395 HydrophobicContact CD1-CB 3.68Å; I381-V395 HydrophobicContact CD1-CG1 3.65Å; I381-V395 HydrophobicContact CG1-CB 4.29Å; I381-V395 HydrophobicContact CG1-CG1 3.68Å; D391-V395 PolarHBondContact O-N 3.14Å; D391-V395 VanDerWaalsContact O-N 3.11Å; V395-M398 HydrophobicContact CB-CE 4.09Å; V395-M398 HydrophobicContact CG1-CE 4.08Å; V395-M398 HydrophobicContact CG2-CE 3.92Å; V395-M398 PolarHBondContact O-N 3.39Å |
| 396 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.6 | -172 | -86.2 | 0 | 0 | 0 | 112.4 | L312 I381 V386 T392 P393 F394 M398 V399 N400 V456 F457 A460 | L312-F396 HydrophobicContact CD1-CD1 4.21Å; L312-F396 HydrophobicContact CD1-CE1 4.07Å; L312-F396 HydrophobicContact CD2-CD1 3.98Å; I381-F396 HydrophobicContact CD1-CB 4.47Å; I381-F396 HydrophobicContact CG2-CB 4.49Å; I381-F396 HydrophobicContact CG2-CD2 4.15Å; I381-F396 WeakPolarHBondContact O-CD2 3.33Å; I381-F396 WeakPolarHBondContact O-CE2 3.31Å; V386-F396 HydrophobicContact CG1-CB 3.71Å; V386-F396 HydrophobicContact CG1-CD1 4.25Å; V386-F396 HydrophobicContact CG1-CD2 4.07Å; V386-F396 HydrophobicContact CG1-CG 3.74Å; T392-F396 WeakPolarHBondContact O-CB 3.41Å; T392-F396 PolarHBondContact O-N 2.79Å; P393-F396 PolarHBondContact O-N 3.46Å; F394-F396 PolarHBondContact O-N 3.35Å; F396-M398 VanDerWaalsContact C-N 3.29Å; F396-M398 PolarHBondContact O-N 3.19Å; F396-V399 PolarHBondContact O-N 2.8Å; F396-N400 HydrophobicContact CD1-CB 3.99Å; F396-N400 WeakPolarHBondContact CD2-ND2 3.46Å; F396-N400 HydrophobicContact CE1-CB 3.55Å; F396-N400 HydrophobicContact CE2-CB 4.49Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; F396-N400 HydrophobicContact CZ-CB 3.83Å; F396-N400 VanDerWaalsContact CZ-ND2 3.34Å; F396-N400 WeakPolarHBondContact CZ-ND2 3.42Å; F396-N400 WeakPolarHBondContact O-CB 3.22Å; F396-N400 PolarHBondContact O-N 2.9Å; F396-V456 HydrophobicContact CE2-CG1 3.87Å; F396-V456 HydrophobicContact CZ-CG1 4.05Å; F396-F457 HydrophobicContact CE1-CD2 4.35Å; F396-A460 HydrophobicContact CD1-CB 3.98Å; F396-A460 HydrophobicContact CE1-CB 3.53Å; F396-A460 HydrophobicContact CE2-CB 4.14Å; F396-A460 HydrophobicContact CG-CB 4.48Å; F396-A460 HydrophobicContact CZ-CB 3.62Å |
| 397 | S | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.3 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | P393 F394 V399 A401 | P393-S397 PolarHBondContact O-N 2.91Å; P393-S397 VanDerWaalsContact O-N 3.07Å; F394-S397 PolarHBondContact O-N 3.38Å; F394-S397 VanDerWaalsContact O-N 3.13Å; F394-S397 PolarHBondContact O-OG 3Å; S397-V399 PolarHBondContact O-N 3.12Å; S397-V399 VanDerWaalsContact O-N 3.1Å; S397-A401 VanDerWaalsContact O-CB 3.24Å; S397-A401 WeakPolarHBondContact O-CB 3.32Å; S397-A401 PolarHBondContact O-N 2.84Å; S397-A401 VanDerWaalsContact O-N 3.14Å |
| 398 | M | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.7 | -29 | 177.6 | -66.7 | -161.6 | -75.8 | 0 | 0 | 114.2 | N301 G305 H337 W339 F394 V395 F396 V423 | N301-M398 PolarHBondContact ND2-O 2.89Å; G305-M398 PolarHBondContact N-O 3.44Å; G305-M398 VanDerWaalsContact O-CA 3.29Å; G305-M398 WeakPolarHBondContact O-CA 3.22Å; G305-M398 WeakPolarHBondContact O-CG 3.19Å; H337-M398 VanDerWaalsContact CD2-SD 3.58Å; W339-M398 HydrophobicContact CE3-CE 4.01Å; W339-M398 HydrophobicContact CE3-SD 4.2Å; W339-M398 HydrophobicContact CH2-CE 4.47Å; W339-M398 HydrophobicContact CZ3-CB 4.44Å; W339-M398 HydrophobicContact CZ3-CE 3.94Å; W339-M398 HydrophobicContact CZ3-SD 3.92Å; F394-M398 HydrophobicContact CD1-CE 4.26Å; F394-M398 HydrophobicContact CD1-SD 4.45Å; F394-M398 HydrophobicContact CE1-CE 4.13Å; F394-M398 HydrophobicContact CE1-CG 4.27Å; F394-M398 HydrophobicContact CE1-SD 3.86Å; F394-M398 HydrophobicContact CZ-CG 4.44Å; F394-M398 HydrophobicContact CZ-SD 4.31Å; F394-M398 WeakPolarHBondContact O-CG 3.45Å; F394-M398 PolarHBondContact O-N 3.28Å; F394-M398 VanDerWaalsContact O-N 3.15Å; V395-M398 HydrophobicContact CB-CE 4.09Å; V395-M398 HydrophobicContact CG1-CE 4.08Å; V395-M398 HydrophobicContact CG2-CE 3.92Å; V395-M398 PolarHBondContact O-N 3.39Å; F396-M398 VanDerWaalsContact C-N 3.29Å; F396-M398 PolarHBondContact O-N 3.19Å; M398-V423 WeakPolarHBondContact O-CG1 3.42Å |
| 399 | V | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -116.2 | -13.3 | -173.5 | -63.2 | 0 | 0 | 0 | 0 | 114.7 | W339 I381 F396 S397 I427 Y444 K445 | W339-V399 HydrophobicContact CH2-CG1 3.84Å; W339-V399 HydrophobicContact CZ2-CG1 4.4Å; I381-V399 HydrophobicContact CG2-CG2 3.76Å; F396-V399 PolarHBondContact O-N 2.8Å; S397-V399 PolarHBondContact O-N 3.12Å; S397-V399 VanDerWaalsContact O-N 3.1Å; V399-I427 HydrophobicContact CB-CD1 4.34Å; V399-I427 HydrophobicContact CG1-CD1 3.72Å; V399-Y444 HydrophobicContact CG1-CD1 4.1Å; V399-Y444 HydrophobicContact CG2-CD1 4.4Å; V399-K445 PolarHBondContact O-NZ 3.12Å; V399-K445 VanDerWaalsContact O-NZ 3.1Å |
| 400 | N | 96.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 22 Ų | 22 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -129.8 | -0.7 | -173.9 | -68.3 | -63.3 | 0 | 0 | 0 | 115.1 | F396 K445 F457 | F396-N400 HydrophobicContact CD1-CB 3.99Å; F396-N400 WeakPolarHBondContact CD2-ND2 3.46Å; F396-N400 HydrophobicContact CE1-CB 3.55Å; F396-N400 HydrophobicContact CE2-CB 4.49Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; F396-N400 HydrophobicContact CZ-CB 3.83Å; F396-N400 VanDerWaalsContact CZ-ND2 3.34Å; F396-N400 WeakPolarHBondContact CZ-ND2 3.42Å; F396-N400 WeakPolarHBondContact O-CB 3.22Å; F396-N400 PolarHBondContact O-N 2.9Å; N400-K445 WeakPolarHBondContact OD1-CB 3.41Å; N400-F457 HydrophobicContact CB-CD2 4.34Å; N400-F457 WeakPolarHBondContact O-CD2 3.37Å; N400-F457 WeakPolarHBondContact O-CE2 3.36Å |
| 401 | A | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 141.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L312 I314 S397 V423 | L312-A401 WeakPolarHBondContact O-CA 3.24Å; I314-A401 HydrophobicContact CD1-CB 3.75Å; I314-A401 HydrophobicContact CG1-CB 3.96Å; S397-A401 VanDerWaalsContact O-CB 3.24Å; S397-A401 WeakPolarHBondContact O-CB 3.32Å; S397-A401 PolarHBondContact O-N 2.84Å; S397-A401 VanDerWaalsContact O-N 3.14Å; A401-V423 HydrophobicContact CB-CG1 4.33Å; A401-V423 VanDerWaalsContact O-CB 3.24Å; A401-V423 WeakPolarHBondContact O-CB 3.4Å; A401-V423 WeakPolarHBondContact O-CG2 3.33Å |
| 402 | D | 92.8 | Very high | 92 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 139.8 | 171.3 | -76.8 | -13.9 | 0 | 0 | 0 | 109.1 | L312 I313 I314 Q418 T420 R454 | L312-D402 PolarHBondContact O-N 2.94Å; I313-D402 CarbonylContact C-O 3.55Å; I313-D402 VanDerWaalsContact CA-O 3.27Å; I313-D402 WeakPolarHBondContact CA-O 3.44Å; I314-D402 PolarHBondContact N-O 3.35Å; D402-Q418 PolarHBondContact OD2-NE2 3.07Å; D402-T420 VanDerWaalsContact OD1-CA 3.31Å; D402-T420 WeakPolarHBondContact OD1-CA 3.4Å; D402-T420 VanDerWaalsContact OD1-CB 3.27Å; D402-T420 WeakPolarHBondContact OD1-CB 2.87Å; D402-T420 WeakPolarHBondContact OD1-CG2 3.39Å; D402-R454 IonicContact OD1-NH1 3.52Å; D402-R454 IonicContact OD2-NH1 2.81Å; D402-R454 PolarHBondContact OD2-NH1 3.46Å; D402-R454 IonicContact OD2-NH2 2.8Å |
| 403 | C | 90.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.3 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | I314 I333 Q418 D419 | I314-C403 WeakPolarHBondContact O-CA 3.37Å; I333-C403 HydrophobicContact CD1-CB 3.92Å; C403-Q418 WeakPolarHBondContact O-CA 3.16Å; C403-D419 HydrophobicContact CB-CB 4.38Å; C403-D419 PolarHBondContact N-O 3.38Å; C403-D419 PolarHBondContact O-N 2.94Å |
| 404 | M | 90.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.4 | 179.7 | -71.9 | -75 | -65.5 | 0 | 0 | 110.1 | I313 I314 D315 E316 W406 K415 Q418 | I313-M404 HydrophobicContact CG2-CB 4Å; I313-M404 HydrophobicContact CG2-CG 3.38Å; I314-M404 PolarHBondContact O-N 2.88Å; D315-M404 WeakPolarHBondContact CA-O 3.4Å; D315-M404 WeakPolarHBondContact OD1-CB 3.41Å; E316-M404 PolarHBondContact N-O 2.84Å; M404-W406 HydrophobicContact CB-CZ2 4.46Å; M404-W406 HydrophobicContact CE-CH2 4.06Å; M404-W406 HydrophobicContact CE-CZ2 3.56Å; M404-K415 HydrophobicContact CE-CD 3.5Å; M404-K415 HydrophobicContact CE-CG 3.96Å; M404-Q418 HydrophobicContact SD-CB 3.58Å; M404-Q418 VanDerWaalsContact SD-CB 3.58Å; M404-Q418 HydrophobicContact SD-CG 3.58Å; M404-Q418 VanDerWaalsContact SD-CG 3.58Å |
| 405 | S | 90.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.9 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | E316 L416 H417 | E316-S405 CarbonylContact O-C 3.46Å; E316-S405 WeakPolarHBondContact O-CA 3.27Å; S405-L416 WeakPolarHBondContact O-CB 3.31Å; S405-L416 PolarHBondContact O-N 2.83Å; S405-H417 PolarHBondContact N-O 3.01Å; S405-H417 PolarHBondContact O-N 3.32Å |
| 406 | W | 91.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.1 | -177.8 | -57.6 | 92.4 | 0 | 0 | 0 | 111.3 | D315 E316 Y317 Y318 M404 E413 Q414 K415 | D315-W406 PolarHBondContact OD1-NE1 2.59Å; E316-W406 PolarHBondContact O-N 3.36Å; Y317-W406 CarbonylContact C-O 3.5Å; Y317-W406 WeakPolarHBondContact CA-O 3.29Å; Y317-W406 HydrophobicContact CD1-CB 3.61Å; Y317-W406 HydrophobicContact CD1-CG 4.17Å; Y317-W406 HydrophobicContact CE1-CB 3.82Å; Y317-W406 AromaticContact CE1-CD1 3.95Å; Y317-W406 AromaticContact CE1-CG 3.91Å; Y317-W406 HydrophobicContact CE1-CG 3.91Å; Y317-W406 HydrophobicContact CG-CB 4.47Å; Y318-W406 PolarHBondContact N-O 2.77Å; M404-W406 HydrophobicContact CB-CZ2 4.46Å; M404-W406 HydrophobicContact CE-CH2 4.06Å; M404-W406 HydrophobicContact CE-CZ2 3.56Å; W406-E413 HydrophobicContact CE3-CB 4.36Å; W406-Q414 CarbonylContact C-O 3.46Å; W406-Q414 WeakPolarHBondContact CA-O 3.09Å; W406-K415 HydrophobicContact CE3-CB 4.01Å; W406-K415 HydrophobicContact CH2-CB 4.28Å; W406-K415 HydrophobicContact CZ3-CB 3.72Å; W406-K415 HydrophobicContact CZ3-CG 4.49Å |
| 407 | L | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.1 | 167.6 | -179.7 | 64 | 0 | 0 | 0 | 109.6 | Y318 D319 E413 Q414 L416 L599 K608 | Y318-L407 CarbonylContact O-C 3.51Å; Y318-L407 WeakPolarHBondContact O-CA 3.35Å; D319-L407 VanDerWaalsContact C-CD1 3.45Å; D319-L407 WeakPolarHBondContact O-CD1 3.2Å; L407-E413 CarbonylContact O-C 3.59Å; L407-E413 WeakPolarHBondContact O-CA 3.43Å; L407-Q414 HydrophobicContact CB-CB 4.36Å; L407-Q414 PolarHBondContact N-O 3.02Å; L407-Q414 PolarHBondContact O-N 2.59Å; L407-L416 HydrophobicContact CB-CD1 3.9Å; L407-L416 HydrophobicContact CB-CD2 3.83Å; L407-L416 HydrophobicContact CB-CG 3.81Å; L407-L416 HydrophobicContact CD2-CD2 4.47Å; L407-L599 HydrophobicContact CD1-CD2 3.88Å; L407-K608 HydrophobicContact CD2-CG 4.15Å |
| 408 | V | 91.2 | Very high | 89.7 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.4 | 173.1 | -174.3 | 0 | 0 | 0 | 0 | 109 | Y317 Y318 L325 K328 K412 E413 | Y317-V408 HydrophobicContact CD1-CG2 3.79Å; Y317-V408 HydrophobicContact CG-CG2 4.4Å; Y318-V408 PolarHBondContact O-N 3.36Å; L325-V408 HydrophobicContact CD1-CB 3.83Å; L325-V408 HydrophobicContact CD1-CG1 4.42Å; L325-V408 HydrophobicContact CD1-CG2 3.85Å; K328-V408 HydrophobicContact CD-CG2 4.15Å; V408-K412 WeakPolarHBondContact CA-O 3.34Å; V408-E413 HydrophobicContact CG2-CG 4.35Å |
| 409 | Q | 84.9 | Confident | 89.2 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123.9 | 178.9 | -169.8 | 178.1 | 13.1 | 0 | 0 | 110.6 | G411 K412 | Q409-G411 PolarHBondContact O-N 3.42Å; Q409-K412 PolarHBondContact N-O 3.44Å; Q409-K412 PolarHBondContact O-N 3.18Å |
| 410 | G | 82.6 | Confident | 88.8 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 88% | 0.876 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 31.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K412 | G410-K412 VanDerWaalsContact C-N 3.29Å; G410-K412 PolarHBondContact O-N 3Å |
| 411 | G | 80.9 | Confident | 88.3 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -2.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q409 | Q409-G411 PolarHBondContact O-N 3.42Š|
| 412 | K | 86.3 | Confident | 87.9 | Confident | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.726 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 149.6 | 176.7 | -63.7 | -176.7 | 179.7 | -179.9 | 0 | 111.6 | V408 Q409 G410 | V408-K412 WeakPolarHBondContact CA-O 3.34Å; Q409-K412 PolarHBondContact N-O 3.44Å; Q409-K412 PolarHBondContact O-N 3.18Å; G410-K412 VanDerWaalsContact C-N 3.29Å; G410-K412 PolarHBondContact O-N 3Å |
| 413 | E | 90.4 | Very high | 87.9 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.6 | 177.1 | -69.9 | 168.1 | -173.9 | 0 | 0 | 110.1 | Y317 K328 W406 L407 V408 R492 | Y317-E413 HydrophobicContact CE1-CG 4.14Å; K328-E413 IonicContact NZ-OE1 3.8Å; K328-E413 PolarHBondContact NZ-OE1 3.48Å; W406-E413 HydrophobicContact CE3-CB 4.36Å; L407-E413 CarbonylContact O-C 3.59Å; L407-E413 WeakPolarHBondContact O-CA 3.43Å; V408-E413 HydrophobicContact CG2-CG 4.35Å; E413-R492 IonicContact OE2-NH2 3.17Å; E413-R492 PolarHBondContact OE2-NH2 3.2Å |
| 414 | Q | 89.8 | Confident | 88.1 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.5 | 175.9 | 175.8 | -178.2 | 0.4 | 0 | 0 | 109.2 | W406 L407 L416 | W406-Q414 CarbonylContact C-O 3.46Å; W406-Q414 WeakPolarHBondContact CA-O 3.09Å; L407-Q414 HydrophobicContact CB-CB 4.36Å; L407-Q414 PolarHBondContact N-O 3.02Å; L407-Q414 PolarHBondContact O-N 2.59Å; Q414-L416 PolarHBondContact O-N 3.31Å |
| 415 | K | 89.1 | Confident | 88.3 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 127.1 | 174.6 | -175.3 | 177.1 | 176.9 | 171 | 0 | 109.4 | M404 W406 | M404-K415 HydrophobicContact CE-CD 3.5Å; M404-K415 HydrophobicContact CE-CG 3.96Å; W406-K415 HydrophobicContact CE3-CB 4.01Å; W406-K415 HydrophobicContact CH2-CB 4.28Å; W406-K415 HydrophobicContact CZ3-CB 3.72Å; W406-K415 HydrophobicContact CZ3-CG 4.49Å |
| 416 | L | 85.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -52.7 | 175.4 | -69.4 | 177.1 | 0 | 0 | 0 | 111.3 | S405 L407 Q414 L599 K608 L610 | S405-L416 WeakPolarHBondContact O-CB 3.31Å; S405-L416 PolarHBondContact O-N 2.83Å; L407-L416 HydrophobicContact CB-CD1 3.9Å; L407-L416 HydrophobicContact CB-CD2 3.83Å; L407-L416 HydrophobicContact CB-CG 3.81Å; L407-L416 HydrophobicContact CD2-CD2 4.47Å; Q414-L416 PolarHBondContact O-N 3.31Å; L416-L599 HydrophobicContact CD1-CD1 4.26Å; L416-L599 HydrophobicContact CD2-CD1 4.38Å; L416-K608 HydrophobicContact CD2-CB 3.49Å; L416-K608 VanDerWaalsContact CD2-CB 3.49Å; L416-K608 HydrophobicContact CD2-CG 4.22Å; L416-L610 HydrophobicContact CD1-CB 4.3Å; L416-L610 HydrophobicContact CD1-CD2 4.06Å |
| 417 | H | 85.1 | Confident | 88.9 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 154.1 | -170.4 | -173.2 | 59 | 0 | 0 | 0 | 110.7 | S405 | S405-H417 PolarHBondContact N-O 3.01Å; S405-H417 PolarHBondContact O-N 3.32Å |
| 418 | Q | 86.8 | Confident | 89.3 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.2 | 168.4 | 177.2 | 172.9 | 0.5 | 0 | 0 | 107.3 | D402 C403 M404 T420 | D402-Q418 PolarHBondContact OD2-NE2 3.07Å; C403-Q418 WeakPolarHBondContact O-CA 3.16Å; M404-Q418 HydrophobicContact SD-CB 3.58Å; M404-Q418 VanDerWaalsContact SD-CB 3.58Å; M404-Q418 HydrophobicContact SD-CG 3.58Å; M404-Q418 VanDerWaalsContact SD-CG 3.58Å; Q418-T420 HydrophobicContact CG-CG2 4.17Å |
| 419 | D | 85.8 | Confident | 89.6 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.6 | 177.2 | -176.7 | -8.3 | 0 | 0 | 0 | 108.7 | C403 S421 S422 | C403-D419 HydrophobicContact CB-CB 4.38Å; C403-D419 PolarHBondContact N-O 3.38Å; C403-D419 PolarHBondContact O-N 2.94Å; D419-S421 PolarHBondContact OD1-N 3.09Å; D419-S421 PolarHBondContact OD1-OG 3.23Å; D419-S422 PolarHBondContact OD1-N 3.18Å; D419-S422 VanDerWaalsContact OD1-N 3.1Å; D419-S422 WeakPolarHBondContact OD2-CB 3.32Å; D419-S422 PolarHBondContact OD2-OG 3.23Å |
| 420 | T | 88.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -99 | 8.7 | -177.5 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | D402 Q418 | D402-T420 VanDerWaalsContact OD1-CA 3.31Å; D402-T420 WeakPolarHBondContact OD1-CA 3.4Å; D402-T420 VanDerWaalsContact OD1-CB 3.27Å; D402-T420 WeakPolarHBondContact OD1-CB 2.87Å; D402-T420 WeakPolarHBondContact OD1-CG2 3.39Å; Q418-T420 HydrophobicContact CG-CG2 4.17Å |
| 421 | S | 86.1 | Confident | 91 | Very high | 54 Ų | 54 | 48 Ų | 48 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -135.4 | -10.1 | -167.5 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | D419 N425 | D419-S421 PolarHBondContact OD1-N 3.09Å; D419-S421 PolarHBondContact OD1-OG 3.23Å; S421-N425 PolarHBondContact O-ND2 3.22Å |
| 422 | S | 84.9 | Confident | 91.7 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -76.1 | -23.1 | -176.8 | 41.9 | 0 | 0 | 0 | 0 | 115 | D303 D419 N425 | D303-S422 WeakPolarHBondContact CB-O 3.33Å; D419-S422 PolarHBondContact OD1-N 3.18Å; D419-S422 VanDerWaalsContact OD1-N 3.1Å; D419-S422 WeakPolarHBondContact OD2-CB 3.32Å; D419-S422 PolarHBondContact OD2-OG 3.23Å; S422-N425 PolarHBondContact O-ND2 3.1Å |
| 423 | V | 92.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -85.2 | 138.7 | -178.3 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | D303 I314 I333 M398 A401 K445 | D303-V423 VanDerWaalsContact O-CA 3.3Å; D303-V423 WeakPolarHBondContact O-CA 3.04Å; I314-V423 HydrophobicContact CD1-CG2 4.23Å; I333-V423 HydrophobicContact CD1-CG2 4.04Å; I333-V423 HydrophobicContact CG1-CG2 4.48Å; M398-V423 WeakPolarHBondContact O-CG1 3.42Å; A401-V423 HydrophobicContact CB-CG1 4.33Å; A401-V423 VanDerWaalsContact O-CB 3.24Å; A401-V423 WeakPolarHBondContact O-CB 3.4Å; A401-V423 WeakPolarHBondContact O-CG2 3.33Å; V423-K445 PolarHBondContact O-NZ 3.43Å |
| 424 | G | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 78.2 | 65.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N301 D303 K445 | N301-G424 WeakPolarHBondContact OD1-CA 3.15Å; D303-G424 PolarHBondContact O-N 2.96Å; G424-K445 WeakPolarHBondContact O-CE 3.47Å; G424-K445 PolarHBondContact O-NZ 2.65Å |
| 425 | N | 94.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.4 | -173.4 | -82 | -80.7 | 0 | 0 | 0 | 112.7 | K173 N301 F302 S421 S422 I427 | K173-N425 HydrophobicContact CB-CB 4.49Å; K173-N425 HydrophobicContact CD-CB 4.49Å; N301-N425 PolarHBondContact OD1-N 2.75Å; F302-N425 WeakPolarHBondContact CB-O 3.42Å; F302-N425 PolarHBondContact N-O 3.34Å; F302-N425 PolarHBondContact O-N 2.53Å; S421-N425 PolarHBondContact O-ND2 3.22Å; S422-N425 PolarHBondContact O-ND2 3.1Å; N425-I427 PolarHBondContact O-N 2.92Å; N425-I427 VanDerWaalsContact O-N 3.14Å |
| 426 | F | 97 | Very high | 92.5 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 42.6 | 50.2 | 175.4 | -57.1 | -77.2 | 0 | 0 | 0 | 112.9 | K173 I176 F302 S428 D439 T441 | K173-F426 HydrophobicContact CB-CD2 3.62Å; K173-F426 HydrophobicContact CB-CE2 3.8Å; K173-F426 HydrophobicContact CD-CE2 4.49Å; K173-F426 WeakPolarHBondContact O-CE2 3.43Å; I176-F426 HydrophobicContact CD1-CB 3.62Å; I176-F426 HydrophobicContact CD1-CD2 4.44Å; I176-F426 HydrophobicContact CD1-CG 3.96Å; F302-F426 HydrophobicContact CD2-CB 4.03Å; F302-F426 WeakPolarHBondContact CD2-O 2.98Å; F426-S428 WeakPolarHBondContact O-CB 3.21Å; F426-S428 PolarHBondContact O-N 3.17Å; F426-S428 PolarHBondContact O-OG 3.48Å; F426-D439 WeakPolarHBondContact CA-OD2 3.28Å; F426-D439 WeakPolarHBondContact CD1-OD2 3.43Å; F426-T441 WeakPolarHBondContact CA-OG1 3.08Å; F426-T441 PolarHBondContact N-OG1 3.18Å |
| 427 | I | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 114.6 | -179.2 | -56 | 177.2 | 0 | 0 | 0 | 107.3 | I299 T300 N301 V399 N425 I440 T441 Y444 | I299-I427 HydrophobicContact CG2-CG2 3.35Å; T300-I427 CarbonylContact O-C 3.59Å; T300-I427 VanDerWaalsContact O-CA 3.28Å; T300-I427 WeakPolarHBondContact O-CA 3.38Å; N301-I427 HydrophobicContact CB-CG1 4.41Å; N301-I427 WeakPolarHBondContact OD1-CG1 3.4Å; V399-I427 HydrophobicContact CB-CD1 4.34Å; V399-I427 HydrophobicContact CG1-CD1 3.72Å; N425-I427 PolarHBondContact O-N 2.92Å; N425-I427 VanDerWaalsContact O-N 3.14Å; I427-I440 HydrophobicContact CB-CG1 4.31Å; I427-I440 HydrophobicContact CG2-CD1 4.23Å; I427-I440 HydrophobicContact CG2-CG1 3.87Å; I427-I440 VanDerWaalsContact O-CG1 3.29Å; I427-I440 WeakPolarHBondContact O-CG1 3.46Å; I427-I440 PolarHBondContact O-N 2.98Å; I427-T441 HydrophobicContact CD1-CG2 4.4Å; I427-T441 HydrophobicContact CG1-CG2 4.37Å; I427-T441 PolarHBondContact N-OG1 2.98Å; I427-Y444 HydrophobicContact CD1-CD1 4.26Å; I427-Y444 HydrophobicContact CD1-CD2 3.81Å; I427-Y444 HydrophobicContact CD1-CG 3.63Å; I427-Y444 HydrophobicContact CG2-CD2 3.98Å; I427-Y444 HydrophobicContact CG2-CE2 3.87Å |
| 428 | S | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.6 | -160.5 | -67 | 0 | 0 | 0 | 0 | 112.2 | I299 T300 F426 R437 A438 | I299-S428 WeakPolarHBondContact CA-O 3.48Å; T300-S428 PolarHBondContact N-O 3.37Å; T300-S428 PolarHBondContact O-N 3.45Å; F426-S428 WeakPolarHBondContact O-CB 3.21Å; F426-S428 PolarHBondContact O-N 3.17Å; F426-S428 PolarHBondContact O-OG 3.48Å; S428-R437 WeakPolarHBondContact OG-CD 3.43Å; S428-R437 PolarHBondContact OG-NH1 2.82Å; S428-A438 WeakPolarHBondContact CA-O 3.32Å |
| 429 | T | 98.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 163.5 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | Y169 V298 I299 A438 I440 | Y169-T429 WeakPolarHBondContact CE2-O 3.46Å; V298-T429 PolarHBondContact O-OG1 2.74Å; I299-T429 HydrophobicContact CD1-CG2 4.31Å; T429-A438 HydrophobicContact CG2-CB 4.07Å; T429-A438 PolarHBondContact N-O 2.88Å; T429-A438 PolarHBondContact O-N 2.88Å; T429-I440 HydrophobicContact CG2-CD1 4.21Å; T429-I440 HydrophobicContact CG2-CG1 4.47Å; T429-I440 HydrophobicContact CG2-CG2 3.93Å |
| 430 | K | 98.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 138.8 | 170.8 | -178 | -178.4 | 170 | -62.4 | 0 | 109.4 | E159 F167 S434 | E159-K430 WeakPolarHBondContact OE1-CD 3.5Å; E159-K430 IonicContact OE1-NZ 3.74Å; E159-K430 PolarHBondContact OE1-NZ 3.4Å; E159-K430 IonicContact OE2-NZ 3.97Å; E159-K430 PolarHBondContact OE2-NZ 3.03Å; F167-K430 HydrophobicContact CD2-CD 3.79Å; F167-K430 HydrophobicContact CD2-CG 4.1Å; F167-K430 HydrophobicContact CE2-CD 4.41Å; K430-S434 WeakPolarHBondContact CE-O 3.31Å; K430-S434 PolarHBondContact NZ-O 2.73Å |
| 431 | S | 97.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 151.5 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | Q433 S434 E436 A438 | S431-Q433 PolarHBondContact O-N 3.42Å; S431-S434 PolarHBondContact O-N 2.65Å; S431-E436 WeakPolarHBondContact CB-O 3.39Å; S431-E436 PolarHBondContact N-O 2.79Å; S431-E436 PolarHBondContact OG-O 3.23Å; S431-A438 WeakPolarHBondContact OG-CB 3.48Å; S431-A438 PolarHBondContact OG-N 3.34Å |
| 432 | I | 96.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 30% | 0.297 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 128.9 | 175 | -61.4 | 152.9 | 0 | 0 | 0 | 109 | P155 Q156 E159 Y160 S434 | P155-I432 HydrophobicContact CB-CG2 3.75Å; P155-I432 WeakPolarHBondContact O-CG2 3.35Å; Q156-I432 HydrophobicContact CG-CD1 3.53Å; Q156-I432 HydrophobicContact CG-CG1 4.23Å; E159-I432 HydrophobicContact CB-CB 4.49Å; E159-I432 HydrophobicContact CB-CG1 4.42Å; E159-I432 HydrophobicContact CB-CG2 4.21Å; E159-I432 HydrophobicContact CG-CG1 4.45Å; Y160-I432 HydrophobicContact CE2-CD1 4.49Å; Y160-I432 HydrophobicContact CE2-CG1 4.27Å; Y160-I432 WeakPolarHBondContact OH-CG1 3.37Å; I432-S434 PolarHBondContact O-N 2.81Å |
