| 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 | 77.8 | Confident | 92.5 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | 0 | -52.4 | 0 | -172.6 | 162.7 | 73.5 | 0 | 0 | 110.5 | E3 L4 L5 V28 V52 D128 | M1-E3 PolarHBondContact O-N 3.45Å; M1-E3 VanDerWaalsContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-L5 HydrophobicContact CE-CD1 4.34Å; M1-L5 HydrophobicContact CG-CD1 3.99Å; M1-L5 HydrophobicContact CG-CD2 4.23Å; M1-L5 HydrophobicContact CG-CG 4.02Å; M1-V28 HydrophobicContact CB-CG1 4.37Å; M1-V28 HydrophobicContact CB-CG2 4.23Å; M1-V28 HydrophobicContact CG-CG1 4.09Å; M1-V28 HydrophobicContact SD-CG1 4.39Å; M1-V52 HydrophobicContact CE-CG2 4.35Å; M1-D128 HydrophobicContact CE-CB 3.53Å; M1-D128 VanDerWaalsContact CE-OD2 3.28Å; M1-D128 WeakPolarHBondContact CE-OD2 3.37Å | |||
| 2 | N | 83.9 | Confident | 92.9 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 31% | 0.305 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -32.1 | -56.9 | 177.2 | -146.4 | -80 | 0 | 0 | 0 | 117.1 | L4 L5 V124 D125 D128 | N2-L4 PolarHBondContact O-N 3.24Å; N2-L5 PolarHBondContact O-N 2.81Å; N2-V124 WeakPolarHBondContact ND2-CG1 3.45Å; N2-D125 PolarHBondContact ND2-O 2.8Å; N2-D128 WeakPolarHBondContact CA-OD1 3.17Å; N2-D128 WeakPolarHBondContact CB-OD1 3.29Å; N2-D128 PolarHBondContact N-OD1 3.45Å; N2-D128 PolarHBondContact ND2-OD1 2.86Å |
| 3 | E | 89.3 | Confident | 93.3 | Very high | 158 Ų | 158 | 45.2 Ų | 45.2 | 74% | 0.738 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -62.4 | -15 | -175.7 | -61.6 | 179.2 | 172.9 | 0 | 0 | 114.7 | M1 Q7 | M1-E3 PolarHBondContact O-N 3.45Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-Q7 WeakPolarHBondContact O-CG 3.44Å |
| 4 | L | 94.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -101.5 | -18.5 | 179.7 | -60.8 | 175.3 | 0 | 0 | 0 | 112.4 | M1 N2 F9 K25 V28 F30 | M1-L4 PolarHBondContact O-N 3.19Å; N2-L4 PolarHBondContact O-N 3.24Å; L4-F9 HydrophobicContact CB-CD1 4.16Å; L4-F9 HydrophobicContact CB-CE1 3.76Å; L4-F9 HydrophobicContact CB-CZ 4.16Å; L4-F9 HydrophobicContact CD2-CB 4.39Å; L4-F9 HydrophobicContact CD2-CD1 3.94Å; L4-F9 HydrophobicContact CD2-CD2 4.15Å; L4-F9 HydrophobicContact CD2-CE1 4.22Å; L4-F9 HydrophobicContact CD2-CE2 4.42Å; L4-F9 HydrophobicContact CD2-CG 3.9Å; L4-F9 HydrophobicContact CD2-CZ 4.45Å; L4-F9 HydrophobicContact CG-CE1 4.49Å; L4-F9 VanDerWaalsContact O-CE1 3.27Å; L4-F9 WeakPolarHBondContact O-CE1 3.29Å; L4-K25 HydrophobicContact CD1-CB 3.95Å; L4-K25 HydrophobicContact CD1-CG 4.11Å; L4-K25 WeakPolarHBondContact CD1-O 3.1Å; L4-K25 HydrophobicContact CD2-CB 4.36Å; L4-K25 HydrophobicContact CD2-CG 3.74Å; L4-V28 HydrophobicContact CD1-CB 4.04Å; L4-V28 HydrophobicContact CD1-CG2 4.21Å; L4-F30 HydrophobicContact CB-CE2 4.27Å; L4-F30 HydrophobicContact CB-CZ 3.82Å; L4-F30 HydrophobicContact CD1-CE2 3.77Å; L4-F30 HydrophobicContact CD1-CZ 4.11Å |
| 5 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 136.7 | -179.2 | -63 | -178.6 | 0 | 0 | 0 | 110.6 | M1 N2 Q7 F30 G50 V52 I69 V124 D128 M130 | M1-L5 HydrophobicContact CE-CD1 4.34Å; M1-L5 HydrophobicContact CG-CD1 3.99Å; M1-L5 HydrophobicContact CG-CD2 4.23Å; M1-L5 HydrophobicContact CG-CG 4.02Å; N2-L5 PolarHBondContact O-N 2.81Å; L5-Q7 PolarHBondContact O-N 2.91Å; L5-F30 HydrophobicContact CD2-CE1 3.97Å; L5-F30 HydrophobicContact CD2-CZ 4.46Å; L5-G50 CarbonylContact C-O 3.56Å; L5-G50 WeakPolarHBondContact CA-O 3.26Å; L5-V52 HydrophobicContact CD1-CG2 3.9Å; L5-V52 HydrophobicContact CD2-CG2 3.83Å; L5-I69 WeakPolarHBondContact O-CD1 3.4Å; L5-V124 HydrophobicContact CB-CG1 4.3Å; L5-V124 HydrophobicContact CB-CG2 3.91Å; L5-V124 HydrophobicContact CD1-CG1 4.29Å; L5-V124 WeakPolarHBondContact O-CG2 3.11Å; L5-D128 HydrophobicContact CD1-CB 3.76Å; L5-D128 WeakPolarHBondContact CD1-O 3.1Å; L5-M130 HydrophobicContact CB-CG 4.36Å; L5-M130 HydrophobicContact CB-SD 4.4Å |
| 6 | G | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 8.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F49 G50 I69 | G6-F49 WeakPolarHBondContact O-CE2 3.41Å; G6-G50 PolarHBondContact N-O 2.9Å; G6-I69 WeakPolarHBondContact O-CG1 3.46Å; G6-I69 PolarHBondContact O-N 3.4Å |
| 7 | Q | 94.8 | Very high | 93.9 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -115.3 | 154.7 | -177.9 | -64.7 | -67.8 | -5.3 | 0 | 0 | 111.1 | E3 L5 F49 G50 I69 | E3-Q7 WeakPolarHBondContact O-CG 3.44Å; L5-Q7 PolarHBondContact O-N 2.91Å; Q7-F49 WeakPolarHBondContact O-CA 3.45Å; Q7-F49 WeakPolarHBondContact O-CD2 3.48Å; Q7-G50 PolarHBondContact O-N 2.84Å; Q7-I69 HydrophobicContact CG-CD1 4.1Å |
| 8 | V | 96.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.5 | 165.3 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | E47 G48 F49 I64 | V8-E47 HydrophobicContact CG1-CG 3.58Å; V8-G48 CarbonylContact C-O 3.59Å; V8-G48 VanDerWaalsContact CA-O 3.26Å; V8-G48 WeakPolarHBondContact CA-O 3.26Å; V8-F49 HydrophobicContact CG2-CD2 4.29Å; V8-I64 HydrophobicContact CG1-CD1 4.03Å; V8-I64 HydrophobicContact CG2-CD1 4.23Å; V8-I64 HydrophobicContact CG2-CG1 4.37Å; V8-I64 HydrophobicContact CG2-CG2 3.71Å |
| 9 | F | 97 | Very high | 93.8 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.4 | 179.3 | 62.4 | -91.7 | 0 | 0 | 0 | 111.9 | L4 K25 F30 E47 G48 F60 | L4-F9 HydrophobicContact CB-CD1 4.16Å; L4-F9 HydrophobicContact CB-CE1 3.76Å; L4-F9 HydrophobicContact CB-CZ 4.16Å; L4-F9 HydrophobicContact CD2-CB 4.39Å; L4-F9 HydrophobicContact CD2-CD1 3.94Å; L4-F9 HydrophobicContact CD2-CD2 4.15Å; L4-F9 HydrophobicContact CD2-CE1 4.22Å; L4-F9 HydrophobicContact CD2-CE2 4.42Å; L4-F9 HydrophobicContact CD2-CG 3.9Å; L4-F9 HydrophobicContact CD2-CZ 4.45Å; L4-F9 HydrophobicContact CG-CE1 4.49Å; L4-F9 VanDerWaalsContact O-CE1 3.27Å; L4-F9 WeakPolarHBondContact O-CE1 3.29Å; F9-K25 HydrophobicContact CD2-CB 4Å; F9-K25 HydrophobicContact CD2-CG 4Å; F9-K25 HydrophobicContact CE2-CB 3.86Å; F9-K25 HydrophobicContact CE2-CG 4.35Å; F9-F30 HydrophobicContact CE1-CZ 4.48Å; F9-F30 HydrophobicContact CE2-CE2 4.42Å; F9-F30 HydrophobicContact CZ-CD2 4.06Å; F9-F30 HydrophobicContact CZ-CE1 4.5Å; F9-F30 AromaticContact CZ-CE2 3.76Å; F9-F30 HydrophobicContact CZ-CE2 3.76Å; F9-F30 HydrophobicContact CZ-CZ 4.01Å; F9-E47 WeakPolarHBondContact O-CA 3.41Å; F9-G48 PolarHBondContact N-O 3.04Å; F9-G48 PolarHBondContact O-N 3.17Å; F9-G48 VanDerWaalsContact O-N 3.07Å; F9-F60 HydrophobicContact CD2-CE2 4.07Å; F9-F60 HydrophobicContact CE1-CD2 4.37Å; F9-F60 HydrophobicContact CE1-CE2 4.47Å; F9-F60 AromaticContact CE2-CD2 3.77Å; F9-F60 HydrophobicContact CE2-CD2 3.77Å; F9-F60 AromaticContact CE2-CE2 3.6Å; F9-F60 HydrophobicContact CE2-CE2 3.6Å; F9-F60 AromaticContact CZ-CD2 3.62Å; F9-F60 HydrophobicContact CZ-CD2 3.62Å; F9-F60 AromaticContact CZ-CE2 3.84Å; F9-F60 HydrophobicContact CZ-CE2 3.84Å |
| 10 | T | 97.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.2 | 169.9 | -42.4 | 0 | 0 | 0 | 0 | 110.5 | K25 V46 | T10-K25 WeakPolarHBondContact O-CD 3.46Å; T10-K25 PolarHBondContact O-NZ 2.87Å; T10-K25 VanDerWaalsContact O-NZ 3.15Å; T10-V46 CarbonylContact C-O 3.53Å; T10-V46 VanDerWaalsContact CA-O 3.31Å; T10-V46 WeakPolarHBondContact CA-O 3.15Å |
| 11 | G | 97.2 | Very high | 94 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 160.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S45 V46 | G11-S45 CarbonylContact O-C 3.58Å; G11-S45 VanDerWaalsContact O-CA 3.32Å; G11-S45 WeakPolarHBondContact O-CA 3.46Å; G11-V46 PolarHBondContact N-O 3.28Å; G11-V46 PolarHBondContact O-N 3.28Å |
| 12 | L | 97.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132 | 179.6 | -176.4 | 70.9 | 0 | 0 | 0 | 110.3 | I14 V23 Q24 G43 | L12-I14 HydrophobicContact CD2-CG2 4.17Å; L12-I14 HydrophobicContact CG-CG2 4.3Å; L12-I14 PolarHBondContact O-N 2.88Å; L12-V23 CarbonylContact O-C 3.56Å; L12-V23 WeakPolarHBondContact O-CA 3.2Å; L12-Q24 PolarHBondContact N-O 3.12Å; L12-Q24 PolarHBondContact O-N 3.11Å; L12-G43 VanDerWaalsContact CD1-O 3.23Å; L12-G43 WeakPolarHBondContact CD1-O 2.81Å |
| 13 | I | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116.7 | 171.2 | -64.2 | 170.8 | 0 | 0 | 0 | 108.6 | Y21 L22 V23 Y40 G43 E44 V46 | I13-Y21 HydrophobicContact CG2-CD1 4.05Å; I13-Y21 HydrophobicContact CG2-CG 4.49Å; I13-L22 WeakPolarHBondContact CA-O 3.34Å; I13-V23 HydrophobicContact CG1-CG2 4.09Å; I13-Y40 HydrophobicContact CD1-CD1 4.02Å; I13-Y40 HydrophobicContact CD1-CD2 4.37Å; I13-Y40 HydrophobicContact CD1-CG 3.63Å; I13-G43 PolarHBondContact O-N 3.18Å; I13-E44 HydrophobicContact CD1-CB 4.48Å; I13-E44 PolarHBondContact N-O 2.75Å; I13-V46 HydrophobicContact CD1-CG1 4.21Å; I13-V46 HydrophobicContact CG1-CG1 4.08Å |
| 14 | I | 97.1 | Very high | 96 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 32% | 0.323 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -21.9 | -175.1 | 57.6 | 160.1 | 0 | 0 | 0 | 113.2 | L12 L22 Q24 T29 | L12-I14 HydrophobicContact CD2-CG2 4.17Å; L12-I14 HydrophobicContact CG-CG2 4.3Å; L12-I14 PolarHBondContact O-N 2.88Å; I14-L22 HydrophobicContact CD1-CB 4.41Å; I14-L22 HydrophobicContact CG1-CB 3.93Å; I14-L22 WeakPolarHBondContact CG1-O 3.42Å; I14-L22 PolarHBondContact N-O 3.15Å; I14-Q24 HydrophobicContact CD1-CB 3.87Å; I14-Q24 HydrophobicContact CG1-CB 4.13Å; I14-Q24 HydrophobicContact CG2-CB 3.8Å; I14-T29 HydrophobicContact CD1-CG2 4.28Å |
| 15 | D | 96.7 | Very high | 96.1 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 165.1 | -175.9 | -158.6 | 1.7 | 0 | 0 | 0 | 110.1 | Y21 L22 | D15-Y21 WeakPolarHBondContact O-CA 3.4Å; D15-L22 HydrophobicContact CB-CB 4.04Å; D15-L22 HydrophobicContact CB-CD1 3.94Å; D15-L22 HydrophobicContact CB-CG 4.19Å; D15-L22 PolarHBondContact O-N 2.93Å |
| 16 | E | 96 | Very high | 96.1 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158 | 175.4 | 69.2 | 176.6 | 146.6 | 0 | 0 | 112.8 | M20 Y21 K34 I42 | E16-M20 CarbonylContact C-O 3.6Å; E16-M20 WeakPolarHBondContact CA-O 3.02Å; E16-Y21 HydrophobicContact CB-CD1 3.68Å; E16-Y21 HydrophobicContact CB-CE1 4.2Å; E16-Y21 VanDerWaalsContact OE2-CE1 3.24Å; E16-Y21 WeakPolarHBondContact OE2-CE1 3.37Å; E16-K34 WeakPolarHBondContact OE2-CE 3.38Å; E16-K34 IonicContact OE2-NZ 2.71Å; E16-K34 PolarHBondContact OE2-NZ 3.03Å; E16-I42 HydrophobicContact CG-CD1 4.31Å; E16-I42 HydrophobicContact CG-CG1 4.39Å |
| 17 | N | 94.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | trans | -135.1 | -170.7 | 166.1 | 65.6 | 34.3 | 0 | 0 | 0 | 110 | M19 M20 K34 | N17-M19 PolarHBondContact O-N 3.41Å; N17-M19 VanDerWaalsContact O-N 3.14Å; N17-M19 PolarHBondContact OD1-N 2.91Å; N17-M20 PolarHBondContact N-O 3.02Å; N17-M20 VanDerWaalsContact OD1-CG 3.24Å; N17-M20 WeakPolarHBondContact OD1-CG 3.34Å; N17-M20 PolarHBondContact OD1-N 3.13Å; N17-M20 PolarHBondContact OD1-O 3.29Å; N17-K34 WeakPolarHBondContact O-CE 3.41Å; N17-K34 PolarHBondContact O-NZ 2.59Å | ||
| 18 | D | 92.1 | Very high | 96.1 | Very high | 163 Ų | 163 | 58.1 Ų | 58.1 | 87% | 0.872 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -59.5 | -26.9 | -177.4 | -61 | -24.6 | 0 | 0 | 0 | 113.9 | ||
| 19 | M | 93.2 | Very high | 96.2 | Very high | 142 Ų | 142 | 58.8 Ų | 58.8 | 70% | 0.7 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -108 | -24.7 | -172.9 | -63.5 | -174.8 | -70.4 | 0 | 0 | 114.3 | N17 K34 | N17-M19 PolarHBondContact O-N 3.41Å; N17-M19 VanDerWaalsContact O-N 3.14Å; N17-M19 PolarHBondContact OD1-N 2.91Å; M19-K34 WeakPolarHBondContact O-CB 3.36Å; M19-K34 PolarHBondContact O-N 3.1Å |
| 20 | M | 94.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 155.3 | -168.3 | 52.6 | 174.1 | -77.3 | 0 | 0 | 113.4 | E16 N17 L22 R31 F32 | E16-M20 CarbonylContact C-O 3.6Å; E16-M20 WeakPolarHBondContact CA-O 3.02Å; N17-M20 PolarHBondContact N-O 3.02Å; N17-M20 VanDerWaalsContact OD1-CG 3.24Å; N17-M20 WeakPolarHBondContact OD1-CG 3.34Å; N17-M20 PolarHBondContact OD1-N 3.13Å; N17-M20 PolarHBondContact OD1-O 3.29Å; M20-L22 HydrophobicContact CE-CD2 3.29Å; M20-L22 HydrophobicContact CE-CG 4.36Å; M20-R31 HydrophobicContact CE-CB 3.4Å; M20-R31 HydrophobicContact CE-CG 3.61Å; M20-R31 HydrophobicContact SD-CB 4.18Å; M20-R31 HydrophobicContact SD-CG 4.43Å; M20-R31 PolarHBondContact SD-NE 3.02Å; M20-R31 PolarHBondContact SD-NH2 3.31Å; M20-F32 CarbonylContact C-O 3.52Å; M20-F32 VanDerWaalsContact CA-O 3.25Å; M20-F32 WeakPolarHBondContact CA-O 3.35Å; M20-F32 VanDerWaalsContact CB-O 3.3Å; M20-F32 WeakPolarHBondContact CB-O 3.39Å |