| 433 | Q | 88.2 | Confident | 96.6 | Very high | 140 Ų | 140 | 46.7 Ų | 46.7 | 65% | 0.654 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 18.4 | 175.7 | -63.9 | 177.2 | -30.7 | 0 | 0 | 115.1 | S431 | S431-Q433 PolarHBondContact O-N 3.42Š|
| 434 | S | 93.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -142.5 | 156.2 | 179.5 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | K430 S431 I432 E436 | K430-S434 WeakPolarHBondContact CE-O 3.31Å; K430-S434 PolarHBondContact NZ-O 2.73Å; S431-S434 PolarHBondContact O-N 2.65Å; I432-S434 PolarHBondContact O-N 2.81Å; S434-E436 VanDerWaalsContact C-N 3.27Å; S434-E436 WeakPolarHBondContact OG-CB 3.25Å; S434-E436 WeakPolarHBondContact OG-CG 3.28Å; S434-E436 PolarHBondContact OG-N 3.44Å; S434-E436 VanDerWaalsContact OG-N 3.12Å |
| 435 | D | 93.9 | Very high | 97 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -87 | -1.2 | 173.7 | -70.2 | -3.8 | 0 | 0 | 0 | 112.2 | F167 N713 | F167-D435 HydrophobicContact CD2-CB 4.42Å; F167-D435 HydrophobicContact CE2-CB 3.52Å; F167-D435 VanDerWaalsContact CE2-CG 3.43Å; F167-D435 WeakPolarHBondContact CE2-OD1 3.46Å; F167-D435 HydrophobicContact CZ-CB 4.06Å; D435-N713 PolarHBondContact OD2-ND2 2.8Å |
| 436 | E | 96.7 | Very high | 97.1 | Very high | 136 Ų | 136 | 48.8 Ų | 48.8 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -73.8 | 155 | 178.8 | -67.1 | -62.5 | 157.8 | 0 | 0 | 113.1 | Y169 S431 S434 | Y169-E436 PolarHBondContact OH-O 2.78Å; S431-E436 WeakPolarHBondContact CB-O 3.39Å; S431-E436 PolarHBondContact N-O 2.79Å; S431-E436 PolarHBondContact OG-O 3.23Å; S434-E436 VanDerWaalsContact C-N 3.27Å; S434-E436 WeakPolarHBondContact OG-CB 3.25Å; S434-E436 WeakPolarHBondContact OG-CG 3.28Å; S434-E436 PolarHBondContact OG-N 3.44Å; S434-E436 VanDerWaalsContact OG-N 3.12Å |
| 437 | R | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.8 | 174.1 | -169.9 | -174.2 | 73.8 | 85.2 | 2.7 | 111.2 | Y169 S428 D439 | Y169-R437 HydrophobicContact CD1-CB 4.31Å; Y169-R437 HydrophobicContact CD1-CG 3.92Å; Y169-R437 HydrophobicContact CD2-CG 4.37Å; Y169-R437 HydrophobicContact CE1-CB 3.53Å; Y169-R437 HydrophobicContact CE1-CG 3.59Å; Y169-R437 HydrophobicContact CE2-CB 4.49Å; Y169-R437 HydrophobicContact CE2-CG 4.12Å; Y169-R437 HydrophobicContact CG-CG 4.29Å; Y169-R437 WeakPolarHBondContact OH-CA 3.46Å; Y169-R437 PolarHBondContact OH-N 2.85Å; S428-R437 WeakPolarHBondContact OG-CD 3.43Å; S428-R437 PolarHBondContact OG-NH1 2.82Å; R437-D439 IonicContact CZ-OD2 3.71Å; R437-D439 IonicContact NH1-OD2 3.67Å; R437-D439 PolarHBondContact NH1-OD2 3.09Å; R437-D439 IonicContact NH2-OD2 3.39Å; R437-D439 PolarHBondContact NH2-OD2 3.49Å |
| 438 | A | 98.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 22% | 0.223 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S428 T429 S431 | S428-A438 WeakPolarHBondContact CA-O 3.32Å; T429-A438 HydrophobicContact CG2-CB 4.07Å; T429-A438 PolarHBondContact N-O 2.88Å; T429-A438 PolarHBondContact O-N 2.88Å; S431-A438 WeakPolarHBondContact OG-CB 3.48Å; S431-A438 PolarHBondContact OG-N 3.34Å |
| 439 | D | 98.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125 | 168.3 | -156.1 | -56.5 | 0 | 0 | 0 | 109.3 | F426 R437 T441 | F426-D439 WeakPolarHBondContact CA-OD2 3.28Å; F426-D439 WeakPolarHBondContact CD1-OD2 3.43Å; R437-D439 IonicContact CZ-OD2 3.71Å; R437-D439 IonicContact NH1-OD2 3.67Å; R437-D439 PolarHBondContact NH1-OD2 3.09Å; R437-D439 IonicContact NH2-OD2 3.39Å; R437-D439 PolarHBondContact NH2-OD2 3.49Å; D439-T441 VanDerWaalsContact OD1-CB 3.28Å; D439-T441 WeakPolarHBondContact OD1-CB 3.07Å; D439-T441 PolarHBondContact OD1-N 3.45Å; D439-T441 PolarHBondContact OD1-OG1 3.2Å |
| 440 | I | 98.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | trans | -122.5 | 20.1 | -179.3 | 63 | 163.4 | 0 | 0 | 0 | 111.7 | I299 I427 T429 E442 N443 Y444 | I299-I440 HydrophobicContact CD1-CD1 3.54Å; I299-I440 HydrophobicContact CG1-CD1 4.38Å; I299-I440 HydrophobicContact CG2-CD1 4.36Å; I427-I440 HydrophobicContact CB-CG1 4.31Å; I427-I440 HydrophobicContact CG2-CD1 4.23Å; I427-I440 HydrophobicContact CG2-CG1 3.87Å; I427-I440 VanDerWaalsContact O-CG1 3.29Å; I427-I440 WeakPolarHBondContact O-CG1 3.46Å; I427-I440 PolarHBondContact O-N 2.98Å; T429-I440 HydrophobicContact CG2-CD1 4.21Å; T429-I440 HydrophobicContact CG2-CG1 4.47Å; T429-I440 HydrophobicContact CG2-CG2 3.93Å; I440-E442 PolarHBondContact O-N 2.62Å; I440-N443 VanDerWaalsContact O-CB 3.28Å; I440-N443 WeakPolarHBondContact O-CB 3.42Å; I440-N443 PolarHBondContact O-N 2.88Å; I440-Y444 HydrophobicContact CD1-CE2 3.96Å | ||
| 441 | T | 98.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.7 | -40.1 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | F426 I427 D439 N443 Y444 K445 | F426-T441 WeakPolarHBondContact CA-OG1 3.08Å; F426-T441 PolarHBondContact N-OG1 3.18Å; I427-T441 HydrophobicContact CD1-CG2 4.4Å; I427-T441 HydrophobicContact CG1-CG2 4.37Å; I427-T441 PolarHBondContact N-OG1 2.98Å; D439-T441 VanDerWaalsContact OD1-CB 3.28Å; D439-T441 WeakPolarHBondContact OD1-CB 3.07Å; D439-T441 PolarHBondContact OD1-N 3.45Å; D439-T441 PolarHBondContact OD1-OG1 3.2Å; T441-N443 PolarHBondContact O-N 2.93Å; T441-N443 VanDerWaalsContact O-N 3.1Å; T441-Y444 PolarHBondContact O-N 3.27Å; T441-K445 HydrophobicContact CG2-CG 4.26Å; T441-K445 PolarHBondContact O-N 3.46Å |
| 442 | E | 98.2 | Very high | 95.7 | Very high | 141 Ų | 141 | 69.6 Ų | 69.6 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.9 | -16.3 | 177.6 | 64.2 | 174.7 | -162.3 | 0 | 0 | 114.3 | K382 I440 K445 | K382-E442 VanDerWaalsContact CE-O 3.31Å; K382-E442 WeakPolarHBondContact CE-O 3.27Å; K382-E442 PolarHBondContact NZ-O 3.35Å; I440-E442 PolarHBondContact O-N 2.62Å; E442-K445 WeakPolarHBondContact CA-O 3.28Å |
| 443 | N | 98.6 | Very high | 95.7 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 32% | 0.316 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.9 | -23.5 | 174.5 | -66.6 | -25.2 | 0 | 0 | 0 | 112.3 | V378 K382 I440 T441 | V378-N443 HydrophobicContact CG1-CB 4.13Å; V378-N443 VanDerWaalsContact CG1-O 3.28Å; V378-N443 WeakPolarHBondContact CG1-O 3.39Å; K382-N443 WeakPolarHBondContact CB-O 3.46Å; I440-N443 VanDerWaalsContact O-CB 3.28Å; I440-N443 WeakPolarHBondContact O-CB 3.42Å; I440-N443 PolarHBondContact O-N 2.88Å; T441-N443 PolarHBondContact O-N 2.93Å; T441-N443 VanDerWaalsContact O-N 3.1Å |
| 444 | Y | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -99.6 | -29.3 | -176.9 | -80 | -99.6 | 0 | 0 | 0 | 113.6 | W339 E341 V358 V378 I381 K382 V399 I427 I440 T441 | W339-Y444 HydrophobicContact CZ2-CD1 4.43Å; W339-Y444 AromaticContact CZ2-CE1 3.65Å; W339-Y444 HydrophobicContact CZ2-CE1 3.65Å; W339-Y444 AromaticContact CZ2-CZ 3.85Å; W339-Y444 AromaticContact NE1-CZ 3.89Å; W339-Y444 PolarHBondContact NE1-OH 3.47Å; E341-Y444 WeakPolarHBondContact CG-OH 3.49Å; E341-Y444 WeakPolarHBondContact OE1-CE2 3.48Å; E341-Y444 PolarHBondContact OE1-OH 2.82Å; V358-Y444 HydrophobicContact CG2-CE1 3.73Å; V358-Y444 WeakPolarHBondContact CG2-OH 3.17Å; V378-Y444 HydrophobicContact CG1-CD2 4.15Å; V378-Y444 HydrophobicContact CG1-CE1 4.47Å; V378-Y444 HydrophobicContact CG1-CE2 4.04Å; V378-Y444 HydrophobicContact CG1-CG 4.39Å; V378-Y444 HydrophobicContact CG2-CE1 4.38Å; V378-Y444 HydrophobicContact CG2-CE2 4.47Å; I381-Y444 HydrophobicContact CG2-CD1 4.19Å; K382-Y444 WeakPolarHBondContact CA-O 3.45Å; K382-Y444 PolarHBondContact N-O 3.42Å; V399-Y444 HydrophobicContact CG1-CD1 4.1Å; V399-Y444 HydrophobicContact CG2-CD1 4.4Å; I427-Y444 HydrophobicContact CD1-CD1 4.26Å; I427-Y444 HydrophobicContact CD1-CD2 3.81Å; I427-Y444 HydrophobicContact CD1-CG 3.63Å; I427-Y444 HydrophobicContact CG2-CD2 3.98Å; I427-Y444 HydrophobicContact CG2-CE2 3.87Å; I440-Y444 HydrophobicContact CD1-CE2 3.96Å; T441-Y444 PolarHBondContact O-N 3.27Å |
| 445 | K | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -152.4 | 160.9 | -179 | 59.9 | 179.1 | 178.3 | -179.1 | 0 | 112.1 | V399 N400 V423 G424 T441 E442 E448 | V399-K445 PolarHBondContact O-NZ 3.12Å; V399-K445 VanDerWaalsContact O-NZ 3.1Å; N400-K445 WeakPolarHBondContact OD1-CB 3.41Å; V423-K445 PolarHBondContact O-NZ 3.43Å; G424-K445 WeakPolarHBondContact O-CE 3.47Å; G424-K445 PolarHBondContact O-NZ 2.65Å; T441-K445 HydrophobicContact CG2-CG 4.26Å; T441-K445 PolarHBondContact O-N 3.46Å; E442-K445 WeakPolarHBondContact CA-O 3.28Å; K445-E448 VanDerWaalsContact CE-OE1 3.29Å; K445-E448 WeakPolarHBondContact CE-OE1 3.35Å; K445-E448 IonicContact NZ-OE1 3.55Å; K445-E448 PolarHBondContact NZ-OE1 3.26Å |
| 446 | Y | 97.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 67.4 Ų | 67.4 | 26% | 0.263 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 165 | 171.3 | -68.2 | -82.7 | 0 | 0 | 0 | 110.5 | K382 E383 E448 Q452 V456 | K382-Y446 HydrophobicContact CG-CD2 4.43Å; K382-Y446 HydrophobicContact CG-CE2 4.06Å; K382-Y446 WeakPolarHBondContact O-CE2 3.41Å; E383-Y446 VanDerWaalsContact CD-OH 3.29Å; E383-Y446 PolarHBondContact OE1-OH 3.28Å; E383-Y446 PolarHBondContact OE2-OH 3.15Å; Y446-E448 PolarHBondContact O-N 2.97Å; Y446-Q452 HydrophobicContact CD1-CB 3.92Å; Y446-Q452 HydrophobicContact CD2-CB 4.26Å; Y446-Q452 HydrophobicContact CE1-CB 4.37Å; Y446-Q452 HydrophobicContact CG-CB 3.84Å; Y446-V456 HydrophobicContact CD2-CG2 3.77Å; Y446-V456 HydrophobicContact CE2-CG2 3.6Å |
| 447 | E | 94.8 | Very high | 96.4 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 130.7 | 179.8 | -173.3 | 178.8 | -175.5 | 0 | 0 | 111.1 | G449 S450 E453 | E447-G449 PolarHBondContact O-N 3.2Å; E447-S450 WeakPolarHBondContact O-CB 3.15Å; E447-S450 PolarHBondContact O-N 2.68Å; E447-S450 PolarHBondContact O-OG 2.96Å; E447-E453 WeakPolarHBondContact O-CB 3.14Å |
| 448 | E | 90.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 131.7 | 178.8 | -71 | -65.6 | 168.3 | 0 | 0 | 111.6 | K445 Y446 S450 | K445-E448 VanDerWaalsContact CE-OE1 3.29Å; K445-E448 WeakPolarHBondContact CE-OE1 3.35Å; K445-E448 IonicContact NZ-OE1 3.55Å; K445-E448 PolarHBondContact NZ-OE1 3.26Å; Y446-E448 PolarHBondContact O-N 2.97Å; E448-S450 VanDerWaalsContact C-N 3.27Å; E448-S450 PolarHBondContact O-N 2.81Å |
| 449 | G | 88.1 | Confident | 96.2 | Very high | 73 Ų | 73 | 63.4 Ų | 63.4 | 75% | 0.753 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -2.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E447 | E447-G449 PolarHBondContact O-N 3.2Š|
| 450 | S | 94 | Very high | 96.1 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.9 | 156.6 | 169.4 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | E447 E448 Q452 E453 | E447-S450 WeakPolarHBondContact O-CB 3.15Å; E447-S450 PolarHBondContact O-N 2.68Å; E447-S450 PolarHBondContact O-OG 2.96Å; E448-S450 VanDerWaalsContact C-N 3.27Å; E448-S450 PolarHBondContact O-N 2.81Å; S450-Q452 PolarHBondContact O-N 2.87Å; S450-E453 WeakPolarHBondContact OG-CB 3.27Å; S450-E453 PolarHBondContact OG-N 3.46Å |
| 451 | L | 94.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 71% | 0.712 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 175.2 | -70.4 | 174.3 | 0 | 0 | 0 | 111.8 | Q455 | L451-Q455 WeakPolarHBondContact O-CB 3.36Å; L451-Q455 WeakPolarHBondContact O-CG 3.11Å; L451-Q455 PolarHBondContact O-N 3.26Å |
| 452 | Q | 96.5 | Very high | 95.7 | Very high | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | -178.6 | -67.4 | 84.3 | -17.5 | 0 | 0 | 111.5 | Y446 S450 R454 Q455 V456 | Y446-Q452 HydrophobicContact CD1-CB 3.92Å; Y446-Q452 HydrophobicContact CD2-CB 4.26Å; Y446-Q452 HydrophobicContact CE1-CB 4.37Å; Y446-Q452 HydrophobicContact CG-CB 3.84Å; S450-Q452 PolarHBondContact O-N 2.87Å; Q452-R454 VanDerWaalsContact C-N 3.35Å; Q452-R454 PolarHBondContact O-N 2.95Å; Q452-Q455 PolarHBondContact O-N 3.44Å; Q452-V456 WeakPolarHBondContact O-CG2 3.44Å; Q452-V456 PolarHBondContact O-N 3.33Å |
| 453 | E | 96.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.3 | -55.2 | 174.8 | 168 | -80 | 131.7 | 0 | 0 | 110.2 | E447 S450 Q455 V456 F457 | E447-E453 WeakPolarHBondContact O-CB 3.14Å; S450-E453 WeakPolarHBondContact OG-CB 3.27Å; S450-E453 PolarHBondContact OG-N 3.46Å; E453-Q455 VanDerWaalsContact C-N 3.34Å; E453-Q455 PolarHBondContact O-N 3Å; E453-V456 PolarHBondContact O-N 3.29Å; E453-F457 PolarHBondContact O-N 3.45Å |
| 454 | R | 95.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | -176.4 | -165.6 | 65.4 | -166.1 | 172.9 | -0.9 | 113.3 | D402 Q452 F457 L458 | D402-R454 IonicContact OD1-NH1 3.52Å; D402-R454 IonicContact OD2-NH1 2.81Å; D402-R454 PolarHBondContact OD2-NH1 3.46Å; D402-R454 IonicContact OD2-NH2 2.8Å; Q452-R454 VanDerWaalsContact C-N 3.35Å; Q452-R454 PolarHBondContact O-N 2.95Å; R454-F457 VanDerWaalsContact CZ-CD1 3.43Å; R454-F457 VanDerWaalsContact NH1-CD1 3.27Å; R454-F457 PolarHBondContact O-N 3.1Å; R454-L458 HydrophobicContact CG-CD1 4.24Å; R454-L458 HydrophobicContact CG-CG 4.45Å; R454-L458 WeakPolarHBondContact O-CB 3.34Å; R454-L458 VanDerWaalsContact O-CG 3.27Å; R454-L458 WeakPolarHBondContact O-CG 3.19Å; R454-L458 PolarHBondContact O-N 2.91Å |
| 455 | Q | 97.4 | Very high | 94.7 | Very high | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 174.6 | -77.9 | 171.5 | -0 | 0 | 0 | 111.7 | L451 Q452 E453 L458 K459 | L451-Q455 WeakPolarHBondContact O-CB 3.36Å; L451-Q455 WeakPolarHBondContact O-CG 3.11Å; L451-Q455 PolarHBondContact O-N 3.26Å; Q452-Q455 PolarHBondContact O-N 3.44Å; E453-Q455 VanDerWaalsContact C-N 3.34Å; E453-Q455 PolarHBondContact O-N 3Å; Q455-L458 PolarHBondContact O-N 2.97Å; Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 PolarHBondContact O-N 3.3Å |
| 456 | V | 97.7 | Very high | 94.1 | Very high | 17 Ų | 17 | 68.2 Ų | 68.2 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.7 | 168 | 0 | 0 | 0 | 0 | 111.2 | K382 F396 Y446 Q452 E453 L458 K459 A460 | K382-V456 WeakPolarHBondContact O-CG1 3.28Å; F396-V456 HydrophobicContact CE2-CG1 3.87Å; F396-V456 HydrophobicContact CZ-CG1 4.05Å; Y446-V456 HydrophobicContact CD2-CG2 3.77Å; Y446-V456 HydrophobicContact CE2-CG2 3.6Å; Q452-V456 WeakPolarHBondContact O-CG2 3.44Å; Q452-V456 PolarHBondContact O-N 3.33Å; E453-V456 PolarHBondContact O-N 3.29Å; V456-L458 PolarHBondContact O-N 3.12Å; V456-K459 WeakPolarHBondContact O-CB 3.22Å; V456-K459 PolarHBondContact O-N 3.27Å; V456-A460 PolarHBondContact O-N 3.11Å |
| 457 | F | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.022 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 176.1 | -178.4 | -86.7 | 0 | 0 | 0 | 111.9 | L312 F396 N400 E453 R454 K459 A460 L461 | L312-F457 HydrophobicContact CB-CE2 3.96Å; L312-F457 HydrophobicContact CB-CZ 3.89Å; L312-F457 HydrophobicContact CD1-CE2 4.17Å; L312-F457 HydrophobicContact CD1-CZ 4.33Å; F396-F457 HydrophobicContact CE1-CD2 4.35Å; N400-F457 HydrophobicContact CB-CD2 4.34Å; N400-F457 WeakPolarHBondContact O-CD2 3.37Å; N400-F457 WeakPolarHBondContact O-CE2 3.36Å; E453-F457 PolarHBondContact O-N 3.45Å; R454-F457 VanDerWaalsContact CZ-CD1 3.43Å; R454-F457 VanDerWaalsContact NH1-CD1 3.27Å; R454-F457 PolarHBondContact O-N 3.1Å; F457-K459 VanDerWaalsContact C-N 3.34Å; F457-K459 PolarHBondContact O-N 3.46Å; F457-A460 PolarHBondContact O-N 3.4Å; F457-L461 HydrophobicContact CE1-CD2 4.38Å; F457-L461 WeakPolarHBondContact O-CB 3.48Å; F457-L461 PolarHBondContact O-N 2.97Å |
| 458 | L | 95.8 | Very high | 91.7 | Very high | 89 Ų | 89 | 64.9 Ų | 64.9 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.6 | -70.3 | 173.9 | 0 | 0 | 0 | 112.4 | R454 Q455 V456 L461 Q462 | R454-L458 HydrophobicContact CG-CD1 4.24Å; R454-L458 HydrophobicContact CG-CG 4.45Å; R454-L458 WeakPolarHBondContact O-CB 3.34Å; R454-L458 VanDerWaalsContact O-CG 3.27Å; R454-L458 WeakPolarHBondContact O-CG 3.19Å; R454-L458 PolarHBondContact O-N 2.91Å; Q455-L458 PolarHBondContact O-N 2.97Å; V456-L458 PolarHBondContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 3.35Å; L458-Q462 WeakPolarHBondContact O-CB 3.46Å; L458-Q462 PolarHBondContact O-N 3.45Å |
| 459 | K | 97.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 69 Ų | 69 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 173 | 173.8 | -171.4 | 173.1 | -170.8 | 0 | 110.9 | E383 E385 Q455 V456 F457 L461 Q462 K463 | E383-K459 WeakPolarHBondContact O-CE 3.43Å; E383-K459 PolarHBondContact O-NZ 3.39Å; E385-K459 WeakPolarHBondContact OE1-CE 3.19Å; E385-K459 IonicContact OE1-NZ 3.69Å; E385-K459 PolarHBondContact OE1-NZ 2.95Å; E385-K459 IonicContact OE2-NZ 3.51Å; Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 PolarHBondContact O-N 3.3Å; V456-K459 WeakPolarHBondContact O-CB 3.22Å; V456-K459 PolarHBondContact O-N 3.27Å; F457-K459 VanDerWaalsContact C-N 3.34Å; F457-K459 PolarHBondContact O-N 3.46Å; K459-L461 PolarHBondContact O-N 3.24Å; K459-Q462 PolarHBondContact O-N 3.41Å; K459-K463 WeakPolarHBondContact O-CG 3.48Å; K459-K463 PolarHBondContact O-N 2.99Å; K459-K463 VanDerWaalsContact O-N 3.07Å |
| 460 | A | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L312 V386 F396 V456 F457 Q462 K463 L464 | L312-A460 HydrophobicContact CD1-CB 4.31Å; V386-A460 HydrophobicContact CG1-CB 3.83Å; V386-A460 HydrophobicContact CG2-CB 4.22Å; F396-A460 HydrophobicContact CD1-CB 3.98Å; F396-A460 HydrophobicContact CE1-CB 3.53Å; F396-A460 HydrophobicContact CE2-CB 4.14Å; F396-A460 HydrophobicContact CG-CB 4.48Å; F396-A460 HydrophobicContact CZ-CB 3.62Å; V456-A460 PolarHBondContact O-N 3.11Å; F457-A460 PolarHBondContact O-N 3.4Å; A460-Q462 VanDerWaalsContact C-N 3.3Å; A460-Q462 PolarHBondContact O-N 3.49Å; A460-K463 WeakPolarHBondContact O-CB 3.35Å; A460-K463 PolarHBondContact O-N 3.46Å; A460-K463 VanDerWaalsContact O-N 3.12Å; A460-L464 WeakPolarHBondContact O-CG 3.3Å; A460-L464 PolarHBondContact O-N 3.21Å |
| 461 | L | 94.6 | Very high | 86 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 178 | -174.4 | 65.3 | 0 | 0 | 0 | 112.6 | L312 F457 L458 K459 K465 | L312-L461 HydrophobicContact CD1-CB 4.24Å; L312-L461 HydrophobicContact CD1-CD1 4.31Å; F457-L461 HydrophobicContact CE1-CD2 4.38Å; F457-L461 WeakPolarHBondContact O-CB 3.48Å; F457-L461 PolarHBondContact O-N 2.97Å; L458-L461 PolarHBondContact O-N 3.35Å; K459-L461 PolarHBondContact O-N 3.24Å; L461-K465 HydrophobicContact CG-CD 4.48Å; L461-K465 WeakPolarHBondContact O-CG 3.24Å; L461-K465 PolarHBondContact O-N 3.45Å; L461-K465 VanDerWaalsContact O-N 3.11Å |
| 462 | Q | 94.3 | Very high | 83.5 | Confident | 144 Ų | 144 | 72 Ų | 72 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 177 | -172.5 | 177.7 | 7.4 | 0 | 0 | 111.7 | L458 K459 A460 K465 A466 | L458-Q462 WeakPolarHBondContact O-CB 3.46Å; L458-Q462 PolarHBondContact O-N 3.45Å; K459-Q462 PolarHBondContact O-N 3.41Å; A460-Q462 VanDerWaalsContact C-N 3.3Å; A460-Q462 PolarHBondContact O-N 3.49Å; Q462-K465 PolarHBondContact O-N 3.04Å; Q462-A466 PolarHBondContact O-N 3.41Å |
| 463 | K | 94.4 | Very high | 80.7 | Confident | 58 Ų | 58 | 77.1 Ų | 77.1 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.6 | -73.4 | -173.7 | 164.3 | -149.9 | 0 | 112.2 | E385 V386 D387 K459 A460 K465 A466 G467 | E385-K463 IonicContact OE2-NZ 2.67Å; E385-K463 PolarHBondContact OE2-NZ 3.23Å; V386-K463 HydrophobicContact CG2-CB 3.67Å; V386-K463 HydrophobicContact CG2-CD 4.26Å; D387-K463 VanDerWaalsContact CG-NZ 3.29Å; D387-K463 IonicContact OD1-NZ 2.67Å; D387-K463 PolarHBondContact OD1-NZ 2.98Å; D387-K463 IonicContact OD2-NZ 3.76Å; D387-K463 PolarHBondContact OD2-NZ 2.61Å; K459-K463 WeakPolarHBondContact O-CG 3.48Å; K459-K463 PolarHBondContact O-N 2.99Å; K459-K463 VanDerWaalsContact O-N 3.07Å; A460-K463 WeakPolarHBondContact O-CB 3.35Å; A460-K463 PolarHBondContact O-N 3.46Å; A460-K463 VanDerWaalsContact O-N 3.12Å; K463-K465 VanDerWaalsContact C-N 3.34Å; K463-K465 PolarHBondContact O-N 3.46Å; K463-A466 PolarHBondContact O-N 3.45Å; K463-G467 PolarHBondContact O-N 3.16Å |
| 464 | L | 90.9 | Very high | 77.9 | Confident | 26 Ų | 26 | 87.5 Ų | 87.5 | 14% | 0.136 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.2 | -65.7 | 174.7 | 0 | 0 | 0 | 111.9 | L312 V386 P393 A460 G467 R468 | L312-L464 HydrophobicContact CD1-CD1 3.69Å; L312-L464 HydrophobicContact CD2-CD1 3.89Å; L312-L464 HydrophobicContact CG-CD1 3.61Å; V386-L464 HydrophobicContact CB-CD2 4.26Å; V386-L464 HydrophobicContact CG2-CD2 3.91Å; V386-L464 HydrophobicContact CG2-CG 3.98Å; P393-L464 HydrophobicContact CB-CD2 3.69Å; P393-L464 HydrophobicContact CG-CD2 3.9Å; A460-L464 WeakPolarHBondContact O-CG 3.3Å; A460-L464 PolarHBondContact O-N 3.21Å; L464-G467 PolarHBondContact O-N 3.17Å; L464-R468 WeakPolarHBondContact O-CG 3.48Å; L464-R468 PolarHBondContact O-N 3.26Å |
| 465 | K | 88.2 | Confident | 75 | Confident | 99 Ų | 99 | 87.1 Ų | 87.1 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 175.3 | -73.8 | 173.5 | -178.4 | 175 | 0 | 111.5 | L461 Q462 K463 G467 R468 F469 | L461-K465 HydrophobicContact CG-CD 4.48Å; L461-K465 WeakPolarHBondContact O-CG 3.24Å; L461-K465 PolarHBondContact O-N 3.45Å; L461-K465 VanDerWaalsContact O-N 3.11Å; Q462-K465 PolarHBondContact O-N 3.04Å; K463-K465 VanDerWaalsContact C-N 3.34Å; K463-K465 PolarHBondContact O-N 3.46Å; K465-G467 PolarHBondContact O-N 3.13Å; K465-R468 PolarHBondContact O-N 2.7Å; K465-F469 WeakPolarHBondContact O-CD2 3.15Å; K465-F469 PolarHBondContact O-N 3.42Å |
| 466 | A | 85.4 | Confident | 72 | Confident | 53 Ų | 53 | 85 Ų | 85 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q462 K463 R468 F469 H470 | Q462-A466 PolarHBondContact O-N 3.41Å; K463-A466 PolarHBondContact O-N 3.45Å; A466-R468 PolarHBondContact O-N 3.4Å; A466-F469 PolarHBondContact O-N 3.42Å; A466-H470 PolarHBondContact O-N 3.34Å |
| 467 | G | 75.2 | Confident | 69 | Low | 43 Ų | 43 | 92.9 Ų | 92.9 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K463 L464 K465 F469 H470 S471 | K463-G467 PolarHBondContact O-N 3.16Å; L464-G467 PolarHBondContact O-N 3.17Å; K465-G467 PolarHBondContact O-N 3.13Å; G467-F469 VanDerWaalsContact C-N 3.3Å; G467-F469 PolarHBondContact O-N 3.35Å; G467-H470 PolarHBondContact O-N 3.44Å; G467-H470 VanDerWaalsContact O-N 3.13Å; G467-S471 PolarHBondContact O-N 3.34Å; G467-S471 VanDerWaalsContact O-N 3.17Å; G467-S471 PolarHBondContact O-OG 3.3Å |
| 468 | R | 66.3 | Low | 66 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -31.8 | 177.5 | -68.3 | -179 | -168 | -153.7 | 3.6 | 113.4 | D309 G310 L464 K465 A466 H470 S471 S472 | D309-R468 PolarHBondContact O-NH2 2.97Å; G310-R468 PolarHBondContact O-NH2 3Å; L464-R468 WeakPolarHBondContact O-CG 3.48Å; L464-R468 PolarHBondContact O-N 3.26Å; K465-R468 PolarHBondContact O-N 2.7Å; A466-R468 PolarHBondContact O-N 3.4Å; R468-H470 VanDerWaalsContact C-N 3.33Å; R468-S471 PolarHBondContact O-OG 3.49Å; R468-S472 PolarHBondContact O-N 3.38Å; R468-S472 PolarHBondContact O-OG 3.3Å |
| 469 | F | 56.6 | Low | 62.9 | Low | 145 Ų | 145 | 105 Ų | 105 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.4 | -22.3 | 176.5 | -74.5 | -70.6 | 0 | 0 | 0 | 113.2 | K465 A466 G467 S472 | K465-F469 WeakPolarHBondContact O-CD2 3.15Å; K465-F469 PolarHBondContact O-N 3.42Å; A466-F469 PolarHBondContact O-N 3.42Å; G467-F469 VanDerWaalsContact C-N 3.3Å; G467-F469 PolarHBondContact O-N 3.35Å; F469-S472 WeakPolarHBondContact CA-OG 3.47Å; F469-S472 PolarHBondContact O-OG 2.82Å |
| 470 | H | 48.2 | Very low | 60 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -87.4 | -35.9 | 178.4 | -80.8 | 24.9 | 0 | 0 | 0 | 112.6 | A466 G467 R468 R473 R474 | A466-H470 PolarHBondContact O-N 3.34Å; G467-H470 PolarHBondContact O-N 3.44Å; G467-H470 VanDerWaalsContact O-N 3.13Å; R468-H470 VanDerWaalsContact C-N 3.33Å; H470-R473 PolarHBondContact O-N 3.26Å; H470-R474 PolarHBondContact O-N 3.33Å |
| 471 | S | 47.4 | Very low | 56.8 | Low | 81 Ų | 81 | 113.1 Ų | 113.1 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67 | -36.8 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | G467 R468 R473 R474 G475 | G467-S471 PolarHBondContact O-N 3.34Å; G467-S471 VanDerWaalsContact O-N 3.17Å; G467-S471 PolarHBondContact O-OG 3.3Å; R468-S471 PolarHBondContact O-OG 3.49Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 3.24Å; S471-R474 PolarHBondContact O-N 3.39Å; S471-G475 PolarHBondContact O-N 2.83Å |
| 472 | S | 43.1 | Very low | 53.7 | Low | 78 Ų | 78 | 123.1 Ų | 123.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.7 | -18.7 | 175.5 | 41.4 | 0 | 0 | 0 | 0 | 114.6 | R468 F469 | R468-S472 PolarHBondContact O-N 3.38Å; R468-S472 PolarHBondContact O-OG 3.3Å; F469-S472 WeakPolarHBondContact CA-OG 3.47Å; F469-S472 PolarHBondContact O-OG 2.82Å |
| 473 | R | 38.3 | Very low | 50.8 | Low | 208 Ų | 208 | 122.3 Ų | 122.3 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.7 | -24.2 | 173.1 | -75.4 | -175.5 | 178.5 | -171.2 | -0.1 | 113.9 | H470 S471 | H470-R473 PolarHBondContact O-N 3.26Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 3.24Å |
| 474 | R | 37.3 | Very low | 47.6 | Very low | 233 Ų | 233 | 125.5 Ų | 125.5 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.6 | -17.8 | 178.4 | -78 | -173.8 | 175.7 | -165.8 | -0.5 | 113.9 | H470 S471 | H470-R474 PolarHBondContact O-N 3.33Å; S471-R474 PolarHBondContact O-N 3.39Å |
| 475 | G | 33.6 | Very low | 44.6 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -84.3 | 3.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | S471 | S471-G475 PolarHBondContact O-N 2.83Š|
| 476 | A | 33.7 | Very low | 41.7 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | trans | -98.2 | 13.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 477 | E | 35.3 | Very low | 38.9 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -113.3 | 17.6 | -176.8 | -83.2 | -171.7 | 170.5 | 0 | 0 | 116.3 | ||
| 478 | L | 34.3 | Very low | 36.7 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -130.1 | 102.5 | 172 | -72 | 168.5 | 0 | 0 | 0 | 113.1 | ||
| 479 | Q | 30.8 | Very low | 34.9 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 71.9 | 140.5 | 157.8 | -64.7 | -94.7 | 4.7 | 0 | 0 | 119.8 | ||||
| 480 | P | 34.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 125.9 | -174.2 | 35.7 | -27.3 | 0 | 0 | 0 | 112.6 | ||||
| 481 | S | 31.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -134.6 | 135.5 | 164 | 53.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 482 | R | 29.2 | Very low | 32.7 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -49.7 | 150.3 | -172.8 | -94.3 | 173.2 | 162 | 173.4 | -5.7 | 115.2 | ||||
| 483 | P | 31.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -79 | 133 | -178.9 | 32.3 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 484 | T | 27.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -105.7 | 142.7 | 157.3 | -10 | 0 | 0 | 0 | 0 | 107.3 | L486 | T484-L486 PolarHBondContact O-N 3.07Å; T484-L486 VanDerWaalsContact O-N 3.15Å | ||
| 485 | P | 27.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 110.1 | -166.9 | 21.9 | -15.2 | 0 | 0 | 0 | 110.7 | ||||
| 486 | L | 28 | Very low | 31.7 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -68.6 | 127.3 | 163.9 | -80.1 | 157.3 | 0 | 0 | 0 | 108.9 | T484 R488 | T484-L486 PolarHBondContact O-N 3.07Å; T484-L486 VanDerWaalsContact O-N 3.15Å; L486-R488 PolarHBondContact O-N 3.48Å | ||
| 487 | S | 26.9 | Very low | 31.9 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -46.9 | 125.8 | 166.9 | -178 | 0 | 0 | 0 | 0 | 110 | D489 | S487-D489 PolarHBondContact O-N 3.5Š| ||
| 488 | R | 28.5 | Very low | 31.6 | Very low | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -67.7 | 95.4 | 165.2 | -91.7 | 176.2 | 157.4 | 177.9 | -5.5 | 107.9 | L486 | L486-R488 PolarHBondContact O-N 3.48Š| ||
| 489 | D | 29 | Very low | 31.4 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -114.1 | 128.1 | 152.9 | -84.3 | -45.3 | 0 | 0 | 0 | 109.1 | S487 | S487-D489 PolarHBondContact O-N 3.5Š| ||
| 490 | S | 30.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -59.5 | 152 | -157 | -52.8 | 0 | 0 | 0 | 0 | 116 | R492 | S490-R492 PolarHBondContact O-N 3.2Š| ||
| 491 | P | 35.8 | Very low | 31.5 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 117.4 | 165.9 | 26.9 | -28.3 | 0 | 0 | 0 | 109.2 | S493 | P491-S493 VanDerWaalsContact C-N 3.26Å; P491-S493 PolarHBondContact O-N 2.92Å | ||
| 492 | R | 38.6 | Very low | 31.9 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -63.3 | 88.5 | 169.1 | -75.4 | 179.3 | 176.3 | -177.3 | -3.5 | 108.7 | E413 S490 L494 | E413-R492 IonicContact OE2-NH2 3.17Å; E413-R492 PolarHBondContact OE2-NH2 3.2Å; S490-R492 PolarHBondContact O-N 3.2Å; R492-L494 PolarHBondContact O-N 2.96Å | ||
| 493 | S | 32 | Very low | 32.9 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | trans | -68 | 116.8 | 169.6 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | P491 H495 | P491-S493 VanDerWaalsContact C-N 3.26Å; P491-S493 PolarHBondContact O-N 2.92Å; S493-H495 VanDerWaalsContact C-N 3.3Å; S493-H495 PolarHBondContact O-N 3.48Å | ||
| 494 | L | 38.6 | Very low | 34.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | -68.9 | 90.2 | 165.1 | -80.6 | 156 | 0 | 0 | 0 | 108 | R492 T496 | R492-L494 PolarHBondContact O-N 2.96Å; L494-T496 PolarHBondContact O-N 2.71Å | ||
| 495 | H | 32.1 | Very low | 36.2 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -62.4 | 128.5 | 164.1 | -81.3 | -74.1 | 0 | 0 | 0 | 109.2 | S493 | S493-H495 VanDerWaalsContact C-N 3.3Å; S493-H495 PolarHBondContact O-N 3.48Å | ||
| 496 | T | 29.8 | Very low | 38.9 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -44.7 | 127.5 | 163.7 | -25.1 | 0 | 0 | 0 | 0 | 109.1 | L494 S498 | L494-T496 PolarHBondContact O-N 2.71Å; T496-S498 PolarHBondContact O-N 3.28Å | ||
| 497 | P | 38.5 | Very low | 41.8 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -70.3 | 109.9 | -179.6 | 26 | -28.9 | 0 | 0 | 0 | 108.5 | L499 | P497-L499 PolarHBondContact O-N 3.02Š| ||
| 498 | S | 28.6 | Very low | 44.9 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | trans | -72.1 | 109.3 | 151.7 | 61.2 | 0 | 0 | 0 | 0 | 106.1 | T496 R500 | T496-S498 PolarHBondContact O-N 3.28Å; S498-R500 PolarHBondContact O-N 2.94Å | ||
| 499 | L | 29.6 | Very low | 48 | Very low | 149 Ų | 149 | 105.9 Ų | 105.9 | 78% | 0.78 | 59% | 0.593 | S | S | * | * | trans | -52.7 | 104.1 | 165.9 | -86 | 147.1 | 0 | 0 | 0 | 107 | P497 | P497-L499 PolarHBondContact O-N 3.02Š| ||
| 500 | R | 33.9 | Very low | 51.2 | Low | 176 Ų | 176 | 105.2 Ų | 105.2 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | trans | -75.5 | 142.2 | 169.2 | -68.4 | -169.8 | -176.1 | -169 | 2.5 | 106.4 | S498 S502 D503 | S498-R500 PolarHBondContact O-N 2.94Å; R500-S502 WeakPolarHBondContact CB-OG 3.27Å; R500-S502 PolarHBondContact O-N 3.46Å; R500-D503 PolarHBondContact O-N 3.01Å | ||
| 501 | P | 33.2 | Very low | 54.3 | Low | 134 Ų | 134 | 100.7 Ų | 100.7 | 87% | 0.87 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 4.7 | 176.6 | -23.5 | 32.9 | 0 | 0 | 0 | 115.9 | ||
| 502 | S | 40.5 | Very low | 57.1 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -6.2 | -175.6 | 46.7 | 0 | 0 | 0 | 0 | 115 | R500 V504 | R500-S502 WeakPolarHBondContact CB-OG 3.27Å; R500-S502 PolarHBondContact O-N 3.46Å; S502-V504 PolarHBondContact O-N 3.49Å |
| 503 | D | 49.7 | Very low | 59.7 | Low | 105 Ų | 105 | 93.8 Ų | 93.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | trans | -77.2 | 21.8 | -177.1 | -60.1 | -24.7 | 0 | 0 | 0 | 114 | R500 V505 | R500-D503 PolarHBondContact O-N 3.01Å; D503-V505 PolarHBondContact O-N 3.11Å; D503-V505 VanDerWaalsContact O-N 3.11Å | ||
| 504 | V | 59.6 | Low | 62.7 | Low | 102 Ų | 102 | 94.5 Ų | 94.5 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | trans | -76.6 | 103.3 | 178 | -176 | 0 | 0 | 0 | 0 | 108.4 | S502 Q506 | S502-V504 PolarHBondContact O-N 3.49Å; V504-Q506 WeakPolarHBondContact O-CG 3.19Å; V504-Q506 PolarHBondContact O-N 2.97Å | ||
| 505 | V | 68.8 | Low | 65.2 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | trans | -49.8 | 113.9 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | D503 V507 M532 | D503-V505 PolarHBondContact O-N 3.11Å; D503-V505 VanDerWaalsContact O-N 3.11Å; V505-V507 VanDerWaalsContact CG1-O 3.24Å; V505-V507 WeakPolarHBondContact CG1-O 3.13Å; V505-M532 HydrophobicContact CB-CE 3.78Å; V505-M532 HydrophobicContact CG1-CE 3.51Å; V505-M532 WeakPolarHBondContact O-CE 3.21Å | ||
| 506 | Q | 84.3 | Confident | 68 | Low | 62 Ų | 62 | 89.8 Ų | 89.8 | 29% | 0.29 | 50% | 0.497 | S | S | . | . | trans | -90.3 | -25.3 | -173.2 | -54.9 | -166.7 | 17.6 | 0 | 0 | 112.6 | V504 N531 M532 S533 | V504-Q506 WeakPolarHBondContact O-CG 3.19Å; V504-Q506 PolarHBondContact O-N 2.97Å; Q506-N531 PolarHBondContact O-OD1 2.87Å; Q506-M532 PolarHBondContact O-N 2.88Å; Q506-S533 PolarHBondContact O-N 2.84Å | ||
| 507 | V | 89.3 | Confident | 70.9 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.012 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.8 | 179.6 | 170.1 | 0 | 0 | 0 | 0 | 108.9 | V505 L509 L530 K537 L539 I609 | V505-V507 VanDerWaalsContact CG1-O 3.24Å; V505-V507 WeakPolarHBondContact CG1-O 3.13Å; V507-L509 HydrophobicContact CG1-CD2 4.27Å; V507-L530 CarbonylContact C-O 3.53Å; V507-L530 WeakPolarHBondContact CA-O 3.41Å; V507-K537 HydrophobicContact CG2-CB 4.21Å; V507-K537 HydrophobicContact CG2-CD 4.12Å; V507-K537 HydrophobicContact CG2-CG 3.83Å; V507-L539 HydrophobicContact CG1-CD1 3.59Å; V507-L539 HydrophobicContact CG1-CD2 4.3Å; V507-L539 HydrophobicContact CG2-CD1 4.25Å; V507-L539 HydrophobicContact CG2-CD2 4.3Å; V507-I609 HydrophobicContact CB-CD1 3.6Å; V507-I609 HydrophobicContact CG1-CD1 3.87Å |
| 508 | S | 91.8 | Very high | 73.3 | Confident | 48 Ų | 48 | 81.9 Ų | 81.9 | 34% | 0.336 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | A529 L530 | S508-A529 WeakPolarHBondContact O-CA 3.28Å; S508-L530 PolarHBondContact N-O 2.92Å; S508-L530 PolarHBondContact O-N 3.09Å |
| 509 | L | 94.2 | Very high | 76.1 | Confident | 13 Ų | 13 | 77.8 Ų | 77.8 | 7% | 0.068 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.8 | 173.2 | -63 | -177.7 | 0 | 0 | 0 | 109.7 | V507 L527 L528 A529 V541 I609 V611 | V507-L509 HydrophobicContact CG1-CD2 4.27Å; L509-L527 HydrophobicContact CB-CD1 4.22Å; L509-L528 CarbonylContact C-O 3.6Å; L509-L528 WeakPolarHBondContact CA-O 3.41Å; L509-A529 HydrophobicContact CD2-CB 3.64Å; L509-V541 HydrophobicContact CD1-CG1 4.38Å; L509-V541 HydrophobicContact CD1-CG2 4.46Å; L509-I609 HydrophobicContact CB-CG2 4.39Å; L509-I609 HydrophobicContact CD1-CB 4.27Å; L509-I609 HydrophobicContact CD1-CG2 3.96Å; L509-I609 HydrophobicContact CG-CG2 4.05Å; L509-V611 HydrophobicContact CB-CB 4.21Å; L509-V611 HydrophobicContact CB-CG1 3.62Å; L509-V611 HydrophobicContact CD1-CG1 4.48Å |
| 510 | K | 95 | Very high | 79 | Confident | 134 Ų | 134 | 71.3 Ų | 71.3 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 134.2 | 178.5 | -175.3 | 173.2 | -178.2 | 173.4 | 0 | 112.2 | L528 | K510-L528 HydrophobicContact CB-CB 4.4Å; K510-L528 PolarHBondContact N-O 2.98Å; K510-L528 WeakPolarHBondContact O-CB 3.39Å; K510-L528 PolarHBondContact O-N 2.78Å |
| 511 | F | 95.8 | Very high | 81.7 | Confident | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138 | 170.2 | -68.3 | -61.5 | 0 | 0 | 0 | 112.2 | F525 V526 L527 L543 I596 A598 V611 K613 | F511-F525 AromaticContact CD1-CD2 3.9Å; F511-F525 HydrophobicContact CD1-CD2 3.9Å; F511-F525 AromaticContact CD1-CE2 3.91Å; F511-F525 HydrophobicContact CD1-CE2 3.91Å; F511-F525 HydrophobicContact CE1-CD2 4.3Å; F511-F525 AromaticContact CE1-CE2 3.84Å; F511-F525 HydrophobicContact CE1-CE2 3.84Å; F511-V526 WeakPolarHBondContact CA-O 3.29Å; F511-L527 HydrophobicContact CD1-CB 4.36Å; F511-L527 HydrophobicContact CD1-CD1 4.02Å; F511-L527 HydrophobicContact CE1-CB 4.24Å; F511-L527 HydrophobicContact CE1-CD1 3.8Å; F511-L527 HydrophobicContact CZ-CD1 4.3Å; F511-L543 HydrophobicContact CE1-CD2 3.66Å; F511-L543 HydrophobicContact CZ-CD2 3.75Å; F511-I596 HydrophobicContact CB-CD1 3.9Å; F511-I596 HydrophobicContact CD1-CD1 3.67Å; F511-I596 HydrophobicContact CD2-CD1 3.77Å; F511-I596 HydrophobicContact CD2-CG1 3.92Å; F511-I596 HydrophobicContact CE1-CD1 4.05Å; F511-I596 HydrophobicContact CE2-CB 4.43Å; F511-I596 HydrophobicContact CE2-CD1 4.13Å; F511-I596 HydrophobicContact CE2-CG1 4.01Å; F511-I596 HydrophobicContact CG-CD1 3.51Å; F511-I596 HydrophobicContact CG-CG1 4.2Å; F511-I596 HydrophobicContact CZ-CB 4.46Å; F511-I596 HydrophobicContact CZ-CD1 4.24Å; F511-I596 HydrophobicContact CZ-CG1 4.37Å; F511-A598 HydrophobicContact CE1-CB 4.27Å; F511-A598 HydrophobicContact CE2-CB 4.06Å; F511-A598 HydrophobicContact CZ-CB 3.48Å; F511-A598 VanDerWaalsContact CZ-CB 3.48Å; F511-V611 HydrophobicContact CD2-CG1 4.22Å; F511-V611 HydrophobicContact CD2-CG2 4.32Å; F511-V611 HydrophobicContact CE2-CG1 3.9Å; F511-V611 HydrophobicContact CZ-CG1 4.43Å; F511-K613 HydrophobicContact CB-CB 4.12Å; F511-K613 HydrophobicContact CB-CD 3.94Å; F511-K613 HydrophobicContact CD2-CB 4Å; F511-K613 HydrophobicContact CG-CB 4.47Å |
| 512 | K | 94.8 | Very high | 84.7 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.4 | 171.5 | -177.6 | -178.1 | 177.5 | -174.4 | 0 | 110 | F525 V526 L528 | K512-F525 CarbonylContact O-C 3.57Å; K512-F525 WeakPolarHBondContact O-CA 3.17Å; K512-F525 WeakPolarHBondContact O-CB 3.48Å; K512-V526 HydrophobicContact CB-CG2 3.88Å; K512-V526 PolarHBondContact N-O 3.03Å; K512-V526 PolarHBondContact O-N 3.22Å; K512-L528 HydrophobicContact CB-CD1 4.2Å; K512-L528 HydrophobicContact CD-CD1 4.49Å |
| 513 | L | 94.3 | Very high | 87.3 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.9 | 171 | -63.8 | 179.3 | 0 | 0 | 0 | 109.5 | P517 I523 F525 I615 | L513-P517 HydrophobicContact CD1-CG 4.14Å; L513-I523 HydrophobicContact CD2-CG2 4.33Å; L513-F525 HydrophobicContact CD2-CB 3.84Å; L513-I615 HydrophobicContact CD2-CD1 3.8Å; L513-I615 HydrophobicContact CD2-CG1 4.16Å |
| 514 | L | 94.7 | Very high | 89.5 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -84.6 | -37.2 | 175.7 | -66.4 | 178 | 0 | 0 | 0 | 111.4 | C524 V526 | L514-C524 HydrophobicContact CB-CB 4.23Å; L514-C524 HydrophobicContact CD1-CB 4.17Å; L514-C524 PolarHBondContact N-O 2.78Å; L514-V526 HydrophobicContact CD1-CG1 4.08Å; L514-V526 HydrophobicContact CD2-CG1 3.87Å; L514-V526 HydrophobicContact CD2-CG2 4.43Å; L514-V526 HydrophobicContact CG-CG1 4.16Å |
| 515 | D | 91.5 | Very high | 91.3 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -135.3 | 161 | -178.6 | -61.2 | -71.4 | 0 | 0 | 0 | 110.9 | ||
| 516 | P | 89.8 | Confident | 92.7 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 57% | 0.571 | 27% | 0.265 | S | S | * | . | trans | -57.1 | 132.5 | 169.5 | -24 | 34.6 | 0 | 0 | 0 | 111.4 | N518 | P516-N518 PolarHBondContact O-N 3.26Š| ||
| 517 | P | 90.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | trans | -80.4 | 84.3 | -176 | 34.2 | -36.8 | 0 | 0 | 0 | 110.5 | L513 I615 T616 L617 S618 | L513-P517 HydrophobicContact CD1-CG 4.14Å; P517-I615 HydrophobicContact CB-CG2 3.58Å; P517-I615 HydrophobicContact CG-CG2 3.73Å; P517-T616 VanDerWaalsContact CG-O 3.31Å; P517-T616 WeakPolarHBondContact CG-O 3.36Å; P517-L617 HydrophobicContact CB-CD2 4Å; P517-L617 CarbonylContact O-C 3.6Å; P517-L617 VanDerWaalsContact O-CA 3.32Å; P517-L617 WeakPolarHBondContact O-CA 3.49Å; P517-S618 PolarHBondContact O-N 2.72Å | ||
| 518 | N | 90 | Very high | 93.7 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 138.7 | 178.9 | -58.2 | -50.2 | 0 | 0 | 0 | 111.6 | P516 G520 Q521 | P516-N518 PolarHBondContact O-N 3.26Å; N518-G520 PolarHBondContact O-N 2.95Å; N518-Q521 HydrophobicContact CB-CG 4.27Å; N518-Q521 PolarHBondContact ND2-OE1 3.09Å; N518-Q521 VanDerWaalsContact ND2-OE1 3.08Å; N518-Q521 PolarHBondContact O-N 2.64Å; N518-Q521 VanDerWaalsContact O-N 3.14Å |
| 519 | M | 88.1 | Confident | 93.9 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 132.5 | 174.5 | -178.7 | 62.9 | 172.4 | 0 | 0 | 110.8 | Y581 Y584 L588 L617 S618 Y619 L646 | M519-Y581 HydrophobicContact CE-CE2 3.97Å; M519-Y581 HydrophobicContact SD-CE2 4.23Å; M519-Y584 HydrophobicContact SD-CE2 4.25Å; M519-L588 HydrophobicContact CE-CD1 3.66Å; M519-L588 HydrophobicContact SD-CD1 3.59Å; M519-L588 VanDerWaalsContact SD-CD1 3.59Å; M519-L617 HydrophobicContact SD-CD1 3.76Å; M519-S618 WeakPolarHBondContact CB-O 3.08Å; M519-S618 PolarHBondContact N-O 3.42Å; M519-Y619 HydrophobicContact CB-CD1 4.18Å; M519-Y619 HydrophobicContact CB-CD2 4.23Å; M519-Y619 HydrophobicContact CB-CE1 3.95Å; M519-Y619 HydrophobicContact CB-CE2 3.95Å; M519-Y619 HydrophobicContact CB-CG 4.33Å; M519-Y619 WeakPolarHBondContact CE-OH 3.43Å; M519-Y619 HydrophobicContact CG-CD1 4.21Å; M519-Y619 HydrophobicContact CG-CE1 3.56Å; M519-Y619 HydrophobicContact CG-CE2 4.15Å; M519-Y619 HydrophobicContact SD-CE1 4.46Å; M519-Y619 PolarHBondContact SD-OH 3.3Å; M519-L646 HydrophobicContact CE-CD2 4.43Å; M519-L646 HydrophobicContact CG-CD2 4.05Å |
| 520 | G | 89.1 | Confident | 93.9 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N518 Y581 Y584 | N518-G520 PolarHBondContact O-N 2.95Å; G520-Y581 VanDerWaalsContact CA-CD2 3.45Å; G520-Y584 PolarHBondContact N-OH 2.91Å |
| 521 | Q | 92.3 | Very high | 93.9 | Very high | 108 Ų | 108 | 44 Ų | 44 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -108.6 | 160.5 | 178.2 | -62 | -174.7 | -19.2 | 0 | 0 | 111.8 | N518 Y584 | N518-Q521 HydrophobicContact CB-CG 4.27Å; N518-Q521 PolarHBondContact ND2-OE1 3.09Å; N518-Q521 VanDerWaalsContact ND2-OE1 3.08Å; N518-Q521 PolarHBondContact O-N 2.64Å; N518-Q521 VanDerWaalsContact O-N 3.14Å; Q521-Y584 VanDerWaalsContact O-CE1 3.32Å; Q521-Y584 WeakPolarHBondContact O-CE1 3.4Å; Q521-Y584 PolarHBondContact O-OH 3.32Å |
| 522 | D | 95.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | trans | -69.8 | 141.4 | 173.8 | -61.9 | -22.3 | 0 | 0 | 0 | 110.5 | K578 S580 Y581 | D522-K578 HydrophobicContact CB-CG 4.48Å; D522-K578 VanDerWaalsContact CG-CE 3.41Å; D522-K578 WeakPolarHBondContact OD2-CE 3.3Å; D522-K578 IonicContact OD2-NZ 2.73Å; D522-K578 PolarHBondContact OD2-NZ 2.9Å; D522-S580 WeakPolarHBondContact OD1-CA 3.4Å; D522-S580 WeakPolarHBondContact OD1-CB 3.13Å; D522-Y581 PolarHBondContact OD1-N 3.07Å | ||
| 523 | I | 95.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.8 | 175.8 | -55.8 | 169 | 0 | 0 | 0 | 108.1 | L513 F525 K578 I579 Y584 I594 I615 L617 | L513-I523 HydrophobicContact CD2-CG2 4.33Å; I523-F525 HydrophobicContact CG2-CD1 4.18Å; I523-K578 WeakPolarHBondContact O-CA 3.33Å; I523-I579 HydrophobicContact CB-CB 4.35Å; I523-I579 PolarHBondContact N-O 2.95Å; I523-I579 PolarHBondContact O-N 3.03Å; I523-Y584 HydrophobicContact CD1-CD1 3.85Å; I523-Y584 HydrophobicContact CD1-CE1 3.77Å; I523-Y584 HydrophobicContact CD1-CG 4.47Å; I523-Y584 HydrophobicContact CG1-CD1 4.26Å; I523-Y584 HydrophobicContact CG1-CE1 3.76Å; I523-I594 HydrophobicContact CD1-CD1 3.57Å; I523-I615 HydrophobicContact CG2-CD1 3.93Å; I523-L617 HydrophobicContact CD1-CD2 3.99Å; I523-L617 HydrophobicContact CG1-CD2 4.4Å |
| 524 | C | 96.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.1 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | L514 | L514-C524 HydrophobicContact CB-CB 4.23Å; L514-C524 HydrophobicContact CD1-CB 4.17Å; L514-C524 PolarHBondContact N-O 2.78Å |
| 525 | F | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 168.3 | -178.9 | 66.3 | -83.3 | 0 | 0 | 0 | 111.8 | F511 K512 L513 I523 W559 C577 I579 I596 | F511-F525 AromaticContact CD1-CD2 3.9Å; F511-F525 HydrophobicContact CD1-CD2 3.9Å; F511-F525 AromaticContact CD1-CE2 3.91Å; F511-F525 HydrophobicContact CD1-CE2 3.91Å; F511-F525 HydrophobicContact CE1-CD2 4.3Å; F511-F525 AromaticContact CE1-CE2 3.84Å; F511-F525 HydrophobicContact CE1-CE2 3.84Å; K512-F525 CarbonylContact O-C 3.57Å; K512-F525 WeakPolarHBondContact O-CA 3.17Å; K512-F525 WeakPolarHBondContact O-CB 3.48Å; L513-F525 HydrophobicContact CD2-CB 3.84Å; I523-F525 HydrophobicContact CG2-CD1 4.18Å; F525-W559 HydrophobicContact CZ-CH2 4.08Å; F525-W559 HydrophobicContact CZ-CZ3 4.21Å; F525-C577 HydrophobicContact CD1-CB 3.95Å; F525-C577 HydrophobicContact CD2-CB 3.76Å; F525-C577 HydrophobicContact CE1-CB 3.59Å; F525-C577 HydrophobicContact CE2-CB 3.38Å; F525-C577 HydrophobicContact CG-CB 4.03Å; F525-C577 HydrophobicContact CZ-CB 3.3Å; F525-C577 PolarHBondContact N-O 2.95Å; F525-C577 PolarHBondContact O-N 3.49Å; F525-C577 VanDerWaalsContact O-O 3.04Å; F525-I579 HydrophobicContact CE1-CD1 3.76Å; F525-I579 HydrophobicContact CE1-CG1 3.95Å; F525-I579 HydrophobicContact CZ-CD1 4.27Å; F525-I596 HydrophobicContact CD2-CD1 3.8Å; F525-I596 HydrophobicContact CE2-CD1 3.7Å; F525-I596 HydrophobicContact CG-CD1 4.34Å; F525-I596 HydrophobicContact CZ-CD1 4.16Å; F525-I596 HydrophobicContact CZ-CG2 4.21Å |
| 526 | V | 97.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.2 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | F511 K512 L514 L528 Y575 | F511-V526 WeakPolarHBondContact CA-O 3.29Å; K512-V526 HydrophobicContact CB-CG2 3.88Å; K512-V526 PolarHBondContact N-O 3.03Å; K512-V526 PolarHBondContact O-N 3.22Å; L514-V526 HydrophobicContact CD1-CG1 4.08Å; L514-V526 HydrophobicContact CD2-CG1 3.87Å; L514-V526 HydrophobicContact CD2-CG2 4.43Å; L514-V526 HydrophobicContact CG-CG1 4.16Å; V526-L528 HydrophobicContact CG2-CD2 3.75Å; V526-L528 HydrophobicContact CG2-CG 4.24Å; V526-Y575 CarbonylContact C-O 3.59Å; V526-Y575 WeakPolarHBondContact CA-O 3.4Å |
| 527 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115 | 161.7 | 177.5 | 71 | 0 | 0 | 0 | 108.5 | L509 F511 V541 L543 I565 T574 Y575 A598 V611 | L509-L527 HydrophobicContact CB-CD1 4.22Å; F511-L527 HydrophobicContact CD1-CB 4.36Å; F511-L527 HydrophobicContact CD1-CD1 4.02Å; F511-L527 HydrophobicContact CE1-CB 4.24Å; F511-L527 HydrophobicContact CE1-CD1 3.8Å; F511-L527 HydrophobicContact CZ-CD1 4.3Å; L527-V541 HydrophobicContact CD2-CB 4.3Å; L527-V541 HydrophobicContact CD2-CG1 3.8Å; L527-V541 HydrophobicContact CD2-CG2 4.37Å; L527-L543 HydrophobicContact CD2-CD2 4.41Å; L527-I565 HydrophobicContact CD2-CD1 4.18Å; L527-T574 CarbonylContact O-C 3.6Å; L527-T574 WeakPolarHBondContact O-CA 3.17Å; L527-Y575 PolarHBondContact N-O 3.3Å; L527-Y575 PolarHBondContact O-N 3.14Å; L527-A598 HydrophobicContact CD1-CB 4.12Å; L527-V611 HydrophobicContact CD1-CG1 4.25Å |