| 21 | Y | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 157 | 164.1 | -51.5 | -81.8 | 0 | 0 | 0 | 110.6 | I13 D15 E16 F32 K34 S39 Y40 | I13-Y21 HydrophobicContact CG2-CD1 4.05Å; I13-Y21 HydrophobicContact CG2-CG 4.49Å; D15-Y21 WeakPolarHBondContact O-CA 3.4Å; E16-Y21 HydrophobicContact CB-CD1 3.68Å; E16-Y21 HydrophobicContact CB-CE1 4.2Å; E16-Y21 VanDerWaalsContact OE2-CE1 3.24Å; E16-Y21 WeakPolarHBondContact OE2-CE1 3.37Å; Y21-F32 AromaticContact CD2-CD1 3.72Å; Y21-F32 HydrophobicContact CD2-CD1 3.72Å; Y21-F32 HydrophobicContact CD2-CE1 4.05Å; Y21-F32 HydrophobicContact CD2-CG 4.3Å; Y21-F32 HydrophobicContact CG-CD1 4.26Å; Y21-F32 PolarHBondContact N-O 3.26Å; Y21-F32 PolarHBondContact O-N 2.82Å; Y21-K34 HydrophobicContact CD2-CG 3.86Å; Y21-K34 VanDerWaalsContact CE1-CE 3.45Å; Y21-K34 HydrophobicContact CE2-CB 4.38Å; Y21-K34 HydrophobicContact CE2-CD 4.25Å; Y21-K34 HydrophobicContact CE2-CG 3.37Å; Y21-S39 WeakPolarHBondContact OH-CA 3.36Å; Y21-Y40 HydrophobicContact CD2-CD2 4.31Å; Y21-Y40 WeakPolarHBondContact CE1-O 3.38Å; Y21-Y40 AromaticContact CE2-CD2 3.78Å; Y21-Y40 HydrophobicContact CE2-CD2 3.78Å; Y21-Y40 PolarHBondContact OH-N 3.2Å; Y21-Y40 VanDerWaalsContact OH-N 3.09Å |
| 22 | L | 97.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.8 | 165 | -64.3 | -173.2 | 0 | 0 | 0 | 109.4 | I13 I14 D15 M20 T29 F30 | I13-L22 WeakPolarHBondContact CA-O 3.34Å; I14-L22 HydrophobicContact CD1-CB 4.41Å; I14-L22 HydrophobicContact CG1-CB 3.93Å; I14-L22 WeakPolarHBondContact CG1-O 3.42Å; I14-L22 PolarHBondContact N-O 3.15Å; D15-L22 HydrophobicContact CB-CB 4.04Å; D15-L22 HydrophobicContact CB-CD1 3.94Å; D15-L22 HydrophobicContact CB-CG 4.19Å; D15-L22 PolarHBondContact O-N 2.93Å; M20-L22 HydrophobicContact CE-CD2 3.29Å; M20-L22 HydrophobicContact CE-CG 4.36Å; L22-T29 HydrophobicContact CB-CG2 3.9Å; L22-T29 HydrophobicContact CD1-CG2 4.31Å; L22-T29 HydrophobicContact CD2-CG2 4.09Å; L22-T29 HydrophobicContact CG-CG2 4.34Å; L22-F30 WeakPolarHBondContact CA-O 3.39Å |
| 23 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.8 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | L12 I13 T29 F30 F32 V46 F60 | L12-V23 CarbonylContact O-C 3.56Å; L12-V23 WeakPolarHBondContact O-CA 3.2Å; I13-V23 HydrophobicContact CG1-CG2 4.09Å; V23-T29 CarbonylContact O-C 3.57Å; V23-T29 WeakPolarHBondContact O-CA 3.39Å; V23-F30 PolarHBondContact N-O 2.59Å; V23-F30 PolarHBondContact O-N 3.23Å; V23-F32 HydrophobicContact CG2-CB 3.69Å; V23-F32 HydrophobicContact CG2-CD1 3.82Å; V23-F32 HydrophobicContact CG2-CG 4.15Å; V23-V46 HydrophobicContact CG1-CG1 4.22Å; V23-V46 HydrophobicContact CG2-CG1 4Å; V23-F60 HydrophobicContact CB-CB 4.44Å; V23-F60 HydrophobicContact CB-CD1 4.47Å; V23-F60 HydrophobicContact CB-CG 4.25Å; V23-F60 HydrophobicContact CG1-CD1 4.45Å; V23-F60 HydrophobicContact CG1-CD2 4.09Å; V23-F60 HydrophobicContact CG1-CE1 4.49Å; V23-F60 HydrophobicContact CG1-CE2 4.13Å; V23-F60 HydrophobicContact CG1-CG 4.23Å; V23-F60 HydrophobicContact CG1-CZ 4.31Å; V23-F60 HydrophobicContact CG2-CD1 4.03Å; V23-F60 HydrophobicContact CG2-CE1 4.42Å; V23-F60 HydrophobicContact CG2-CG 4.29Å |
| 24 | Q | 97.7 | Very high | 95.7 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.5 | -179.3 | -170.8 | 175.6 | 78.8 | 0 | 0 | 112.2 | L12 I14 V28 T29 | L12-Q24 PolarHBondContact N-O 3.12Å; L12-Q24 PolarHBondContact O-N 3.11Å; I14-Q24 HydrophobicContact CD1-CB 3.87Å; I14-Q24 HydrophobicContact CG1-CB 4.13Å; I14-Q24 HydrophobicContact CG2-CB 3.8Å; Q24-V28 WeakPolarHBondContact CA-O 3.23Å; Q24-T29 PolarHBondContact NE2-OG1 2.95Å |
| 25 | K | 97.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 34% | 0.335 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 134.4 | 169.5 | -176.3 | 63.8 | 167.9 | -153 | 0 | 109.7 | L4 F9 T10 G27 V28 | L4-K25 HydrophobicContact CD1-CB 3.95Å; L4-K25 HydrophobicContact CD1-CG 4.11Å; L4-K25 WeakPolarHBondContact CD1-O 3.1Å; L4-K25 HydrophobicContact CD2-CB 4.36Å; L4-K25 HydrophobicContact CD2-CG 3.74Å; F9-K25 HydrophobicContact CD2-CB 4Å; F9-K25 HydrophobicContact CD2-CG 4Å; F9-K25 HydrophobicContact CE2-CB 3.86Å; F9-K25 HydrophobicContact CE2-CG 4.35Å; T10-K25 WeakPolarHBondContact O-CD 3.46Å; T10-K25 PolarHBondContact O-NZ 2.87Å; T10-K25 VanDerWaalsContact O-NZ 3.15Å; K25-G27 PolarHBondContact O-N 2.83Å; K25-G27 VanDerWaalsContact O-N 3.12Å; K25-V28 PolarHBondContact N-O 3.18Å; K25-V28 PolarHBondContact O-N 2.7Å |
| 26 | N | 94.9 | Very high | 94.7 | Very high | 116 Ų | 116 | 70.9 Ų | 70.9 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 40.5 | 177.7 | -58.9 | -1.2 | 0 | 0 | 0 | 113.3 | V28 | N26-V28 PolarHBondContact O-N 3.45Š|
| 27 | G | 93.8 | Very high | 94 | Very high | 65 Ų | 65 | 74.8 Ų | 74.8 | 67% | 0.67 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -0.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K25 | K25-G27 PolarHBondContact O-N 2.83Å; K25-G27 VanDerWaalsContact O-N 3.12Å |
| 28 | V | 95 | Very high | 93.4 | Very high | 27 Ų | 27 | 73.8 Ų | 73.8 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.8 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | M1 L4 Q24 K25 N26 F30 | M1-V28 HydrophobicContact CB-CG1 4.37Å; M1-V28 HydrophobicContact CB-CG2 4.23Å; M1-V28 HydrophobicContact CG-CG1 4.09Å; M1-V28 HydrophobicContact SD-CG1 4.39Å; L4-V28 HydrophobicContact CD1-CB 4.04Å; L4-V28 HydrophobicContact CD1-CG2 4.21Å; Q24-V28 WeakPolarHBondContact CA-O 3.23Å; K25-V28 PolarHBondContact N-O 3.18Å; K25-V28 PolarHBondContact O-N 2.7Å; N26-V28 PolarHBondContact O-N 3.45Å; V28-F30 HydrophobicContact CB-CE2 3.88Å; V28-F30 HydrophobicContact CB-CZ 4.48Å; V28-F30 HydrophobicContact CG1-CD2 4.12Å; V28-F30 HydrophobicContact CG1-CE2 3.44Å; V28-F30 VanDerWaalsContact CG1-CE2 3.44Å; V28-F30 HydrophobicContact CG1-CZ 3.73Å |
| 29 | T | 97 | Very high | 93.2 | Very high | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.5 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | I14 L22 V23 Q24 | I14-T29 HydrophobicContact CD1-CG2 4.28Å; L22-T29 HydrophobicContact CB-CG2 3.9Å; L22-T29 HydrophobicContact CD1-CG2 4.31Å; L22-T29 HydrophobicContact CD2-CG2 4.09Å; L22-T29 HydrophobicContact CG-CG2 4.34Å; V23-T29 CarbonylContact O-C 3.57Å; V23-T29 WeakPolarHBondContact O-CA 3.39Å; Q24-T29 PolarHBondContact NE2-OG1 2.95Å |
| 30 | F | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.7 | 178.4 | -64.7 | -99.8 | 0 | 0 | 0 | 110.7 | L4 L5 F9 L22 V23 V28 A58 I59 F60 | L4-F30 HydrophobicContact CB-CE2 4.27Å; L4-F30 HydrophobicContact CB-CZ 3.82Å; L4-F30 HydrophobicContact CD1-CE2 3.77Å; L4-F30 HydrophobicContact CD1-CZ 4.11Å; L5-F30 HydrophobicContact CD2-CE1 3.97Å; L5-F30 HydrophobicContact CD2-CZ 4.46Å; F9-F30 HydrophobicContact CE1-CZ 4.48Å; F9-F30 HydrophobicContact CE2-CE2 4.42Å; F9-F30 HydrophobicContact CZ-CD2 4.06Å; F9-F30 HydrophobicContact CZ-CE1 4.5Å; F9-F30 AromaticContact CZ-CE2 3.76Å; F9-F30 HydrophobicContact CZ-CE2 3.76Å; F9-F30 HydrophobicContact CZ-CZ 4.01Å; L22-F30 WeakPolarHBondContact CA-O 3.39Å; V23-F30 PolarHBondContact N-O 2.59Å; V23-F30 PolarHBondContact O-N 3.23Å; V28-F30 HydrophobicContact CB-CE2 3.88Å; V28-F30 HydrophobicContact CB-CZ 4.48Å; V28-F30 HydrophobicContact CG1-CD2 4.12Å; V28-F30 HydrophobicContact CG1-CE2 3.44Å; V28-F30 VanDerWaalsContact CG1-CE2 3.44Å; V28-F30 HydrophobicContact CG1-CZ 3.73Å; F30-A58 CarbonylContact C-O 3.59Å; F30-A58 WeakPolarHBondContact CA-O 3.4Å; F30-A58 HydrophobicContact CD1-CB 3.64Å; F30-A58 HydrophobicContact CE1-CB 3.94Å; F30-A58 HydrophobicContact CG-CB 4.25Å; F30-I59 WeakPolarHBondContact CD1-O 2.97Å; F30-F60 HydrophobicContact CB-CB 3.62Å; F30-F60 HydrophobicContact CG-CB 4.29Å |
| 31 | R | 96.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 73 Ų | 73 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.6 | 172.1 | -47.3 | -174.5 | 77.2 | 134.6 | 10.8 | 108.7 | M20 E57 A58 I59 F60 | M20-R31 HydrophobicContact CE-CB 3.4Å; M20-R31 HydrophobicContact CE-CG 3.61Å; M20-R31 HydrophobicContact SD-CB 4.18Å; M20-R31 HydrophobicContact SD-CG 4.43Å; M20-R31 PolarHBondContact SD-NE 3.02Å; M20-R31 PolarHBondContact SD-NH2 3.31Å; R31-E57 IonicContact CZ-OE1 2.77Å; R31-E57 IonicContact NE-OE1 3.97Å; R31-E57 IonicContact NH1-OE1 3.98Å; R31-E57 PolarHBondContact NH1-OE1 2.98Å; R31-A58 PolarHBondContact N-O 3.11Å; R31-I59 HydrophobicContact CB-CD1 3.88Å; R31-I59 HydrophobicContact CG-CD1 4.35Å; R31-I59 CarbonylContact O-C 3.49Å; R31-I59 WeakPolarHBondContact O-CA 3.29Å; R31-F60 PolarHBondContact O-N 3.49Å |
| 32 | F | 96.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.026 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 107.6 | 176.7 | 175.7 | -151.9 | 0 | 0 | 0 | 109.3 | M20 Y21 V23 Y40 V46 F60 T62 | M20-F32 CarbonylContact C-O 3.52Å; M20-F32 VanDerWaalsContact CA-O 3.25Å; M20-F32 WeakPolarHBondContact CA-O 3.35Å; M20-F32 VanDerWaalsContact CB-O 3.3Å; M20-F32 WeakPolarHBondContact CB-O 3.39Å; Y21-F32 AromaticContact CD2-CD1 3.72Å; Y21-F32 HydrophobicContact CD2-CD1 3.72Å; Y21-F32 HydrophobicContact CD2-CE1 4.05Å; Y21-F32 HydrophobicContact CD2-CG 4.3Å; Y21-F32 HydrophobicContact CG-CD1 4.26Å; Y21-F32 PolarHBondContact N-O 3.26Å; Y21-F32 PolarHBondContact O-N 2.82Å; V23-F32 HydrophobicContact CG2-CB 3.69Å; V23-F32 HydrophobicContact CG2-CD1 3.82Å; V23-F32 HydrophobicContact CG2-CG 4.15Å; F32-Y40 AromaticContact CE1-CD2 3.64Å; F32-Y40 HydrophobicContact CE1-CD2 3.64Å; F32-Y40 AromaticContact CE1-CE2 3.36Å; F32-Y40 HydrophobicContact CE1-CE2 3.36Å; F32-Y40 HydrophobicContact CZ-CD2 4.18Å; F32-Y40 AromaticContact CZ-CE2 3.49Å; F32-Y40 HydrophobicContact CZ-CE2 3.49Å; F32-Y40 VanDerWaalsContact CZ-CE2 3.49Å; F32-V46 HydrophobicContact CE1-CG1 4.46Å; F32-V46 HydrophobicContact CE1-CG2 4.24Å; F32-F60 HydrophobicContact CB-CB 4.22Å; F32-F60 HydrophobicContact CB-CD1 4.15Å; F32-F60 HydrophobicContact CD1-CD1 4.18Å; F32-F60 HydrophobicContact CD2-CD1 4.08Å; F32-F60 VanDerWaalsContact CD2-O 3.3Å; F32-F60 WeakPolarHBondContact CD2-O 3.36Å; F32-F60 AromaticContact CG-CD1 3.89Å; F32-F60 HydrophobicContact CG-CD1 3.89Å; F32-T62 HydrophobicContact CE1-CG2 4.49Å; F32-T62 HydrophobicContact CE2-CG2 3.97Å; F32-T62 HydrophobicContact CZ-CG2 3.59Å |
| 33 | L | 93.9 | Very high | 93.1 | Very high | 104 Ų | 104 | 77.4 Ų | 77.4 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 137.1 | -176.1 | -78.6 | 79.4 | 0 | 0 | 0 | 111 | ||
| 34 | K | 93.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | trans | -67.7 | 137 | 170.7 | -75.3 | 177.5 | 172.9 | -173.6 | 0 | 109.5 | E16 N17 M19 Y21 | E16-K34 WeakPolarHBondContact OE2-CE 3.38Å; E16-K34 IonicContact OE2-NZ 2.71Å; E16-K34 PolarHBondContact OE2-NZ 3.03Å; N17-K34 WeakPolarHBondContact O-CE 3.41Å; N17-K34 PolarHBondContact O-NZ 2.59Å; M19-K34 WeakPolarHBondContact O-CB 3.36Å; M19-K34 PolarHBondContact O-N 3.1Å; Y21-K34 HydrophobicContact CD2-CG 3.86Å; Y21-K34 VanDerWaalsContact CE1-CE 3.45Å; Y21-K34 HydrophobicContact CE2-CB 4.38Å; Y21-K34 HydrophobicContact CE2-CD 4.25Å; Y21-K34 HydrophobicContact CE2-CG 3.37Å | ||
| 35 | T | 89 | Confident | 93 | Very high | 73 Ų | 73 | 81.2 Ų | 81.2 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -111.4 | 157.3 | 169.8 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | D37 T38 | T35-D37 PolarHBondContact O-N 3.21Å; T35-T38 PolarHBondContact O-N 3.15Å |
| 36 | E | 82.4 | Confident | 93 | Very high | 201 Ų | 201 | 77.9 Ų | 77.9 | 94% | 0.939 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.9 | -179.2 | -63.9 | -177.8 | 177.1 | 0 | 0 | 112.4 | ||
| 37 | D | 81.3 | Confident | 93.1 | Very high | 156 Ų | 156 | 78 Ų | 78 | 83% | 0.834 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.4 | -173 | -60 | -50.3 | 0 | 0 | 0 | 114.5 | T35 | T35-D37 PolarHBondContact O-N 3.21Š|
| 38 | T | 82.2 | Confident | 93.3 | Very high | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -140.7 | 123.5 | -170.4 | -40 | 0 | 0 | 0 | 0 | 113 | T35 Y40 | T35-T38 PolarHBondContact O-N 3.15Å; T38-Y40 HydrophobicContact CG2-CD2 4.08Å; T38-Y40 HydrophobicContact CG2-CE1 4.31Å; T38-Y40 HydrophobicContact CG2-CE2 3.32Å; T38-Y40 VanDerWaalsContact CG2-CZ 3.47Å |
| 39 | S | 89.1 | Confident | 93.4 | Very high | 103 Ų | 103 | 73.6 Ų | 73.6 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | trans | -118.9 | 133.6 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | Y21 | Y21-S39 WeakPolarHBondContact OH-CA 3.36Š| ||
| 40 | Y | 93.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 71 Ų | 71 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | trans | -121.6 | 160.3 | 177.8 | -63.5 | -86.4 | 0 | 0 | 0 | 110.1 | I13 Y21 F32 T38 E44 V46 | I13-Y40 HydrophobicContact CD1-CD1 4.02Å; I13-Y40 HydrophobicContact CD1-CD2 4.37Å; I13-Y40 HydrophobicContact CD1-CG 3.63Å; Y21-Y40 HydrophobicContact CD2-CD2 4.31Å; Y21-Y40 WeakPolarHBondContact CE1-O 3.38Å; Y21-Y40 AromaticContact CE2-CD2 3.78Å; Y21-Y40 HydrophobicContact CE2-CD2 3.78Å; Y21-Y40 PolarHBondContact OH-N 3.2Å; Y21-Y40 VanDerWaalsContact OH-N 3.09Å; F32-Y40 AromaticContact CE1-CD2 3.64Å; F32-Y40 HydrophobicContact CE1-CD2 3.64Å; F32-Y40 AromaticContact CE1-CE2 3.36Å; F32-Y40 HydrophobicContact CE1-CE2 3.36Å; F32-Y40 HydrophobicContact CZ-CD2 4.18Å; F32-Y40 AromaticContact CZ-CE2 3.49Å; F32-Y40 HydrophobicContact CZ-CE2 3.49Å; F32-Y40 VanDerWaalsContact CZ-CE2 3.49Å; T38-Y40 HydrophobicContact CG2-CD2 4.08Å; T38-Y40 HydrophobicContact CG2-CE1 4.31Å; T38-Y40 HydrophobicContact CG2-CE2 3.32Å; T38-Y40 VanDerWaalsContact CG2-CZ 3.47Å; Y40-E44 WeakPolarHBondContact CA-OE2 3.31Å; Y40-V46 HydrophobicContact CD1-CB 4.48Å; Y40-V46 HydrophobicContact CE1-CB 4.13Å; Y40-V46 HydrophobicContact CE1-CG2 3.74Å | ||
| 41 | K | 93.6 | Very high | 93.3 | Very high | 159 Ų | 159 | 71.1 Ų | 71.1 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | trans | -107.6 | 150.6 | 176.2 | -64.2 | 179.5 | -176.2 | 175.8 | 0 | 111.8 | G43 E44 | K41-G43 PolarHBondContact O-N 3.16Å; K41-E44 PolarHBondContact N-OE2 2.92Å; K41-E44 WeakPolarHBondContact O-CB 3.43Å; K41-E44 PolarHBondContact O-N 2.93Å | ||
| 42 | I | 96.1 | Very high | 93.2 | Very high | 96 Ų | 96 | 67.5 Ų | 67.5 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 134.5 | 166.7 | -60.4 | 175.9 | 0 | 0 | 0 | 109.3 | E16 E44 | E16-I42 HydrophobicContact CG-CD1 4.31Å; E16-I42 HydrophobicContact CG-CG1 4.39Å; I42-E44 VanDerWaalsContact C-N 3.34Å |
| 43 | G | 96.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -6.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L12 I13 K41 | L12-G43 VanDerWaalsContact CD1-O 3.23Å; L12-G43 WeakPolarHBondContact CD1-O 2.81Å; I13-G43 PolarHBondContact O-N 3.18Å; K41-G43 PolarHBondContact O-N 3.16Å |
| 44 | E | 97 | Very high | 92.9 | Very high | 80 Ų | 80 | 70 Ų | 70 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | trans | -79 | 145.4 | 175.9 | -167.4 | 173.9 | 169.4 | 0 | 0 | 111.6 | I13 Y40 K41 I42 | I13-E44 HydrophobicContact CD1-CB 4.48Å; I13-E44 PolarHBondContact N-O 2.75Å; Y40-E44 WeakPolarHBondContact CA-OE2 3.31Å; K41-E44 PolarHBondContact N-OE2 2.92Å; K41-E44 WeakPolarHBondContact O-CB 3.43Å; K41-E44 PolarHBondContact O-N 2.93Å; I42-E44 VanDerWaalsContact C-N 3.34Å | ||
| 45 | S | 96.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 74.6 Ų | 74.6 | 54% | 0.538 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.1 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | G11 | G11-S45 CarbonylContact O-C 3.58Å; G11-S45 VanDerWaalsContact O-CA 3.32Å; G11-S45 WeakPolarHBondContact O-CA 3.46Å |
| 46 | V | 96.7 | Very high | 92.9 | Very high | 7 Ų | 7 | 80.2 Ų | 80.2 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.1 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 110 | T10 G11 I13 V23 F32 Y40 F60 T62 | T10-V46 CarbonylContact C-O 3.53Å; T10-V46 VanDerWaalsContact CA-O 3.31Å; T10-V46 WeakPolarHBondContact CA-O 3.15Å; G11-V46 PolarHBondContact N-O 3.28Å; G11-V46 PolarHBondContact O-N 3.28Å; I13-V46 HydrophobicContact CD1-CG1 4.21Å; I13-V46 HydrophobicContact CG1-CG1 4.08Å; V23-V46 HydrophobicContact CG1-CG1 4.22Å; V23-V46 HydrophobicContact CG2-CG1 4Å; F32-V46 HydrophobicContact CE1-CG1 4.46Å; F32-V46 HydrophobicContact CE1-CG2 4.24Å; Y40-V46 HydrophobicContact CD1-CB 4.48Å; Y40-V46 HydrophobicContact CE1-CB 4.13Å; Y40-V46 HydrophobicContact CE1-CG2 3.74Å; V46-F60 HydrophobicContact CB-CE1 4.39Å; V46-F60 HydrophobicContact CG1-CE1 3.63Å; V46-F60 HydrophobicContact CG1-CZ 3.89Å; V46-F60 HydrophobicContact CG2-CE1 3.97Å; V46-F60 HydrophobicContact CG2-CZ 4.42Å; V46-F60 WeakPolarHBondContact O-CZ 3.43Å; V46-T62 HydrophobicContact CG2-CG2 3.99Å |
| 47 | E | 97.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 73.2 Ų | 73.2 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136.8 | 172 | -175.8 | 177.5 | 86.5 | 0 | 0 | 110.3 | V8 F9 | V8-E47 HydrophobicContact CG1-CG 3.58Å; F9-E47 WeakPolarHBondContact O-CA 3.41Å |
| 48 | G | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V8 F9 T61 | V8-G48 CarbonylContact C-O 3.59Å; V8-G48 VanDerWaalsContact CA-O 3.26Å; V8-G48 WeakPolarHBondContact CA-O 3.26Å; F9-G48 PolarHBondContact N-O 3.04Å; F9-G48 PolarHBondContact O-N 3.17Å; F9-G48 VanDerWaalsContact O-N 3.07Å; G48-T61 CarbonylContact C-O 3.58Å; G48-T61 VanDerWaalsContact CA-O 3.25Å; G48-T61 WeakPolarHBondContact CA-O 3.48Å |
| 49 | F | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | -174 | -179.5 | -98.1 | 0 | 0 | 0 | 111.3 | G6 Q7 V8 Y51 F60 T61 P65 R68 L92 L122 M130 | G6-F49 WeakPolarHBondContact O-CE2 3.41Å; Q7-F49 WeakPolarHBondContact O-CA 3.45Å; Q7-F49 WeakPolarHBondContact O-CD2 3.48Å; V8-F49 HydrophobicContact CG2-CD2 4.29Å; F49-Y51 AromaticContact CD1-CD1 3.96Å; F49-Y51 HydrophobicContact CD1-CD1 3.96Å; F49-Y51 HydrophobicContact CE1-CD1 4.18Å; F49-Y51 HydrophobicContact CE1-CG 4.34Å; F49-F60 WeakPolarHBondContact O-CA 2.98Å; F49-T61 HydrophobicContact CB-CG2 4.11Å; F49-T61 HydrophobicContact CD1-CG2 4.28Å; F49-T61 PolarHBondContact N-O 3.26Å; F49-T61 PolarHBondContact O-N 2.85Å; F49-P65 HydrophobicContact CD1-CG 4.02Å; F49-P65 HydrophobicContact CE1-CG 3.96Å; F49-P65 HydrophobicContact CG-CG 4.35Å; F49-P65 HydrophobicContact CZ-CG 4.22Å; F49-R68 HydrophobicContact CD2-CG 4.45Å; F49-R68 HydrophobicContact CE2-CG 4.08Å; F49-L92 HydrophobicContact CD1-CD2 4.15Å; F49-L92 HydrophobicContact CE1-CD1 4.14Å; F49-L92 HydrophobicContact CE1-CD2 4.19Å; F49-L122 HydrophobicContact CE2-CD1 4.46Å; F49-L122 HydrophobicContact CZ-CD1 3.92Å; F49-M130 HydrophobicContact CE1-CE 4.2Å; F49-M130 HydrophobicContact CZ-CE 3.88Å |
| 50 | G | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L5 G6 Q7 I59 | L5-G50 CarbonylContact C-O 3.56Å; L5-G50 WeakPolarHBondContact CA-O 3.26Å; G6-G50 PolarHBondContact N-O 2.9Å; Q7-G50 PolarHBondContact O-N 2.84Å; G50-I59 WeakPolarHBondContact CA-O 3.4Å |
| 51 | Y | 96.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 168.4 | 173.8 | 69 | -78.3 | 0 | 0 | 0 | 111.8 | F49 N53 A58 I59 T61 L92 D94 K95 M130 | F49-Y51 AromaticContact CD1-CD1 3.96Å; F49-Y51 HydrophobicContact CD1-CD1 3.96Å; F49-Y51 HydrophobicContact CE1-CD1 4.18Å; F49-Y51 HydrophobicContact CE1-CG 4.34Å; Y51-N53 HydrophobicContact CD2-CB 4.48Å; Y51-N53 HydrophobicContact CE2-CB 3.92Å; Y51-A58 CarbonylContact O-C 3.57Å; Y51-I59 HydrophobicContact CD1-CB 4.06Å; Y51-I59 HydrophobicContact CD1-CG2 4.32Å; Y51-I59 HydrophobicContact CD2-CB 4.43Å; Y51-I59 HydrophobicContact CE1-CB 3.61Å; Y51-I59 HydrophobicContact CE1-CG2 3.46Å; Y51-I59 VanDerWaalsContact CE1-CG2 3.46Å; Y51-I59 HydrophobicContact CE2-CB 4.04Å; Y51-I59 HydrophobicContact CE2-CG1 4.23Å; Y51-I59 HydrophobicContact CE2-CG2 4.41Å; Y51-I59 HydrophobicContact CG-CB 4.46Å; Y51-I59 PolarHBondContact N-O 2.89Å; Y51-I59 PolarHBondContact O-N 3.37Å; Y51-I59 WeakPolarHBondContact OH-CG2 3.34Å; Y51-T61 HydrophobicContact CD1-CG2 4.24Å; Y51-T61 HydrophobicContact CE1-CG2 3.75Å; Y51-L92 HydrophobicContact CD1-CD1 4.24Å; Y51-L92 HydrophobicContact CD1-CD2 4.06Å; Y51-L92 HydrophobicContact CD2-CD1 3.87Å; Y51-L92 HydrophobicContact CE1-CD1 4.46Å; Y51-L92 HydrophobicContact CE1-CD2 3.82Å; Y51-L92 HydrophobicContact CE2-CD1 4.11Å; Y51-L92 HydrophobicContact CG-CD1 3.92Å; Y51-D94 WeakPolarHBondContact CE2-OD1 3.38Å; Y51-D94 VanDerWaalsContact CZ-OD1 3.26Å; Y51-D94 PolarHBondContact OH-OD1 2.6Å; Y51-K95 HydrophobicContact CD2-CB 4.4Å; Y51-K95 HydrophobicContact CD2-CD 3.81Å; Y51-K95 HydrophobicContact CE2-CB 4.17Å; Y51-K95 HydrophobicContact CE2-CD 4.37Å; Y51-M130 VanDerWaalsContact CB-SD 3.55Å |
| 52 | V | 94.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.1 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | M1 L5 E57 K95 | M1-V52 HydrophobicContact CE-CG2 4.35Å; L5-V52 HydrophobicContact CD1-CG2 3.9Å; L5-V52 HydrophobicContact CD2-CG2 3.83Å; V52-E57 CarbonylContact C-O 3.54Å; V52-E57 VanDerWaalsContact CA-O 3.24Å; V52-E57 WeakPolarHBondContact CA-O 3.27Å; V52-K95 WeakPolarHBondContact O-CD 3.28Å; V52-K95 WeakPolarHBondContact O-CE 3.44Å; V52-K95 PolarHBondContact O-NZ 3.03Å |
| 53 | N | 93.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | trans | -75.6 | -179 | -177.9 | 73.7 | 3.9 | 0 | 0 | 0 | 113.7 | Y51 K55 K56 E57 I59 D94 | Y51-N53 HydrophobicContact CD2-CB 4.48Å; Y51-N53 HydrophobicContact CE2-CB 3.92Å; N53-K55 PolarHBondContact O-N 3.2Å; N53-K55 WeakPolarHBondContact OD1-CA 3.49Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 3.36Å; N53-K56 PolarHBondContact O-N 2.83Å; N53-K56 PolarHBondContact OD1-N 2.96Å; N53-E57 PolarHBondContact N-O 2.99Å; N53-E57 PolarHBondContact ND2-OE2 3.04Å; N53-E57 WeakPolarHBondContact OD1-CB 3.38Å; N53-E57 PolarHBondContact OD1-N 3.32Å; N53-I59 HydrophobicContact CB-CG1 3.79Å; N53-D94 WeakPolarHBondContact CB-OD2 3.26Å; N53-D94 PolarHBondContact ND2-OD2 3.45Å | ||
| 54 | Q | 89.8 | Confident | 95.1 | Very high | 149 Ų | 149 | 54.2 Ų | 54.2 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.1 | 177.8 | -70.2 | 177.4 | 46.7 | 0 | 0 | 113.9 | K56 D94 | Q54-K56 VanDerWaalsContact C-N 3.25Å; Q54-K56 PolarHBondContact O-N 3.18Å; Q54-D94 VanDerWaalsContact CG-O 3.29Å; Q54-D94 WeakPolarHBondContact CG-O 3.48Å; Q54-D94 PolarHBondContact NE2-O 3.24Å |
| 55 | K | 91.9 | Very high | 95.1 | Very high | 164 Ų | 164 | 50.6 Ų | 50.6 | 71% | 0.713 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 6.9 | 175.9 | -62.6 | 179.2 | -178.4 | 173.6 | 0 | 113.3 | N53 E57 | N53-K55 PolarHBondContact O-N 3.2Å; N53-K55 WeakPolarHBondContact OD1-CA 3.49Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 3.36Å; K55-E57 VanDerWaalsContact C-N 3.26Å; K55-E57 HydrophobicContact CB-CG 3.99Å; K55-E57 PolarHBondContact O-N 3.21Å |
| 56 | K | 91.9 | Very high | 95.1 | Very high | 191 Ų | 191 | 53 Ų | 53 | 83% | 0.83 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 63.9 | 27.8 | -176 | -53.6 | -179.7 | 179.1 | 178.1 | 0 | 113.7 | N53 Q54 | N53-K56 PolarHBondContact O-N 2.83Å; N53-K56 PolarHBondContact OD1-N 2.96Å; Q54-K56 VanDerWaalsContact C-N 3.25Å; Q54-K56 PolarHBondContact O-N 3.18Å |
| 57 | E | 93.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | trans | -96.2 | 136.9 | 177.2 | -56.1 | 174.7 | 119.3 | 0 | 0 | 109.6 | R31 V52 N53 K55 I59 | R31-E57 IonicContact CZ-OE1 2.77Å; R31-E57 IonicContact NE-OE1 3.97Å; R31-E57 IonicContact NH1-OE1 3.98Å; R31-E57 PolarHBondContact NH1-OE1 2.98Å; V52-E57 CarbonylContact C-O 3.54Å; V52-E57 VanDerWaalsContact CA-O 3.24Å; V52-E57 WeakPolarHBondContact CA-O 3.27Å; N53-E57 PolarHBondContact N-O 2.99Å; N53-E57 PolarHBondContact ND2-OE2 3.04Å; N53-E57 WeakPolarHBondContact OD1-CB 3.38Å; N53-E57 PolarHBondContact OD1-N 3.32Å; K55-E57 VanDerWaalsContact C-N 3.26Å; K55-E57 HydrophobicContact CB-CG 3.99Å; K55-E57 PolarHBondContact O-N 3.21Å; E57-I59 HydrophobicContact CB-CD1 3.86Å; E57-I59 PolarHBondContact O-N 2.98Å | ||
| 58 | A | 95.4 | Very high | 95 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 112.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F30 R31 Y51 | F30-A58 CarbonylContact C-O 3.59Å; F30-A58 WeakPolarHBondContact CA-O 3.4Å; F30-A58 HydrophobicContact CD1-CB 3.64Å; F30-A58 HydrophobicContact CE1-CB 3.94Å; F30-A58 HydrophobicContact CG-CB 4.25Å; R31-A58 PolarHBondContact N-O 3.11Å; Y51-A58 CarbonylContact O-C 3.57Å |