| 528 | L | 97 | Very high | 93.4 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 29% | 0.293 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.3 | 172.5 | -53.3 | 176.8 | 0 | 0 | 0 | 108.3 | L509 K510 K512 V526 T574 | L509-L528 CarbonylContact C-O 3.6Å; L509-L528 WeakPolarHBondContact CA-O 3.41Å; K510-L528 HydrophobicContact CB-CB 4.4Å; K510-L528 PolarHBondContact N-O 2.98Å; K510-L528 WeakPolarHBondContact O-CB 3.39Å; K510-L528 PolarHBondContact O-N 2.78Å; K512-L528 HydrophobicContact CB-CD1 4.2Å; K512-L528 HydrophobicContact CD-CD1 4.49Å; V526-L528 HydrophobicContact CG2-CD2 3.75Å; V526-L528 HydrophobicContact CG2-CG 4.24Å; L528-T574 HydrophobicContact CD2-CG2 3.31Å |
| 529 | A | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S508 L509 I565 L567 A572 K573 | S508-A529 WeakPolarHBondContact O-CA 3.28Å; L509-A529 HydrophobicContact CD2-CB 3.64Å; A529-I565 HydrophobicContact CB-CD1 4.07Å; A529-I565 HydrophobicContact CB-CG2 4.27Å; A529-L567 HydrophobicContact CB-CD1 4.07Å; A529-A572 CarbonylContact O-C 3.44Å; A529-A572 VanDerWaalsContact O-CA 3.29Å; A529-A572 WeakPolarHBondContact O-CA 3.43Å; A529-K573 PolarHBondContact N-O 2.68Å; A529-K573 PolarHBondContact O-N 2.83Å |
| 530 | L | 95.1 | Very high | 93.9 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.1 | -180 | 172.3 | 67.2 | 0 | 0 | 0 | 109.9 | V507 S508 M532 A572 | V507-L530 CarbonylContact C-O 3.53Å; V507-L530 WeakPolarHBondContact CA-O 3.41Å; S508-L530 PolarHBondContact N-O 2.92Å; S508-L530 PolarHBondContact O-N 3.09Å; L530-M532 HydrophobicContact CD2-CG 3.96Å; L530-M532 HydrophobicContact CD2-SD 4.4Å; L530-M532 HydrophobicContact CG-CG 4Å; L530-A572 HydrophobicContact CD1-CB 3.94Å |
| 531 | N | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 110.7 | 170.6 | -179.1 | 5.7 | 0 | 0 | 0 | 109.9 | Q506 S533 Q535 K537 L567 S568 K570 E571 | Q506-N531 PolarHBondContact O-OD1 2.87Å; N531-S533 VanDerWaalsContact C-N 3.35Å; N531-S533 WeakPolarHBondContact OD1-CB 3.31Å; N531-S533 PolarHBondContact OD1-N 2.86Å; N531-S533 PolarHBondContact OD1-OG 2.72Å; N531-Q535 PolarHBondContact ND2-O 3.05Å; N531-K537 HydrophobicContact CB-CG 4.45Å; N531-K537 WeakPolarHBondContact OD1-CG 3.1Å; N531-L567 HydrophobicContact CB-CB 3.7Å; N531-L567 HydrophobicContact CB-CD1 3.96Å; N531-L567 HydrophobicContact CB-CG 4.42Å; N531-L567 PolarHBondContact ND2-O 3.46Å; N531-S568 PolarHBondContact ND2-O 3.14Å; N531-K570 WeakPolarHBondContact O-CA 3.32Å; N531-K570 PolarHBondContact O-N 3.23Å; N531-E571 PolarHBondContact N-O 3.1Å |
| 532 | M | 91.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | trans | -89.5 | -6.3 | 179.1 | -60.2 | -170.5 | -59.9 | 0 | 0 | 112.1 | V505 Q506 L530 K570 | V505-M532 HydrophobicContact CB-CE 3.78Å; V505-M532 HydrophobicContact CG1-CE 3.51Å; V505-M532 WeakPolarHBondContact O-CE 3.21Å; Q506-M532 PolarHBondContact O-N 2.88Å; L530-M532 HydrophobicContact CD2-CG 3.96Å; L530-M532 HydrophobicContact CD2-SD 4.4Å; L530-M532 HydrophobicContact CG-CG 4Å; M532-K570 PolarHBondContact O-NZ 3.46Å | ||
| 533 | S | 89.8 | Confident | 94.4 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -86.3 | 168 | 177.8 | 82.8 | 0 | 0 | 0 | 0 | 112.8 | Q506 N531 Q535 K537 K570 | Q506-S533 PolarHBondContact O-N 2.84Å; N531-S533 VanDerWaalsContact C-N 3.35Å; N531-S533 WeakPolarHBondContact OD1-CB 3.31Å; N531-S533 PolarHBondContact OD1-N 2.86Å; N531-S533 PolarHBondContact OD1-OG 2.72Å; S533-Q535 VanDerWaalsContact C-N 3.3Å; S533-Q535 PolarHBondContact OG-N 2.98Å; S533-Q535 PolarHBondContact OG-O 2.97Å; S533-Q535 VanDerWaalsContact OG-O 3.08Å; S533-K537 VanDerWaalsContact OG-CE 3.26Å; S533-K537 WeakPolarHBondContact OG-CE 3.36Å; S533-K570 PolarHBondContact O-N 3.38Å |
| 534 | S | 90.4 | Very high | 94.5 | Very high | 100 Ų | 100 | 35.3 Ų | 35.3 | 70% | 0.699 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -87.7 | 2.9 | 169.2 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | P569 | S534-P569 WeakPolarHBondContact O-CB 3.48Å; S534-P569 VanDerWaalsContact O-CG 3.24Å; S534-P569 WeakPolarHBondContact O-CG 3.31Å |
| 535 | Q | 90.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 33.6 Ų | 33.6 | 59% | 0.589 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -108.2 | 156 | -177.5 | -64.5 | -177 | -2.8 | 0 | 0 | 110.7 | N531 S533 | N531-Q535 PolarHBondContact ND2-O 3.05Å; S533-Q535 VanDerWaalsContact C-N 3.3Å; S533-Q535 PolarHBondContact OG-N 2.98Å; S533-Q535 PolarHBondContact OG-O 2.97Å; S533-Q535 VanDerWaalsContact OG-O 3.08Å |
| 536 | F | 92.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 34 Ų | 34 | 51% | 0.509 | 18% | 0.176 | S | C | . | . | trans | -65.2 | 145.8 | 170.6 | 173.7 | -95 | 0 | 0 | 0 | 110.8 | D538 T566 L567 | F536-D538 HydrophobicContact CE1-CB 3.93Å; F536-D538 HydrophobicContact CZ-CB 4.48Å; F536-T566 HydrophobicContact CE2-CG2 4.47Å; F536-T566 HydrophobicContact CZ-CG2 3.83Å; F536-L567 WeakPolarHBondContact CD2-O 3.46Å | ||
| 537 | K | 92.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.1 | 179.6 | -61.6 | -69.1 | 174.6 | 179.3 | 0 | 111 | V507 N531 S533 T566 L567 E602 | V507-K537 HydrophobicContact CG2-CB 4.21Å; V507-K537 HydrophobicContact CG2-CD 4.12Å; V507-K537 HydrophobicContact CG2-CG 3.83Å; N531-K537 HydrophobicContact CB-CG 4.45Å; N531-K537 WeakPolarHBondContact OD1-CG 3.1Å; S533-K537 VanDerWaalsContact OG-CE 3.26Å; S533-K537 WeakPolarHBondContact OG-CE 3.36Å; K537-T566 CarbonylContact O-C 3.45Å; K537-T566 WeakPolarHBondContact O-CA 3.42Å; K537-L567 HydrophobicContact CB-CB 4.31Å; K537-L567 PolarHBondContact N-O 3.48Å; K537-L567 PolarHBondContact O-N 3.05Å; K537-E602 HydrophobicContact CD-CG 4.06Å; K537-E602 WeakPolarHBondContact CD-OE1 3.41Å; K537-E602 WeakPolarHBondContact CD-OE2 3.3Å; K537-E602 IonicContact NZ-OE1 2.75Å; K537-E602 PolarHBondContact NZ-OE1 3.34Å; K537-E602 IonicContact NZ-OE2 2.7Å; K537-E602 PolarHBondContact NZ-OE2 2.95Å |
| 538 | D | 93.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 109.3 | 174.9 | -171.1 | -0.8 | 0 | 0 | 0 | 108.9 | F536 K603 | F536-D538 HydrophobicContact CE1-CB 3.93Å; F536-D538 HydrophobicContact CZ-CB 4.48Å; D538-K603 HydrophobicContact CB-CD 4.35Å; D538-K603 PolarHBondContact O-N 3.06Å; D538-K603 IonicContact OD1-NZ 2.8Å; D538-K603 VanDerWaalsContact OD2-CD 3.3Å; D538-K603 WeakPolarHBondContact OD2-CD 3.43Å; D538-K603 VanDerWaalsContact OD2-CE 3.27Å; D538-K603 WeakPolarHBondContact OD2-CE 3.38Å; D538-K603 IonicContact OD2-NZ 2.71Å; D538-K603 PolarHBondContact OD2-NZ 3.09Å |
| 539 | L | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130 | -170.5 | -61.9 | 164.2 | 0 | 0 | 0 | 110.4 | V507 V541 F564 I565 L567 E601 E602 | V507-L539 HydrophobicContact CG1-CD1 3.59Å; V507-L539 HydrophobicContact CG1-CD2 4.3Å; V507-L539 HydrophobicContact CG2-CD1 4.25Å; V507-L539 HydrophobicContact CG2-CD2 4.3Å; L539-V541 HydrophobicContact CB-CG2 4.29Å; L539-F564 WeakPolarHBondContact O-CA 3.38Å; L539-I565 HydrophobicContact CB-CB 4.39Å; L539-I565 WeakPolarHBondContact CB-O 3.4Å; L539-I565 PolarHBondContact N-O 3.27Å; L539-I565 PolarHBondContact O-N 2.96Å; L539-L567 HydrophobicContact CD1-CD1 3.62Å; L539-L567 HydrophobicContact CD1-CG 4.47Å; L539-E601 WeakPolarHBondContact CA-O 3.47Å; L539-E602 HydrophobicContact CD2-CB 3.84Å; L539-E602 HydrophobicContact CD2-CG 4.15Å |
| 540 | K | 94.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 31.7 Ų | 31.7 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.4 | 159.6 | -179.7 | -173.9 | 176.5 | -170.7 | 0 | 108 | N542 T562 F564 G600 E601 | K540-N542 WeakPolarHBondContact CE-OD1 3.46Å; K540-T562 HydrophobicContact CG-CG2 4.14Å; K540-F564 HydrophobicContact CB-CD1 4.3Å; K540-F564 HydrophobicContact CB-CE1 4.22Å; K540-F564 HydrophobicContact CD-CE1 4.11Å; K540-F564 HydrophobicContact CG-CD1 4.25Å; K540-F564 HydrophobicContact CG-CE1 3.81Å; K540-F564 HydrophobicContact CG-CZ 4.41Å; K540-G600 CarbonylContact O-C 3.6Å; K540-E601 PolarHBondContact N-O 3.46Å; K540-E601 PolarHBondContact O-N 2.87Å |
| 541 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.5 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | L509 L527 L539 L543 T562 A563 I565 A598 L599 | L509-V541 HydrophobicContact CD1-CG1 4.38Å; L509-V541 HydrophobicContact CD1-CG2 4.46Å; L527-V541 HydrophobicContact CD2-CB 4.3Å; L527-V541 HydrophobicContact CD2-CG1 3.8Å; L527-V541 HydrophobicContact CD2-CG2 4.37Å; L539-V541 HydrophobicContact CB-CG2 4.29Å; V541-L543 HydrophobicContact CG1-CG 4.48Å; V541-T562 CarbonylContact O-C 3.58Å; V541-T562 WeakPolarHBondContact O-CA 3.43Å; V541-A563 HydrophobicContact CB-CB 4.37Å; V541-A563 PolarHBondContact N-O 3.24Å; V541-A563 PolarHBondContact O-N 3.44Å; V541-I565 HydrophobicContact CG2-CD1 4.22Å; V541-A598 HydrophobicContact CG1-CB 3.67Å; V541-L599 WeakPolarHBondContact CA-O 3.45Å |
| 542 | N | 96.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.2 | 172.1 | -57.1 | -47 | 0 | 0 | 0 | 108.9 | N320 K540 A598 L599 | N320-N542 PolarHBondContact O-ND2 3.05Å; K540-N542 WeakPolarHBondContact CE-OD1 3.46Å; N542-A598 CarbonylContact O-C 3.58Å; N542-A598 WeakPolarHBondContact O-CA 3.47Å; N542-L599 PolarHBondContact N-O 2.87Å; N542-L599 PolarHBondContact O-N 3.01Å |
| 543 | L | 96.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.8 | -176.3 | -71.4 | 153.3 | 0 | 0 | 0 | 109.5 | F511 L527 V541 W559 Q560 D561 A563 Y575 S597 A598 | F511-L543 HydrophobicContact CE1-CD2 3.66Å; F511-L543 HydrophobicContact CZ-CD2 3.75Å; L527-L543 HydrophobicContact CD2-CD2 4.41Å; V541-L543 HydrophobicContact CG1-CG 4.48Å; L543-W559 HydrophobicContact CB-CH2 3.8Å; L543-W559 HydrophobicContact CB-CZ3 3.7Å; L543-W559 HydrophobicContact CD1-CH2 4.26Å; L543-W559 HydrophobicContact CG-CH2 4.48Å; L543-Q560 VanDerWaalsContact O-CA 3.24Å; L543-Q560 WeakPolarHBondContact O-CA 3.45Å; L543-D561 HydrophobicContact CB-CB 4.09Å; L543-D561 HydrophobicContact CD1-CB 4.11Å; L543-D561 PolarHBondContact N-O 2.78Å; L543-D561 PolarHBondContact O-N 3.13Å; L543-A563 HydrophobicContact CD1-CB 4.4Å; L543-Y575 HydrophobicContact CD1-CD1 4.25Å; L543-Y575 HydrophobicContact CD1-CE1 4.09Å; L543-S597 WeakPolarHBondContact CA-O 3.43Å; L543-A598 HydrophobicContact CD2-CB 3.77Å |
| 544 | S | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146 | 177.6 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | W559 I596 S597 | S544-W559 CarbonylContact C-O 3.54Å; S544-W559 WeakPolarHBondContact CA-O 3.28Å; S544-I596 WeakPolarHBondContact O-CA 3.19Å; S544-S597 PolarHBondContact N-O 3.24Å; S544-S597 PolarHBondContact O-N 3.18Å; S544-S597 PolarHBondContact O-OG 3.25Å |
| 545 | A | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P557 F558 W559 I579 I594 R595 I596 | A545-P557 WeakPolarHBondContact O-CA 3.26Å; A545-F558 HydrophobicContact CB-CE1 4.4Å; A545-F558 HydrophobicContact CB-CE2 3.85Å; A545-F558 HydrophobicContact CB-CZ 3.77Å; A545-F558 PolarHBondContact O-N 3.47Å; A545-F558 VanDerWaalsContact O-N 3.15Å; A545-W559 HydrophobicContact CB-CB 4.04Å; A545-W559 HydrophobicContact CB-CE3 3.92Å; A545-W559 PolarHBondContact N-O 2.96Å; A545-I579 HydrophobicContact CB-CD1 3.83Å; A545-I594 HydrophobicContact CB-CG2 4.24Å; A545-R595 WeakPolarHBondContact CA-O 3.31Å; A545-I596 HydrophobicContact CB-CG2 3.97Å |
| 546 | Q | 94.5 | Very high | 91 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.8 | 177.1 | -71.2 | 174.6 | -80.7 | 0 | 0 | 109 | P554 L555 P557 R595 | Q546-P554 HydrophobicContact CB-CB 4.45Å; Q546-L555 WeakPolarHBondContact CG-O 3.46Å; Q546-L555 PolarHBondContact NE2-O 3.09Å; Q546-P557 HydrophobicContact CG-CB 3.91Å; Q546-R595 PolarHBondContact N-O 3.36Å; Q546-R595 PolarHBondContact O-N 2.99Å |
| 547 | S | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 146.4 | 165.4 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | L555 F558 Y587 L593 | S547-L555 PolarHBondContact O-N 2.86Å; S547-F558 WeakPolarHBondContact OG-CE1 3.37Å; S547-Y587 WeakPolarHBondContact CB-O 3.49Å; S547-Y587 PolarHBondContact OG-O 3.37Å; S547-L593 WeakPolarHBondContact CA-O 3.28Å |
| 548 | L | 88.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.4 | 174.5 | -59.3 | -175.3 | 0 | 0 | 0 | 109.9 | N335 P554 S589 L593 R595 I614 | N335-L548 WeakPolarHBondContact OD1-CD1 3.44Å; L548-P554 HydrophobicContact CD2-CB 4.06Å; L548-S589 VanDerWaalsContact O-CB 3.26Å; L548-S589 WeakPolarHBondContact O-CB 3.5Å; L548-S589 PolarHBondContact O-OG 2.96Å; L548-L593 HydrophobicContact CB-CB 4.29Å; L548-L593 PolarHBondContact N-O 3.07Å; L548-R595 HydrophobicContact CD1-CB 3.81Å; L548-R595 HydrophobicContact CD2-CB 4.03Å; L548-R595 HydrophobicContact CG-CB 3.87Å; L548-I614 HydrophobicContact CD1-CD1 4.07Å; L548-I614 HydrophobicContact CD1-CG1 4.2Å |
| 549 | L | 85.7 | Confident | 91.2 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 12% | 0.12 | 12% | 0.118 | C | C | . | . | trans | -71.4 | 165.9 | 161.3 | -60.3 | -174.5 | 0 | 0 | 0 | 110 | E244 N335 D551 G552 S553 L555 | E244-L549 HydrophobicContact CG-CD2 3.43Å; E244-L549 VanDerWaalsContact CG-CD2 3.43Å; N335-L549 PolarHBondContact ND2-O 3.17Å; L549-D551 VanDerWaalsContact C-N 3.28Å; L549-D551 VanDerWaalsContact CB-OD1 3.3Å; L549-D551 WeakPolarHBondContact CB-OD1 3.31Å; L549-D551 PolarHBondContact O-N 3.31Å; L549-G552 PolarHBondContact O-N 3.43Å; L549-S553 PolarHBondContact N-O 2.81Å; L549-L555 HydrophobicContact CD1-CD2 4.28Å; L549-L555 HydrophobicContact CD2-CD1 4.1Å; L549-L555 HydrophobicContact CD2-CD2 3.93Å; L549-L555 HydrophobicContact CD2-CG 4.09Å; L549-L555 HydrophobicContact CG-CD2 4.03Å; L549-L555 HydrophobicContact CG-CG 4.3Å | ||
| 550 | H | 82.4 | Confident | 91.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -50.1 | 178.5 | -180 | 65.2 | 0 | 0 | 0 | 113.5 | W242 C278 W279 W334 N335 F336 G552 D591 | W242-H550 AromaticContact CD1-CD2 3.9Å; W242-H550 AromaticContact NE1-CD2 3.52Å; C278-H550 PolarHBondContact SG-NE2 3.22Å; W279-H550 AromaticContact CE3-CE1 4Å; W279-H550 AromaticContact CZ3-CE1 3.74Å; W279-H550 AromaticContact CZ3-ND1 3.62Å; W334-H550 AromaticContact CE3-CD2 3.7Å; W334-H550 AromaticContact CE3-NE2 3.54Å; W334-H550 AromaticContact CZ3-CD2 3.77Å; W334-H550 AromaticContact CZ3-NE2 3.75Å; N335-H550 PolarHBondContact N-O 3.37Å; N335-H550 PolarHBondContact ND2-O 2.86Å; F336-H550 AromaticContact CD2-CE1 3.77Å; F336-H550 AromaticContact CE1-CE1 3.71Å; F336-H550 AromaticContact CE1-ND1 3.69Å; F336-H550 AromaticContact CE2-CE1 3.39Å; F336-H550 WeakPolarHBondContact CE2-CE1 3.19Å; F336-H550 AromaticContact CZ-CE1 3.35Å; F336-H550 WeakPolarHBondContact CZ-CE1 3.47Å; F336-H550 AromaticContact CZ-ND1 3.56Å; F336-H550 PolarHBondContact O-CE1 3Å; F336-H550 PolarHBondContact O-NE2 3.34Å; H550-G552 PolarHBondContact O-N 2.76Å; H550-G552 VanDerWaalsContact O-N 3.09Å; H550-D591 WeakPolarHBondContact CA-OD2 3.47Å; H550-D591 WeakPolarHBondContact CB-OD2 3.44Å; H550-D591 IonicContact CG-OD1 2.67Å; H550-D591 PolarHBondContact N-OD2 2.82Å; H550-D591 VanDerWaalsContact N-OD2 3.08Å; H550-D591 IonicContact ND1-OD1 3.87Å; H550-D591 PolarHBondContact ND1-OD1 2.84Å |
| 551 | D | 83 | Confident | 91.4 | Very high | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.2 | -178.8 | 70.4 | -19 | 0 | 0 | 0 | 114.2 | W334 L549 S553 | W334-D551 VanDerWaalsContact CD1-O 3.27Å; W334-D551 HydrophobicContact CD2-CB 3.99Å; W334-D551 HydrophobicContact CG-CB 4.3Å; W334-D551 HydrophobicContact CZ2-CB 3.98Å; L549-D551 VanDerWaalsContact C-N 3.28Å; L549-D551 VanDerWaalsContact CB-OD1 3.3Å; L549-D551 WeakPolarHBondContact CB-OD1 3.31Å; L549-D551 PolarHBondContact O-N 3.31Å; D551-S553 VanDerWaalsContact C-N 3.26Å; D551-S553 VanDerWaalsContact CG-OG 3.23Å; D551-S553 PolarHBondContact O-N 3.21Å; D551-S553 WeakPolarHBondContact OD1-CB 3.29Å; D551-S553 PolarHBondContact OD1-N 2.88Å; D551-S553 PolarHBondContact OD1-OG 3.38Å; D551-S553 PolarHBondContact OD2-OG 3.09Å |
| 552 | G | 84.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 77.7 | 8.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K329 I333 L549 H550 | K329-G552 PolarHBondContact NZ-O 3.16Å; I333-G552 WeakPolarHBondContact O-CA 3.25Å; L549-G552 PolarHBondContact O-N 3.43Å; H550-G552 PolarHBondContact O-N 2.76Å; H550-G552 VanDerWaalsContact O-N 3.09Å |
| 553 | S | 84.6 | Confident | 91.4 | Very high | 32 Ų | 32 | 27 Ų | 27 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | trans | -68.4 | 127.7 | 171.8 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | L549 D551 | L549-S553 PolarHBondContact N-O 2.81Å; D551-S553 VanDerWaalsContact C-N 3.26Å; D551-S553 VanDerWaalsContact CG-OG 3.23Å; D551-S553 PolarHBondContact O-N 3.21Å; D551-S553 WeakPolarHBondContact OD1-CB 3.29Å; D551-S553 PolarHBondContact OD1-N 2.88Å; D551-S553 PolarHBondContact OD1-OG 3.38Å; D551-S553 PolarHBondContact OD2-OG 3.09Å | ||
| 554 | P | 88.2 | Confident | 91.3 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.4 | -179.6 | 33.8 | -36 | 0 | 0 | 0 | 111.3 | I324 Q546 L548 | I324-P554 HydrophobicContact CB-CB 4.21Å; I324-P554 HydrophobicContact CB-CG 3.95Å; I324-P554 HydrophobicContact CG2-CG 3.81Å; Q546-P554 HydrophobicContact CB-CB 4.45Å; L548-P554 HydrophobicContact CD2-CB 4.06Å |
| 555 | L | 89.1 | Confident | 91.3 | Very high | 61 Ų | 61 | 34 Ų | 34 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 175.4 | 164.3 | -63.3 | -177.5 | 0 | 0 | 0 | 110.8 | Q546 S547 L549 | Q546-L555 WeakPolarHBondContact CG-O 3.46Å; Q546-L555 PolarHBondContact NE2-O 3.09Å; S547-L555 PolarHBondContact O-N 2.86Å; L549-L555 HydrophobicContact CD1-CD2 4.28Å; L549-L555 HydrophobicContact CD2-CD1 4.1Å; L549-L555 HydrophobicContact CD2-CD2 3.93Å; L549-L555 HydrophobicContact CD2-CG 4.09Å; L549-L555 HydrophobicContact CG-CD2 4.03Å; L549-L555 HydrophobicContact CG-CG 4.3Å |
| 556 | S | 89.8 | Confident | 91.2 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 63% | 0.629 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 141.7 | 177.6 | -72 | 0 | 0 | 0 | 0 | 111 | F558 | S556-F558 PolarHBondContact O-N 2.88Å |
| 557 | P | 93.4 | Very high | 91.3 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133 | 177.1 | 27.4 | -34.1 | 0 | 0 | 0 | 110 | A545 Q546 Q560 | A545-P557 WeakPolarHBondContact O-CA 3.26Å; Q546-P557 HydrophobicContact CG-CB 3.91Å; P557-Q560 HydrophobicContact CB-CG 4.41Å |
| 558 | F | 94.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -12.5 | 179 | 62.4 | -104.6 | 0 | 0 | 0 | 112.6 | A545 S547 S556 I579 Y587 I594 | A545-F558 HydrophobicContact CB-CE1 4.4Å; A545-F558 HydrophobicContact CB-CE2 3.85Å; A545-F558 HydrophobicContact CB-CZ 3.77Å; A545-F558 PolarHBondContact O-N 3.47Å; A545-F558 VanDerWaalsContact O-N 3.15Å; S547-F558 WeakPolarHBondContact OG-CE1 3.37Å; S556-F558 PolarHBondContact O-N 2.88Å; F558-I579 HydrophobicContact CD2-CG2 4.49Å; F558-I579 HydrophobicContact CE2-CD1 4.44Å; F558-I579 HydrophobicContact CE2-CG2 3.77Å; F558-Y587 HydrophobicContact CB-CD1 4.36Å; F558-Y587 HydrophobicContact CB-CD2 3.25Å; F558-Y587 HydrophobicContact CB-CE2 3.56Å; F558-Y587 HydrophobicContact CB-CG 3.68Å; F558-Y587 HydrophobicContact CD1-CD2 4.45Å; F558-Y587 HydrophobicContact CD1-CG 4.34Å; F558-Y587 AromaticContact CG-CD2 3.96Å; F558-Y587 HydrophobicContact CG-CD2 3.96Å; F558-Y587 HydrophobicContact CG-CG 4.28Å; F558-I594 HydrophobicContact CE1-CG1 4.34Å; F558-I594 HydrophobicContact CE1-CG2 4.27Å; F558-I594 HydrophobicContact CZ-CD1 4.02Å; F558-I594 HydrophobicContact CZ-CG1 4.05Å; F558-I594 HydrophobicContact CZ-CG2 3.7Å |
| 559 | W | 96.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 137.2 | 176.6 | 177.7 | 95.5 | 0 | 0 | 0 | 109.9 | F525 L543 S544 A545 D561 C577 K578 I579 | F525-W559 HydrophobicContact CZ-CH2 4.08Å; F525-W559 HydrophobicContact CZ-CZ3 4.21Å; L543-W559 HydrophobicContact CB-CH2 3.8Å; L543-W559 HydrophobicContact CB-CZ3 3.7Å; L543-W559 HydrophobicContact CD1-CH2 4.26Å; L543-W559 HydrophobicContact CG-CH2 4.48Å; S544-W559 CarbonylContact C-O 3.54Å; S544-W559 WeakPolarHBondContact CA-O 3.28Å; A545-W559 HydrophobicContact CB-CB 4.04Å; A545-W559 HydrophobicContact CB-CE3 3.92Å; A545-W559 PolarHBondContact N-O 2.96Å; W559-D561 HydrophobicContact CH2-CB 3.6Å; W559-D561 HydrophobicContact CZ2-CB 3.52Å; W559-D561 HydrophobicContact CZ3-CB 4.37Å; W559-C577 HydrophobicContact CH2-CB 4.26Å; W559-C577 HydrophobicContact CZ2-CB 4.31Å; W559-K578 PolarHBondContact NE1-O 3.28Å; W559-I579 HydrophobicContact CB-CG1 4.37Å; W559-I579 HydrophobicContact CD2-CD1 4.13Å; W559-I579 HydrophobicContact CD2-CG1 3.83Å; W559-I579 HydrophobicContact CE3-CD1 4.22Å; W559-I579 HydrophobicContact CE3-CG1 4.37Å; W559-I579 HydrophobicContact CG-CD1 4.26Å; W559-I579 HydrophobicContact CG-CG1 3.8Å |
| 560 | Q | 95.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.9 | 176 | -65.1 | -173.7 | -52.3 | 0 | 0 | 109.3 | T321 L543 P557 | T321-Q560 PolarHBondContact OG1-NE2 3.25Å; L543-Q560 VanDerWaalsContact O-CA 3.24Å; L543-Q560 WeakPolarHBondContact O-CA 3.45Å; P557-Q560 HydrophobicContact CB-CG 4.41Å |
| 561 | D | 96.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 166.8 | 177.5 | -164.3 | 7.8 | 0 | 0 | 0 | 110.6 | L543 W559 Y575 | L543-D561 HydrophobicContact CB-CB 4.09Å; L543-D561 HydrophobicContact CD1-CB 4.11Å; L543-D561 PolarHBondContact N-O 2.78Å; L543-D561 PolarHBondContact O-N 3.13Å; W559-D561 HydrophobicContact CH2-CB 3.6Å; W559-D561 HydrophobicContact CZ2-CB 3.52Å; W559-D561 HydrophobicContact CZ3-CB 4.37Å; D561-Y575 WeakPolarHBondContact OD2-CE1 3.31Å; D561-Y575 PolarHBondContact OD2-OH 3.2Å |
| 562 | T | 96.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 119.2 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | K540 V541 F564 | K540-T562 HydrophobicContact CG-CG2 4.14Å; V541-T562 CarbonylContact O-C 3.58Å; V541-T562 WeakPolarHBondContact O-CA 3.43Å; T562-F564 HydrophobicContact CG2-CD2 4.48Å; T562-F564 HydrophobicContact CG2-CE2 3.84Å; T562-F564 HydrophobicContact CG2-CZ 3.92Å |
| 563 | A | 95 | Very high | 94 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | V541 L543 I565 Y575 | V541-A563 HydrophobicContact CB-CB 4.37Å; V541-A563 PolarHBondContact N-O 3.24Å; V541-A563 PolarHBondContact O-N 3.44Å; L543-A563 HydrophobicContact CD1-CB 4.4Å; A563-I565 HydrophobicContact CB-CD1 4.21Å; A563-I565 HydrophobicContact CB-CG1 4.1Å; A563-Y575 HydrophobicContact CB-CD1 3.95Å; A563-Y575 HydrophobicContact CB-CD2 3.74Å; A563-Y575 HydrophobicContact CB-CE1 3.94Å; A563-Y575 HydrophobicContact CB-CE2 3.72Å; A563-Y575 HydrophobicContact CB-CG 3.84Å |
| 564 | F | 95.6 | Very high | 94.6 | Very high | 141 Ų | 141 | 59.2 Ų | 59.2 | 62% | 0.618 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.6 | 169.4 | -63.5 | -85.5 | 0 | 0 | 0 | 108.1 | L539 K540 T562 | L539-F564 WeakPolarHBondContact O-CA 3.38Å; K540-F564 HydrophobicContact CB-CD1 4.3Å; K540-F564 HydrophobicContact CB-CE1 4.22Å; K540-F564 HydrophobicContact CD-CE1 4.11Å; K540-F564 HydrophobicContact CG-CD1 4.25Å; K540-F564 HydrophobicContact CG-CE1 3.81Å; K540-F564 HydrophobicContact CG-CZ 4.41Å; T562-F564 HydrophobicContact CG2-CD2 4.48Å; T562-F564 HydrophobicContact CG2-CE2 3.84Å; T562-F564 HydrophobicContact CG2-CZ 3.92Å |