| 59 | I | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.1 | -178 | -53.7 | -53.9 | 0 | 0 | 0 | 110 | F30 R31 G50 Y51 N53 E57 | F30-I59 WeakPolarHBondContact CD1-O 2.97Å; R31-I59 HydrophobicContact CB-CD1 3.88Å; R31-I59 HydrophobicContact CG-CD1 4.35Å; R31-I59 CarbonylContact O-C 3.49Å; R31-I59 WeakPolarHBondContact O-CA 3.29Å; G50-I59 WeakPolarHBondContact CA-O 3.4Å; Y51-I59 HydrophobicContact CD1-CB 4.06Å; Y51-I59 HydrophobicContact CD1-CG2 4.32Å; Y51-I59 HydrophobicContact CD2-CB 4.43Å; Y51-I59 HydrophobicContact CE1-CB 3.61Å; Y51-I59 HydrophobicContact CE1-CG2 3.46Å; Y51-I59 VanDerWaalsContact CE1-CG2 3.46Å; Y51-I59 HydrophobicContact CE2-CB 4.04Å; Y51-I59 HydrophobicContact CE2-CG1 4.23Å; Y51-I59 HydrophobicContact CE2-CG2 4.41Å; Y51-I59 HydrophobicContact CG-CB 4.46Å; Y51-I59 PolarHBondContact N-O 2.89Å; Y51-I59 PolarHBondContact O-N 3.37Å; Y51-I59 WeakPolarHBondContact OH-CG2 3.34Å; N53-I59 HydrophobicContact CB-CG1 3.79Å; E57-I59 HydrophobicContact CB-CD1 3.86Å; E57-I59 PolarHBondContact O-N 2.98Å |
| 60 | F | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | 169.2 | -177 | -86.4 | 0 | 0 | 0 | 108.5 | F9 V23 F30 R31 F32 V46 F49 | F9-F60 HydrophobicContact CD2-CE2 4.07Å; F9-F60 HydrophobicContact CE1-CD2 4.37Å; F9-F60 HydrophobicContact CE1-CE2 4.47Å; F9-F60 AromaticContact CE2-CD2 3.77Å; F9-F60 HydrophobicContact CE2-CD2 3.77Å; F9-F60 AromaticContact CE2-CE2 3.6Å; F9-F60 HydrophobicContact CE2-CE2 3.6Å; F9-F60 AromaticContact CZ-CD2 3.62Å; F9-F60 HydrophobicContact CZ-CD2 3.62Å; F9-F60 AromaticContact CZ-CE2 3.84Å; F9-F60 HydrophobicContact CZ-CE2 3.84Å; V23-F60 HydrophobicContact CB-CB 4.44Å; V23-F60 HydrophobicContact CB-CD1 4.47Å; V23-F60 HydrophobicContact CB-CG 4.25Å; V23-F60 HydrophobicContact CG1-CD1 4.45Å; V23-F60 HydrophobicContact CG1-CD2 4.09Å; V23-F60 HydrophobicContact CG1-CE1 4.49Å; V23-F60 HydrophobicContact CG1-CE2 4.13Å; V23-F60 HydrophobicContact CG1-CG 4.23Å; V23-F60 HydrophobicContact CG1-CZ 4.31Å; V23-F60 HydrophobicContact CG2-CD1 4.03Å; V23-F60 HydrophobicContact CG2-CE1 4.42Å; V23-F60 HydrophobicContact CG2-CG 4.29Å; F30-F60 HydrophobicContact CB-CB 3.62Å; F30-F60 HydrophobicContact CG-CB 4.29Å; R31-F60 PolarHBondContact O-N 3.49Å; F32-F60 HydrophobicContact CB-CB 4.22Å; F32-F60 HydrophobicContact CB-CD1 4.15Å; F32-F60 HydrophobicContact CD1-CD1 4.18Å; F32-F60 HydrophobicContact CD2-CD1 4.08Å; F32-F60 VanDerWaalsContact CD2-O 3.3Å; F32-F60 WeakPolarHBondContact CD2-O 3.36Å; F32-F60 AromaticContact CG-CD1 3.89Å; F32-F60 HydrophobicContact CG-CD1 3.89Å; V46-F60 HydrophobicContact CB-CE1 4.39Å; V46-F60 HydrophobicContact CG1-CE1 3.63Å; V46-F60 HydrophobicContact CG1-CZ 3.89Å; V46-F60 HydrophobicContact CG2-CE1 3.97Å; V46-F60 HydrophobicContact CG2-CZ 4.42Å; V46-F60 WeakPolarHBondContact O-CZ 3.43Å; F49-F60 WeakPolarHBondContact O-CA 2.98Å |
| 61 | T | 95.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.9 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | G48 F49 Y51 I63 L92 | G48-T61 CarbonylContact C-O 3.58Å; G48-T61 VanDerWaalsContact CA-O 3.25Å; G48-T61 WeakPolarHBondContact CA-O 3.48Å; F49-T61 HydrophobicContact CB-CG2 4.11Å; F49-T61 HydrophobicContact CD1-CG2 4.28Å; F49-T61 PolarHBondContact N-O 3.26Å; F49-T61 PolarHBondContact O-N 2.85Å; Y51-T61 HydrophobicContact CD1-CG2 4.24Å; Y51-T61 HydrophobicContact CE1-CG2 3.75Å; T61-I63 VanDerWaalsContact C-N 3.3Å; T61-I63 WeakPolarHBondContact CG2-O 3.48Å; T61-I63 PolarHBondContact OG1-N 2.79Å; T61-I63 VanDerWaalsContact OG1-N 3.11Å; T61-L92 HydrophobicContact CG2-CD2 4.08Å |
| 62 | T | 95 | Very high | 94.8 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -83.2 | -9.8 | 171.1 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | F32 V46 I64 | F32-T62 HydrophobicContact CE1-CG2 4.49Å; F32-T62 HydrophobicContact CE2-CG2 3.97Å; F32-T62 HydrophobicContact CZ-CG2 3.59Å; V46-T62 HydrophobicContact CG2-CG2 3.99Å; T62-I64 PolarHBondContact O-N 3.37Å; T62-I64 VanDerWaalsContact O-N 3.11Å |
| 63 | I | 93.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 62.5 Ų | 62.5 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.5 | 93.2 | 170.6 | -55.5 | 174.3 | 0 | 0 | 0 | 107.6 | T61 P65 | T61-I63 VanDerWaalsContact C-N 3.3Å; T61-I63 WeakPolarHBondContact CG2-O 3.48Å; T61-I63 PolarHBondContact OG1-N 2.79Å; T61-I63 VanDerWaalsContact OG1-N 3.11Å; I63-P65 VanDerWaalsContact O-CD 3.23Å; I63-P65 WeakPolarHBondContact O-CD 3.4Å |
| 64 | I | 95.3 | Very high | 95.2 | Very high | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | trans | -78.1 | 115.6 | -178.3 | -60.5 | 175.5 | 0 | 0 | 0 | 109.6 | V8 T62 | V8-I64 HydrophobicContact CG1-CD1 4.03Å; V8-I64 HydrophobicContact CG2-CD1 4.23Å; V8-I64 HydrophobicContact CG2-CG1 4.37Å; V8-I64 HydrophobicContact CG2-CG2 3.71Å; T62-I64 PolarHBondContact O-N 3.37Å; T62-I64 VanDerWaalsContact O-N 3.11Å | ||
| 65 | P | 96.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | trans | -59.7 | 148.4 | 173.7 | -26.9 | 39.5 | 0 | 0 | 0 | 111.7 | F49 I63 V67 R68 I90 L92 | F49-P65 HydrophobicContact CD1-CG 4.02Å; F49-P65 HydrophobicContact CE1-CG 3.96Å; F49-P65 HydrophobicContact CG-CG 4.35Å; F49-P65 HydrophobicContact CZ-CG 4.22Å; I63-P65 VanDerWaalsContact O-CD 3.23Å; I63-P65 WeakPolarHBondContact O-CD 3.4Å; P65-V67 WeakPolarHBondContact CB-O 3.35Å; P65-R68 WeakPolarHBondContact O-CD 3.37Å; P65-R68 WeakPolarHBondContact O-CG 3.17Å; P65-I90 HydrophobicContact CB-CD1 4.18Å; P65-I90 HydrophobicContact CB-CG1 4.5Å; P65-I90 WeakPolarHBondContact CB-O 3.33Å; P65-I90 HydrophobicContact CG-CD1 4.25Å; P65-L92 HydrophobicContact CG-CD2 3.64Å; P65-L92 HydrophobicContact CG-CG 4.01Å | ||
| 66 | Q | 96.2 | Very high | 95.9 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63.3 | -52.5 | 168.1 | -64.2 | -60.7 | -45 | 0 | 0 | 109.2 | R68 H71 A73 | Q66-R68 PolarHBondContact O-N 2.82Å; Q66-H71 PolarHBondContact O-CD2 3.33Å; Q66-A73 HydrophobicContact CB-CB 3.72Å |
| 67 | V | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -65.2 | 115.3 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | P65 A73 I90 I120 L122 | P65-V67 WeakPolarHBondContact CB-O 3.35Å; V67-A73 HydrophobicContact CG2-CB 3.74Å; V67-A73 WeakPolarHBondContact CG2-O 3.05Å; V67-I90 HydrophobicContact CB-CB 4Å; V67-I90 HydrophobicContact CB-CG2 3.73Å; V67-I90 HydrophobicContact CG1-CG2 3.85Å; V67-I90 HydrophobicContact CG2-CB 4.36Å; V67-I90 HydrophobicContact CG2-CG2 3.91Å; V67-I120 HydrophobicContact CG1-CD1 4.04Å; V67-I120 HydrophobicContact CG1-CG1 3.84Å; V67-I120 WeakPolarHBondContact CG1-O 3.46Å; V67-I120 HydrophobicContact CG2-CG1 4.08Å; V67-L122 HydrophobicContact CG1-CD2 3.68Å; V67-L122 HydrophobicContact CG1-CG 3.81Å | ||
| 68 | R | 94.9 | Very high | 96.4 | Very high | 76 Ų | 76 | 45 Ų | 45 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -141.5 | 171.2 | 179.2 | -63.1 | 172.8 | -71.4 | 172.6 | 1 | 110.3 | F49 P65 Q66 G70 H71 S121 L122 | F49-R68 HydrophobicContact CD2-CG 4.45Å; F49-R68 HydrophobicContact CE2-CG 4.08Å; P65-R68 WeakPolarHBondContact O-CD 3.37Å; P65-R68 WeakPolarHBondContact O-CG 3.17Å; Q66-R68 PolarHBondContact O-N 2.82Å; R68-G70 PolarHBondContact O-N 3.46Å; R68-G70 VanDerWaalsContact O-N 3.09Å; R68-H71 HydrophobicContact CB-CB 4.09Å; R68-H71 PolarHBondContact N-O 2.67Å; R68-H71 VanDerWaalsContact N-O 3.13Å; R68-H71 PolarHBondContact O-N 3.17Å; R68-H71 VanDerWaalsContact O-O 3.06Å; R68-S121 PolarHBondContact O-OG 2.97Å; R68-S121 VanDerWaalsContact O-OG 3.12Å; R68-L122 PolarHBondContact O-N 3.1Å |
| 69 | I | 95.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 120.4 | 172.5 | -63 | 172.3 | 0 | 0 | 0 | 108.8 | L5 G6 Q7 H71 L122 V124 | L5-I69 WeakPolarHBondContact O-CD1 3.4Å; G6-I69 WeakPolarHBondContact O-CG1 3.46Å; G6-I69 PolarHBondContact O-N 3.4Å; Q7-I69 HydrophobicContact CG-CD1 4.1Å; I69-H71 VanDerWaalsContact C-N 3.25Å; I69-H71 PolarHBondContact O-N 2.89Å; I69-L122 HydrophobicContact CG1-CB 3.85Å; I69-V124 HydrophobicContact CD1-CG2 3.98Å |
| 70 | G | 93.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 50 Ų | 50 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -0.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R68 S121 | R68-G70 PolarHBondContact O-N 3.46Å; R68-G70 VanDerWaalsContact O-N 3.09Å; G70-S121 PolarHBondContact N-OG 3.26Å; G70-S121 VanDerWaalsContact N-OG 3.12Å |
| 71 | H | 95.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 55 Ų | 55 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -118.9 | 111.4 | 175.9 | -169.5 | 92.2 | 0 | 0 | 0 | 110.8 | Q66 R68 I69 | Q66-H71 PolarHBondContact O-CD2 3.33Å; R68-H71 HydrophobicContact CB-CB 4.09Å; R68-H71 PolarHBondContact N-O 2.67Å; R68-H71 VanDerWaalsContact N-O 3.13Å; R68-H71 PolarHBondContact O-N 3.17Å; R68-H71 VanDerWaalsContact O-O 3.06Å; I69-H71 VanDerWaalsContact C-N 3.25Å; I69-H71 PolarHBondContact O-N 2.89Å |
| 72 | Y | 97.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | trans | -87.5 | 129.9 | -179.6 | -70.3 | -92.6 | 0 | 0 | 0 | 111.3 | I120 S121 A135 I139 | Y72-I120 WeakPolarHBondContact CA-O 3.33Å; Y72-S121 VanDerWaalsContact CZ-CB 3.45Å; Y72-A135 HydrophobicContact CD1-CB 3.67Å; Y72-A135 HydrophobicContact CE1-CB 3.99Å; Y72-A135 HydrophobicContact CG-CB 4.49Å; Y72-I139 HydrophobicContact CD1-CG2 4.34Å; Y72-I139 HydrophobicContact CD2-CD1 3.8Å; Y72-I139 HydrophobicContact CD2-CG1 4.03Å; Y72-I139 HydrophobicContact CD2-CG2 4.12Å; Y72-I139 HydrophobicContact CE1-CG1 4.33Å; Y72-I139 HydrophobicContact CE2-CD1 3.58Å; Y72-I139 HydrophobicContact CE2-CG1 3.79Å; Y72-I139 HydrophobicContact CG-CG1 4.41Å; Y72-I139 HydrophobicContact CG-CG2 3.92Å | ||
| 73 | A | 97.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 65.3 Ų | 65.3 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 163.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q66 V67 M119 I120 | Q66-A73 HydrophobicContact CB-CB 3.72Å; V67-A73 HydrophobicContact CG2-CB 3.74Å; V67-A73 WeakPolarHBondContact CG2-O 3.05Å; A73-M119 WeakPolarHBondContact O-CA 3.35Å; A73-I120 PolarHBondContact N-O 2.8Å; A73-I120 VanDerWaalsContact N-O 3.12Å; A73-I120 PolarHBondContact O-N 2.93Å |
| 74 | F | 98.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 136.5 | 173.5 | -77.5 | -70.2 | 0 | 0 | 0 | 111.2 | R117 L118 M119 T159 I171 | F74-R117 HydrophobicContact CD1-CB 4.21Å; F74-R117 HydrophobicContact CD1-CG 3.8Å; F74-R117 HydrophobicContact CE1-CG 4.2Å; F74-R117 HydrophobicContact CG-CG 4.44Å; F74-L118 WeakPolarHBondContact CA-O 3.3Å; F74-M119 HydrophobicContact CD1-CB 3.9Å; F74-M119 HydrophobicContact CD2-CE 3.79Å; F74-M119 HydrophobicContact CE1-CB 3.77Å; F74-M119 HydrophobicContact CE1-CE 4.5Å; F74-M119 HydrophobicContact CE2-CE 3.46Å; F74-M119 VanDerWaalsContact CE2-CE 3.46Å; F74-M119 HydrophobicContact CG-CB 4.44Å; F74-M119 HydrophobicContact CG-CE 4.44Å; F74-M119 HydrophobicContact CZ-CB 4.22Å; F74-M119 HydrophobicContact CZ-CE 3.86Å; F74-T159 HydrophobicContact CE1-CG2 3.92Å; F74-I171 HydrophobicContact CE2-CG2 4.41Å; F74-I171 HydrophobicContact CZ-CG2 3.68Å |
| 75 | G | 98.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N89 R117 L118 | G75-N89 WeakPolarHBondContact CA-O 3.23Å; G75-R117 CarbonylContact O-C 3.59Å; G75-R117 VanDerWaalsContact O-CA 3.22Å; G75-R117 WeakPolarHBondContact O-CA 3.41Å; G75-R117 WeakPolarHBondContact O-CB 3.35Å; G75-L118 PolarHBondContact N-O 3.41Å; G75-L118 PolarHBondContact O-N 3.31Å |
| 76 | E | 98.5 | Very high | 97 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.4 | 177.5 | -172.8 | -176.7 | 146.2 | 0 | 0 | 110.3 | T78 V88 N89 D116 | E76-T78 PolarHBondContact O-N 3.17Å; E76-V88 CarbonylContact O-C 3.57Å; E76-V88 WeakPolarHBondContact O-CA 3.31Å; E76-N89 PolarHBondContact O-N 3.46Å; E76-D116 CarbonylContact C-O 3.55Å; E76-D116 WeakPolarHBondContact CA-O 3.23Å |
| 77 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.5 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | V80 F87 V88 P112 K113 K114 G115 D116 L118 | V77-V80 HydrophobicContact CG1-CG2 3.6Å; V77-F87 CarbonylContact C-O 3.52Å; V77-F87 VanDerWaalsContact CA-O 3.24Å; V77-F87 WeakPolarHBondContact CA-O 3.32Å; V77-V88 HydrophobicContact CG2-CG2 4.42Å; V77-P112 HydrophobicContact CG1-CB 4.35Å; V77-P112 HydrophobicContact CG2-CB 3.98Å; V77-K113 WeakPolarHBondContact CB-O 3.31Å; V77-K113 WeakPolarHBondContact CG1-O 3.45Å; V77-K114 CarbonylContact O-C 3.57Å; V77-K114 VanDerWaalsContact O-CA 3.29Å; V77-K114 WeakPolarHBondContact O-CA 3.42Å; V77-G115 PolarHBondContact O-N 3.34Å; V77-D116 HydrophobicContact CB-CB 4.5Å; V77-D116 HydrophobicContact CG2-CB 4.33Å; V77-D116 PolarHBondContact N-O 3.13Å; V77-L118 HydrophobicContact CG2-CD1 3.94Å; V77-L118 HydrophobicContact CG2-CG 3.82Å |
| 78 | T | 98.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -33.8 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | E76 F87 N89 D96 K114 | E76-T78 PolarHBondContact O-N 3.17Å; T78-F87 PolarHBondContact N-O 3.36Å; T78-F87 WeakPolarHBondContact OG1-CB 3.42Å; T78-F87 PolarHBondContact OG1-O 3.33Å; T78-N89 HydrophobicContact CG2-CB 3.64Å; T78-D96 WeakPolarHBondContact CB-OD2 3.4Å; T78-D96 VanDerWaalsContact OG1-CG 3.24Å; T78-D96 PolarHBondContact OG1-OD2 3.49Å; T78-K114 VanDerWaalsContact O-CD 3.26Å; T78-K114 WeakPolarHBondContact O-CD 3.43Å; T78-K114 WeakPolarHBondContact O-CE 3.09Å; T78-K114 WeakPolarHBondContact O-CG 3.43Å |
| 79 | D | 98 | Very high | 97.3 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 161.5 | 179.8 | -165.1 | 19 | 0 | 0 | 0 | 111.2 | F87 | D79-F87 HydrophobicContact CB-CB 4.25Å; D79-F87 HydrophobicContact CB-CD2 4.26Å; D79-F87 HydrophobicContact CB-CG 4.43Å; D79-F87 WeakPolarHBondContact O-CB 3.23Å; D79-F87 PolarHBondContact O-N 3.3Å |
| 80 | V | 98.2 | Very high | 97.3 | Very high | 40 Ų | 40 | 53 Ų | 53 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 120.6 | 179 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | V77 A86 W111 P112 | V77-V80 HydrophobicContact CG1-CG2 3.6Å; V80-A86 HydrophobicContact CG2-CB 4.29Å; V80-W111 HydrophobicContact CG1-CE3 3.5Å; V80-W111 HydrophobicContact CG1-CZ3 4.08Å; V80-P112 HydrophobicContact CG2-CG 4.38Å; V80-P112 WeakPolarHBondContact CG2-O 3.35Å |
| 81 | R | 97.5 | Very high | 97.5 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.6 | 179.4 | -73.5 | -177.1 | 52.5 | 175.8 | -2.1 | 110.9 | D83 L84 G85 F87 | R81-D83 WeakPolarHBondContact CB-OD1 3.47Å; R81-D83 IonicContact CZ-OD1 3.53Å; R81-D83 IonicContact CZ-OD2 3.8Å; R81-D83 IonicContact NE-OD1 2.74Å; R81-D83 PolarHBondContact NE-OD1 2.92Å; R81-D83 IonicContact NE-OD2 3.21Å; R81-D83 IonicContact NH2-OD1 3.86Å; R81-D83 IonicContact NH2-OD2 3.52Å; R81-D83 PolarHBondContact NH2-OD2 3.38Å; R81-D83 PolarHBondContact O-N 3.23Å; R81-D83 VanDerWaalsContact O-N 3.11Å; R81-L84 HydrophobicContact CB-CB 4.28Å; R81-L84 VanDerWaalsContact CZ-CD1 3.45Å; R81-L84 PolarHBondContact O-N 3.39Å; R81-G85 PolarHBondContact N-O 3.04Å; R81-G85 PolarHBondContact O-N 3.27Å; R81-F87 HydrophobicContact CB-CE2 3.95Å; R81-F87 HydrophobicContact CG-CE2 3.85Å |
| 82 | R | 94.6 | Very high | 97.4 | Very high | 187 Ų | 187 | 48.8 Ų | 48.8 | 71% | 0.706 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.2 | -176.2 | -68.2 | 179.9 | 176.9 | 148.6 | -0.4 | 114.5 | ||
| 83 | D | 96.1 | Very high | 97.1 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6.3 | 179.3 | 63.7 | -48.7 | 0 | 0 | 0 | 113.7 | R81 L101 | R81-D83 WeakPolarHBondContact CB-OD1 3.47Å; R81-D83 IonicContact CZ-OD1 3.53Å; R81-D83 IonicContact CZ-OD2 3.8Å; R81-D83 IonicContact NE-OD1 2.74Å; R81-D83 PolarHBondContact NE-OD1 2.92Å; R81-D83 IonicContact NE-OD2 3.21Å; R81-D83 IonicContact NH2-OD1 3.86Å; R81-D83 IonicContact NH2-OD2 3.52Å; R81-D83 PolarHBondContact NH2-OD2 3.38Å; R81-D83 PolarHBondContact O-N 3.23Å; R81-D83 VanDerWaalsContact O-N 3.11Å; D83-L101 WeakPolarHBondContact O-CD2 3.27Å |
| 84 | L | 95.4 | Very high | 96.8 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -41.6 | -177 | -70.1 | 176.4 | 0 | 0 | 0 | 113.8 | R81 F87 V98 S100 L101 | R81-L84 HydrophobicContact CB-CB 4.28Å; R81-L84 VanDerWaalsContact CZ-CD1 3.45Å; R81-L84 PolarHBondContact O-N 3.39Å; L84-F87 HydrophobicContact CB-CE2 4.48Å; L84-F87 HydrophobicContact CD1-CE2 4.46Å; L84-F87 HydrophobicContact CD1-CZ 3.86Å; L84-V98 HydrophobicContact CB-CG1 4.44Å; L84-S100 CarbonylContact O-C 3.58Å; L84-L101 PolarHBondContact O-N 3.15Å |
| 85 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.2 | -147.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R81 V99 | R81-G85 PolarHBondContact N-O 3.04Å; R81-G85 PolarHBondContact O-N 3.27Å; G85-V99 CarbonylContact C-O 3.51Å; G85-V99 VanDerWaalsContact CA-O 3.31Å; G85-V99 WeakPolarHBondContact CA-O 3.12Å |
| 86 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V80 V98 V99 M104 P112 L118 | V80-A86 HydrophobicContact CG2-CB 4.29Å; A86-V98 CarbonylContact O-C 3.6Å; A86-V98 WeakPolarHBondContact O-CA 3.18Å; A86-V99 PolarHBondContact N-O 3.18Å; A86-V99 PolarHBondContact O-N 3.32Å; A86-M104 HydrophobicContact CB-CE 4.04Å; A86-M104 HydrophobicContact CB-SD 4.02Å; A86-P112 HydrophobicContact CB-CG 3.8Å; A86-L118 HydrophobicContact CB-CD1 4.13Å |
| 87 | F | 98.4 | Very high | 96.5 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.2 | 175.1 | -67.3 | -103.5 | 0 | 0 | 0 | 109 | V77 T78 D79 R81 L84 D96 M97 V98 | V77-F87 CarbonylContact C-O 3.52Å; V77-F87 VanDerWaalsContact CA-O 3.24Å; V77-F87 WeakPolarHBondContact CA-O 3.32Å; T78-F87 PolarHBondContact N-O 3.36Å; T78-F87 WeakPolarHBondContact OG1-CB 3.42Å; T78-F87 PolarHBondContact OG1-O 3.33Å; D79-F87 HydrophobicContact CB-CB 4.25Å; D79-F87 HydrophobicContact CB-CD2 4.26Å; D79-F87 HydrophobicContact CB-CG 4.43Å; D79-F87 WeakPolarHBondContact O-CB 3.23Å; D79-F87 PolarHBondContact O-N 3.3Å; R81-F87 HydrophobicContact CB-CE2 3.95Å; R81-F87 HydrophobicContact CG-CE2 3.85Å; L84-F87 HydrophobicContact CB-CE2 4.48Å; L84-F87 HydrophobicContact CD1-CE2 4.46Å; L84-F87 HydrophobicContact CD1-CZ 3.86Å; F87-D96 HydrophobicContact CB-CB 4.07Å; F87-D96 HydrophobicContact CD1-CB 4.3Å; F87-M97 CarbonylContact C-O 3.43Å; F87-M97 WeakPolarHBondContact CA-O 3.47Å; F87-V98 HydrophobicContact CD1-CG2 3.74Å; F87-V98 HydrophobicContact CE1-CG2 3.44Å; F87-V98 VanDerWaalsContact CE1-CG2 3.44Å; F87-V98 HydrophobicContact CG-CG2 4.46Å; F87-V98 HydrophobicContact CZ-CG2 3.92Å |
| 88 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.1 | -172.2 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | E76 V77 I90 M97 V99 L118 I120 | E76-V88 CarbonylContact O-C 3.57Å; E76-V88 WeakPolarHBondContact O-CA 3.31Å; V77-V88 HydrophobicContact CG2-CG2 4.42Å; V88-I90 PolarHBondContact O-N 2.9Å; V88-M97 PolarHBondContact N-O 2.87Å; V88-M97 PolarHBondContact O-N 3.26Å; V88-V99 HydrophobicContact CG2-CG2 3.88Å; V88-L118 HydrophobicContact CG2-CB 4.4Å; V88-L118 HydrophobicContact CG2-CD1 3.86Å; V88-I120 HydrophobicContact CB-CD1 3.95Å; V88-I120 HydrophobicContact CG1-CD1 3.79Å; V88-I120 HydrophobicContact CG1-CG1 4.27Å; V88-I120 HydrophobicContact CG2-CD1 4.45Å |
| 89 | N | 98.2 | Very high | 96.4 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.2 | 173.5 | -177.9 | -0.7 | 0 | 0 | 0 | 110.1 | G75 E76 T78 G91 D96 | G75-N89 WeakPolarHBondContact CA-O 3.23Å; E76-N89 PolarHBondContact O-N 3.46Å; T78-N89 HydrophobicContact CG2-CB 3.64Å; N89-G91 WeakPolarHBondContact OD1-CA 3.31Å; N89-G91 PolarHBondContact OD1-N 3.47Å; N89-D96 WeakPolarHBondContact CA-OD1 3.44Å |
| 90 | I | 97.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | trans | -109.5 | 8.1 | 177.6 | 63.3 | 161.5 | 0 | 0 | 0 | 113.4 | P65 V67 V88 L92 M97 I120 L122 | P65-I90 HydrophobicContact CB-CD1 4.18Å; P65-I90 HydrophobicContact CB-CG1 4.5Å; P65-I90 WeakPolarHBondContact CB-O 3.33Å; P65-I90 HydrophobicContact CG-CD1 4.25Å; V67-I90 HydrophobicContact CB-CB 4Å; V67-I90 HydrophobicContact CB-CG2 3.73Å; V67-I90 HydrophobicContact CG1-CG2 3.85Å; V67-I90 HydrophobicContact CG2-CB 4.36Å; V67-I90 HydrophobicContact CG2-CG2 3.91Å; V88-I90 PolarHBondContact O-N 2.9Å; I90-L92 HydrophobicContact CD1-CD1 3.75Å; I90-L92 HydrophobicContact CD1-CG 4.04Å; I90-L92 HydrophobicContact CG1-CD1 4.09Å; I90-L92 HydrophobicContact CG1-CG 3.99Å; I90-M97 HydrophobicContact CB-CG 4.33Å; I90-M97 HydrophobicContact CD1-CE 3.96Å; I90-M97 HydrophobicContact CD1-CG 3.5Å; I90-M97 VanDerWaalsContact CD1-CG 3.5Å; I90-M97 HydrophobicContact CD1-SD 3.81Å; I90-M97 HydrophobicContact CG1-CE 4.33Å; I90-M97 HydrophobicContact CG1-CG 3.78Å; I90-M97 HydrophobicContact CG2-CB 4.26Å; I90-M97 HydrophobicContact CG2-CG 3.61Å; I90-I120 HydrophobicContact CG2-CD1 3.88Å; I90-L122 HydrophobicContact CD1-CD1 4.23Å; I90-L122 HydrophobicContact CD1-CD2 4.46Å | ||
| 91 | G | 95.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 45 Ų | 45 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 96.6 | 6.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N89 | N89-G91 WeakPolarHBondContact OD1-CA 3.31Å; N89-G91 PolarHBondContact OD1-N 3.47Å |
| 92 | L | 94.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | trans | -84 | 135.1 | 173 | -64.3 | 176.3 | 0 | 0 | 0 | 110.1 | F49 Y51 T61 P65 I90 D94 K95 M97 | F49-L92 HydrophobicContact CD1-CD2 4.15Å; F49-L92 HydrophobicContact CE1-CD1 4.14Å; F49-L92 HydrophobicContact CE1-CD2 4.19Å; Y51-L92 HydrophobicContact CD1-CD1 4.24Å; Y51-L92 HydrophobicContact CD1-CD2 4.06Å; Y51-L92 HydrophobicContact CD2-CD1 3.87Å; Y51-L92 HydrophobicContact CE1-CD1 4.46Å; Y51-L92 HydrophobicContact CE1-CD2 3.82Å; Y51-L92 HydrophobicContact CE2-CD1 4.11Å; Y51-L92 HydrophobicContact CG-CD1 3.92Å; T61-L92 HydrophobicContact CG2-CD2 4.08Å; P65-L92 HydrophobicContact CG-CD2 3.64Å; P65-L92 HydrophobicContact CG-CG 4.01Å; I90-L92 HydrophobicContact CD1-CD1 3.75Å; I90-L92 HydrophobicContact CD1-CG 4.04Å; I90-L92 HydrophobicContact CG1-CD1 4.09Å; I90-L92 HydrophobicContact CG1-CG 3.99Å; L92-D94 PolarHBondContact O-N 2.94Å; L92-K95 HydrophobicContact CB-CB 4.36Å; L92-K95 HydrophobicContact CD1-CB 4.33Å; L92-M97 HydrophobicContact CD1-CE 4.01Å | ||
| 93 | P | 90.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 41.3 Ų | 41.3 | 70% | 0.695 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.1 | -172.4 | 27.2 | -35.2 | 0 | 0 | 0 | 114.2 | ||
| 94 | D | 92.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 20.3 | -172.1 | 66.4 | -16.1 | 0 | 0 | 0 | 112.6 | Y51 N53 Q54 L92 | Y51-D94 WeakPolarHBondContact CE2-OD1 3.38Å; Y51-D94 VanDerWaalsContact CZ-OD1 3.26Å; Y51-D94 PolarHBondContact OH-OD1 2.6Å; N53-D94 WeakPolarHBondContact CB-OD2 3.26Å; N53-D94 PolarHBondContact ND2-OD2 3.45Å; Q54-D94 VanDerWaalsContact CG-O 3.29Å; Q54-D94 WeakPolarHBondContact CG-O 3.48Å; Q54-D94 PolarHBondContact NE2-O 3.24Å; L92-D94 PolarHBondContact O-N 2.94Å |
| 95 | K | 94.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | trans | -161.6 | 127.1 | -178.5 | -167 | -179.9 | 178.7 | -177.6 | 0 | 114.9 | Y51 V52 L92 M97 M130 | Y51-K95 HydrophobicContact CD2-CB 4.4Å; Y51-K95 HydrophobicContact CD2-CD 3.81Å; Y51-K95 HydrophobicContact CE2-CB 4.17Å; Y51-K95 HydrophobicContact CE2-CD 4.37Å; V52-K95 WeakPolarHBondContact O-CD 3.28Å; V52-K95 WeakPolarHBondContact O-CE 3.44Å; V52-K95 PolarHBondContact O-NZ 3.03Å; L92-K95 HydrophobicContact CB-CB 4.36Å; L92-K95 HydrophobicContact CD1-CB 4.33Å; K95-M97 HydrophobicContact CB-CE 4.28Å; K95-M97 HydrophobicContact CD-CE 3.41Å; K95-M97 VanDerWaalsContact CD-CE 3.41Å; K95-M97 HydrophobicContact CG-CE 3.5Å; K95-M97 VanDerWaalsContact CG-CE 3.5Å; K95-M130 PolarHBondContact NZ-SD 2.78Å | ||
| 96 | D | 96.8 | Very high | 96.3 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 149.5 | 162.1 | -65.5 | -31.2 | 0 | 0 | 0 | 111.3 | T78 F87 N89 | T78-D96 WeakPolarHBondContact CB-OD2 3.4Å; T78-D96 VanDerWaalsContact OG1-CG 3.24Å; T78-D96 PolarHBondContact OG1-OD2 3.49Å; F87-D96 HydrophobicContact CB-CB 4.07Å; F87-D96 HydrophobicContact CD1-CB 4.3Å; N89-D96 WeakPolarHBondContact CA-OD1 3.44Å |
| 97 | M | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.7 | 174.2 | -62.4 | -58.9 | 98.3 | 0 | 0 | 110.5 | F87 V88 I90 L92 K95 I120 L122 M130 | F87-M97 CarbonylContact C-O 3.43Å; F87-M97 WeakPolarHBondContact CA-O 3.47Å; V88-M97 PolarHBondContact N-O 2.87Å; V88-M97 PolarHBondContact O-N 3.26Å; I90-M97 HydrophobicContact CB-CG 4.33Å; I90-M97 HydrophobicContact CD1-CE 3.96Å; I90-M97 HydrophobicContact CD1-CG 3.5Å; I90-M97 VanDerWaalsContact CD1-CG 3.5Å; I90-M97 HydrophobicContact CD1-SD 3.81Å; I90-M97 HydrophobicContact CG1-CE 4.33Å; I90-M97 HydrophobicContact CG1-CG 3.78Å; I90-M97 HydrophobicContact CG2-CB 4.26Å; I90-M97 HydrophobicContact CG2-CG 3.61Å; L92-M97 HydrophobicContact CD1-CE 4.01Å; K95-M97 HydrophobicContact CB-CE 4.28Å; K95-M97 HydrophobicContact CD-CE 3.41Å; K95-M97 VanDerWaalsContact CD-CE 3.41Å; K95-M97 HydrophobicContact CG-CE 3.5Å; K95-M97 VanDerWaalsContact CG-CE 3.5Å; M97-I120 HydrophobicContact CB-CD1 4.15Å; M97-L122 HydrophobicContact CB-CD2 4.43Å; M97-L122 HydrophobicContact CG-CD2 3.67Å; M97-L122 HydrophobicContact SD-CD2 3.78Å; M97-M130 HydrophobicContact SD-CB 4.27Å; M97-M130 HydrophobicContact SD-CE 4.16Å |