| 565 | I | 95.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 5% | 0.046 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116 | -170.6 | -51 | 177.2 | 0 | 0 | 0 | 109.2 | L527 A529 L539 V541 A563 L567 K573 | L527-I565 HydrophobicContact CD2-CD1 4.18Å; A529-I565 HydrophobicContact CB-CD1 4.07Å; A529-I565 HydrophobicContact CB-CG2 4.27Å; L539-I565 HydrophobicContact CB-CB 4.39Å; L539-I565 WeakPolarHBondContact CB-O 3.4Å; L539-I565 PolarHBondContact N-O 3.27Å; L539-I565 PolarHBondContact O-N 2.96Å; V541-I565 HydrophobicContact CG2-CD1 4.22Å; A563-I565 HydrophobicContact CB-CD1 4.21Å; A563-I565 HydrophobicContact CB-CG1 4.1Å; I565-L567 HydrophobicContact CG2-CD2 3.87Å; I565-L567 HydrophobicContact CG2-CG 3.96Å; I565-K573 HydrophobicContact CG2-CB 4.28Å; I565-K573 HydrophobicContact CG2-CD 4.3Å |
| 566 | T | 95.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.4 | 169.3 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | F536 K537 K573 | F536-T566 HydrophobicContact CE2-CG2 4.47Å; F536-T566 HydrophobicContact CZ-CG2 3.83Å; K537-T566 CarbonylContact O-C 3.45Å; K537-T566 WeakPolarHBondContact O-CA 3.42Å; T566-K573 WeakPolarHBondContact O-CD 3.46Å; T566-K573 WeakPolarHBondContact O-CE 3.41Å; T566-K573 PolarHBondContact O-NZ 3.41Å; T566-K573 PolarHBondContact OG1-NZ 3.13Å |
| 567 | L | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.3 | 180 | -59.6 | 168.1 | 0 | 0 | 0 | 110 | A529 N531 F536 K537 L539 I565 K573 | A529-L567 HydrophobicContact CB-CD1 4.07Å; N531-L567 HydrophobicContact CB-CB 3.7Å; N531-L567 HydrophobicContact CB-CD1 3.96Å; N531-L567 HydrophobicContact CB-CG 4.42Å; N531-L567 PolarHBondContact ND2-O 3.46Å; F536-L567 WeakPolarHBondContact CD2-O 3.46Å; K537-L567 HydrophobicContact CB-CB 4.31Å; K537-L567 PolarHBondContact N-O 3.48Å; K537-L567 PolarHBondContact O-N 3.05Å; L539-L567 HydrophobicContact CD1-CD1 3.62Å; L539-L567 HydrophobicContact CD1-CG 4.47Å; I565-L567 HydrophobicContact CG2-CD2 3.87Å; I565-L567 HydrophobicContact CG2-CG 3.96Å; L567-K573 HydrophobicContact CD2-CB 3.82Å; L567-K573 HydrophobicContact CD2-CD 4.07Å; L567-K573 HydrophobicContact CD2-CG 3.78Å |
| 568 | S | 96.1 | Very high | 95.9 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | trans | -63.6 | 162.6 | 165.5 | -48 | 0 | 0 | 0 | 0 | 110.3 | N531 K570 E571 | N531-S568 PolarHBondContact ND2-O 3.14Å; S568-K570 PolarHBondContact O-N 3.33Å; S568-E571 VanDerWaalsContact CB-OE2 3.28Å; S568-E571 WeakPolarHBondContact CB-OE2 3.36Å; S568-E571 PolarHBondContact N-OE2 2.97Å; S568-E571 VanDerWaalsContact O-CB 3.24Å; S568-E571 WeakPolarHBondContact O-CB 3.43Å; S568-E571 PolarHBondContact O-N 3.15Å; S568-E571 PolarHBondContact OG-OE2 2.71Å | ||
| 569 | P | 95.1 | Very high | 96 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129.6 | 174.5 | -29.3 | 37.4 | 0 | 0 | 0 | 111.6 | S534 E571 | S534-P569 WeakPolarHBondContact O-CB 3.48Å; S534-P569 VanDerWaalsContact O-CG 3.24Å; S534-P569 WeakPolarHBondContact O-CG 3.31Å; P569-E571 PolarHBondContact O-N 3.38Å; P569-E571 VanDerWaalsContact O-N 3.09Å |
| 570 | K | 93.1 | Very high | 96 | Very high | 141 Ų | 141 | 61.7 Ų | 61.7 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 7.5 | -179.8 | -50.1 | -59.5 | -176.4 | 172.3 | 0 | 116 | N531 M532 S533 S568 | N531-K570 WeakPolarHBondContact O-CA 3.32Å; N531-K570 PolarHBondContact O-N 3.23Å; M532-K570 PolarHBondContact O-NZ 3.46Å; S533-K570 PolarHBondContact O-N 3.38Å; S568-K570 PolarHBondContact O-N 3.33Å |
| 571 | E | 96.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | trans | -75.2 | 144.6 | 179.2 | -170.6 | 177.1 | -171.9 | 0 | 0 | 111.8 | N531 S568 P569 K573 | N531-E571 PolarHBondContact N-O 3.1Å; S568-E571 VanDerWaalsContact CB-OE2 3.28Å; S568-E571 WeakPolarHBondContact CB-OE2 3.36Å; S568-E571 PolarHBondContact N-OE2 2.97Å; S568-E571 VanDerWaalsContact O-CB 3.24Å; S568-E571 WeakPolarHBondContact O-CB 3.43Å; S568-E571 PolarHBondContact O-N 3.15Å; S568-E571 PolarHBondContact OG-OE2 2.71Å; P569-E571 PolarHBondContact O-N 3.38Å; P569-E571 VanDerWaalsContact O-N 3.09Å; E571-K573 VanDerWaalsContact CD-CE 3.45Å; E571-K573 HydrophobicContact CG-CG 4.36Å; E571-K573 WeakPolarHBondContact OE1-CE 3.36Å; E571-K573 IonicContact OE1-NZ 2.96Å | ||
| 572 | A | 96.3 | Very high | 95.7 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A529 L530 | A529-A572 CarbonylContact O-C 3.44Å; A529-A572 VanDerWaalsContact O-CA 3.29Å; A529-A572 WeakPolarHBondContact O-CA 3.43Å; L530-A572 HydrophobicContact CD1-CB 3.94Å |
| 573 | K | 97.2 | Very high | 95.5 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 32% | 0.317 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 156.2 | 171.8 | -72.8 | -172.6 | -176.8 | 173.1 | 0 | 111.3 | A529 I565 T566 L567 E571 | A529-K573 PolarHBondContact N-O 2.68Å; A529-K573 PolarHBondContact O-N 2.83Å; I565-K573 HydrophobicContact CG2-CB 4.28Å; I565-K573 HydrophobicContact CG2-CD 4.3Å; T566-K573 WeakPolarHBondContact O-CD 3.46Å; T566-K573 WeakPolarHBondContact O-CE 3.41Å; T566-K573 PolarHBondContact O-NZ 3.41Å; T566-K573 PolarHBondContact OG1-NZ 3.13Å; L567-K573 HydrophobicContact CD2-CB 3.82Å; L567-K573 HydrophobicContact CD2-CD 4.07Å; L567-K573 HydrophobicContact CD2-CG 3.78Å; E571-K573 VanDerWaalsContact CD-CE 3.45Å; E571-K573 HydrophobicContact CG-CG 4.36Å; E571-K573 WeakPolarHBondContact OE1-CE 3.36Å; E571-K573 IonicContact OE1-NZ 2.96Å |
| 574 | T | 96.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.8 | 175.4 | 63.4 | 0 | 0 | 0 | 0 | 110 | L527 L528 | L527-T574 CarbonylContact O-C 3.6Å; L527-T574 WeakPolarHBondContact O-CA 3.17Å; L528-T574 HydrophobicContact CD2-CG2 3.31Å |
| 575 | Y | 97.5 | Very high | 95.1 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.8 | 172.4 | -174.7 | -92.8 | 0 | 0 | 0 | 109.3 | V526 L527 L543 D561 A563 | V526-Y575 CarbonylContact C-O 3.59Å; V526-Y575 WeakPolarHBondContact CA-O 3.4Å; L527-Y575 PolarHBondContact N-O 3.3Å; L527-Y575 PolarHBondContact O-N 3.14Å; L543-Y575 HydrophobicContact CD1-CD1 4.25Å; L543-Y575 HydrophobicContact CD1-CE1 4.09Å; D561-Y575 WeakPolarHBondContact OD2-CE1 3.31Å; D561-Y575 PolarHBondContact OD2-OH 3.2Å; A563-Y575 HydrophobicContact CB-CD1 3.95Å; A563-Y575 HydrophobicContact CB-CD2 3.74Å; A563-Y575 HydrophobicContact CB-CE1 3.94Å; A563-Y575 HydrophobicContact CB-CE2 3.72Å; A563-Y575 HydrophobicContact CB-CG 3.84Å |
| 576 | P | 97.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 134.7 | -178.5 | 31.4 | -33.1 | 0 | 0 | 0 | 111.6 | ||
| 577 | C | 97.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.8 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | F525 W559 | F525-C577 HydrophobicContact CD1-CB 3.95Å; F525-C577 HydrophobicContact CD2-CB 3.76Å; F525-C577 HydrophobicContact CE1-CB 3.59Å; F525-C577 HydrophobicContact CE2-CB 3.38Å; F525-C577 HydrophobicContact CG-CB 4.03Å; F525-C577 HydrophobicContact CZ-CB 3.3Å; F525-C577 PolarHBondContact N-O 2.95Å; F525-C577 PolarHBondContact O-N 3.49Å; F525-C577 VanDerWaalsContact O-O 3.04Å; W559-C577 HydrophobicContact CH2-CB 4.26Å; W559-C577 HydrophobicContact CZ2-CB 4.31Å |
| 578 | K | 96.4 | Very high | 93.9 | Very high | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128.7 | 176.1 | -175.5 | 179.6 | 179.3 | -178.6 | 0 | 110 | D522 I523 W559 | D522-K578 HydrophobicContact CB-CG 4.48Å; D522-K578 VanDerWaalsContact CG-CE 3.41Å; D522-K578 WeakPolarHBondContact OD2-CE 3.3Å; D522-K578 IonicContact OD2-NZ 2.73Å; D522-K578 PolarHBondContact OD2-NZ 2.9Å; I523-K578 WeakPolarHBondContact O-CA 3.33Å; W559-K578 PolarHBondContact NE1-O 3.28Å |
| 579 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.6 | 170 | -58.2 | 170.5 | 0 | 0 | 0 | 107 | I523 F525 A545 F558 W559 Q583 Y584 I596 | I523-I579 HydrophobicContact CB-CB 4.35Å; I523-I579 PolarHBondContact N-O 2.95Å; I523-I579 PolarHBondContact O-N 3.03Å; F525-I579 HydrophobicContact CE1-CD1 3.76Å; F525-I579 HydrophobicContact CE1-CG1 3.95Å; F525-I579 HydrophobicContact CZ-CD1 4.27Å; A545-I579 HydrophobicContact CB-CD1 3.83Å; F558-I579 HydrophobicContact CD2-CG2 4.49Å; F558-I579 HydrophobicContact CE2-CD1 4.44Å; F558-I579 HydrophobicContact CE2-CG2 3.77Å; W559-I579 HydrophobicContact CB-CG1 4.37Å; W559-I579 HydrophobicContact CD2-CD1 4.13Å; W559-I579 HydrophobicContact CD2-CG1 3.83Å; W559-I579 HydrophobicContact CE3-CD1 4.22Å; W559-I579 HydrophobicContact CE3-CG1 4.37Å; W559-I579 HydrophobicContact CG-CD1 4.26Å; W559-I579 HydrophobicContact CG-CG1 3.8Å; I579-Q583 HydrophobicContact CG2-CB 4.2Å; I579-Y584 HydrophobicContact CG2-CD1 3.91Å; I579-I596 HydrophobicContact CD1-CG2 4.28Å |
| 580 | S | 94.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 60 Ų | 60 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | -75.8 | 155.4 | -178.6 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | D522 S582 Q583 Y584 | D522-S580 WeakPolarHBondContact OD1-CA 3.4Å; D522-S580 WeakPolarHBondContact OD1-CB 3.13Å; S580-S582 PolarHBondContact O-N 2.83Å; S580-S582 PolarHBondContact OG-OG 3.34Å; S580-Q583 WeakPolarHBondContact O-CB 3.26Å; S580-Q583 PolarHBondContact O-N 2.98Å; S580-Q583 WeakPolarHBondContact OG-CG 3.46Å; S580-Q583 PolarHBondContact OG-N 2.62Å; S580-Q583 PolarHBondContact OG-OE1 2.67Å; S580-Y584 WeakPolarHBondContact O-CD1 3.44Å; S580-Y584 PolarHBondContact O-N 3.11Å | ||
| 581 | Y | 92.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.5 | -43.9 | 174.1 | 174.4 | -113.4 | 0 | 0 | 0 | 112.3 | M519 G520 D522 Q583 Y584 S585 L646 E648 | M519-Y581 HydrophobicContact CE-CE2 3.97Å; M519-Y581 HydrophobicContact SD-CE2 4.23Å; G520-Y581 VanDerWaalsContact CA-CD2 3.45Å; D522-Y581 PolarHBondContact OD1-N 3.07Å; Y581-Q583 PolarHBondContact O-N 3.13Å; Y581-Y584 VanDerWaalsContact CA-CE1 3.42Å; Y581-Y584 HydrophobicContact CD2-CD2 4.46Å; Y581-Y584 HydrophobicContact CD2-CE1 4.38Å; Y581-Y584 AromaticContact CD2-CE2 3.63Å; Y581-Y584 HydrophobicContact CD2-CE2 3.63Å; Y581-Y584 AromaticContact CD2-CZ 3.59Å; Y581-Y584 WeakPolarHBondContact CD2-OH 3.34Å; Y581-Y584 HydrophobicContact CE2-CE2 4.12Å; Y581-Y584 PolarHBondContact O-N 3.31Å; Y581-S585 VanDerWaalsContact CE2-CB 3.45Å; Y581-S585 VanDerWaalsContact CZ-CB 3.49Å; Y581-S585 WeakPolarHBondContact O-CB 3.22Å; Y581-S585 PolarHBondContact O-N 3.28Å; Y581-S585 PolarHBondContact O-OG 3.2Å; Y581-L646 HydrophobicContact CE2-CD2 4.18Å; Y581-E648 WeakPolarHBondContact CE1-OE1 3.27Å; Y581-E648 PolarHBondContact OH-OE1 3.11Å; Y581-E648 VanDerWaalsContact OH-OE1 3.13Å |
| 582 | S | 92.2 | Very high | 91.3 | Very high | 84 Ų | 84 | 51.3 Ų | 51.3 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.7 | -25 | 178.8 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | S580 | S580-S582 PolarHBondContact O-N 2.83Å; S580-S582 PolarHBondContact OG-OG 3.34Å |
| 583 | Q | 93.6 | Very high | 90.9 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.2 | -40.9 | 177.9 | -73.9 | 174.2 | -52.8 | 0 | 0 | 111.7 | I579 S580 Y581 Y587 | I579-Q583 HydrophobicContact CG2-CB 4.2Å; S580-Q583 WeakPolarHBondContact O-CB 3.26Å; S580-Q583 PolarHBondContact O-N 2.98Å; S580-Q583 WeakPolarHBondContact OG-CG 3.46Å; S580-Q583 PolarHBondContact OG-N 2.62Å; S580-Q583 PolarHBondContact OG-OE1 2.67Å; Y581-Q583 PolarHBondContact O-N 3.13Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.42Å; Q583-Y587 WeakPolarHBondContact O-CE2 3.44Å |
| 584 | Y | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -95.9 | -24.8 | -173.6 | 70.6 | -109.2 | 0 | 0 | 0 | 114.1 | M519 G520 Q521 I523 I579 S580 Y581 Q586 Y587 L588 I594 L617 | M519-Y584 HydrophobicContact SD-CE2 4.25Å; G520-Y584 PolarHBondContact N-OH 2.91Å; Q521-Y584 VanDerWaalsContact O-CE1 3.32Å; Q521-Y584 WeakPolarHBondContact O-CE1 3.4Å; Q521-Y584 PolarHBondContact O-OH 3.32Å; I523-Y584 HydrophobicContact CD1-CD1 3.85Å; I523-Y584 HydrophobicContact CD1-CE1 3.77Å; I523-Y584 HydrophobicContact CD1-CG 4.47Å; I523-Y584 HydrophobicContact CG1-CD1 4.26Å; I523-Y584 HydrophobicContact CG1-CE1 3.76Å; I579-Y584 HydrophobicContact CG2-CD1 3.91Å; S580-Y584 WeakPolarHBondContact O-CD1 3.44Å; S580-Y584 PolarHBondContact O-N 3.11Å; Y581-Y584 VanDerWaalsContact CA-CE1 3.42Å; Y581-Y584 HydrophobicContact CD2-CD2 4.46Å; Y581-Y584 HydrophobicContact CD2-CE1 4.38Å; Y581-Y584 AromaticContact CD2-CE2 3.63Å; Y581-Y584 HydrophobicContact CD2-CE2 3.63Å; Y581-Y584 AromaticContact CD2-CZ 3.59Å; Y581-Y584 WeakPolarHBondContact CD2-OH 3.34Å; Y581-Y584 HydrophobicContact CE2-CE2 4.12Å; Y581-Y584 PolarHBondContact O-N 3.31Å; Y584-Q586 VanDerWaalsContact C-N 3.31Å; Y584-Q586 PolarHBondContact O-N 2.9Å; Y584-Q586 VanDerWaalsContact O-N 3.17Å; Y584-Y587 PolarHBondContact O-N 3.39Å; Y584-L588 HydrophobicContact CD2-CD1 3.68Å; Y584-L588 HydrophobicContact CD2-CD2 4.07Å; Y584-L588 HydrophobicContact CD2-CG 3.87Å; Y584-L588 HydrophobicContact CE2-CD1 3.81Å; Y584-L588 HydrophobicContact CE2-CG 4.48Å; Y584-L588 PolarHBondContact O-N 3Å; Y584-I594 HydrophobicContact CD2-CD1 4.36Å; Y584-I594 HydrophobicContact CG-CD1 4.18Å; Y584-L617 HydrophobicContact CD2-CD1 4.3Å; Y584-L617 HydrophobicContact CE2-CD1 3.75Å |
| 585 | S | 89.1 | Confident | 90.6 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 26% | 0.259 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -56.3 | -39 | -167.7 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | Y581 Y587 | Y581-S585 VanDerWaalsContact CE2-CB 3.45Å; Y581-S585 VanDerWaalsContact CZ-CB 3.49Å; Y581-S585 WeakPolarHBondContact O-CB 3.22Å; Y581-S585 PolarHBondContact O-N 3.28Å; Y581-S585 PolarHBondContact O-OG 3.2Å; S585-Y587 VanDerWaalsContact C-N 3.32Å |
| 586 | Q | 87.3 | Confident | 90.4 | Very high | 140 Ų | 140 | 37.5 Ų | 37.5 | 65% | 0.654 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -80.6 | -10.1 | -179.9 | 68.5 | -174.9 | -11.6 | 0 | 0 | 114.3 | Y584 | Y584-Q586 VanDerWaalsContact C-N 3.31Å; Y584-Q586 PolarHBondContact O-N 2.9Å; Y584-Q586 VanDerWaalsContact O-N 3.17Å |
| 587 | Y | 87.4 | Confident | 90.3 | Very high | 94 Ų | 94 | 33.1 Ų | 33.1 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -110.4 | 1.7 | -177.3 | -58.4 | -75.7 | 0 | 0 | 0 | 112.8 | S547 F558 Q583 Y584 S585 S589 | S547-Y587 WeakPolarHBondContact CB-O 3.49Å; S547-Y587 PolarHBondContact OG-O 3.37Å; F558-Y587 HydrophobicContact CB-CD1 4.36Å; F558-Y587 HydrophobicContact CB-CD2 3.25Å; F558-Y587 HydrophobicContact CB-CE2 3.56Å; F558-Y587 HydrophobicContact CB-CG 3.68Å; F558-Y587 HydrophobicContact CD1-CD2 4.45Å; F558-Y587 HydrophobicContact CD1-CG 4.34Å; F558-Y587 AromaticContact CG-CD2 3.96Å; F558-Y587 HydrophobicContact CG-CD2 3.96Å; F558-Y587 HydrophobicContact CG-CG 4.28Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.42Å; Q583-Y587 WeakPolarHBondContact O-CE2 3.44Å; Y584-Y587 PolarHBondContact O-N 3.39Å; S585-Y587 VanDerWaalsContact C-N 3.32Å; Y587-S589 PolarHBondContact O-N 2.8Å |
| 588 | L | 85.6 | Confident | 90.2 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 17% | 0.173 | 17% | 0.165 | C | C | . | . | trans | -69.6 | 132 | -179.4 | -75 | 172.3 | 0 | 0 | 0 | 111.1 | M519 Y584 I594 L617 | M519-L588 HydrophobicContact CE-CD1 3.66Å; M519-L588 HydrophobicContact SD-CD1 3.59Å; M519-L588 VanDerWaalsContact SD-CD1 3.59Å; Y584-L588 HydrophobicContact CD2-CD1 3.68Å; Y584-L588 HydrophobicContact CD2-CD2 4.07Å; Y584-L588 HydrophobicContact CD2-CG 3.87Å; Y584-L588 HydrophobicContact CE2-CD1 3.81Å; Y584-L588 HydrophobicContact CE2-CG 4.48Å; Y584-L588 PolarHBondContact O-N 3Å; L588-I594 HydrophobicContact CD2-CD1 3.88Å; L588-I594 HydrophobicContact CD2-CG1 3.96Å; L588-L617 HydrophobicContact CD1-CD1 3.57Å; L588-L617 HydrophobicContact CD2-CD1 3.61Å; L588-L617 HydrophobicContact CG-CD1 4.25Å | ||
| 589 | S | 84.4 | Confident | 90.1 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | trans | -75 | 167.8 | 166.3 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | L548 Y587 D591 K592 | L548-S589 VanDerWaalsContact O-CB 3.26Å; L548-S589 WeakPolarHBondContact O-CB 3.5Å; L548-S589 PolarHBondContact O-OG 2.96Å; Y587-S589 PolarHBondContact O-N 2.8Å; S589-D591 PolarHBondContact O-N 3.42Å; S589-K592 PolarHBondContact O-N 2.76Å; S589-K592 VanDerWaalsContact O-N 3.09Å | ||
| 590 | T | 79.6 | Confident | 89.9 | Confident | 12 Ų | 12 | 27.2 Ų | 27.2 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -36.6 | 173 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | E244 A253 K592 K706 | E244-T590 WeakPolarHBondContact OE2-CB 3.48Å; E244-T590 PolarHBondContact OE2-N 2.92Å; E244-T590 VanDerWaalsContact OE2-N 3.08Å; E244-T590 PolarHBondContact OE2-OG1 3.38Å; A253-T590 HydrophobicContact CB-CG2 3.44Å; A253-T590 VanDerWaalsContact CB-CG2 3.44Å; T590-K592 WeakPolarHBondContact O-CD 3.44Å; T590-K592 WeakPolarHBondContact O-CE 3.47Å; T590-K592 WeakPolarHBondContact O-CG 3.46Å; T590-K592 PolarHBondContact O-N 2.72Å; T590-K706 HydrophobicContact CG2-CB 4.11Å |
| 591 | D | 77.4 | Confident | 89.8 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.4 | 178.2 | -62.5 | -85.5 | 0 | 0 | 0 | 114.5 | H550 S589 L593 | H550-D591 WeakPolarHBondContact CA-OD2 3.47Å; H550-D591 WeakPolarHBondContact CB-OD2 3.44Å; H550-D591 IonicContact CG-OD1 2.67Å; H550-D591 PolarHBondContact N-OD2 2.82Å; H550-D591 VanDerWaalsContact N-OD2 3.08Å; H550-D591 IonicContact ND1-OD1 3.87Å; H550-D591 PolarHBondContact ND1-OD1 2.84Å; S589-D591 PolarHBondContact O-N 3.42Å; D591-L593 VanDerWaalsContact C-N 3.29Å; D591-L593 HydrophobicContact CB-CD1 4.05Å; D591-L593 HydrophobicContact CB-CG 4Å; D591-L593 WeakPolarHBondContact O-CG 3.49Å; D591-L593 PolarHBondContact O-N 2.93Å |
| 592 | K | 84.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | trans | 60.6 | 37.5 | 175.1 | -51.8 | 132 | 172.5 | 172.2 | 0 | 113.1 | S589 T590 L617 Y619 D707 | S589-K592 PolarHBondContact O-N 2.76Å; S589-K592 VanDerWaalsContact O-N 3.09Å; T590-K592 WeakPolarHBondContact O-CD 3.44Å; T590-K592 WeakPolarHBondContact O-CE 3.47Å; T590-K592 WeakPolarHBondContact O-CG 3.46Å; T590-K592 PolarHBondContact O-N 2.72Å; K592-L617 HydrophobicContact CB-CB 4.25Å; K592-L617 PolarHBondContact O-N 3.18Å; K592-L617 VanDerWaalsContact O-N 3.14Å; K592-Y619 HydrophobicContact CB-CE2 4.12Å; K592-Y619 HydrophobicContact CD-CD2 3.95Å; K592-Y619 HydrophobicContact CD-CE2 3.3Å; K592-Y619 VanDerWaalsContact CE-CZ 3.49Å; K592-Y619 HydrophobicContact CG-CE2 3.51Å; K592-D707 PolarHBondContact NZ-O 3.4Å; K592-D707 IonicContact NZ-OD1 2.88Å; K592-D707 PolarHBondContact NZ-OD1 3.17Å; K592-D707 IonicContact NZ-OD2 3.83Å; K592-D707 PolarHBondContact NZ-OD2 3.48Å | ||
| 593 | L | 89 | Confident | 89.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.9 | -177.9 | -61.2 | 179.3 | 0 | 0 | 0 | 111 | N335 S547 L548 D591 I614 I615 T616 | N335-L593 HydrophobicContact CB-CD1 3.47Å; N335-L593 VanDerWaalsContact CB-CD1 3.47Å; N335-L593 VanDerWaalsContact ND2-CD1 3.3Å; N335-L593 WeakPolarHBondContact ND2-CD1 3.46Å; S547-L593 WeakPolarHBondContact CA-O 3.28Å; L548-L593 HydrophobicContact CB-CB 4.29Å; L548-L593 PolarHBondContact N-O 3.07Å; D591-L593 VanDerWaalsContact C-N 3.29Å; D591-L593 HydrophobicContact CB-CD1 4.05Å; D591-L593 HydrophobicContact CB-CG 4Å; D591-L593 WeakPolarHBondContact O-CG 3.49Å; D591-L593 PolarHBondContact O-N 2.93Å; L593-I614 HydrophobicContact CB-CG2 4.27Å; L593-I614 HydrophobicContact CD2-CG2 3.99Å; L593-I615 WeakPolarHBondContact CA-O 3.48Å; L593-T616 HydrophobicContact CD2-CG2 3.87Å; L593-T616 WeakPolarHBondContact CD2-OG1 3.03Å |
| 594 | I | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.4 | 173 | -65.5 | 167.3 | 0 | 0 | 0 | 108.1 | I523 A545 F558 Y584 L588 I596 I614 I615 | I523-I594 HydrophobicContact CD1-CD1 3.57Å; A545-I594 HydrophobicContact CB-CG2 4.24Å; F558-I594 HydrophobicContact CE1-CG1 4.34Å; F558-I594 HydrophobicContact CE1-CG2 4.27Å; F558-I594 HydrophobicContact CZ-CD1 4.02Å; F558-I594 HydrophobicContact CZ-CG1 4.05Å; F558-I594 HydrophobicContact CZ-CG2 3.7Å; Y584-I594 HydrophobicContact CD2-CD1 4.36Å; Y584-I594 HydrophobicContact CG-CD1 4.18Å; L588-I594 HydrophobicContact CD2-CD1 3.88Å; L588-I594 HydrophobicContact CD2-CG1 3.96Å; I594-I596 HydrophobicContact CG2-CG2 4.27Å; I594-I614 CarbonylContact O-C 3.58Å; I594-I614 WeakPolarHBondContact O-CA 3.33Å; I594-I615 HydrophobicContact CB-CB 4.39Å; I594-I615 PolarHBondContact N-O 2.74Å; I594-I615 PolarHBondContact O-N 2.96Å |
| 595 | R | 93 | Very high | 87.9 | Confident | 13 Ų | 13 | 32 Ų | 32 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.3 | 167.7 | -173.9 | 176.2 | -81.3 | -171.3 | 4.8 | 109.2 | E316 Y318 I324 A545 Q546 L548 N612 K613 I614 | E316-R595 IonicContact OE1-CZ 3.84Å; E316-R595 IonicContact OE1-NH1 3.29Å; E316-R595 PolarHBondContact OE1-NH1 3.03Å; E316-R595 IonicContact OE1-NH2 2.72Å; E316-R595 IonicContact OE2-NH1 2.65Å; E316-R595 PolarHBondContact OE2-NH1 3.21Å; Y318-R595 PolarHBondContact OH-NH1 3.38Å; I324-R595 VanDerWaalsContact CD1-CD 3.41Å; A545-R595 WeakPolarHBondContact CA-O 3.31Å; Q546-R595 PolarHBondContact N-O 3.36Å; Q546-R595 PolarHBondContact O-N 2.99Å; L548-R595 HydrophobicContact CD1-CB 3.81Å; L548-R595 HydrophobicContact CD2-CB 4.03Å; L548-R595 HydrophobicContact CG-CB 3.87Å; R595-N612 HydrophobicContact CG-CB 4.47Å; R595-K613 WeakPolarHBondContact CA-O 3.4Å; R595-I614 HydrophobicContact CB-CG1 4.43Å; R595-I614 HydrophobicContact CG-CG1 4.41Å |
| 596 | I | 95 | Very high | 87.2 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.4 | 165.6 | 57.4 | 169.7 | 0 | 0 | 0 | 109.3 | F511 F525 S544 A545 I579 I594 N612 K613 I615 | F511-I596 HydrophobicContact CB-CD1 3.9Å; F511-I596 HydrophobicContact CD1-CD1 3.67Å; F511-I596 HydrophobicContact CD2-CD1 3.77Å; F511-I596 HydrophobicContact CD2-CG1 3.92Å; F511-I596 HydrophobicContact CE1-CD1 4.05Å; F511-I596 HydrophobicContact CE2-CB 4.43Å; F511-I596 HydrophobicContact CE2-CD1 4.13Å; F511-I596 HydrophobicContact CE2-CG1 4.01Å; F511-I596 HydrophobicContact CG-CD1 3.51Å; F511-I596 HydrophobicContact CG-CG1 4.2Å; F511-I596 HydrophobicContact CZ-CB 4.46Å; F511-I596 HydrophobicContact CZ-CD1 4.24Å; F511-I596 HydrophobicContact CZ-CG1 4.37Å; F525-I596 HydrophobicContact CD2-CD1 3.8Å; F525-I596 HydrophobicContact CE2-CD1 3.7Å; F525-I596 HydrophobicContact CG-CD1 4.34Å; F525-I596 HydrophobicContact CZ-CD1 4.16Å; F525-I596 HydrophobicContact CZ-CG2 4.21Å; S544-I596 WeakPolarHBondContact O-CA 3.19Å; A545-I596 HydrophobicContact CB-CG2 3.97Å; I579-I596 HydrophobicContact CD1-CG2 4.28Å; I594-I596 HydrophobicContact CG2-CG2 4.27Å; I596-N612 CarbonylContact O-C 3.51Å; I596-N612 WeakPolarHBondContact O-CA 3.45Å; I596-N612 WeakPolarHBondContact O-CB 3.22Å; I596-K613 HydrophobicContact CD1-CB 4.24Å; I596-K613 HydrophobicContact CG1-CB 3.89Å; I596-K613 WeakPolarHBondContact CG1-O 3.31Å; I596-K613 PolarHBondContact N-O 2.65Å; I596-K613 PolarHBondContact O-N 3.35Å; I596-I615 HydrophobicContact CD1-CD1 4.02Å; I596-I615 HydrophobicContact CG1-CD1 4.24Å; I596-I615 HydrophobicContact CG2-CD1 4.05Å |
| 597 | S | 95.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.1 | 178.1 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | G322 L543 S544 V611 | G322-S597 WeakPolarHBondContact O-CB 3.33Å; G322-S597 PolarHBondContact O-OG 3.05Å; L543-S597 WeakPolarHBondContact CA-O 3.43Å; S544-S597 PolarHBondContact N-O 3.24Å; S544-S597 PolarHBondContact O-N 3.18Å; S544-S597 PolarHBondContact O-OG 3.25Å; S597-V611 CarbonylContact C-O 3.58Å; S597-V611 WeakPolarHBondContact CA-O 3.42Å |