| 98 | V | 97.7 | Very high | 96 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | L84 A86 F87 W131 G132 | L84-V98 HydrophobicContact CB-CG1 4.44Å; A86-V98 CarbonylContact O-C 3.6Å; A86-V98 WeakPolarHBondContact O-CA 3.18Å; F87-V98 HydrophobicContact CD1-CG2 3.74Å; F87-V98 HydrophobicContact CE1-CG2 3.44Å; F87-V98 VanDerWaalsContact CE1-CG2 3.44Å; F87-V98 HydrophobicContact CG-CG2 4.46Å; F87-V98 HydrophobicContact CZ-CG2 3.92Å; V98-W131 HydrophobicContact CB-CE3 4.16Å; V98-W131 HydrophobicContact CB-CZ3 4.1Å; V98-W131 HydrophobicContact CG1-CE3 4.26Å; V98-W131 HydrophobicContact CG1-CZ3 3.85Å; V98-G132 PolarHBondContact O-N 2.83Å |
| 99 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.5 | 161.9 | -176.5 | 0 | 0 | 0 | 0 | 107 | G85 A86 V88 E103 M104 L118 I120 L134 | G85-V99 CarbonylContact C-O 3.51Å; G85-V99 VanDerWaalsContact CA-O 3.31Å; G85-V99 WeakPolarHBondContact CA-O 3.12Å; A86-V99 PolarHBondContact N-O 3.18Å; A86-V99 PolarHBondContact O-N 3.32Å; V88-V99 HydrophobicContact CG2-CG2 3.88Å; V99-E103 HydrophobicContact CG1-CB 3.82Å; V99-E103 HydrophobicContact CG1-CG 4.13Å; V99-M104 HydrophobicContact CB-CE 3.89Å; V99-M104 HydrophobicContact CG1-CE 3.42Å; V99-M104 VanDerWaalsContact CG1-CE 3.42Å; V99-L118 HydrophobicContact CG2-CD1 4.32Å; V99-I120 HydrophobicContact CG2-CG2 3.77Å; V99-L134 HydrophobicContact CG1-CD1 4.42Å; V99-L134 HydrophobicContact CG1-CD2 4.04Å; V99-L134 HydrophobicContact CG1-CG 3.84Å |
| 100 | S | 97.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 147.2 | -173.7 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | L84 D102 E103 | L84-S100 CarbonylContact O-C 3.58Å; S100-D102 PolarHBondContact O-N 3.39Å; S100-D102 VanDerWaalsContact O-N 3.13Å; S100-D102 PolarHBondContact OG-N 3.25Å; S100-D102 PolarHBondContact OG-OD2 2.94Å; S100-E103 WeakPolarHBondContact O-CB 3.13Å; S100-E103 PolarHBondContact O-N 3.04Å |
| 101 | L | 97.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -54.4 | -25.9 | 168 | 69.7 | 100.2 | 0 | 0 | 0 | 112.9 | D83 L84 E103 M104 W111 | D83-L101 WeakPolarHBondContact O-CD2 3.27Å; L84-L101 PolarHBondContact O-N 3.15Å; L101-E103 PolarHBondContact O-N 3.15Å; L101-M104 WeakPolarHBondContact O-CB 3.38Å; L101-M104 PolarHBondContact O-N 3.37Å; L101-M104 VanDerWaalsContact O-N 3.08Å; L101-W111 HydrophobicContact CB-CH2 3.89Å; L101-W111 HydrophobicContact CB-CZ2 4.47Å |
| 102 | D | 96.8 | Very high | 96 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 68% | 0.684 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.8 | -24 | 177.2 | -53.4 | -49.3 | 0 | 0 | 0 | 112.7 | S100 | S100-D102 PolarHBondContact O-N 3.39Å; S100-D102 VanDerWaalsContact O-N 3.13Å; S100-D102 PolarHBondContact OG-N 3.25Å; S100-D102 PolarHBondContact OG-OD2 2.94Å |
| 103 | E | 96 | Very high | 96.1 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -89 | -7.7 | 176.7 | -58.5 | -64.9 | 155.8 | 0 | 0 | 112 | V99 S100 L101 L134 | V99-E103 HydrophobicContact CG1-CB 3.82Å; V99-E103 HydrophobicContact CG1-CG 4.13Å; S100-E103 WeakPolarHBondContact O-CB 3.13Å; S100-E103 PolarHBondContact O-N 3.04Å; L101-E103 PolarHBondContact O-N 3.15Å; E103-L134 HydrophobicContact CB-CD1 3.83Å; E103-L134 HydrophobicContact CB-CG 4.29Å |
| 104 | M | 96.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.6 | 152.2 | -177.2 | -59.7 | -65.8 | 113.6 | 0 | 0 | 111.3 | A86 V99 L101 W111 P112 | A86-M104 HydrophobicContact CB-CE 4.04Å; A86-M104 HydrophobicContact CB-SD 4.02Å; V99-M104 HydrophobicContact CB-CE 3.89Å; V99-M104 HydrophobicContact CG1-CE 3.42Å; V99-M104 VanDerWaalsContact CG1-CE 3.42Å; L101-M104 WeakPolarHBondContact O-CB 3.38Å; L101-M104 PolarHBondContact O-N 3.37Å; L101-M104 VanDerWaalsContact O-N 3.08Å; M104-W111 HydrophobicContact CB-CD2 3.83Å; M104-W111 HydrophobicContact CB-CE3 4.37Å; M104-W111 HydrophobicContact CB-CG 4.25Å; M104-W111 HydrophobicContact CB-CH2 4.17Å; M104-W111 HydrophobicContact CB-CZ2 3.57Å; M104-W111 HydrophobicContact CG-CD2 3.97Å; M104-W111 HydrophobicContact CG-CE3 4.02Å; M104-W111 HydrophobicContact CG-CH2 4.01Å; M104-W111 HydrophobicContact CG-CZ2 3.93Å; M104-W111 HydrophobicContact CG-CZ3 4.04Å; M104-W111 HydrophobicContact SD-CD2 4.46Å; M104-W111 HydrophobicContact SD-CE3 4.45Å; M104-P112 HydrophobicContact SD-CG 4.08Å |
| 105 | P | 95.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | trans | -56.8 | 146.9 | 173.3 | -26.2 | 36.7 | 0 | 0 | 0 | 112.4 | M107 L110 W111 L163 L191 | P105-M107 PolarHBondContact O-N 2.81Å; P105-L110 HydrophobicContact CB-CB 3.94Å; P105-L110 HydrophobicContact CG-CB 4.22Å; P105-W111 PolarHBondContact O-NE1 3.17Å; P105-L163 HydrophobicContact CB-CD1 4.38Å; P105-L163 HydrophobicContact CG-CD1 3.85Å; P105-L191 HydrophobicContact CG-CB 4.14Å; P105-L191 HydrophobicContact CG-CD2 4.44Å | ||
| 106 | S | 94.3 | Very high | 97 | Very high | 130 Ų | 130 | 61.3 Ų | 61.3 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -62.6 | -32.6 | 178.2 | -48.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 107 | M | 94.6 | Very high | 97.1 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -83.1 | 119.7 | 174.1 | -66.4 | 177.6 | -176.7 | 0 | 0 | 109.9 | P105 E109 L110 | P105-M107 PolarHBondContact O-N 2.81Å; M107-E109 VanDerWaalsContact C-N 3.3Å; M107-E109 HydrophobicContact CB-CG 4.33Å; M107-E109 PolarHBondContact O-N 2.86Å; M107-L110 HydrophobicContact CB-CB 4.43Å; M107-L110 HydrophobicContact CB-CD1 3.99Å; M107-L110 HydrophobicContact CB-CG 4.03Å; M107-L110 WeakPolarHBondContact O-CB 3.45Å; M107-L110 PolarHBondContact O-N 2.93Å; M107-L110 VanDerWaalsContact O-N 3.08Å; M107-L110 HydrophobicContact SD-CD1 4.07Å |
| 108 | K | 94.4 | Very high | 97.1 | Very high | 124 Ų | 124 | 62 Ų | 62 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -70.2 | -27.2 | -172 | -69.2 | 177.7 | -179.1 | 171.8 | 0 | 113.2 | L110 W111 | K108-L110 PolarHBondContact O-N 3.08Å; K108-W111 WeakPolarHBondContact O-CB 3.46Å; K108-W111 PolarHBondContact O-N 3.3Å |
| 109 | E | 95.2 | Very high | 97.2 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -65.3 | -21 | 173.1 | 59 | -91.4 | -136.9 | 0 | 0 | 112.8 | M107 | M107-E109 VanDerWaalsContact C-N 3.3Å; M107-E109 HydrophobicContact CB-CG 4.33Å; M107-E109 PolarHBondContact O-N 2.86Å |
| 110 | L | 97.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -94.9 | 1.8 | 177 | -58.6 | -176.9 | 0 | 0 | 0 | 113.3 | P105 M107 K108 L163 E188 R190 L191 | P105-L110 HydrophobicContact CB-CB 3.94Å; P105-L110 HydrophobicContact CG-CB 4.22Å; M107-L110 HydrophobicContact CB-CB 4.43Å; M107-L110 HydrophobicContact CB-CD1 3.99Å; M107-L110 HydrophobicContact CB-CG 4.03Å; M107-L110 WeakPolarHBondContact O-CB 3.45Å; M107-L110 PolarHBondContact O-N 2.93Å; M107-L110 VanDerWaalsContact O-N 3.08Å; M107-L110 HydrophobicContact SD-CD1 4.07Å; K108-L110 PolarHBondContact O-N 3.08Å; L110-L163 HydrophobicContact CB-CD1 3.73Å; L110-L163 HydrophobicContact CD1-CD1 3.98Å; L110-L163 HydrophobicContact CG-CD1 4.31Å; L110-E188 HydrophobicContact CD1-CG 4.16Å; L110-E188 HydrophobicContact CD2-CB 4.06Å; L110-E188 HydrophobicContact CD2-CG 3.8Å; L110-R190 WeakPolarHBondContact O-CB 3.18Å; L110-L191 PolarHBondContact O-N 2.99Å |
| 111 | W | 98.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -66.5 | 150.4 | 170.5 | -74 | 30.5 | 0 | 0 | 0 | 110 | V80 L101 M104 P105 K108 R190 | V80-W111 HydrophobicContact CG1-CE3 3.5Å; V80-W111 HydrophobicContact CG1-CZ3 4.08Å; L101-W111 HydrophobicContact CB-CH2 3.89Å; L101-W111 HydrophobicContact CB-CZ2 4.47Å; M104-W111 HydrophobicContact CB-CD2 3.83Å; M104-W111 HydrophobicContact CB-CE3 4.37Å; M104-W111 HydrophobicContact CB-CG 4.25Å; M104-W111 HydrophobicContact CB-CH2 4.17Å; M104-W111 HydrophobicContact CB-CZ2 3.57Å; M104-W111 HydrophobicContact CG-CD2 3.97Å; M104-W111 HydrophobicContact CG-CE3 4.02Å; M104-W111 HydrophobicContact CG-CH2 4.01Å; M104-W111 HydrophobicContact CG-CZ2 3.93Å; M104-W111 HydrophobicContact CG-CZ3 4.04Å; M104-W111 HydrophobicContact SD-CD2 4.46Å; M104-W111 HydrophobicContact SD-CE3 4.45Å; P105-W111 PolarHBondContact O-NE1 3.17Å; K108-W111 WeakPolarHBondContact O-CB 3.46Å; K108-W111 PolarHBondContact O-N 3.3Å; W111-R190 WeakPolarHBondContact O-CD 3.44Å |
| 112 | P | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -56.5 | 161.5 | 171.1 | 25.6 | -34.8 | 0 | 0 | 0 | 111.4 | V77 V80 A86 M104 D116 L118 L191 | V77-P112 HydrophobicContact CG1-CB 4.35Å; V77-P112 HydrophobicContact CG2-CB 3.98Å; V80-P112 HydrophobicContact CG2-CG 4.38Å; V80-P112 WeakPolarHBondContact CG2-O 3.35Å; A86-P112 HydrophobicContact CB-CG 3.8Å; M104-P112 HydrophobicContact SD-CG 4.08Å; P112-D116 HydrophobicContact CB-CB 4.3Å; P112-L118 HydrophobicContact CG-CD1 4.3Å; P112-L191 VanDerWaalsContact CA-O 3.25Å; P112-L191 WeakPolarHBondContact CA-O 3.42Å; P112-L191 VanDerWaalsContact CB-O 3.32Å; P112-L191 WeakPolarHBondContact CB-O 3.24Å | ||
| 113 | K | 98.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | trans | -121.3 | 164.2 | 171.7 | -66.9 | 179.4 | -174.3 | 172.8 | 0 | 109.6 | V77 G115 D116 | V77-K113 WeakPolarHBondContact CB-O 3.31Å; V77-K113 WeakPolarHBondContact CG1-O 3.45Å; K113-G115 PolarHBondContact O-N 3.17Å; K113-D116 PolarHBondContact N-OD2 2.88Å; K113-D116 VanDerWaalsContact O-CB 3.23Å; K113-D116 WeakPolarHBondContact O-CB 3.36Å; K113-D116 PolarHBondContact O-N 2.84Å | ||
| 114 | K | 98.2 | Very high | 97.1 | Very high | 160 Ų | 160 | 54.8 Ų | 54.8 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 131.6 | 171.5 | -176.6 | 173.3 | -173.4 | 170.2 | 0 | 110.9 | V77 T78 D116 | V77-K114 CarbonylContact O-C 3.57Å; V77-K114 VanDerWaalsContact O-CA 3.29Å; V77-K114 WeakPolarHBondContact O-CA 3.42Å; T78-K114 VanDerWaalsContact O-CD 3.26Å; T78-K114 WeakPolarHBondContact O-CD 3.43Å; T78-K114 WeakPolarHBondContact O-CE 3.09Å; T78-K114 WeakPolarHBondContact O-CG 3.43Å; K114-D116 VanDerWaalsContact C-N 3.34Å |
| 115 | G | 98.2 | Very high | 97 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -10.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V77 K113 | V77-G115 PolarHBondContact O-N 3.34Å; K113-G115 PolarHBondContact O-N 3.17Å |
| 116 | D | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | trans | -68.9 | 170.7 | 164.9 | -68.8 | -23 | 0 | 0 | 0 | 109.9 | E76 V77 P112 K113 K114 R190 G192 | E76-D116 CarbonylContact C-O 3.55Å; E76-D116 WeakPolarHBondContact CA-O 3.23Å; V77-D116 HydrophobicContact CB-CB 4.5Å; V77-D116 HydrophobicContact CG2-CB 4.33Å; V77-D116 PolarHBondContact N-O 3.13Å; P112-D116 HydrophobicContact CB-CB 4.3Å; K113-D116 PolarHBondContact N-OD2 2.88Å; K113-D116 VanDerWaalsContact O-CB 3.23Å; K113-D116 WeakPolarHBondContact O-CB 3.36Å; K113-D116 PolarHBondContact O-N 2.84Å; K114-D116 VanDerWaalsContact C-N 3.34Å; D116-R190 IonicContact OD1-CZ 3.93Å; D116-R190 IonicContact OD1-NE 3.98Å; D116-R190 IonicContact OD1-NH2 2.59Å; D116-R190 PolarHBondContact OD1-NH2 3.42Å; D116-R190 IonicContact OD2-CZ 3.16Å; D116-R190 IonicContact OD2-NE 3.83Å; D116-R190 PolarHBondContact OD2-NE 3.22Å; D116-R190 IonicContact OD2-NH2 3.69Å; D116-R190 PolarHBondContact OD2-NH2 2.93Å; D116-G192 WeakPolarHBondContact CB-O 3.41Å | ||
| 117 | R | 98.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142 | 177.4 | 65.9 | -178.3 | -172.6 | -167.8 | -7.1 | 112.3 | F74 G75 T159 D173 G192 V194 | F74-R117 HydrophobicContact CD1-CB 4.21Å; F74-R117 HydrophobicContact CD1-CG 3.8Å; F74-R117 HydrophobicContact CE1-CG 4.2Å; F74-R117 HydrophobicContact CG-CG 4.44Å; G75-R117 CarbonylContact O-C 3.59Å; G75-R117 VanDerWaalsContact O-CA 3.22Å; G75-R117 WeakPolarHBondContact O-CA 3.41Å; G75-R117 WeakPolarHBondContact O-CB 3.35Å; R117-T159 HydrophobicContact CG-CG2 4.05Å; R117-T159 PolarHBondContact NE-OG1 3.36Å; R117-T159 PolarHBondContact NH2-OG1 3.13Å; R117-T159 WeakPolarHBondContact O-CG2 3.1Å; R117-D173 IonicContact CZ-OD1 3.41Å; R117-D173 IonicContact NH1-OD1 3.58Å; R117-D173 PolarHBondContact NH1-OD1 2.69Å; R117-D173 IonicContact NH2-OD1 2.79Å; R117-D173 PolarHBondContact NH2-OD1 3.45Å; R117-G192 PolarHBondContact N-O 3.28Å; R117-G192 WeakPolarHBondContact O-CA 3.19Å; R117-V194 HydrophobicContact CG-CG2 4.02Å |
| 118 | L | 98.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136 | 178.5 | -61.6 | 176.1 | 0 | 0 | 0 | 109.3 | F74 G75 V77 A86 V88 V99 P112 I120 L134 L191 | F74-L118 WeakPolarHBondContact CA-O 3.3Å; G75-L118 PolarHBondContact N-O 3.41Å; G75-L118 PolarHBondContact O-N 3.31Å; V77-L118 HydrophobicContact CG2-CD1 3.94Å; V77-L118 HydrophobicContact CG2-CG 3.82Å; A86-L118 HydrophobicContact CB-CD1 4.13Å; V88-L118 HydrophobicContact CG2-CB 4.4Å; V88-L118 HydrophobicContact CG2-CD1 3.86Å; V99-L118 HydrophobicContact CG2-CD1 4.32Å; P112-L118 HydrophobicContact CG-CD1 4.3Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; L118-L134 HydrophobicContact CB-CD2 4.21Å; L118-L134 HydrophobicContact CD1-CD2 4.14Å; L118-L134 HydrophobicContact CD2-CD2 4.26Å; L118-L134 HydrophobicContact CG-CD2 4.44Å; L118-L191 HydrophobicContact CD2-CD1 4.39Å; L118-L191 HydrophobicContact CD2-CD2 4.18Å; L118-L191 HydrophobicContact CD2-CG 3.8Å |
| 119 | M | 98.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.4 | 168.8 | -175.5 | 174.7 | -80.8 | 0 | 0 | 108.5 | A73 F74 A135 I139 F140 L143 | A73-M119 WeakPolarHBondContact O-CA 3.35Å; F74-M119 HydrophobicContact CD1-CB 3.9Å; F74-M119 HydrophobicContact CD2-CE 3.79Å; F74-M119 HydrophobicContact CE1-CB 3.77Å; F74-M119 HydrophobicContact CE1-CE 4.5Å; F74-M119 HydrophobicContact CE2-CE 3.46Å; F74-M119 VanDerWaalsContact CE2-CE 3.46Å; F74-M119 HydrophobicContact CG-CB 4.44Å; F74-M119 HydrophobicContact CG-CE 4.44Å; F74-M119 HydrophobicContact CZ-CB 4.22Å; F74-M119 HydrophobicContact CZ-CE 3.86Å; M119-A135 HydrophobicContact CB-CB 4.01Å; M119-A135 HydrophobicContact CG-CB 3.78Å; M119-A135 PolarHBondContact O-N 3Å; M119-A135 HydrophobicContact SD-CB 3.96Å; M119-I139 HydrophobicContact SD-CG2 4.18Å; M119-F140 HydrophobicContact CB-CE1 4.19Å; M119-F140 HydrophobicContact CB-CZ 3.94Å; M119-F140 HydrophobicContact CE-CE1 4.41Å; M119-F140 HydrophobicContact SD-CD1 4.37Å; M119-F140 HydrophobicContact SD-CE1 3.79Å; M119-F140 HydrophobicContact SD-CZ 4.17Å; M119-L143 HydrophobicContact CE-CD1 3.58Å; M119-L143 HydrophobicContact SD-CD1 3.5Å; M119-L143 VanDerWaalsContact SD-CD1 3.5Å |
| 120 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.4 | -175.7 | 59.5 | 159.8 | 0 | 0 | 0 | 111.9 | V67 Y72 A73 V88 I90 M97 V99 L118 V133 L134 | V67-I120 HydrophobicContact CG1-CD1 4.04Å; V67-I120 HydrophobicContact CG1-CG1 3.84Å; V67-I120 WeakPolarHBondContact CG1-O 3.46Å; V67-I120 HydrophobicContact CG2-CG1 4.08Å; Y72-I120 WeakPolarHBondContact CA-O 3.33Å; A73-I120 PolarHBondContact N-O 2.8Å; A73-I120 VanDerWaalsContact N-O 3.12Å; A73-I120 PolarHBondContact O-N 2.93Å; V88-I120 HydrophobicContact CB-CD1 3.95Å; V88-I120 HydrophobicContact CG1-CD1 3.79Å; V88-I120 HydrophobicContact CG1-CG1 4.27Å; V88-I120 HydrophobicContact CG2-CD1 4.45Å; I90-I120 HydrophobicContact CG2-CD1 3.88Å; M97-I120 HydrophobicContact CB-CD1 4.15Å; V99-I120 HydrophobicContact CG2-CG2 3.77Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; I120-V133 CarbonylContact C-O 3.47Å; I120-V133 WeakPolarHBondContact CA-O 3.41Å; I120-V133 WeakPolarHBondContact CB-O 3.5Å; I120-L134 HydrophobicContact CG2-CD2 3.97Å |
| 121 | S | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 178.8 | 161.5 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | R68 G70 Y72 G132 V133 | R68-S121 PolarHBondContact O-OG 2.97Å; R68-S121 VanDerWaalsContact O-OG 3.12Å; G70-S121 PolarHBondContact N-OG 3.26Å; G70-S121 VanDerWaalsContact N-OG 3.12Å; Y72-S121 VanDerWaalsContact CZ-CB 3.45Å; S121-G132 CarbonylContact O-C 3.54Å; S121-G132 WeakPolarHBondContact O-CA 3.25Å; S121-V133 PolarHBondContact N-O 3.34Å; S121-V133 PolarHBondContact O-N 3.26Å |
| 122 | L | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 152.1 | 176.2 | -54.6 | -179.3 | 0 | 0 | 0 | 111.9 | F49 V67 R68 I69 I90 M97 M130 W131 | F49-L122 HydrophobicContact CE2-CD1 4.46Å; F49-L122 HydrophobicContact CZ-CD1 3.92Å; V67-L122 HydrophobicContact CG1-CD2 3.68Å; V67-L122 HydrophobicContact CG1-CG 3.81Å; R68-L122 PolarHBondContact O-N 3.1Å; I69-L122 HydrophobicContact CG1-CB 3.85Å; I90-L122 HydrophobicContact CD1-CD1 4.23Å; I90-L122 HydrophobicContact CD1-CD2 4.46Å; M97-L122 HydrophobicContact CB-CD2 4.43Å; M97-L122 HydrophobicContact CG-CD2 3.67Å; M97-L122 HydrophobicContact SD-CD2 3.78Å; L122-M130 HydrophobicContact CD1-CE 3.74Å; L122-W131 WeakPolarHBondContact CA-O 3.38Å |
| 123 | R | 96.3 | Very high | 96.3 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.6 | 159.9 | 68.1 | -178.9 | 176.8 | 122.9 | -4.2 | 110.2 | M130 W131 V133 | R123-M130 WeakPolarHBondContact O-CA 3.19Å; R123-W131 HydrophobicContact CG-CB 3.92Å; R123-W131 PolarHBondContact N-O 2.81Å; R123-W131 PolarHBondContact O-N 3.42Å; R123-V133 HydrophobicContact CB-CG2 3.87Å; R123-V133 HydrophobicContact CG-CG2 3.52Å |
| 124 | V | 95.7 | Very high | 96.3 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 17% | 0.17 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.9 | 172 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | N2 L5 I69 R129 M130 | N2-V124 WeakPolarHBondContact ND2-CG1 3.45Å; L5-V124 HydrophobicContact CB-CG1 4.3Å; L5-V124 HydrophobicContact CB-CG2 3.91Å; L5-V124 HydrophobicContact CD1-CG1 4.29Å; L5-V124 WeakPolarHBondContact O-CG2 3.11Å; I69-V124 HydrophobicContact CD1-CG2 3.98Å; V124-R129 WeakPolarHBondContact CA-O 3.29Å; V124-M130 HydrophobicContact CG2-CG 4.07Å |
| 125 | D | 93.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | trans | -89.9 | 173 | 175.1 | 72.6 | 18.8 | 0 | 0 | 0 | 112.4 | N2 K127 D128 R129 W131 | N2-D125 PolarHBondContact ND2-O 2.8Å; D125-K127 PolarHBondContact O-N 3.36Å; D125-K127 WeakPolarHBondContact OD1-CA 3.34Å; D125-K127 WeakPolarHBondContact OD1-CB 3.2Å; D125-K127 PolarHBondContact OD1-N 3.42Å; D125-D128 PolarHBondContact O-N 2.63Å; D125-D128 PolarHBondContact OD1-N 3.39Å; D125-R129 PolarHBondContact N-O 2.75Å; D125-R129 WeakPolarHBondContact OD1-CB 3.25Å; D125-R129 PolarHBondContact OD1-N 2.75Å; D125-R129 IonicContact OD1-NE 3.84Å; D125-R129 IonicContact OD2-CZ 3.59Å; D125-R129 IonicContact OD2-NE 2.71Å; D125-R129 PolarHBondContact OD2-NE 3.36Å; D125-R129 IonicContact OD2-NH2 3.66Å; D125-R129 PolarHBondContact OD2-NH2 3.07Å; D125-W131 PolarHBondContact OD2-NE1 3.29Å | ||
| 126 | E | 93 | Very high | 96.1 | Very high | 195 Ų | 195 | 48.3 Ų | 48.3 | 91% | 0.911 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.2 | -179.2 | -61 | 177.3 | 175.3 | 0 | 0 | 114.3 | D128 | E126-D128 VanDerWaalsContact C-N 3.33Š|
| 127 | K | 91.6 | Very high | 95.9 | Very high | 161 Ų | 161 | 51 Ų | 51 | 70% | 0.7 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 18.3 | 176.7 | -61.8 | -176.8 | 179.5 | 179.4 | 0 | 111.8 | D125 R129 | D125-K127 PolarHBondContact O-N 3.36Å; D125-K127 WeakPolarHBondContact OD1-CA 3.34Å; D125-K127 WeakPolarHBondContact OD1-CB 3.2Å; D125-K127 PolarHBondContact OD1-N 3.42Å; K127-R129 HydrophobicContact CB-CG 4.36Å; K127-R129 PolarHBondContact O-N 2.9Å |
| 128 | D | 90 | Very high | 95.8 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 59.3 | 26.5 | -179.3 | -63.7 | -41.7 | 0 | 0 | 0 | 113.7 | M1 N2 L5 D125 E126 | M1-D128 HydrophobicContact CE-CB 3.53Å; M1-D128 VanDerWaalsContact CE-OD2 3.28Å; M1-D128 WeakPolarHBondContact CE-OD2 3.37Å; N2-D128 WeakPolarHBondContact CA-OD1 3.17Å; N2-D128 WeakPolarHBondContact CB-OD1 3.29Å; N2-D128 PolarHBondContact N-OD1 3.45Å; N2-D128 PolarHBondContact ND2-OD1 2.86Å; L5-D128 HydrophobicContact CD1-CB 3.76Å; L5-D128 WeakPolarHBondContact CD1-O 3.1Å; D125-D128 PolarHBondContact O-N 2.63Å; D125-D128 PolarHBondContact OD1-N 3.39Å; E126-D128 VanDerWaalsContact C-N 3.33Å |
| 129 | R | 92 | Very high | 95.7 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | trans | -92.7 | 132.1 | 175.2 | -56 | 176.3 | -65.9 | 174.4 | 5 | 110 | V124 D125 K127 | V124-R129 WeakPolarHBondContact CA-O 3.29Å; D125-R129 PolarHBondContact N-O 2.75Å; D125-R129 WeakPolarHBondContact OD1-CB 3.25Å; D125-R129 PolarHBondContact OD1-N 2.75Å; D125-R129 IonicContact OD1-NE 3.84Å; D125-R129 IonicContact OD2-CZ 3.59Å; D125-R129 IonicContact OD2-NE 2.71Å; D125-R129 PolarHBondContact OD2-NE 3.36Å; D125-R129 IonicContact OD2-NH2 3.66Å; D125-R129 PolarHBondContact OD2-NH2 3.07Å; K127-R129 HydrophobicContact CB-CG 4.36Å; K127-R129 PolarHBondContact O-N 2.9Å | ||
| 130 | M | 94.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.1 | 174.9 | -63.6 | 167.6 | 69.2 | 0 | 0 | 110.4 | L5 F49 Y51 K95 M97 L122 R123 V124 | L5-M130 HydrophobicContact CB-CG 4.36Å; L5-M130 HydrophobicContact CB-SD 4.4Å; F49-M130 HydrophobicContact CE1-CE 4.2Å; F49-M130 HydrophobicContact CZ-CE 3.88Å; Y51-M130 VanDerWaalsContact CB-SD 3.55Å; K95-M130 PolarHBondContact NZ-SD 2.78Å; M97-M130 HydrophobicContact SD-CB 4.27Å; M97-M130 HydrophobicContact SD-CE 4.16Å; L122-M130 HydrophobicContact CD1-CE 3.74Å; R123-M130 WeakPolarHBondContact O-CA 3.19Å; V124-M130 HydrophobicContact CG2-CG 4.07Å |
| 131 | W | 96.7 | Very high | 95.5 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 16% | 0.163 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.7 | 179.2 | -63.1 | 92.1 | 0 | 0 | 0 | 110.4 | V98 L122 R123 D125 | V98-W131 HydrophobicContact CB-CE3 4.16Å; V98-W131 HydrophobicContact CB-CZ3 4.1Å; V98-W131 HydrophobicContact CG1-CE3 4.26Å; V98-W131 HydrophobicContact CG1-CZ3 3.85Å; L122-W131 WeakPolarHBondContact CA-O 3.38Å; R123-W131 HydrophobicContact CG-CB 3.92Å; R123-W131 PolarHBondContact N-O 2.81Å; R123-W131 PolarHBondContact O-N 3.42Å; D125-W131 PolarHBondContact OD2-NE1 3.29Å |
| 132 | G | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 138.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | V98 S121 | V98-G132 PolarHBondContact O-N 2.83Å; S121-G132 CarbonylContact O-C 3.54Å; S121-G132 WeakPolarHBondContact O-CA 3.25Å |
| 133 | V | 97.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 22% | 0.218 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 107.6 | I120 S121 R123 | I120-V133 CarbonylContact C-O 3.47Å; I120-V133 WeakPolarHBondContact CA-O 3.41Å; I120-V133 WeakPolarHBondContact CB-O 3.5Å; S121-V133 PolarHBondContact N-O 3.34Å; S121-V133 PolarHBondContact O-N 3.26Å; R123-V133 HydrophobicContact CB-CG2 3.87Å; R123-V133 HydrophobicContact CG-CG2 3.52Å |
| 134 | L | 98.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 142.7 | 177.5 | -69.2 | 178.6 | 0 | 0 | 0 | 110.8 | V99 E103 L118 I120 L191 | V99-L134 HydrophobicContact CG1-CD1 4.42Å; V99-L134 HydrophobicContact CG1-CD2 4.04Å; V99-L134 HydrophobicContact CG1-CG 3.84Å; E103-L134 HydrophobicContact CB-CD1 3.83Å; E103-L134 HydrophobicContact CB-CG 4.29Å; L118-L134 HydrophobicContact CB-CD2 4.21Å; L118-L134 HydrophobicContact CD1-CD2 4.14Å; L118-L134 HydrophobicContact CD2-CD2 4.26Å; L118-L134 HydrophobicContact CG-CD2 4.44Å; I120-L134 HydrophobicContact CG2-CD2 3.97Å; L134-L191 HydrophobicContact CD1-CD2 4.05Å |
| 135 | A | 97.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | trans | -61.5 | 135.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y72 M119 I139 F140 | Y72-A135 HydrophobicContact CD1-CB 3.67Å; Y72-A135 HydrophobicContact CE1-CB 3.99Å; Y72-A135 HydrophobicContact CG-CB 4.49Å; M119-A135 HydrophobicContact CB-CB 4.01Å; M119-A135 HydrophobicContact CG-CB 3.78Å; M119-A135 PolarHBondContact O-N 3Å; M119-A135 HydrophobicContact SD-CB 3.96Å; A135-I139 HydrophobicContact CB-CB 4.04Å; A135-I139 HydrophobicContact CB-CG2 3.86Å; A135-F140 HydrophobicContact CB-CD2 4.25Å; A135-F140 HydrophobicContact CB-CE2 3.54Å; A135-F140 HydrophobicContact CB-CZ 3.74Å; A135-F140 WeakPolarHBondContact O-CE2 3.5Å | ||
| 136 | D | 95.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | trans | -92.3 | -179.7 | 174.6 | 72.1 | 15.9 | 0 | 0 | 0 | 111.7 | A138 I139 F140 | D136-A138 VanDerWaalsContact C-N 3.26Å; D136-A138 PolarHBondContact O-N 2.84Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.66Å; D136-I139 PolarHBondContact O-N 3.14Å; D136-I139 PolarHBondContact OD1-N 3.16Å; D136-F140 WeakPolarHBondContact O-CD2 3.26Å; D136-F140 PolarHBondContact O-N 3.13Å | ||
| 137 | E | 94.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -35.1 | -179.5 | -160.3 | -173.1 | 176.5 | 0 | 0 | 113 | F140 H141 R162 | E137-F140 PolarHBondContact O-N 2.99Å; E137-H141 PolarHBondContact O-CD2 2.91Å; E137-H141 PolarHBondContact O-N 2.82Å; E137-H141 IonicContact OE1-CD2 3.96Å; E137-H141 IonicContact OE1-NE2 3.45Å; E137-H141 PolarHBondContact OE1-NE2 3.37Å; E137-H141 VanDerWaalsContact OE1-NE2 3.16Å; E137-R162 IonicContact OE1-NH1 2.67Å; E137-R162 IonicContact OE2-CZ 3.9Å; E137-R162 IonicContact OE2-NH1 3.17Å; E137-R162 PolarHBondContact OE2-NH1 2.84Å; E137-R162 IonicContact OE2-NH2 3.81Å |