| 598 | A | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | F511 L527 V541 N542 L543 L610 V611 | F511-A598 HydrophobicContact CE1-CB 4.27Å; F511-A598 HydrophobicContact CE2-CB 4.06Å; F511-A598 HydrophobicContact CZ-CB 3.48Å; F511-A598 VanDerWaalsContact CZ-CB 3.48Å; L527-A598 HydrophobicContact CD1-CB 4.12Å; V541-A598 HydrophobicContact CG1-CB 3.67Å; N542-A598 CarbonylContact O-C 3.58Å; N542-A598 WeakPolarHBondContact O-CA 3.47Å; L543-A598 HydrophobicContact CD2-CB 3.77Å; A598-L610 WeakPolarHBondContact O-CA 3.47Å; A598-V611 HydrophobicContact CB-CG1 3.67Å; A598-V611 PolarHBondContact N-O 2.85Å; A598-V611 PolarHBondContact O-N 2.98Å |
| 599 | L | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 104.7 | 170.5 | -175.7 | 69.9 | 0 | 0 | 0 | 108.8 | D319 L407 L416 V541 N542 K608 I609 | D319-L599 WeakPolarHBondContact O-CD2 3.24Å; L407-L599 HydrophobicContact CD1-CD2 3.88Å; L416-L599 HydrophobicContact CD1-CD1 4.26Å; L416-L599 HydrophobicContact CD2-CD1 4.38Å; V541-L599 WeakPolarHBondContact CA-O 3.45Å; N542-L599 PolarHBondContact N-O 2.87Å; N542-L599 PolarHBondContact O-N 3.01Å; L599-K608 HydrophobicContact CD1-CB 4.2Å; L599-I609 CarbonylContact C-O 3.59Å; L599-I609 WeakPolarHBondContact CA-O 3.25Å |
| 600 | G | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K540 K608 I609 | K540-G600 CarbonylContact O-C 3.6Å; G600-K608 WeakPolarHBondContact O-CA 3.47Å; G600-I609 PolarHBondContact N-O 2.75Å; G600-I609 PolarHBondContact O-N 3.25Å |
| 601 | E | 90.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.7 | 174.8 | -42.8 | -167.1 | 138.3 | 0 | 0 | 108.6 | L539 K540 K608 | L539-E601 WeakPolarHBondContact CA-O 3.47Å; K540-E601 PolarHBondContact N-O 3.46Å; K540-E601 PolarHBondContact O-N 2.87Å; E601-K608 HydrophobicContact CB-CD 4.09Å; E601-K608 HydrophobicContact CG-CD 3.7Å; E601-K608 VanDerWaalsContact CG-NZ 3.32Å; E601-K608 IonicContact OE1-NZ 3.21Å; E601-K608 PolarHBondContact OE1-NZ 2.74Å; E601-K608 IonicContact OE2-NZ 3.26Å; E601-K608 PolarHBondContact OE2-NZ 3.07Å |
| 602 | E | 88.1 | Confident | 88.5 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.2 | 172.8 | -168.5 | -162.4 | 146.8 | 0 | 0 | 109.6 | K537 L539 S604 S605 | K537-E602 HydrophobicContact CD-CG 4.06Å; K537-E602 WeakPolarHBondContact CD-OE1 3.41Å; K537-E602 WeakPolarHBondContact CD-OE2 3.3Å; K537-E602 IonicContact NZ-OE1 2.75Å; K537-E602 PolarHBondContact NZ-OE1 3.34Å; K537-E602 IonicContact NZ-OE2 2.7Å; K537-E602 PolarHBondContact NZ-OE2 2.95Å; L539-E602 HydrophobicContact CD2-CB 3.84Å; L539-E602 HydrophobicContact CD2-CG 4.15Å; E602-S604 PolarHBondContact O-N 2.88Å; E602-S604 PolarHBondContact OE1-OG 2.92Å; E602-S605 PolarHBondContact O-N 2.85Å |
| 603 | K | 84.1 | Confident | 88.8 | Confident | 149 Ų | 149 | 37.7 Ų | 37.7 | 65% | 0.648 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -32.3 | -177.7 | -71.7 | -172 | -172.1 | 159.6 | 0 | 114.1 | D538 | D538-K603 HydrophobicContact CB-CD 4.35Å; D538-K603 PolarHBondContact O-N 3.06Å; D538-K603 IonicContact OD1-NZ 2.8Å; D538-K603 VanDerWaalsContact OD2-CD 3.3Å; D538-K603 WeakPolarHBondContact OD2-CD 3.43Å; D538-K603 VanDerWaalsContact OD2-CE 3.27Å; D538-K603 WeakPolarHBondContact OD2-CE 3.38Å; D538-K603 IonicContact OD2-NZ 2.71Å; D538-K603 PolarHBondContact OD2-NZ 3.09Å |
| 604 | S | 78.7 | Confident | 88.9 | Confident | 90 Ų | 90 | 38.4 Ų | 38.4 | 63% | 0.629 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.3 | -177.4 | 27.4 | 0 | 0 | 0 | 0 | 114.3 | E602 | E602-S604 PolarHBondContact O-N 2.88Å; E602-S604 PolarHBondContact OE1-OG 2.92Å |
| 605 | S | 80.4 | Confident | 88.8 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | trans | -130.1 | 139.6 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | E602 E607 | E602-S605 PolarHBondContact O-N 2.85Å; S605-E607 PolarHBondContact O-N 2.9Å; S605-E607 WeakPolarHBondContact OG-CB 3.46Å; S605-E607 PolarHBondContact OG-N 3.5Å; S605-E607 VanDerWaalsContact OG-N 3.16Å | ||
| 606 | P | 76.3 | Confident | 88.6 | Confident | 109 Ų | 109 | 38.5 Ų | 38.5 | 71% | 0.708 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -70.6 | -11 | 169.7 | 31.5 | -35.6 | 0 | 0 | 0 | 112.7 | ||
| 607 | E | 78.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | trans | -69.7 | 142.8 | -179.9 | -65.9 | -178.5 | 175.2 | 0 | 0 | 112.1 | S605 | S605-E607 PolarHBondContact O-N 2.9Å; S605-E607 WeakPolarHBondContact OG-CB 3.46Å; S605-E607 PolarHBondContact OG-N 3.5Å; S605-E607 VanDerWaalsContact OG-N 3.16Å | ||
| 608 | K | 86.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.8 | 179.4 | -58.4 | -71.4 | 176.5 | 177.1 | 0 | 107.8 | L407 L416 L599 G600 E601 | L407-K608 HydrophobicContact CD2-CG 4.15Å; L416-K608 HydrophobicContact CD2-CB 3.49Å; L416-K608 VanDerWaalsContact CD2-CB 3.49Å; L416-K608 HydrophobicContact CD2-CG 4.22Å; L599-K608 HydrophobicContact CD1-CB 4.2Å; G600-K608 WeakPolarHBondContact O-CA 3.47Å; E601-K608 HydrophobicContact CB-CD 4.09Å; E601-K608 HydrophobicContact CG-CD 3.7Å; E601-K608 VanDerWaalsContact CG-NZ 3.32Å; E601-K608 IonicContact OE1-NZ 3.21Å; E601-K608 PolarHBondContact OE1-NZ 2.74Å; E601-K608 IonicContact OE2-NZ 3.26Å; E601-K608 PolarHBondContact OE2-NZ 3.07Å |
| 609 | I | 89.6 | Confident | 87.1 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.4 | -177.4 | -57 | 164.6 | 0 | 0 | 0 | 107.5 | V507 L509 L599 G600 | V507-I609 HydrophobicContact CB-CD1 3.6Å; V507-I609 HydrophobicContact CG1-CD1 3.87Å; L509-I609 HydrophobicContact CB-CG2 4.39Å; L509-I609 HydrophobicContact CD1-CB 4.27Å; L509-I609 HydrophobicContact CD1-CG2 3.96Å; L509-I609 HydrophobicContact CG-CG2 4.05Å; L599-I609 CarbonylContact C-O 3.59Å; L599-I609 WeakPolarHBondContact CA-O 3.25Å; G600-I609 PolarHBondContact N-O 2.75Å; G600-I609 PolarHBondContact O-N 3.25Å |
| 610 | L | 90.7 | Very high | 86.5 | Confident | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.8 | 175.1 | 179.9 | 66.3 | 0 | 0 | 0 | 109.4 | Y318 L416 A598 | Y318-L610 HydrophobicContact CD1-CD1 4.01Å; Y318-L610 HydrophobicContact CD1-CD2 4.22Å; Y318-L610 HydrophobicContact CD2-CD2 3.77Å; Y318-L610 HydrophobicContact CE1-CD1 4.02Å; Y318-L610 HydrophobicContact CE1-CD2 3.99Å; Y318-L610 HydrophobicContact CE2-CD2 3.56Å; Y318-L610 HydrophobicContact CG-CD1 4.48Å; Y318-L610 HydrophobicContact CG-CD2 4.13Å; L416-L610 HydrophobicContact CD1-CB 4.3Å; L416-L610 HydrophobicContact CD1-CD2 4.06Å; A598-L610 WeakPolarHBondContact O-CA 3.47Å |
| 611 | V | 91.9 | Very high | 86.1 | Confident | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.158 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | 164 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | L509 F511 L527 S597 A598 | L509-V611 HydrophobicContact CB-CB 4.21Å; L509-V611 HydrophobicContact CB-CG1 3.62Å; L509-V611 HydrophobicContact CD1-CG1 4.48Å; F511-V611 HydrophobicContact CD2-CG1 4.22Å; F511-V611 HydrophobicContact CD2-CG2 4.32Å; F511-V611 HydrophobicContact CE2-CG1 3.9Å; F511-V611 HydrophobicContact CZ-CG1 4.43Å; L527-V611 HydrophobicContact CD1-CG1 4.25Å; S597-V611 CarbonylContact C-O 3.58Å; S597-V611 WeakPolarHBondContact CA-O 3.42Å; A598-V611 HydrophobicContact CB-CG1 3.67Å; A598-V611 PolarHBondContact N-O 2.85Å; A598-V611 PolarHBondContact O-N 2.98Å |
| 612 | N | 91.4 | Very high | 86.2 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162.2 | 174.4 | 68.7 | 66.5 | 0 | 0 | 0 | 111 | R595 I596 | R595-N612 HydrophobicContact CG-CB 4.47Å; I596-N612 CarbonylContact O-C 3.51Å; I596-N612 WeakPolarHBondContact O-CA 3.45Å; I596-N612 WeakPolarHBondContact O-CB 3.22Å |
| 613 | K | 90.3 | Very high | 86.6 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 137.4 | 173.2 | -174.3 | 176.3 | -178.4 | 71.4 | 0 | 109.5 | F511 R595 I596 | F511-K613 HydrophobicContact CB-CB 4.12Å; F511-K613 HydrophobicContact CB-CD 3.94Å; F511-K613 HydrophobicContact CD2-CB 4Å; F511-K613 HydrophobicContact CG-CB 4.47Å; R595-K613 WeakPolarHBondContact CA-O 3.4Å; I596-K613 HydrophobicContact CD1-CB 4.24Å; I596-K613 HydrophobicContact CG1-CB 3.89Å; I596-K613 WeakPolarHBondContact CG1-O 3.31Å; I596-K613 PolarHBondContact N-O 2.65Å; I596-K613 PolarHBondContact O-N 3.35Å |
| 614 | I | 90.3 | Very high | 87.3 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.2 | 169.6 | -60.6 | 172 | 0 | 0 | 0 | 108.7 | L548 L593 I594 R595 | L548-I614 HydrophobicContact CD1-CD1 4.07Å; L548-I614 HydrophobicContact CD1-CG1 4.2Å; L593-I614 HydrophobicContact CB-CG2 4.27Å; L593-I614 HydrophobicContact CD2-CG2 3.99Å; I594-I614 CarbonylContact O-C 3.58Å; I594-I614 WeakPolarHBondContact O-CA 3.33Å; R595-I614 HydrophobicContact CB-CG1 4.43Å; R595-I614 HydrophobicContact CG-CG1 4.41Å |
| 615 | I | 90.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.8 | 175.4 | -57.2 | 175.1 | 0 | 0 | 0 | 107.1 | L513 P517 I523 L593 I594 I596 | L513-I615 HydrophobicContact CD2-CD1 3.8Å; L513-I615 HydrophobicContact CD2-CG1 4.16Å; P517-I615 HydrophobicContact CB-CG2 3.58Å; P517-I615 HydrophobicContact CG-CG2 3.73Å; I523-I615 HydrophobicContact CG2-CD1 3.93Å; L593-I615 WeakPolarHBondContact CA-O 3.48Å; I594-I615 HydrophobicContact CB-CB 4.39Å; I594-I615 PolarHBondContact N-O 2.74Å; I594-I615 PolarHBondContact O-N 2.96Å; I596-I615 HydrophobicContact CD1-CD1 4.02Å; I596-I615 HydrophobicContact CG1-CD1 4.24Å; I596-I615 HydrophobicContact CG2-CD1 4.05Å |
| 616 | T | 89 | Confident | 89 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.3 | 174.1 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | S172 W175 P517 L593 | S172-T616 PolarHBondContact OG-OG1 3.49Å; W175-T616 HydrophobicContact CB-CG2 4.43Å; W175-T616 HydrophobicContact CG-CG2 4.49Å; P517-T616 VanDerWaalsContact CG-O 3.31Å; P517-T616 WeakPolarHBondContact CG-O 3.36Å; L593-T616 HydrophobicContact CD2-CG2 3.87Å; L593-T616 WeakPolarHBondContact CD2-OG1 3.03Å |
| 617 | L | 88.6 | Confident | 90 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -75.5 | 136.4 | -180 | -61.2 | -178.7 | 0 | 0 | 0 | 112.2 | P517 M519 I523 Y584 L588 K592 Y619 | P517-L617 HydrophobicContact CB-CD2 4Å; P517-L617 CarbonylContact O-C 3.6Å; P517-L617 VanDerWaalsContact O-CA 3.32Å; P517-L617 WeakPolarHBondContact O-CA 3.49Å; M519-L617 HydrophobicContact SD-CD1 3.76Å; I523-L617 HydrophobicContact CD1-CD2 3.99Å; I523-L617 HydrophobicContact CG1-CD2 4.4Å; Y584-L617 HydrophobicContact CD2-CD1 4.3Å; Y584-L617 HydrophobicContact CE2-CD1 3.75Å; L588-L617 HydrophobicContact CD1-CD1 3.57Å; L588-L617 HydrophobicContact CD2-CD1 3.61Å; L588-L617 HydrophobicContact CG-CD1 4.25Å; K592-L617 HydrophobicContact CB-CB 4.25Å; K592-L617 PolarHBondContact O-N 3.18Å; K592-L617 VanDerWaalsContact O-N 3.14Å; L617-Y619 HydrophobicContact CB-CE2 4.3Å | ||
| 618 | S | 84.4 | Confident | 90.7 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -86 | 143.6 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | P517 M519 | P517-S618 PolarHBondContact O-N 2.72Å; M519-S618 WeakPolarHBondContact CB-O 3.08Å; M519-S618 PolarHBondContact N-O 3.42Å |
| 619 | Y | 81.8 | Confident | 91.1 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | trans | -122.2 | 153.2 | 178.6 | -80.2 | -101.1 | 0 | 0 | 0 | 110.6 | M519 K592 L617 F705 I708 | M519-Y619 HydrophobicContact CB-CD1 4.18Å; M519-Y619 HydrophobicContact CB-CD2 4.23Å; M519-Y619 HydrophobicContact CB-CE1 3.95Å; M519-Y619 HydrophobicContact CB-CE2 3.95Å; M519-Y619 HydrophobicContact CB-CG 4.33Å; M519-Y619 WeakPolarHBondContact CE-OH 3.43Å; M519-Y619 HydrophobicContact CG-CD1 4.21Å; M519-Y619 HydrophobicContact CG-CE1 3.56Å; M519-Y619 HydrophobicContact CG-CE2 4.15Å; M519-Y619 HydrophobicContact SD-CE1 4.46Å; M519-Y619 PolarHBondContact SD-OH 3.3Å; K592-Y619 HydrophobicContact CB-CE2 4.12Å; K592-Y619 HydrophobicContact CD-CD2 3.95Å; K592-Y619 HydrophobicContact CD-CE2 3.3Å; K592-Y619 VanDerWaalsContact CE-CZ 3.49Å; K592-Y619 HydrophobicContact CG-CE2 3.51Å; L617-Y619 HydrophobicContact CB-CE2 4.3Å; Y619-F705 HydrophobicContact CE1-CB 3.78Å; Y619-F705 HydrophobicContact CE1-CG 4.39Å; Y619-I708 HydrophobicContact CD1-CD1 3.71Å; Y619-I708 HydrophobicContact CD1-CG1 3.94Å; Y619-I708 HydrophobicContact CE1-CD1 4.41Å | ||
| 620 | P | 81.2 | Confident | 91.5 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 139.1 | 168.4 | 27.9 | -33.4 | 0 | 0 | 0 | 109.8 | F642 S643 P645 I708 | P620-F642 HydrophobicContact CG-CE2 3.98Å; P620-F642 HydrophobicContact CG-CZ 4.41Å; P620-S643 WeakPolarHBondContact CG-O 3.43Å; P620-P645 HydrophobicContact CG-CB 3.72Å; P620-P645 HydrophobicContact CG-CG 3.65Å; P620-I708 WeakPolarHBondContact O-CG2 3.43Å |
| 621 | S | 83.6 | Confident | 91.8 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 58% | 0.58 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -77.2 | 156.3 | 176.4 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 622 | I | 94.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 127 | 164.7 | -61.6 | 173.4 | 0 | 0 | 0 | 107.8 | I624 V640 F642 L655 A698 M700 I708 | I622-I624 HydrophobicContact CG2-CG1 4.09Å; I622-V640 HydrophobicContact CG2-CG1 3.43Å; I622-V640 VanDerWaalsContact CG2-CG1 3.43Å; I622-F642 HydrophobicContact CG1-CD2 4.07Å; I622-L655 HydrophobicContact CD1-CD1 4.41Å; I622-A698 HydrophobicContact CD1-CB 4.05Å; I622-A698 HydrophobicContact CG2-CB 3.99Å; I622-M700 HydrophobicContact CD1-CB 3.88Å; I622-I708 HydrophobicContact CD1-CG2 4.47Å; I622-I708 WeakPolarHBondContact CD1-O 3.25Å; I622-I708 HydrophobicContact CG1-CG2 4.09Å |
| 623 | T | 96.4 | Very high | 92.3 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.7 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | V640 I641 | T623-V640 WeakPolarHBondContact O-CA 3.28Å; T623-I641 PolarHBondContact N-O 2.84Å; T623-I641 PolarHBondContact O-N 3.27Å |
| 624 | I | 98 | Very high | 92.6 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.1 | 179.3 | -54.7 | 174 | 0 | 0 | 0 | 108.4 | I622 I638 Q639 V640 I696 A698 R712 | I622-I624 HydrophobicContact CG2-CG1 4.09Å; I624-I638 HydrophobicContact CG2-CG2 3.57Å; I624-Q639 CarbonylContact C-O 3.53Å; I624-Q639 WeakPolarHBondContact CA-O 3.32Å; I624-V640 HydrophobicContact CG1-CG1 4.41Å; I624-V640 HydrophobicContact CG1-CG2 4.45Å; I624-I696 HydrophobicContact CD1-CG2 4.04Å; I624-I696 HydrophobicContact CG2-CB 4.43Å; I624-I696 HydrophobicContact CG2-CD1 4.2Å; I624-I696 HydrophobicContact CG2-CG2 4.11Å; I624-A698 HydrophobicContact CD1-CB 3.78Å; I624-A698 HydrophobicContact CG1-CB 4.49Å; I624-R712 HydrophobicContact CB-CB 3.8Å; I624-R712 HydrophobicContact CG2-CB 3.9Å |
| 625 | N | 97.9 | Very high | 92.9 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.7 | 176.7 | -60.8 | -36.2 | 0 | 0 | 0 | 109.6 | L627 I638 Q639 | N625-L627 HydrophobicContact CB-CD2 4.14Å; N625-I638 CarbonylContact O-C 3.57Å; N625-I638 WeakPolarHBondContact O-CA 3.4Å; N625-Q639 HydrophobicContact CB-CB 4.24Å; N625-Q639 PolarHBondContact N-O 3Å; N625-Q639 PolarHBondContact ND2-OE1 3.11Å; N625-Q639 PolarHBondContact O-N 2.92Å |
| 626 | V | 97.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.7 | 173 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | G628 L636 I696 R712 V714 | V626-G628 VanDerWaalsContact C-N 3.34Å; V626-G628 PolarHBondContact O-N 3.06Å; V626-L636 HydrophobicContact CG1-CD1 3.56Å; V626-L636 HydrophobicContact CG1-CD2 4.08Å; V626-L636 HydrophobicContact CG1-CG 4.12Å; V626-I696 HydrophobicContact CG2-CD1 3.92Å; V626-R712 HydrophobicContact CG2-CG 4.28Å; V626-V714 HydrophobicContact CG2-CG2 3.59Å |
| 627 | L | 96.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 44% | 0.44 | 29% | 0.294 | S | S | . | . | trans | -97.3 | 36.1 | -168.7 | -56.1 | -175 | 0 | 0 | 0 | 113 | N625 S637 Q639 I683 | N625-L627 HydrophobicContact CB-CD2 4.14Å; L627-S637 WeakPolarHBondContact CB-O 3.37Å; L627-S637 PolarHBondContact N-O 2.97Å; L627-Q639 HydrophobicContact CD1-CB 3.9Å; L627-Q639 HydrophobicContact CD2-CB 4.2Å; L627-Q639 HydrophobicContact CG-CB 4.11Å; L627-I683 HydrophobicContact CD1-CD1 4.45Å | ||
| 628 | G | 94.1 | Very high | 94.1 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 170.4 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V626 | V626-G628 VanDerWaalsContact C-N 3.34Å; V626-G628 PolarHBondContact O-N 3.06Å |
| 629 | A | 95.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 60% | 0.603 | 29% | 0.291 | S | S | * | . | trans | -70.2 | 133.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I631 | A629-I631 HydrophobicContact CB-CD1 4.23Å; A629-I631 HydrophobicContact CB-CG1 4.26Å | ||
| 630 | A | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | trans | -87.8 | 112.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L636 V714 V716 D717 | A630-L636 HydrophobicContact CB-CD1 4.21Å; A630-L636 HydrophobicContact CB-CD2 3.78Å; A630-V714 HydrophobicContact CB-CG1 3.53Å; A630-V716 HydrophobicContact CB-CB 4.45Å; A630-V716 HydrophobicContact CB-CG1 4.46Å; A630-V716 HydrophobicContact CB-CG2 4.09Å; A630-V716 CarbonylContact O-C 3.57Å; A630-V716 WeakPolarHBondContact O-CA 3.24Å; A630-D717 PolarHBondContact O-N 3.39Å | ||
| 631 | I | 97.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 137.1 | -178.1 | -57.9 | 172.5 | 0 | 0 | 0 | 108.4 | A629 N633 Q634 D717 A719 | A629-I631 HydrophobicContact CB-CD1 4.23Å; A629-I631 HydrophobicContact CB-CG1 4.26Å; I631-N633 PolarHBondContact O-N 3.25Å; I631-Q634 HydrophobicContact CB-CB 4.17Å; I631-Q634 HydrophobicContact CB-CG 4.12Å; I631-Q634 HydrophobicContact CG2-CG 4.01Å; I631-Q634 PolarHBondContact O-N 2.77Å; I631-Q634 VanDerWaalsContact O-N 3.14Å; I631-D717 WeakPolarHBondContact CA-O 3.45Å; I631-A719 HydrophobicContact CG2-CB 3.87Å |
| 632 | V | 97.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.8 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | Q634 V716 D717 | V632-Q634 PolarHBondContact O-N 2.91Å; V632-V716 HydrophobicContact CG2-CG1 3.79Å; V632-D717 WeakPolarHBondContact CG2-O 3.38Å; V632-D717 PolarHBondContact N-O 3.02Å |
| 633 | N | 96.3 | Very high | 96.6 | Very high | 122 Ų | 122 | 43 Ų | 43 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17.3 | -179.5 | -58.2 | -36.5 | 0 | 0 | 0 | 115.5 | I631 P688 | I631-N633 PolarHBondContact O-N 3.25Å; N633-P688 PolarHBondContact N-O 3.12Å |
| 634 | Q | 96.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -112.7 | 149.5 | 172.2 | -60.8 | -168 | 10.5 | 0 | 0 | 112 | I631 V632 P688 | I631-Q634 HydrophobicContact CB-CB 4.17Å; I631-Q634 HydrophobicContact CB-CG 4.12Å; I631-Q634 HydrophobicContact CG2-CG 4.01Å; I631-Q634 PolarHBondContact O-N 2.77Å; I631-Q634 VanDerWaalsContact O-N 3.14Å; V632-Q634 PolarHBondContact O-N 2.91Å; Q634-P688 VanDerWaalsContact O-CD 3.27Å; Q634-P688 WeakPolarHBondContact O-CD 3.31Å |
| 635 | P | 97.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 69% | 0.688 | 25% | 0.25 | S | C | * | . | trans | -60.8 | 136.6 | 174.9 | -23.2 | 34.2 | 0 | 0 | 0 | 112.8 | T686 | P635-T686 CarbonylContact C-O 3.55Š| ||
| 636 | L | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123 | 176.9 | -177.3 | 63.4 | 0 | 0 | 0 | 109.9 | V626 A630 I638 E685 T686 P688 | V626-L636 HydrophobicContact CG1-CD1 3.56Å; V626-L636 HydrophobicContact CG1-CD2 4.08Å; V626-L636 HydrophobicContact CG1-CG 4.12Å; A630-L636 HydrophobicContact CB-CD1 4.21Å; A630-L636 HydrophobicContact CB-CD2 3.78Å; L636-I638 HydrophobicContact CD2-CD1 4.38Å; L636-I638 HydrophobicContact CD2-CG1 4.37Å; L636-I638 HydrophobicContact CG-CG1 4.28Å; L636-E685 WeakPolarHBondContact O-CA 3.37Å; L636-T686 HydrophobicContact CB-CG2 4.19Å; L636-T686 HydrophobicContact CD2-CG2 4.45Å; L636-T686 PolarHBondContact N-O 2.91Å; L636-T686 PolarHBondContact O-N 2.9Å; L636-P688 HydrophobicContact CB-CG 4.18Å; L636-P688 HydrophobicContact CD2-CG 3.95Å |
| 637 | S | 97.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.8 | 172.4 | -74 | 0 | 0 | 0 | 0 | 111.1 | L627 L684 | L627-S637 WeakPolarHBondContact CB-O 3.37Å; L627-S637 PolarHBondContact N-O 2.97Å; S637-L684 CarbonylContact C-O 3.58Å; S637-L684 WeakPolarHBondContact CA-O 3.32Å |
| 638 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.5 | -179.7 | -61.3 | 160 | 0 | 0 | 0 | 108.2 | I624 N625 L636 V640 F663 I683 L684 T686 I696 | I624-I638 HydrophobicContact CG2-CG2 3.57Å; N625-I638 CarbonylContact O-C 3.57Å; N625-I638 WeakPolarHBondContact O-CA 3.4Å; L636-I638 HydrophobicContact CD2-CD1 4.38Å; L636-I638 HydrophobicContact CD2-CG1 4.37Å; L636-I638 HydrophobicContact CG-CG1 4.28Å; I638-V640 HydrophobicContact CG2-CG2 4.23Å; I638-F663 HydrophobicContact CD1-CE2 4.07Å; I638-F663 HydrophobicContact CD1-CZ 3.57Å; I638-I683 CarbonylContact O-C 3.09Å; I638-I683 WeakPolarHBondContact O-CA 3.28Å; I638-L684 PolarHBondContact N-O 2.77Å; I638-L684 PolarHBondContact O-N 2.67Å; I638-T686 HydrophobicContact CD1-CG2 3.77Å; I638-I696 HydrophobicContact CD1-CD1 3.57Å; I638-I696 HydrophobicContact CD1-CG1 4.27Å; I638-I696 HydrophobicContact CG1-CD1 3.89Å; I638-I696 HydrophobicContact CG2-CD1 4.07Å |
| 639 | Q | 98 | Very high | 95.2 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.5 | 173.6 | 177.2 | -171.4 | 54.6 | 0 | 0 | 110.2 | I624 N625 L627 I641 S681 I682 | I624-Q639 CarbonylContact C-O 3.53Å; I624-Q639 WeakPolarHBondContact CA-O 3.32Å; N625-Q639 HydrophobicContact CB-CB 4.24Å; N625-Q639 PolarHBondContact N-O 3Å; N625-Q639 PolarHBondContact ND2-OE1 3.11Å; N625-Q639 PolarHBondContact O-N 2.92Å; L627-Q639 HydrophobicContact CD1-CB 3.9Å; L627-Q639 HydrophobicContact CD2-CB 4.2Å; L627-Q639 HydrophobicContact CG-CB 4.11Å; Q639-I641 HydrophobicContact CG-CD1 4.27Å; Q639-I641 HydrophobicContact CG-CG1 3.93Å; Q639-S681 PolarHBondContact NE2-OG 2.94Å; Q639-I682 CarbonylContact C-O 3.59Å; Q639-I682 VanDerWaalsContact CA-O 3.29Å; Q639-I682 WeakPolarHBondContact CA-O 3.34Å |
| 640 | V | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.1 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | I622 T623 I624 I638 L655 V657 S681 I682 L684 | I622-V640 HydrophobicContact CG2-CG1 3.43Å; I622-V640 VanDerWaalsContact CG2-CG1 3.43Å; T623-V640 WeakPolarHBondContact O-CA 3.28Å; I624-V640 HydrophobicContact CG1-CG1 4.41Å; I624-V640 HydrophobicContact CG1-CG2 4.45Å; I638-V640 HydrophobicContact CG2-CG2 4.23Å; V640-L655 HydrophobicContact CB-CD2 3.92Å; V640-L655 HydrophobicContact CG1-CD1 3.97Å; V640-L655 HydrophobicContact CG1-CD2 3.74Å; V640-L655 HydrophobicContact CG2-CD2 4.36Å; V640-V657 HydrophobicContact CG2-CG2 4.3Å; V640-S681 WeakPolarHBondContact O-CA 3.3Å; V640-I682 PolarHBondContact N-O 2.87Å; V640-I682 PolarHBondContact O-N 2.89Å; V640-L684 HydrophobicContact CG2-CD1 4.39Å |
| 641 | I | 96.1 | Very high | 95 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.7 | -174.8 | -50.5 | 176 | 0 | 0 | 0 | 109.6 | T623 Q639 Q679 A680 | T623-I641 PolarHBondContact N-O 2.84Å; T623-I641 PolarHBondContact O-N 3.27Å; Q639-I641 HydrophobicContact CG-CD1 4.27Å; Q639-I641 HydrophobicContact CG-CG1 3.93Å; I641-Q679 VanDerWaalsContact CG2-CD 3.42Å; I641-Q679 HydrophobicContact CG2-CG 3.5Å; I641-Q679 VanDerWaalsContact CG2-CG 3.5Å; I641-A680 WeakPolarHBondContact CA-O 3.41Å |
| 642 | F | 94.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.5 | 175.5 | 173.7 | -101.4 | 0 | 0 | 0 | 110.6 | P620 I622 L674 Q679 A680 M700 F705 I708 | P620-F642 HydrophobicContact CG-CE2 3.98Å; P620-F642 HydrophobicContact CG-CZ 4.41Å; I622-F642 HydrophobicContact CG1-CD2 4.07Å; F642-L674 HydrophobicContact CD1-CD1 3.77Å; F642-L674 HydrophobicContact CE1-CD1 3.89Å; F642-Q679 CarbonylContact O-C 3.46Å; F642-Q679 WeakPolarHBondContact O-CA 3.37Å; F642-A680 PolarHBondContact N-O 3.37Å; F642-A680 PolarHBondContact O-N 2.85Å; F642-M700 HydrophobicContact CB-CE 3.8Å; F642-M700 HydrophobicContact CD1-CE 3.82Å; F642-M700 HydrophobicContact CD1-CG 4.2Å; F642-M700 HydrophobicContact CE1-CG 4.25Å; F642-M700 HydrophobicContact CG-CE 3.88Å; F642-M700 HydrophobicContact CG-CG 4.45Å; F642-F705 HydrophobicContact CE1-CE2 4.1Å; F642-F705 AromaticContact CE1-CZ 3.63Å; F642-F705 HydrophobicContact CE1-CZ 3.63Å; F642-F705 HydrophobicContact CZ-CE1 4.23Å; F642-F705 AromaticContact CZ-CE2 3.87Å; F642-F705 HydrophobicContact CZ-CE2 3.87Å; F642-F705 AromaticContact CZ-CZ 3.53Å; F642-F705 HydrophobicContact CZ-CZ 3.53Å; F642-I708 HydrophobicContact CE2-CB 4.45Å; F642-I708 HydrophobicContact CE2-CD1 3.35Å; F642-I708 HydrophobicContact CE2-CG1 4.47Å; F642-I708 HydrophobicContact CE2-CG2 4.08Å; F642-I708 HydrophobicContact CZ-CD1 3.45Å; F642-I708 VanDerWaalsContact CZ-CD1 3.45Å |
| 643 | S | 92.1 | Very high | 94.8 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.5 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | P620 P645 H678 Q679 | P620-S643 WeakPolarHBondContact CG-O 3.43Å; S643-P645 VanDerWaalsContact O-CD 3.28Å; S643-P645 WeakPolarHBondContact O-CD 3.45Å; S643-H678 WeakPolarHBondContact CA-O 3.21Å; S643-Q679 PolarHBondContact OG-NE2 3.47Å |
| 644 | N | 93.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -65.9 | 114 | 170.9 | 174 | 13.4 | 0 | 0 | 0 | 109.6 | L646 E648 V650 L674 K675 Q677 H678 | N644-L646 PolarHBondContact O-N 2.92Å; N644-L646 WeakPolarHBondContact OD1-CB 3.07Å; N644-L646 PolarHBondContact OD1-N 3.42Å; N644-E648 PolarHBondContact ND2-O 3.21Å; N644-V650 VanDerWaalsContact OD1-CG2 3.28Å; N644-V650 WeakPolarHBondContact OD1-CG2 3.36Å; N644-L674 HydrophobicContact CB-CB 4.23Å; N644-L674 PolarHBondContact ND2-O 2.99Å; N644-K675 PolarHBondContact ND2-O 2.9Å; N644-Q677 VanDerWaalsContact O-CA 3.23Å; N644-Q677 WeakPolarHBondContact O-CA 3.38Å; N644-Q677 PolarHBondContact O-N 2.84Å; N644-H678 PolarHBondContact N-O 3.41Å | ||
| 645 | P | 89.1 | Confident | 94.7 | Very high | 27 Ų | 27 | 35 Ų | 35 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | trans | -76.7 | -12.8 | -178.4 | 31.6 | -33.5 | 0 | 0 | 0 | 113.3 | P620 S643 Q677 | P620-P645 HydrophobicContact CG-CB 3.72Å; P620-P645 HydrophobicContact CG-CG 3.65Å; S643-P645 VanDerWaalsContact O-CD 3.28Å; S643-P645 WeakPolarHBondContact O-CD 3.45Å; P645-Q677 PolarHBondContact O-NE2 2.94Å | ||
| 646 | L | 91.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -85.6 | 152.4 | -170.9 | -52.9 | -177.6 | 0 | 0 | 0 | 111.5 | M519 Y581 N644 E648 V650 P676 Q677 K704 | M519-L646 HydrophobicContact CE-CD2 4.43Å; M519-L646 HydrophobicContact CG-CD2 4.05Å; Y581-L646 HydrophobicContact CE2-CD2 4.18Å; N644-L646 PolarHBondContact O-N 2.92Å; N644-L646 WeakPolarHBondContact OD1-CB 3.07Å; N644-L646 PolarHBondContact OD1-N 3.42Å; L646-E648 HydrophobicContact CB-CG 4.02Å; L646-E648 HydrophobicContact CD1-CG 4.18Å; L646-E648 PolarHBondContact O-N 2.87Å; L646-V650 HydrophobicContact CD1-CG2 3.85Å; L646-V650 HydrophobicContact CG-CG2 4.44Å; L646-P676 WeakPolarHBondContact O-CA 3.44Å; L646-Q677 PolarHBondContact O-N 2.76Å; L646-Q677 PolarHBondContact O-NE2 2.98Å; L646-K704 HydrophobicContact CD1-CB 3.87Å; L646-K704 HydrophobicContact CD1-CG 4.02Å |
| 647 | S | 90.8 | Very high | 94.7 | Very high | 99 Ų | 99 | 30.3 Ų | 30.3 | 69% | 0.692 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -79.3 | 3.5 | 169.4 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 648 | E | 91.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -121.7 | 164.2 | 175.1 | 62.1 | 173.4 | 145.8 | 0 | 0 | 111.3 | Y581 N644 L646 K704 | Y581-E648 WeakPolarHBondContact CE1-OE1 3.27Å; Y581-E648 PolarHBondContact OH-OE1 3.11Å; Y581-E648 VanDerWaalsContact OH-OE1 3.13Å; N644-E648 PolarHBondContact ND2-O 3.21Å; L646-E648 HydrophobicContact CB-CG 4.02Å; L646-E648 HydrophobicContact CD1-CG 4.18Å; L646-E648 PolarHBondContact O-N 2.87Å; E648-K704 IonicContact OE1-NZ 2.81Å; E648-K704 PolarHBondContact OE1-NZ 3.45Å; E648-K704 WeakPolarHBondContact OE2-CE 3.31Å; E648-K704 IonicContact OE2-NZ 3.16Å; E648-K704 PolarHBondContact OE2-NZ 2.67Å |
| 649 | Q | 94.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 29 Ų | 29 | 46% | 0.458 | 16% | 0.159 | S | C | . | . | trans | -71.4 | 150.9 | 177.4 | 75.3 | -174.5 | 21 | 0 | 0 | 111.2 | E651 V673 L674 | Q649-E651 PolarHBondContact NE2-OE1 2.77Å; Q649-V673 HydrophobicContact CB-CG1 4.37Å; Q649-L674 WeakPolarHBondContact CA-O 3.48Å | ||
| 650 | V | 93.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.9 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | N644 L646 V673 L674 S702 K704 F705 | N644-V650 VanDerWaalsContact OD1-CG2 3.28Å; N644-V650 WeakPolarHBondContact OD1-CG2 3.36Å; L646-V650 HydrophobicContact CD1-CG2 3.85Å; L646-V650 HydrophobicContact CG-CG2 4.44Å; V650-V673 CarbonylContact O-C 3.56Å; V650-V673 WeakPolarHBondContact O-CA 3.45Å; V650-L674 PolarHBondContact N-O 3.4Å; V650-L674 PolarHBondContact O-N 3.12Å; V650-S702 WeakPolarHBondContact CG1-OG 3.41Å; V650-K704 HydrophobicContact CG1-CB 4.37Å; V650-K704 HydrophobicContact CG2-CB 4.36Å; V650-K704 HydrophobicContact CG2-CG 4.28Å; V650-F705 HydrophobicContact CB-CE1 4.37Å; V650-F705 HydrophobicContact CG1-CE1 3.72Å; V650-F705 HydrophobicContact CG1-CZ 3.69Å; V650-F705 HydrophobicContact CG2-CE1 3.89Å; V650-F705 HydrophobicContact CG2-CZ 4.46Å |
| 651 | E | 94.9 | Very high | 94.5 | Very high | 73 Ų | 73 | 27 Ų | 27 | 34% | 0.341 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 170.1 | -173.2 | -56.9 | 175 | -167.9 | 0 | 0 | 110.7 | Q649 C653 G672 V673 S702 N703 | Q649-E651 PolarHBondContact NE2-OE1 2.77Å; E651-C653 PolarHBondContact O-N 2.89Å; E651-C653 VanDerWaalsContact O-N 3.15Å; E651-G672 CarbonylContact C-O 3.54Å; E651-V673 HydrophobicContact CG-CG1 4.36Å; E651-V673 HydrophobicContact CG-CG2 4.15Å; E651-S702 WeakPolarHBondContact O-CB 3.43Å; E651-N703 PolarHBondContact N-OD1 3.48Å; E651-N703 PolarHBondContact O-N 2.59Å; E651-N703 PolarHBondContact O-OD1 2.88Å |
| 652 | D | 94.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 25.9 Ų | 25.9 | 52% | 0.519 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 33.3 | -179.6 | -54.8 | -40.7 | 0 | 0 | 0 | 113.7 | V654 G672 | D652-V654 PolarHBondContact O-N 3.21Å; D652-G672 PolarHBondContact N-O 3.2Å |
| 653 | C | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 117.8 | -178.9 | -64 | 0 | 0 | 0 | 0 | 110.1 | E651 L671 G672 L674 M700 R701 | E651-C653 PolarHBondContact O-N 2.89Å; E651-C653 VanDerWaalsContact O-N 3.15Å; C653-L671 HydrophobicContact CB-CB 3.81Å; C653-L671 PolarHBondContact O-N 3.11Å; C653-G672 WeakPolarHBondContact CB-O 3.48Å; C653-G672 PolarHBondContact N-O 2.86Å; C653-G672 PolarHBondContact O-N 2.87Å; C653-L674 HydrophobicContact CB-CD1 4.39Å; C653-L674 HydrophobicContact CB-CG 4.38Å; C653-M700 HydrophobicContact CB-SD 4.4Å; C653-R701 WeakPolarHBondContact CA-O 3.13Å |
| 654 | V | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 123.9 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | D652 V669 L670 R701 | D652-V654 PolarHBondContact O-N 3.21Å; V654-V669 WeakPolarHBondContact CA-O 3.26Å; V654-L670 HydrophobicContact CG2-CD1 3.82Å; V654-R701 HydrophobicContact CB-CG 3.86Å; V654-R701 PolarHBondContact N-O 3.08Å; V654-R701 PolarHBondContact O-N 3.18Å |
| 655 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.3 | 172.6 | 176.8 | 70 | 0 | 0 | 0 | 109.4 | I622 V640 V657 K668 V669 L671 I682 A698 N699 M700 | I622-L655 HydrophobicContact CD1-CD1 4.41Å; V640-L655 HydrophobicContact CB-CD2 3.92Å; V640-L655 HydrophobicContact CG1-CD1 3.97Å; V640-L655 HydrophobicContact CG1-CD2 3.74Å; V640-L655 HydrophobicContact CG2-CD2 4.36Å; L655-V657 HydrophobicContact CD1-CG2 4.23Å; L655-V657 HydrophobicContact CD2-CG2 3.96Å; L655-V657 HydrophobicContact CG-CG2 3.86Å; L655-K668 CarbonylContact O-C 3.45Å; L655-K668 WeakPolarHBondContact O-CA 3.49Å; L655-V669 HydrophobicContact CB-CB 4.32Å; L655-V669 PolarHBondContact N-O 3.23Å; L655-V669 PolarHBondContact O-N 3.39Å; L655-L671 HydrophobicContact CB-CD1 4.25Å; L655-I682 HydrophobicContact CD2-CD1 3.67Å; L655-A698 HydrophobicContact CD1-CB 4.19Å; L655-N699 CarbonylContact C-O 3.47Å; L655-N699 WeakPolarHBondContact CA-O 3.45Å; L655-M700 HydrophobicContact CB-CE 4.07Å; L655-M700 HydrophobicContact CB-SD 4.25Å; L655-M700 HydrophobicContact CD1-CE 4.05Å |
| 656 | T | 96.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.9 | 170.4 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | Q666 Q667 K668 A698 N699 | T656-Q666 HydrophobicContact CG2-CB 4.37Å; T656-Q667 CarbonylContact C-O 3.56Å; T656-Q667 VanDerWaalsContact CA-O 3.27Å; T656-Q667 WeakPolarHBondContact CA-O 3.36Å; T656-K668 HydrophobicContact CG2-CG 4.28Å; T656-A698 CarbonylContact O-C 3.49Å; T656-A698 VanDerWaalsContact O-CA 3.25Å; T656-A698 WeakPolarHBondContact O-CA 3.2Å; T656-N699 PolarHBondContact N-O 2.72Å; T656-N699 PolarHBondContact O-N 2.93Å |
| 657 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.2 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | V640 L655 F663 Q667 L684 I696 Q697 A698 | V640-V657 HydrophobicContact CG2-CG2 4.3Å; L655-V657 HydrophobicContact CD1-CG2 4.23Å; L655-V657 HydrophobicContact CD2-CG2 3.96Å; L655-V657 HydrophobicContact CG-CG2 3.86Å; V657-F663 HydrophobicContact CG1-CE2 3.99Å; V657-F663 HydrophobicContact CG1-CZ 3.82Å; V657-Q667 PolarHBondContact N-O 2.88Å; V657-Q667 PolarHBondContact O-N 3.46Å; V657-L684 HydrophobicContact CB-CD1 3.94Å; V657-L684 HydrophobicContact CG1-CD1 4.26Å; V657-L684 HydrophobicContact CG2-CD1 3.6Å; V657-I696 HydrophobicContact CG1-CG2 3.75Å; V657-Q697 VanDerWaalsContact CA-O 3.31Å; V657-Q697 WeakPolarHBondContact CA-O 3.36Å; V657-A698 HydrophobicContact CG2-CB 4.28Å |
| 658 | E | 97.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 175 | 175.2 | 72.5 | 174.7 | 108.4 | 0 | 0 | 112.9 | N182 T256 Q666 Q697 | N182-E658 HydrophobicContact CB-CG 4.4Å; N182-E658 PolarHBondContact ND2-OE2 2.92Å; T256-E658 WeakPolarHBondContact CB-OE1 3.43Å; T256-E658 PolarHBondContact OG1-OE1 2.81Å; E658-Q666 HydrophobicContact CB-CG 3.97Å; E658-Q666 PolarHBondContact OE1-NE2 2.96Å; E658-Q697 PolarHBondContact N-O 3Å; E658-Q697 PolarHBondContact O-N 3.04Å |
| 659 | G | 97.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | 170.2 | 124.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L662 F663 Q695 | G659-L662 WeakPolarHBondContact O-CB 3.4Å; G659-L662 PolarHBondContact O-N 2.92Å; G659-L662 VanDerWaalsContact O-N 3.08Å; G659-F663 PolarHBondContact O-N 2.93Å; G659-Q695 VanDerWaalsContact CA-O 3.3Å; G659-Q695 WeakPolarHBondContact CA-O 3.19Å | ||
| 660 | S | 97.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 140.7 | 178.9 | -67.3 | 0 | 0 | 0 | 0 | 111 | D164 N182 G184 E187 L662 R694 | D164-S660 WeakPolarHBondContact OD2-CB 3.49Å; N182-S660 PolarHBondContact ND2-OG 3.1Å; N182-S660 PolarHBondContact OD1-OG 2.95Å; G184-S660 VanDerWaalsContact CA-OG 3.23Å; G184-S660 WeakPolarHBondContact CA-OG 3.38Å; E187-S660 WeakPolarHBondContact CG-OG 3.15Å; E187-S660 VanDerWaalsContact OE1-CA 3.24Å; E187-S660 WeakPolarHBondContact OE1-CA 3.19Å; E187-S660 VanDerWaalsContact OE1-CB 3.29Å; E187-S660 WeakPolarHBondContact OE1-CB 3.22Å; S660-L662 PolarHBondContact O-N 2.88Å; S660-R694 WeakPolarHBondContact O-CD 3.49Å |
| 661 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -11.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | E187 P688 F689 K690 | E187-G661 PolarHBondContact OE1-N 2.75Å; G661-P688 CarbonylContact O-C 3.57Å; G661-P688 WeakPolarHBondContact O-CA 3.23Å; G661-F689 WeakPolarHBondContact O-CD1 3.49Å; G661-F689 PolarHBondContact O-N 2.91Å; G661-K690 PolarHBondContact O-N 2.94Å |
| 662 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -39.8 | -179 | -61.9 | 175.9 | 0 | 0 | 0 | 112.2 | G659 S660 T686 P688 R694 I696 V716 | G659-L662 WeakPolarHBondContact O-CB 3.4Å; G659-L662 PolarHBondContact O-N 2.92Å; G659-L662 VanDerWaalsContact O-N 3.08Å; S660-L662 PolarHBondContact O-N 2.88Å; L662-T686 PolarHBondContact O-OG1 3.28Å; L662-P688 HydrophobicContact CD2-CB 4Å; L662-P688 HydrophobicContact CD2-CG 4.02Å; L662-R694 HydrophobicContact CD1-CB 3.82Å; L662-R694 HydrophobicContact CD2-CB 4.06Å; L662-R694 HydrophobicContact CD2-CG 4.31Å; L662-R694 HydrophobicContact CG-CB 3.84Å; L662-R694 HydrophobicContact CG-CG 4.32Å; L662-I696 HydrophobicContact CD1-CD1 4.49Å; L662-I696 HydrophobicContact CD1-CG1 3.48Å; L662-I696 VanDerWaalsContact CD1-CG1 3.48Å; L662-V716 HydrophobicContact CD2-CG2 3.63Å |
| 663 | F | 96.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -128.3 | 129 | -179 | -62.9 | -91.4 | 0 | 0 | 0 | 110.6 | I638 V657 G659 K665 Q667 T686 I696 | I638-F663 HydrophobicContact CD1-CE2 4.07Å; I638-F663 HydrophobicContact CD1-CZ 3.57Å; V657-F663 HydrophobicContact CG1-CE2 3.99Å; V657-F663 HydrophobicContact CG1-CZ 3.82Å; G659-F663 PolarHBondContact O-N 2.93Å; F663-K665 PolarHBondContact O-N 2.92Å; F663-Q667 HydrophobicContact CD1-CG 3.68Å; F663-Q667 HydrophobicContact CE1-CG 3.89Å; F663-T686 HydrophobicContact CD1-CG2 4.47Å; F663-T686 WeakPolarHBondContact CD1-OG1 3.28Å; F663-T686 HydrophobicContact CE1-CG2 4.06Å; F663-T686 HydrophobicContact CE2-CG2 4.48Å; F663-T686 HydrophobicContact CZ-CG2 4.07Å; F663-I696 HydrophobicContact CE2-CG2 4.25Å | ||
| 664 | K | 90.8 | Very high | 95.2 | Very high | 136 Ų | 136 | 44.1 Ų | 44.1 | 59% | 0.591 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -68.1 | -23.8 | 176.3 | -66.7 | -68.1 | -176.3 | -172 | 0 | 113.6 | F689 | K664-F689 HydrophobicContact CD-CD1 3.81Å; K664-F689 HydrophobicContact CD-CE1 3.51Å; K664-F689 HydrophobicContact CD-CE2 4.27Å; K664-F689 HydrophobicContact CD-CG 4.31Å; K664-F689 HydrophobicContact CD-CZ 3.76Å; K664-F689 VanDerWaalsContact CE-CG 3.48Å; K664-F689 HydrophobicContact CG-CD1 4.22Å; K664-F689 HydrophobicContact CG-CE1 3.95Å; K664-F689 VanDerWaalsContact NZ-CE2 3.32Å |
| 665 | K | 90.9 | Very high | 95.2 | Very high | 154 Ų | 154 | 50.3 Ų | 50.3 | 67% | 0.67 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -151.5 | 155.4 | 178.3 | 65.2 | -177.4 | -178.8 | -179.6 | 0 | 109.9 | F663 Q667 | F663-K665 PolarHBondContact O-N 2.92Å; K665-Q667 PolarHBondContact O-N 2.88Å; K665-Q667 PolarHBondContact O-NE2 2.9Å |
| 666 | Q | 93.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | trans | -55.3 | 132.5 | 171.4 | -68.3 | -175.6 | -18.3 | 0 | 0 | 110.5 | T656 E658 | T656-Q666 HydrophobicContact CG2-CB 4.37Å; E658-Q666 HydrophobicContact CB-CG 3.97Å; E658-Q666 PolarHBondContact OE1-NE2 2.96Å | ||
| 667 | Q | 95.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.8 | 171.7 | -57.3 | -53.9 | -49 | 0 | 0 | 108.8 | T656 V657 F663 K665 | T656-Q667 CarbonylContact C-O 3.56Å; T656-Q667 VanDerWaalsContact CA-O 3.27Å; T656-Q667 WeakPolarHBondContact CA-O 3.36Å; V657-Q667 PolarHBondContact N-O 2.88Å; V657-Q667 PolarHBondContact O-N 3.46Å; F663-Q667 HydrophobicContact CD1-CG 3.68Å; F663-Q667 HydrophobicContact CE1-CG 3.89Å; K665-Q667 PolarHBondContact O-N 2.88Å; K665-Q667 PolarHBondContact O-NE2 2.9Å |
| 668 | K | 95.4 | Very high | 94.6 | Very high | 150 Ų | 150 | 63.1 Ų | 63.1 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.5 | 175.3 | -67.4 | -173.4 | 179 | -176.5 | 0 | 109.3 | L655 T656 | L655-K668 CarbonylContact O-C 3.45Å; L655-K668 WeakPolarHBondContact O-CA 3.49Å; T656-K668 HydrophobicContact CG2-CG 4.28Å |
| 669 | V | 95.5 | Very high | 94.3 | Very high | 33 Ų | 33 | 68 Ų | 68 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.9 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | V654 L655 L671 I682 L684 | V654-V669 WeakPolarHBondContact CA-O 3.26Å; L655-V669 HydrophobicContact CB-CB 4.32Å; L655-V669 PolarHBondContact N-O 3.23Å; L655-V669 PolarHBondContact O-N 3.39Å; V669-L671 HydrophobicContact CG1-CD2 3.81Å; V669-I682 HydrophobicContact CG1-CG2 4.37Å; V669-L684 HydrophobicContact CG2-CD2 3.77Å |
| 670 | L | 95.2 | Very high | 94.1 | Very high | 136 Ų | 136 | 68.3 Ų | 68.3 | 71% | 0.712 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 116 | 172.9 | -179.3 | 65.2 | 0 | 0 | 0 | 109.3 | V654 | V654-L670 HydrophobicContact CG2-CD1 3.82Å |
| 671 | L | 92.9 | Very high | 94 | Very high | 42 Ų | 42 | 71.1 Ų | 71.1 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -19.6 | 176.7 | -54.6 | 179 | 0 | 0 | 0 | 112.5 | C653 L655 V669 V673 I682 M700 | C653-L671 HydrophobicContact CB-CB 3.81Å; C653-L671 PolarHBondContact O-N 3.11Å; L655-L671 HydrophobicContact CB-CD1 4.25Å; V669-L671 HydrophobicContact CG1-CD2 3.81Å; L671-V673 PolarHBondContact O-N 3.26Å; L671-I682 HydrophobicContact CD1-CD1 3.63Å; L671-I682 HydrophobicContact CD2-CD1 3.28Å; L671-I682 HydrophobicContact CD2-CG1 3.62Å; L671-I682 HydrophobicContact CG-CD1 4.05Å; L671-M700 HydrophobicContact CD1-CE 3.45Å; L671-M700 VanDerWaalsContact CD1-CE 3.45Å; L671-M700 HydrophobicContact CD1-SD 3.9Å |
| 672 | G | 92.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 25% | 0.247 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.7 | -108.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | E651 D652 C653 | E651-G672 CarbonylContact C-O 3.54Å; D652-G672 PolarHBondContact N-O 3.2Å; C653-G672 WeakPolarHBondContact CB-O 3.48Å; C653-G672 PolarHBondContact N-O 2.86Å; C653-G672 PolarHBondContact O-N 2.87Å |
| 673 | V | 95.6 | Very high | 94 | Very high | 82 Ų | 82 | 77.4 Ų | 77.4 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.2 | -171.6 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | Q649 V650 E651 L671 | Q649-V673 HydrophobicContact CB-CG1 4.37Å; V650-V673 CarbonylContact O-C 3.56Å; V650-V673 WeakPolarHBondContact O-CA 3.45Å; E651-V673 HydrophobicContact CG-CG1 4.36Å; E651-V673 HydrophobicContact CG-CG2 4.15Å; L671-V673 PolarHBondContact O-N 3.26Å |
| 674 | L | 94.4 | Very high | 94 | Very high | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.3 | 170.6 | -64.1 | 178.1 | 0 | 0 | 0 | 110.1 | F642 N644 Q649 V650 C653 A680 | F642-L674 HydrophobicContact CD1-CD1 3.77Å; F642-L674 HydrophobicContact CE1-CD1 3.89Å; N644-L674 HydrophobicContact CB-CB 4.23Å; N644-L674 PolarHBondContact ND2-O 2.99Å; Q649-L674 WeakPolarHBondContact CA-O 3.48Å; V650-L674 PolarHBondContact N-O 3.4Å; V650-L674 PolarHBondContact O-N 3.12Å; C653-L674 HydrophobicContact CB-CD1 4.39Å; C653-L674 HydrophobicContact CB-CG 4.38Å; L674-A680 HydrophobicContact CD1-CB 4.49Å; L674-A680 HydrophobicContact CD2-CB 3.62Å |
| 675 | K | 95.4 | Very high | 94.3 | Very high | 148 Ų | 148 | 79 Ų | 79 | 64% | 0.643 | 40% | 0.399 | S | S | * | . | trans | -64 | 159.4 | 176 | -69.8 | -178.5 | -178 | 178.8 | 0 | 111.4 | N644 Q677 H678 | N644-K675 PolarHBondContact ND2-O 2.9Å; K675-Q677 PolarHBondContact O-N 2.86Å; K675-H678 HydrophobicContact CB-CB 3.93Å; K675-H678 VanDerWaalsContact O-CB 3.31Å; K675-H678 WeakPolarHBondContact O-CB 3.46Å; K675-H678 PolarHBondContact O-N 2.98Å; K675-H678 VanDerWaalsContact O-N 3.12Å | ||
| 676 | P | 94.2 | Very high | 94.5 | Very high | 63 Ų | 63 | 72.5 Ų | 72.5 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 131.9 | 173.5 | -26.1 | 32.6 | 0 | 0 | 0 | 111.8 | L646 H678 | L646-P676 WeakPolarHBondContact O-CA 3.44Å; P676-H678 PolarHBondContact O-N 3.01Å |
| 677 | Q | 89.9 | Confident | 94.7 | Very high | 119 Ų | 119 | 73.7 Ų | 73.7 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 11.7 | 178.2 | -54 | -61.3 | -25.4 | 0 | 0 | 115.6 | N644 P645 L646 K675 | N644-Q677 VanDerWaalsContact O-CA 3.23Å; N644-Q677 WeakPolarHBondContact O-CA 3.38Å; N644-Q677 PolarHBondContact O-N 2.84Å; P645-Q677 PolarHBondContact O-NE2 2.94Å; L646-Q677 PolarHBondContact O-N 2.76Å; L646-Q677 PolarHBondContact O-NE2 2.98Å; K675-Q677 PolarHBondContact O-N 2.86Å |
| 678 | H | 92.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 143.2 | -179.7 | -175.2 | 65.7 | 0 | 0 | 0 | 111.4 | S643 N644 K675 P676 | S643-H678 WeakPolarHBondContact CA-O 3.21Å; N644-H678 PolarHBondContact N-O 3.41Å; K675-H678 HydrophobicContact CB-CB 3.93Å; K675-H678 VanDerWaalsContact O-CB 3.31Å; K675-H678 WeakPolarHBondContact O-CB 3.46Å; K675-H678 PolarHBondContact O-N 2.98Å; K675-H678 VanDerWaalsContact O-N 3.12Å; P676-H678 PolarHBondContact O-N 3.01Å |
| 679 | Q | 92.9 | Very high | 94.8 | Very high | 111 Ų | 111 | 65.5 Ų | 65.5 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.5 | 175 | -178.1 | 174.1 | 84.5 | 0 | 0 | 110.3 | I641 F642 S643 | I641-Q679 VanDerWaalsContact CG2-CD 3.42Å; I641-Q679 HydrophobicContact CG2-CG 3.5Å; I641-Q679 VanDerWaalsContact CG2-CG 3.5Å; F642-Q679 CarbonylContact O-C 3.46Å; F642-Q679 WeakPolarHBondContact O-CA 3.37Å; S643-Q679 PolarHBondContact OG-NE2 3.47Å |
| 680 | A | 92.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | I641 F642 L674 | I641-A680 WeakPolarHBondContact CA-O 3.41Å; F642-A680 PolarHBondContact N-O 3.37Å; F642-A680 PolarHBondContact O-N 2.85Å; L674-A680 HydrophobicContact CD1-CB 4.49Å; L674-A680 HydrophobicContact CD2-CB 3.62Å |
| 681 | S | 95.4 | Very high | 94.7 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.5 | 173.3 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | Q639 V640 | Q639-S681 PolarHBondContact NE2-OG 2.94Å; V640-S681 WeakPolarHBondContact O-CA 3.3Å |
| 682 | I | 95.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 58.7 Ų | 58.7 | 14% | 0.138 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.3 | -176.6 | -56.8 | 126.9 | 0 | 0 | 0 | 108.6 | Q639 V640 L655 V669 L671 L684 | Q639-I682 CarbonylContact C-O 3.59Å; Q639-I682 VanDerWaalsContact CA-O 3.29Å; Q639-I682 WeakPolarHBondContact CA-O 3.34Å; V640-I682 PolarHBondContact N-O 2.87Å; V640-I682 PolarHBondContact O-N 2.89Å; L655-I682 HydrophobicContact CD2-CD1 3.67Å; V669-I682 HydrophobicContact CG1-CG2 4.37Å; L671-I682 HydrophobicContact CD1-CD1 3.63Å; L671-I682 HydrophobicContact CD2-CD1 3.28Å; L671-I682 HydrophobicContact CD2-CG1 3.62Å; L671-I682 HydrophobicContact CG-CD1 4.05Å; I682-L684 HydrophobicContact CG2-CD2 4.14Å; I682-L684 HydrophobicContact CG2-CG 4.3Å |
| 683 | I | 96.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.4 | 171.3 | -60.4 | 175.9 | 0 | 0 | 0 | 108.4 | L627 I638 | L627-I683 HydrophobicContact CD1-CD1 4.45Å; I638-I683 CarbonylContact O-C 3.09Å; I638-I683 WeakPolarHBondContact O-CA 3.28Å |
| 684 | L | 96.3 | Very high | 95 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.8 | 174.6 | -63 | 175.7 | 0 | 0 | 0 | 109.3 | S637 I638 V640 V657 V669 I682 | S637-L684 CarbonylContact C-O 3.58Å; S637-L684 WeakPolarHBondContact CA-O 3.32Å; I638-L684 PolarHBondContact N-O 2.77Å; I638-L684 PolarHBondContact O-N 2.67Å; V640-L684 HydrophobicContact CG2-CD1 4.39Å; V657-L684 HydrophobicContact CB-CD1 3.94Å; V657-L684 HydrophobicContact CG1-CD1 4.26Å; V657-L684 HydrophobicContact CG2-CD1 3.6Å; V669-L684 HydrophobicContact CG2-CD2 3.77Å; I682-L684 HydrophobicContact CG2-CD2 4.14Å; I682-L684 HydrophobicContact CG2-CG 4.3Å |
| 685 | E | 95.8 | Very high | 95.1 | Very high | 153 Ų | 153 | 58 Ų | 58 | 72% | 0.715 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.4 | 173 | -65.1 | -174.8 | 167.4 | 0 | 0 | 110 | L636 | L636-E685 WeakPolarHBondContact O-CA 3.37Å |
| 686 | T | 96.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 168.8 | 171.1 | -160.8 | 0 | 0 | 0 | 0 | 111.3 | P635 L636 I638 L662 F663 | P635-T686 CarbonylContact C-O 3.55Å; L636-T686 HydrophobicContact CB-CG2 4.19Å; L636-T686 HydrophobicContact CD2-CG2 4.45Å; L636-T686 PolarHBondContact N-O 2.91Å; L636-T686 PolarHBondContact O-N 2.9Å; I638-T686 HydrophobicContact CD1-CG2 3.77Å; L662-T686 PolarHBondContact O-OG1 3.28Å; F663-T686 HydrophobicContact CD1-CG2 4.47Å; F663-T686 WeakPolarHBondContact CD1-OG1 3.28Å; F663-T686 HydrophobicContact CE1-CG2 4.06Å; F663-T686 HydrophobicContact CE2-CG2 4.48Å; F663-T686 HydrophobicContact CZ-CG2 4.07Å |
| 687 | V | 97.3 | Very high | 95.4 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | trans | -125.6 | 101.1 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | F689 | V687-F689 PolarHBondContact O-N 2.75Š| ||
| 688 | P | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -56.6 | 136.7 | 174.9 | -25 | 36.2 | 0 | 0 | 0 | 110.9 | N633 Q634 L636 G661 L662 V716 | N633-P688 PolarHBondContact N-O 3.12Å; Q634-P688 VanDerWaalsContact O-CD 3.27Å; Q634-P688 WeakPolarHBondContact O-CD 3.31Å; L636-P688 HydrophobicContact CB-CG 4.18Å; L636-P688 HydrophobicContact CD2-CG 3.95Å; G661-P688 CarbonylContact O-C 3.57Å; G661-P688 WeakPolarHBondContact O-CA 3.23Å; L662-P688 HydrophobicContact CD2-CB 4Å; L662-P688 HydrophobicContact CD2-CG 4.02Å; P688-V716 HydrophobicContact CB-CG1 3.65Å; P688-V716 HydrophobicContact CB-CG2 4.25Å; P688-V716 HydrophobicContact CG-CG1 4.4Å | ||
| 689 | F | 95.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 18% | 0.18 | 20% | 0.2 | C | C | . | . | trans | -125.2 | 3.2 | -177.5 | 58.6 | -91 | 0 | 0 | 0 | 113 | G661 K664 V687 | G661-F689 WeakPolarHBondContact O-CD1 3.49Å; G661-F689 PolarHBondContact O-N 2.91Å; K664-F689 HydrophobicContact CD-CD1 3.81Å; K664-F689 HydrophobicContact CD-CE1 3.51Å; K664-F689 HydrophobicContact CD-CE2 4.27Å; K664-F689 HydrophobicContact CD-CG 4.31Å; K664-F689 HydrophobicContact CD-CZ 3.76Å; K664-F689 VanDerWaalsContact CE-CG 3.48Å; K664-F689 HydrophobicContact CG-CD1 4.22Å; K664-F689 HydrophobicContact CG-CE1 3.95Å; K664-F689 VanDerWaalsContact NZ-CE2 3.32Å; V687-F689 PolarHBondContact O-N 2.75Å | ||
| 690 | K | 93.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -134.6 | 139.8 | 170.5 | -59.8 | -179 | 160.5 | -155.4 | 0 | 110.1 | E25 F186 G661 R694 V716 | E25-K690 PolarHBondContact O-NZ 2.91Å; E25-K690 WeakPolarHBondContact OE2-CD 3.45Å; E25-K690 WeakPolarHBondContact OE2-CE 3.16Å; E25-K690 IonicContact OE2-NZ 2.72Å; E25-K690 PolarHBondContact OE2-NZ 2.83Å; F186-K690 PolarHBondContact O-NZ 2.57Å; G661-K690 PolarHBondContact O-N 2.94Å; K690-R694 VanDerWaalsContact CB-NH2 3.35Å; K690-V716 WeakPolarHBondContact O-CG1 3.22Å |
| 691 | S | 94.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | trans | -83.9 | 167.4 | 179.4 | 54.3 | 0 | 0 | 0 | 0 | 113 | R694 V716 F718 | S691-R694 PolarHBondContact O-NH1 2.75Å; S691-R694 PolarHBondContact O-NH2 3.47Å; S691-V716 CarbonylContact C-O 3.48Å; S691-V716 WeakPolarHBondContact CA-O 3.36Å; S691-F718 WeakPolarHBondContact OG-CE2 3.46Å; S691-F718 WeakPolarHBondContact OG-CZ 3.43Å | ||
| 692 | G | 95 | Very high | 95.8 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.8 | -165.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R694 V716 | G692-R694 PolarHBondContact O-N 3.27Å; G692-V716 PolarHBondContact N-O 3.41Å; G692-V716 PolarHBondContact O-N 3.06Å |
| 693 | Q | 95.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.1 | -178.3 | -172.5 | 72.5 | 6 | 0 | 0 | 110.7 | Y165 Y715 | Y165-Q693 HydrophobicContact CE1-CG 4.43Å; Y165-Q693 WeakPolarHBondContact OH-CG 3.35Å; Q693-Y715 HydrophobicContact CB-CD2 4.43Å |
| 694 | R | 96.6 | Very high | 95 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 167 | 178.3 | -58.6 | -61.7 | 178.8 | -110.4 | 15.3 | 110.3 | E25 S660 L662 K690 S691 G692 N713 V714 V716 | E25-R694 IonicContact OE1-NH2 3.3Å; E25-R694 PolarHBondContact OE1-NH2 2.91Å; E25-R694 IonicContact OE2-NH2 3.4Å; E25-R694 PolarHBondContact OE2-NH2 2.98Å; S660-R694 WeakPolarHBondContact O-CD 3.49Å; L662-R694 HydrophobicContact CD1-CB 3.82Å; L662-R694 HydrophobicContact CD2-CB 4.06Å; L662-R694 HydrophobicContact CD2-CG 4.31Å; L662-R694 HydrophobicContact CG-CB 3.84Å; L662-R694 HydrophobicContact CG-CG 4.32Å; K690-R694 VanDerWaalsContact CB-NH2 3.35Å; S691-R694 PolarHBondContact O-NH1 2.75Å; S691-R694 PolarHBondContact O-NH2 3.47Å; G692-R694 PolarHBondContact O-N 3.27Å; R694-N713 WeakPolarHBondContact O-CA 3.49Å; R694-V714 PolarHBondContact N-O 3.41Å; R694-V714 PolarHBondContact O-N 3.02Å; R694-V714 VanDerWaalsContact O-O 3.1Å; R694-V716 HydrophobicContact CB-CG2 4.4Å; R694-V716 HydrophobicContact CG-CG2 3.95Å |
| 695 | Q | 97.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.1 | 178.2 | -169.7 | 176.7 | 88.8 | 0 | 0 | 111.1 | Y165 G659 Q697 Y711 N713 | Y165-Q695 HydrophobicContact CD1-CB 3.95Å; Y165-Q695 HydrophobicContact CD2-CB 3.61Å; Y165-Q695 VanDerWaalsContact CD2-CD 3.45Å; Y165-Q695 HydrophobicContact CD2-CG 4.15Å; Y165-Q695 HydrophobicContact CE1-CB 4.23Å; Y165-Q695 HydrophobicContact CE2-CB 3.93Å; Y165-Q695 HydrophobicContact CE2-CG 4.46Å; Y165-Q695 HydrophobicContact CG-CB 3.63Å; G659-Q695 VanDerWaalsContact CA-O 3.3Å; G659-Q695 WeakPolarHBondContact CA-O 3.19Å; Q695-Q697 HydrophobicContact CG-CG 4.13Å; Q695-Y711 HydrophobicContact CG-CD2 4.13Å; Q695-N713 WeakPolarHBondContact CG-OD1 3.47Å; Q695-N713 PolarHBondContact NE2-OD1 2.74Å |
| 696 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.6 | 166.5 | -56.1 | 164.2 | 0 | 0 | 0 | 107.3 | I624 V626 I638 V657 L662 F663 Y711 R712 V714 | I624-I696 HydrophobicContact CD1-CG2 4.04Å; I624-I696 HydrophobicContact CG2-CB 4.43Å; I624-I696 HydrophobicContact CG2-CD1 4.2Å; I624-I696 HydrophobicContact CG2-CG2 4.11Å; V626-I696 HydrophobicContact CG2-CD1 3.92Å; I638-I696 HydrophobicContact CD1-CD1 3.57Å; I638-I696 HydrophobicContact CD1-CG1 4.27Å; I638-I696 HydrophobicContact CG1-CD1 3.89Å; I638-I696 HydrophobicContact CG2-CD1 4.07Å; V657-I696 HydrophobicContact CG1-CG2 3.75Å; L662-I696 HydrophobicContact CD1-CD1 4.49Å; L662-I696 HydrophobicContact CD1-CG1 3.48Å; L662-I696 VanDerWaalsContact CD1-CG1 3.48Å; F663-I696 HydrophobicContact CE2-CG2 4.25Å; I696-Y711 CarbonylContact O-C 3.5Å; I696-Y711 WeakPolarHBondContact O-CA 3.32Å; I696-Y711 WeakPolarHBondContact O-CB 3.31Å; I696-R712 PolarHBondContact N-O 2.87Å; I696-R712 PolarHBondContact O-N 2.79Å; I696-V714 HydrophobicContact CD1-CG2 3.56Å; I696-V714 HydrophobicContact CG1-CG2 3.94Å |
| 697 | Q | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.4 | 177.9 | -59.4 | 178.7 | -4.8 | 0 | 0 | 109.7 | P180 W181 T256 V657 E658 Q695 | P180-Q697 HydrophobicContact CB-CG 3.99Å; W181-Q697 VanDerWaalsContact C-OE1 3.27Å; W181-Q697 PolarHBondContact O-NE2 2.93Å; T256-Q697 PolarHBondContact O-OE1 3.07Å; V657-Q697 VanDerWaalsContact CA-O 3.31Å; V657-Q697 WeakPolarHBondContact CA-O 3.36Å; E658-Q697 PolarHBondContact N-O 3Å; E658-Q697 PolarHBondContact O-N 3.04Å; Q695-Q697 HydrophobicContact CG-CG 4.13Å |
| 698 | A | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I622 I624 L655 T656 V657 K709 G710 | I622-A698 HydrophobicContact CD1-CB 4.05Å; I622-A698 HydrophobicContact CG2-CB 3.99Å; I624-A698 HydrophobicContact CD1-CB 3.78Å; I624-A698 HydrophobicContact CG1-CB 4.49Å; L655-A698 HydrophobicContact CD1-CB 4.19Å; T656-A698 CarbonylContact O-C 3.49Å; T656-A698 VanDerWaalsContact O-CA 3.25Å; T656-A698 WeakPolarHBondContact O-CA 3.2Å; V657-A698 HydrophobicContact CG2-CB 4.28Å; A698-K709 CarbonylContact O-C 3.58Å; A698-K709 WeakPolarHBondContact O-CA 3.29Å; A698-G710 PolarHBondContact N-O 2.8Å; A698-G710 PolarHBondContact O-N 2.92Å |
| 699 | N | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.7 | 169 | -179.9 | 66.3 | 0 | 0 | 0 | 110.5 | T256 L655 T656 I708 K709 | T256-N699 HydrophobicContact CG2-CB 3.43Å; T256-N699 VanDerWaalsContact CG2-CB 3.43Å; L655-N699 CarbonylContact C-O 3.47Å; L655-N699 WeakPolarHBondContact CA-O 3.45Å; T656-N699 PolarHBondContact N-O 2.72Å; T656-N699 PolarHBondContact O-N 2.93Å; N699-I708 CarbonylContact C-O 3.52Å; N699-I708 VanDerWaalsContact CA-O 3.3Å; N699-I708 WeakPolarHBondContact CA-O 3.16Å; N699-I708 PolarHBondContact OD1-O 2.67Å; N699-K709 HydrophobicContact CB-CD 3.9Å; N699-K709 VanDerWaalsContact OD1-CD 3.31Å; N699-K709 WeakPolarHBondContact OD1-CD 3.45Å; N699-K709 WeakPolarHBondContact OD1-CE 3.44Å; N699-K709 PolarHBondContact OD1-NZ 3.13Å; N699-K709 VanDerWaalsContact OD1-NZ 3.17Å |
| 700 | M | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.2 | 168.8 | -173.7 | 69.8 | 72.2 | 0 | 0 | 109.5 | I622 F642 C653 L655 L671 F705 D707 I708 | I622-M700 HydrophobicContact CD1-CB 3.88Å; F642-M700 HydrophobicContact CB-CE 3.8Å; F642-M700 HydrophobicContact CD1-CE 3.82Å; F642-M700 HydrophobicContact CD1-CG 4.2Å; F642-M700 HydrophobicContact CE1-CG 4.25Å; F642-M700 HydrophobicContact CG-CE 3.88Å; F642-M700 HydrophobicContact CG-CG 4.45Å; C653-M700 HydrophobicContact CB-SD 4.4Å; L655-M700 HydrophobicContact CB-CE 4.07Å; L655-M700 HydrophobicContact CB-SD 4.25Å; L655-M700 HydrophobicContact CD1-CE 4.05Å; L671-M700 HydrophobicContact CD1-CE 3.45Å; L671-M700 VanDerWaalsContact CD1-CE 3.45Å; L671-M700 HydrophobicContact CD1-SD 3.9Å; M700-F705 HydrophobicContact CG-CE2 3.78Å; M700-D707 CarbonylContact O-C 3.6Å; M700-I708 HydrophobicContact CB-CB 4.25Å; M700-I708 PolarHBondContact N-O 3.03Å; M700-I708 PolarHBondContact O-N 2.9Å |
| 701 | R | 93 | Very high | 93 | Very high | 89 Ų | 89 | 28.1 Ų | 28.1 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 153.5 | 168.1 | 71.8 | 175 | -163.6 | 111.9 | 8.4 | 110.4 | E254 C653 V654 K706 | E254-R701 HydrophobicContact CG-CB 4.33Å; E254-R701 WeakPolarHBondContact OE1-CD 3.41Å; E254-R701 IonicContact OE1-NH1 3.76Å; E254-R701 WeakPolarHBondContact OE2-CD 3.48Å; E254-R701 IonicContact OE2-NE 3.23Å; C653-R701 WeakPolarHBondContact CA-O 3.13Å; V654-R701 HydrophobicContact CB-CG 3.86Å; V654-R701 PolarHBondContact N-O 3.08Å; V654-R701 PolarHBondContact O-N 3.18Å; R701-K706 WeakPolarHBondContact CB-O 3.13Å |
| 702 | S | 92.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | trans | -153.7 | -179.1 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 111.6 | V650 E651 K704 F705 | V650-S702 WeakPolarHBondContact CG1-OG 3.41Å; E651-S702 WeakPolarHBondContact O-CB 3.43Å; S702-K704 VanDerWaalsContact C-N 3.27Å; S702-K704 PolarHBondContact O-N 3.26Å; S702-K704 PolarHBondContact OG-N 3.42Å; S702-F705 PolarHBondContact N-O 3.16Å; S702-F705 WeakPolarHBondContact OG-CD1 3.36Å; S702-F705 WeakPolarHBondContact OG-CD2 3.16Å; S702-F705 WeakPolarHBondContact OG-CE2 3.34Å; S702-F705 VanDerWaalsContact OG-CG 3.27Å; S702-F705 WeakPolarHBondContact OG-CG 3.28Å; S702-F705 WeakPolarHBondContact OG-CZ 3.2Å; S702-F705 PolarHBondContact OG-N 2.86Å; S702-F705 PolarHBondContact OG-O 3.28Å | ||
| 703 | N | 89.8 | Confident | 93.2 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -62 | -33.4 | 170 | 68.1 | -23.8 | 0 | 0 | 0 | 112.9 | E651 K706 | E651-N703 PolarHBondContact N-OD1 3.48Å; E651-N703 PolarHBondContact O-N 2.59Å; E651-N703 PolarHBondContact O-OD1 2.88Å; N703-K706 PolarHBondContact O-NZ 2.94Å |
| 704 | K | 87.8 | Confident | 93.3 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 32% | 0.317 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -95.2 | -23.7 | -174.9 | -65.8 | -70 | -178.4 | 154.3 | 0 | 115.1 | L646 E648 V650 S702 | L646-K704 HydrophobicContact CD1-CB 3.87Å; L646-K704 HydrophobicContact CD1-CG 4.02Å; E648-K704 IonicContact OE1-NZ 2.81Å; E648-K704 PolarHBondContact OE1-NZ 3.45Å; E648-K704 WeakPolarHBondContact OE2-CE 3.31Å; E648-K704 IonicContact OE2-NZ 3.16Å; E648-K704 PolarHBondContact OE2-NZ 2.67Å; V650-K704 HydrophobicContact CG1-CB 4.37Å; V650-K704 HydrophobicContact CG2-CB 4.36Å; V650-K704 HydrophobicContact CG2-CG 4.28Å; S702-K704 VanDerWaalsContact C-N 3.27Å; S702-K704 PolarHBondContact O-N 3.26Å; S702-K704 PolarHBondContact OG-N 3.42Å |
| 705 | F | 83.8 | Confident | 93.3 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -140.2 | 128.7 | 176 | 41.1 | -98.8 | 0 | 0 | 0 | 110.5 | Y619 F642 V650 M700 S702 I708 | Y619-F705 HydrophobicContact CE1-CB 3.78Å; Y619-F705 HydrophobicContact CE1-CG 4.39Å; F642-F705 HydrophobicContact CE1-CE2 4.1Å; F642-F705 AromaticContact CE1-CZ 3.63Å; F642-F705 HydrophobicContact CE1-CZ 3.63Å; F642-F705 HydrophobicContact CZ-CE1 4.23Å; F642-F705 AromaticContact CZ-CE2 3.87Å; F642-F705 HydrophobicContact CZ-CE2 3.87Å; F642-F705 AromaticContact CZ-CZ 3.53Å; F642-F705 HydrophobicContact CZ-CZ 3.53Å; V650-F705 HydrophobicContact CB-CE1 4.37Å; V650-F705 HydrophobicContact CG1-CE1 3.72Å; V650-F705 HydrophobicContact CG1-CZ 3.69Å; V650-F705 HydrophobicContact CG2-CE1 3.89Å; V650-F705 HydrophobicContact CG2-CZ 4.46Å; M700-F705 HydrophobicContact CG-CE2 3.78Å; S702-F705 PolarHBondContact N-O 3.16Å; S702-F705 WeakPolarHBondContact OG-CD1 3.36Å; S702-F705 WeakPolarHBondContact OG-CD2 3.16Å; S702-F705 WeakPolarHBondContact OG-CE2 3.34Å; S702-F705 VanDerWaalsContact OG-CG 3.27Å; S702-F705 WeakPolarHBondContact OG-CG 3.28Å; S702-F705 WeakPolarHBondContact OG-CZ 3.2Å; S702-F705 PolarHBondContact OG-N 2.86Å; S702-F705 PolarHBondContact OG-O 3.28Å; F705-I708 HydrophobicContact CB-CD1 4.37Å; F705-I708 HydrophobicContact CB-CG1 4.42Å; F705-I708 HydrophobicContact CD1-CD1 4.19Å; F705-I708 HydrophobicContact CD2-CD1 3.43Å; F705-I708 VanDerWaalsContact CD2-CD1 3.43Å; F705-I708 HydrophobicContact CD2-CG1 3.81Å; F705-I708 HydrophobicContact CE1-CD1 4.36Å; F705-I708 HydrophobicContact CE2-CD1 3.66Å; F705-I708 HydrophobicContact CE2-CG1 4.38Å; F705-I708 HydrophobicContact CG-CD1 3.74Å; F705-I708 HydrophobicContact CG-CG1 4.21Å; F705-I708 HydrophobicContact CZ-CD1 4.12Å | ||
| 706 | K | 82.6 | Confident | 93.3 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -80.5 | -33.1 | -172.8 | -54.2 | -52 | -177.9 | -168 | 0 | 112.7 | T590 R701 N703 | T590-K706 HydrophobicContact CG2-CB 4.11Å; R701-K706 WeakPolarHBondContact CB-O 3.13Å; N703-K706 PolarHBondContact O-NZ 2.94Å |
| 707 | D | 88.4 | Confident | 93.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | trans | -142.4 | 136.5 | 176.2 | 71.7 | -62 | 0 | 0 | 0 | 111.5 | R177 A253 K592 M700 | R177-D707 IonicContact CZ-OD2 3.38Å; R177-D707 IonicContact NH1-OD2 2.71Å; R177-D707 PolarHBondContact NH1-OD2 2.7Å; R177-D707 IonicContact NH2-OD2 3.8Å; R177-D707 PolarHBondContact NH2-OD2 2.67Å; A253-D707 HydrophobicContact CB-CB 3.9Å; A253-D707 WeakPolarHBondContact O-CB 3.35Å; K592-D707 PolarHBondContact NZ-O 3.4Å; K592-D707 IonicContact NZ-OD1 2.88Å; K592-D707 PolarHBondContact NZ-OD1 3.17Å; K592-D707 IonicContact NZ-OD2 3.83Å; K592-D707 PolarHBondContact NZ-OD2 3.48Å; M700-D707 CarbonylContact O-C 3.6Å | ||
| 708 | I | 91.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.3 | 159 | -58.4 | 178.7 | 0 | 0 | 0 | 105.7 | Y619 P620 I622 F642 N699 M700 F705 | Y619-I708 HydrophobicContact CD1-CD1 3.71Å; Y619-I708 HydrophobicContact CD1-CG1 3.94Å; Y619-I708 HydrophobicContact CE1-CD1 4.41Å; P620-I708 WeakPolarHBondContact O-CG2 3.43Å; I622-I708 HydrophobicContact CD1-CG2 4.47Å; I622-I708 WeakPolarHBondContact CD1-O 3.25Å; I622-I708 HydrophobicContact CG1-CG2 4.09Å; F642-I708 HydrophobicContact CE2-CB 4.45Å; F642-I708 HydrophobicContact CE2-CD1 3.35Å; F642-I708 HydrophobicContact CE2-CG1 4.47Å; F642-I708 HydrophobicContact CE2-CG2 4.08Å; F642-I708 HydrophobicContact CZ-CD1 3.45Å; F642-I708 VanDerWaalsContact CZ-CD1 3.45Å; N699-I708 CarbonylContact C-O 3.52Å; N699-I708 VanDerWaalsContact CA-O 3.3Å; N699-I708 WeakPolarHBondContact CA-O 3.16Å; N699-I708 PolarHBondContact OD1-O 2.67Å; M700-I708 HydrophobicContact CB-CB 4.25Å; M700-I708 PolarHBondContact N-O 3.03Å; M700-I708 PolarHBondContact O-N 2.9Å; F705-I708 HydrophobicContact CB-CD1 4.37Å; F705-I708 HydrophobicContact CB-CG1 4.42Å; F705-I708 HydrophobicContact CD1-CD1 4.19Å; F705-I708 HydrophobicContact CD2-CD1 3.43Å; F705-I708 VanDerWaalsContact CD2-CD1 3.43Å; F705-I708 HydrophobicContact CD2-CG1 3.81Å; F705-I708 HydrophobicContact CE1-CD1 4.36Å; F705-I708 HydrophobicContact CE2-CD1 3.66Å; F705-I708 HydrophobicContact CE2-CG1 4.38Å; F705-I708 HydrophobicContact CG-CD1 3.74Å; F705-I708 HydrophobicContact CG-CG1 4.21Å; F705-I708 HydrophobicContact CZ-CD1 4.12Å |
| 709 | K | 92 | Very high | 92.1 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 151.1 | -174.8 | -55.5 | -71.8 | 177.1 | 177.1 | 0 | 110.8 | P180 A253 E254 W255 T256 A698 N699 | P180-K709 HydrophobicContact CG-CB 4.25Å; A253-K709 WeakPolarHBondContact O-CE 3.3Å; A253-K709 PolarHBondContact O-NZ 2.9Å; E254-K709 PolarHBondContact O-NZ 3.01Å; E254-K709 VanDerWaalsContact O-NZ 3.11Å; W255-K709 PolarHBondContact O-NZ 3.14Å; T256-K709 HydrophobicContact CG2-CD 4.19Å; A698-K709 CarbonylContact O-C 3.58Å; A698-K709 WeakPolarHBondContact O-CA 3.29Å; N699-K709 HydrophobicContact CB-CD 3.9Å; N699-K709 VanDerWaalsContact OD1-CD 3.31Å; N699-K709 WeakPolarHBondContact OD1-CD 3.45Å; N699-K709 WeakPolarHBondContact OD1-CE 3.44Å; N699-K709 PolarHBondContact OD1-NZ 3.13Å; N699-K709 VanDerWaalsContact OD1-NZ 3.17Å |
| 710 | G | 94.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 162.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A698 | A698-G710 PolarHBondContact N-O 2.8Å; A698-G710 PolarHBondContact O-N 2.92Å |
| 711 | Y | 96.8 | Very high | 90.1 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163 | 178.5 | 72.1 | -82.6 | 0 | 0 | 0 | 111.8 | F167 P180 Q695 I696 | F167-Y711 AromaticContact CE1-CD1 3.73Å; F167-Y711 HydrophobicContact CE1-CD1 3.73Å; F167-Y711 HydrophobicContact CE1-CD2 4.23Å; F167-Y711 AromaticContact CE1-CE1 3.51Å; F167-Y711 HydrophobicContact CE1-CE1 3.51Å; F167-Y711 HydrophobicContact CE1-CE2 4.04Å; F167-Y711 HydrophobicContact CE1-CG 4.09Å; F167-Y711 AromaticContact CE1-CZ 3.68Å; F167-Y711 HydrophobicContact CZ-CD1 4.27Å; F167-Y711 AromaticContact CZ-CD2 3.99Å; F167-Y711 HydrophobicContact CZ-CD2 3.99Å; F167-Y711 AromaticContact CZ-CE1 3.85Å; F167-Y711 HydrophobicContact CZ-CE1 3.85Å; F167-Y711 AromaticContact CZ-CE2 3.56Å; F167-Y711 HydrophobicContact CZ-CE2 3.56Å; F167-Y711 HydrophobicContact CZ-CG 4.33Å; F167-Y711 AromaticContact CZ-CZ 3.48Å; F167-Y711 VanDerWaalsContact CZ-CZ 3.48Å; P180-Y711 HydrophobicContact CB-CD1 4.22Å; P180-Y711 HydrophobicContact CB-CG 4.2Å; P180-Y711 HydrophobicContact CG-CD1 4.2Å; P180-Y711 HydrophobicContact CG-CG 4.46Å; Q695-Y711 HydrophobicContact CG-CD2 4.13Å; I696-Y711 CarbonylContact O-C 3.5Å; I696-Y711 WeakPolarHBondContact O-CA 3.32Å; I696-Y711 WeakPolarHBondContact O-CB 3.31Å |
| 712 | R | 97.3 | Very high | 89.9 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 126 | 169.9 | -177.5 | 68 | 177.6 | -170.7 | -1.9 | 110.1 | I624 V626 I696 V714 | I624-R712 HydrophobicContact CB-CB 3.8Å; I624-R712 HydrophobicContact CG2-CB 3.9Å; V626-R712 HydrophobicContact CG2-CG 4.28Å; I696-R712 PolarHBondContact N-O 2.87Å; I696-R712 PolarHBondContact O-N 2.79Å; R712-V714 HydrophobicContact CG-CG2 4.48Å |
| 713 | N | 97.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 140.8 | 170.4 | -72.1 | -12 | 0 | 0 | 0 | 110.9 | D435 R694 Q695 | D435-N713 PolarHBondContact OD2-ND2 2.8Å; R694-N713 WeakPolarHBondContact O-CA 3.49Å; Q695-N713 WeakPolarHBondContact CG-OD1 3.47Å; Q695-N713 PolarHBondContact NE2-OD1 2.74Å |
| 714 | V | 96.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130.9 | -178.7 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | V626 A630 R694 I696 R712 V716 | V626-V714 HydrophobicContact CG2-CG2 3.59Å; A630-V714 HydrophobicContact CB-CG1 3.53Å; R694-V714 PolarHBondContact N-O 3.41Å; R694-V714 PolarHBondContact O-N 3.02Å; R694-V714 VanDerWaalsContact O-O 3.1Å; I696-V714 HydrophobicContact CD1-CG2 3.56Å; I696-V714 HydrophobicContact CG1-CG2 3.94Å; R712-V714 HydrophobicContact CG-CG2 4.48Å; V714-V716 HydrophobicContact CG1-CG2 4.46Å |
| 715 | Y | 97.2 | Very high | 89.9 | Confident | 140 Ų | 140 | 68.1 Ų | 68.1 | 55% | 0.549 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.1 | 169.2 | -165.5 | -90.3 | 0 | 0 | 0 | 108.7 | Q693 D717 | Q693-Y715 HydrophobicContact CB-CD2 4.43Å; Y715-D717 WeakPolarHBondContact CE1-OD1 3.35Å |
| 716 | V | 97.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.2 | -178.5 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | A630 V632 L662 P688 K690 S691 G692 R694 V714 | A630-V716 HydrophobicContact CB-CB 4.45Å; A630-V716 HydrophobicContact CB-CG1 4.46Å; A630-V716 HydrophobicContact CB-CG2 4.09Å; A630-V716 CarbonylContact O-C 3.57Å; A630-V716 WeakPolarHBondContact O-CA 3.24Å; V632-V716 HydrophobicContact CG2-CG1 3.79Å; L662-V716 HydrophobicContact CD2-CG2 3.63Å; P688-V716 HydrophobicContact CB-CG1 3.65Å; P688-V716 HydrophobicContact CB-CG2 4.25Å; P688-V716 HydrophobicContact CG-CG1 4.4Å; K690-V716 WeakPolarHBondContact O-CG1 3.22Å; S691-V716 CarbonylContact C-O 3.48Å; S691-V716 WeakPolarHBondContact CA-O 3.36Å; G692-V716 PolarHBondContact N-O 3.41Å; G692-V716 PolarHBondContact O-N 3.06Å; R694-V716 HydrophobicContact CB-CG2 4.4Å; R694-V716 HydrophobicContact CG-CG2 3.95Å; V714-V716 HydrophobicContact CG1-CG2 4.46Å |
| 717 | D | 96.3 | Very high | 90.9 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -82.9 | 156.1 | 179.4 | -68.3 | -53.3 | 0 | 0 | 0 | 112.4 | A630 I631 V632 Y715 | A630-D717 PolarHBondContact O-N 3.39Å; I631-D717 WeakPolarHBondContact CA-O 3.45Å; V632-D717 WeakPolarHBondContact CG2-O 3.38Å; V632-D717 PolarHBondContact N-O 3.02Å; Y715-D717 WeakPolarHBondContact CE1-OD1 3.35Å |
| 718 | F | 90.9 | Very high | 91.1 | Very high | 151 Ų | 151 | 76.8 Ų | 76.8 | 66% | 0.662 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 143 | 164.9 | -73.5 | -79 | 0 | 0 | 0 | 110 | S691 L720 | S691-F718 WeakPolarHBondContact OG-CE2 3.46Å; S691-F718 WeakPolarHBondContact OG-CZ 3.43Å; F718-L720 PolarHBondContact O-N 3.34Å |
| 719 | A | 77.6 | Confident | 91.1 | Very high | 56 Ų | 56 | 82.8 Ų | 82.8 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 121.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | I631 | I631-A719 HydrophobicContact CG2-CB 3.87Š|
| 720 | L | 58.1 | Low | 91 | Very high | 245 Ų | 245 | 87.2 Ų | 87.2 | 100% | 1.283 | 42% | 0.421 | S | S | * | . | trans | -68.7 | 0 | 172.8 | -75.3 | 168.8 | 0 | 0 | 0 | 111.9 | F718 | F718-L720 PolarHBondContact O-N 3.34Š|
Retrieved 720 of 720 residues in 139.7 ms
(Link to these results)