| 138 | A | 96 | Very high | 95.7 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | D136 H141 S142 | D136-A138 VanDerWaalsContact C-N 3.26Å; D136-A138 PolarHBondContact O-N 2.84Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.66Å; A138-H141 PolarHBondContact O-N 2.93Å; A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.14Å |
| 139 | I | 97 | Very high | 95.8 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 173.5 | -60.4 | -57.3 | 0 | 0 | 0 | 110.6 | Y72 M119 A135 D136 H141 S142 L143 | Y72-I139 HydrophobicContact CD1-CG2 4.34Å; Y72-I139 HydrophobicContact CD2-CD1 3.8Å; Y72-I139 HydrophobicContact CD2-CG1 4.03Å; Y72-I139 HydrophobicContact CD2-CG2 4.12Å; Y72-I139 HydrophobicContact CE1-CG1 4.33Å; Y72-I139 HydrophobicContact CE2-CD1 3.58Å; Y72-I139 HydrophobicContact CE2-CG1 3.79Å; Y72-I139 HydrophobicContact CG-CG1 4.41Å; Y72-I139 HydrophobicContact CG-CG2 3.92Å; M119-I139 HydrophobicContact SD-CG2 4.18Å; A135-I139 HydrophobicContact CB-CB 4.04Å; A135-I139 HydrophobicContact CB-CG2 3.86Å; D136-I139 PolarHBondContact O-N 3.14Å; D136-I139 PolarHBondContact OD1-N 3.16Å; I139-H141 PolarHBondContact O-N 3.1Å; I139-S142 PolarHBondContact O-N 3.01Å; I139-S142 VanDerWaalsContact O-N 3.14Å; I139-S142 PolarHBondContact O-OG 2.77Å; I139-L143 HydrophobicContact CG2-CD1 4.09Å; I139-L143 WeakPolarHBondContact O-CG 3.28Å; I139-L143 PolarHBondContact O-N 2.92Å; I139-L143 VanDerWaalsContact O-N 3.13Å |
| 140 | F | 97.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 179.4 | -71.9 | -71.3 | 0 | 0 | 0 | 113 | M119 A135 D136 E137 S142 L143 S144 Y161 I171 | M119-F140 HydrophobicContact CB-CE1 4.19Å; M119-F140 HydrophobicContact CB-CZ 3.94Å; M119-F140 HydrophobicContact CE-CE1 4.41Å; M119-F140 HydrophobicContact SD-CD1 4.37Å; M119-F140 HydrophobicContact SD-CE1 3.79Å; M119-F140 HydrophobicContact SD-CZ 4.17Å; A135-F140 HydrophobicContact CB-CD2 4.25Å; A135-F140 HydrophobicContact CB-CE2 3.54Å; A135-F140 HydrophobicContact CB-CZ 3.74Å; A135-F140 WeakPolarHBondContact O-CE2 3.5Å; D136-F140 WeakPolarHBondContact O-CD2 3.26Å; D136-F140 PolarHBondContact O-N 3.13Å; E137-F140 PolarHBondContact O-N 2.99Å; F140-S142 VanDerWaalsContact C-N 3.34Å; F140-L143 PolarHBondContact O-N 3.27Å; F140-S144 WeakPolarHBondContact O-CB 3.17Å; F140-S144 PolarHBondContact O-N 2.93Å; F140-S144 VanDerWaalsContact O-N 3.13Å; F140-Y161 HydrophobicContact CB-CE1 4.38Å; F140-Y161 HydrophobicContact CB-CE2 4.02Å; F140-Y161 HydrophobicContact CD1-CD1 4.04Å; F140-Y161 HydrophobicContact CD1-CD2 4.31Å; F140-Y161 HydrophobicContact CD1-CE1 4.28Å; F140-Y161 HydrophobicContact CD1-CG 4.05Å; F140-Y161 HydrophobicContact CD2-CD1 4.3Å; F140-Y161 AromaticContact CD2-CD2 3.13Å; F140-Y161 HydrophobicContact CD2-CD2 3.13Å; F140-Y161 HydrophobicContact CD2-CE1 4.46Å; F140-Y161 AromaticContact CD2-CE2 3.33Å; F140-Y161 HydrophobicContact CD2-CE2 3.33Å; F140-Y161 AromaticContact CD2-CG 3.66Å; F140-Y161 HydrophobicContact CD2-CG 3.66Å; F140-Y161 HydrophobicContact CE1-CD1 4.12Å; F140-Y161 HydrophobicContact CE1-CD2 4.35Å; F140-Y161 AromaticContact CE1-CG 3.87Å; F140-Y161 HydrophobicContact CE1-CG 3.87Å; F140-Y161 HydrophobicContact CE2-CD1 4.38Å; F140-Y161 AromaticContact CE2-CD2 3.19Å; F140-Y161 HydrophobicContact CE2-CD2 3.19Å; F140-Y161 AromaticContact CE2-CE2 3.93Å; F140-Y161 HydrophobicContact CE2-CE2 3.93Å; F140-Y161 AromaticContact CE2-CG 3.46Å; F140-Y161 HydrophobicContact CE2-CG 3.46Å; F140-Y161 VanDerWaalsContact CE2-CG 3.46Å; F140-Y161 HydrophobicContact CG-CD1 4.15Å; F140-Y161 AromaticContact CG-CD2 3.75Å; F140-Y161 HydrophobicContact CG-CD2 3.75Å; F140-Y161 HydrophobicContact CG-CE1 4.11Å; F140-Y161 AromaticContact CG-CE2 3.71Å; F140-Y161 HydrophobicContact CG-CE2 3.71Å; F140-Y161 AromaticContact CG-CG 3.97Å; F140-Y161 HydrophobicContact CG-CG 3.97Å; F140-Y161 AromaticContact CG-CZ 3.88Å; F140-Y161 HydrophobicContact CZ-CD1 4.29Å; F140-Y161 AromaticContact CZ-CD2 3.84Å; F140-Y161 HydrophobicContact CZ-CD2 3.84Å; F140-Y161 AromaticContact CZ-CG 3.57Å; F140-Y161 HydrophobicContact CZ-CG 3.57Å; F140-I171 HydrophobicContact CD1-CB 4Å; F140-I171 HydrophobicContact CD1-CG1 4.33Å; F140-I171 HydrophobicContact CD1-CG2 3.96Å; F140-I171 HydrophobicContact CE1-CB 4.31Å; F140-I171 HydrophobicContact CE1-CG2 3.75Å |
| 141 | H | 95.6 | Very high | 95.9 | Very high | 87 Ų | 87 | 58 Ų | 58 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 173.4 | -78.4 | -63.8 | 0 | 0 | 0 | 112.5 | E137 A138 I139 L143 S144 I177 | E137-H141 PolarHBondContact O-CD2 2.91Å; E137-H141 PolarHBondContact O-N 2.82Å; E137-H141 IonicContact OE1-CD2 3.96Å; E137-H141 IonicContact OE1-NE2 3.45Å; E137-H141 PolarHBondContact OE1-NE2 3.37Å; E137-H141 VanDerWaalsContact OE1-NE2 3.16Å; A138-H141 PolarHBondContact O-N 2.93Å; I139-H141 PolarHBondContact O-N 3.1Å; H141-L143 VanDerWaalsContact C-N 3.26Å; H141-L143 PolarHBondContact O-N 2.59Å; H141-S144 PolarHBondContact O-N 2.95Å; H141-S144 PolarHBondContact O-OG 2.88Å; H141-S144 VanDerWaalsContact O-OG 3.07Å; H141-I177 VanDerWaalsContact ND1-CD1 3.31Å; H141-I177 WeakPolarHBondContact ND1-CD1 3.36Å |
| 142 | S | 95.6 | Very high | 95.8 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.3 | -27.9 | 177.8 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | A138 I139 F140 | A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.14Å; I139-S142 PolarHBondContact O-N 3.01Å; I139-S142 VanDerWaalsContact O-N 3.14Å; I139-S142 PolarHBondContact O-OG 2.77Å; F140-S142 VanDerWaalsContact C-N 3.34Å |
| 143 | L | 94.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -87.2 | -17.1 | 178.1 | -65.9 | 173.3 | 0 | 0 | 0 | 112.6 | M119 I139 F140 H141 F175 | M119-L143 HydrophobicContact CE-CD1 3.58Å; M119-L143 HydrophobicContact SD-CD1 3.5Å; M119-L143 VanDerWaalsContact SD-CD1 3.5Å; I139-L143 HydrophobicContact CG2-CD1 4.09Å; I139-L143 WeakPolarHBondContact O-CG 3.28Å; I139-L143 PolarHBondContact O-N 2.92Å; I139-L143 VanDerWaalsContact O-N 3.13Å; F140-L143 PolarHBondContact O-N 3.27Å; H141-L143 VanDerWaalsContact C-N 3.26Å; H141-L143 PolarHBondContact O-N 2.59Å; L143-F175 HydrophobicContact CB-CD1 4.26Å |
| 144 | S | 96.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 66 Ų | 66 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 150.2 | -166.4 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | F140 H141 F175 | F140-S144 WeakPolarHBondContact O-CB 3.17Å; F140-S144 PolarHBondContact O-N 2.93Å; F140-S144 VanDerWaalsContact O-N 3.13Å; H141-S144 PolarHBondContact O-N 2.95Å; H141-S144 PolarHBondContact O-OG 2.88Å; H141-S144 VanDerWaalsContact O-OG 3.07Å; S144-F175 CarbonylContact C-O 3.59Å; S144-F175 VanDerWaalsContact CA-O 3.26Å; S144-F175 WeakPolarHBondContact CA-O 3.36Å |
| 145 | R | 96.2 | Very high | 95.3 | Very high | 152 Ų | 152 | 67.9 Ų | 67.9 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -98.1 | 154.9 | 166.9 | -60.4 | 177.4 | -179 | -164.8 | 1.2 | 108.9 | F175 Y176 | R145-F175 PolarHBondContact N-O 3.44Å; R145-Y176 HydrophobicContact CB-CD1 3.76Å; R145-Y176 HydrophobicContact CB-CE1 3.4Å; R145-Y176 VanDerWaalsContact CB-CE1 3.4Å; R145-Y176 WeakPolarHBondContact O-CD1 3.4Å |
| 146 | S | 96.7 | Very high | 95.2 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 125.2 | 171.7 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | Y176 | S146-Y176 WeakPolarHBondContact O-CE1 3.47Š|
| 147 | G | 95.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 160.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G206 | G147-G206 WeakPolarHBondContact CA-O 3.33Å; G147-G206 PolarHBondContact N-O 2.74Å |
| 148 | T | 95.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | trans | -128.8 | 158.1 | 179.8 | 74.5 | 0 | 0 | 0 | 0 | 111 | E150 M151 V202 | T148-E150 WeakPolarHBondContact CB-OE2 3.38Å; T148-E150 PolarHBondContact O-N 2.93Å; T148-E150 VanDerWaalsContact O-N 3.15Å; T148-E150 PolarHBondContact OG1-OE2 3.37Å; T148-M151 HydrophobicContact CG2-CE 4.37Å; T148-M151 WeakPolarHBondContact O-CB 3.4Å; T148-M151 PolarHBondContact O-N 3.16Å; T148-V202 WeakPolarHBondContact O-CG2 3.44Å | ||
| 149 | A | 91.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -62.3 | -24.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M151 Q152 | A149-M151 PolarHBondContact O-N 2.93Å; A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.77Å |
| 150 | E | 93.8 | Very high | 95.7 | Very high | 148 Ų | 148 | 62.3 Ų | 62.3 | 69% | 0.692 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.3 | -21.4 | 176.6 | -58.5 | 74 | -155.2 | 0 | 0 | 112.5 | T148 Q152 | T148-E150 WeakPolarHBondContact CB-OE2 3.38Å; T148-E150 PolarHBondContact O-N 2.93Å; T148-E150 VanDerWaalsContact O-N 3.15Å; T148-E150 PolarHBondContact OG1-OE2 3.37Å; E150-Q152 PolarHBondContact O-N 3.35Å |
| 151 | M | 95 | Very high | 95.8 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -74.9 | -1.6 | 178.8 | -59.4 | 177.7 | -175.4 | 0 | 0 | 113.5 | T148 A149 N153 E154 Y176 V199 L208 | T148-M151 HydrophobicContact CG2-CE 4.37Å; T148-M151 WeakPolarHBondContact O-CB 3.4Å; T148-M151 PolarHBondContact O-N 3.16Å; A149-M151 PolarHBondContact O-N 2.93Å; M151-N153 PolarHBondContact O-N 3.21Å; M151-E154 WeakPolarHBondContact CA-OE1 3.35Å; M151-E154 VanDerWaalsContact O-CB 3.3Å; M151-E154 WeakPolarHBondContact O-CB 3.43Å; M151-E154 WeakPolarHBondContact O-CG 3.43Å; M151-E154 PolarHBondContact O-N 2.92Å; M151-E154 VanDerWaalsContact O-N 3.15Å; M151-Y176 HydrophobicContact CE-CD1 4.48Å; M151-Y176 HydrophobicContact CE-CE1 3.64Å; M151-Y176 HydrophobicContact CE-CE2 4.13Å; M151-Y176 VanDerWaalsContact CE-CZ 3.44Å; M151-Y176 WeakPolarHBondContact CE-OH 3.1Å; M151-Y176 HydrophobicContact SD-CD1 4.45Å; M151-Y176 HydrophobicContact SD-CE1 4.17Å; M151-Y176 HydrophobicContact SD-CE2 4.49Å; M151-V199 VanDerWaalsContact O-CB 3.23Å; M151-V199 WeakPolarHBondContact O-CB 3.12Å; M151-L208 HydrophobicContact SD-CD2 4.12Å |
| 152 | Q | 94.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 134.4 | 179.7 | -175.8 | 65.1 | 14.1 | 0 | 0 | 111.4 | A149 E150 E154 I200 G201 | A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.77Å; E150-Q152 PolarHBondContact O-N 3.35Å; Q152-E154 PolarHBondContact O-N 2.54Å; Q152-I200 PolarHBondContact NE2-O 2.8Å; Q152-I200 PolarHBondContact OE1-O 2.84Å; Q152-G201 VanDerWaalsContact OE1-CA 3.24Å; Q152-G201 VanDerWaalsContact OE1-N 3.11Å |
| 153 | N | 92 | Very high | 95.8 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 3.4 | 179.3 | -170.8 | 63.7 | 0 | 0 | 0 | 115.5 | M151 R198 V199 R215 | M151-N153 PolarHBondContact O-N 3.21Å; N153-R198 VanDerWaalsContact OD1-CD 3.32Å; N153-R198 WeakPolarHBondContact OD1-CD 3.42Å; N153-R198 PolarHBondContact OD1-NH1 3.12Å; N153-V199 VanDerWaalsContact CA-O 3.23Å; N153-V199 WeakPolarHBondContact CA-O 3.4Å; N153-V199 PolarHBondContact N-O 3.13Å; N153-R215 PolarHBondContact O-NH2 2.84Å; N153-R215 PolarHBondContact OD1-NE 2.75Å; N153-R215 VanDerWaalsContact OD1-NE 3.08Å |
| 154 | E | 95.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | trans | -66.9 | 141.5 | 169.8 | -68.7 | -175.2 | -164.8 | 0 | 0 | 111.5 | M151 Q152 K156 R198 V199 | M151-E154 WeakPolarHBondContact CA-OE1 3.35Å; M151-E154 VanDerWaalsContact O-CB 3.3Å; M151-E154 WeakPolarHBondContact O-CB 3.43Å; M151-E154 WeakPolarHBondContact O-CG 3.43Å; M151-E154 PolarHBondContact O-N 2.92Å; M151-E154 VanDerWaalsContact O-N 3.15Å; Q152-E154 PolarHBondContact O-N 2.54Å; E154-K156 WeakPolarHBondContact OE2-CE 3.38Å; E154-K156 IonicContact OE2-NZ 3.62Å; E154-K156 PolarHBondContact OE2-NZ 3.49Å; E154-R198 CarbonylContact O-C 3.47Å; E154-R198 VanDerWaalsContact O-CA 3.31Å; E154-R198 WeakPolarHBondContact O-CA 3.11Å; E154-V199 PolarHBondContact O-N 2.88Å | ||
| 155 | N | 95.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.7 | 166.7 | -71.2 | 5.4 | 0 | 0 | 0 | 109 | E196 R215 | N155-E196 HydrophobicContact CB-CG 4.24Å; N155-E196 WeakPolarHBondContact CB-OE1 3.48Å; N155-E196 PolarHBondContact ND2-OE1 2.8Å; N155-R215 PolarHBondContact OD1-NH2 2.86Å |
| 156 | K | 97.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 62 Ų | 62 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.5 | 174.1 | -58.8 | -75.7 | -173.4 | -177.3 | 0 | 109.2 | E154 T172 D174 A197 V199 M210 | E154-K156 WeakPolarHBondContact OE2-CE 3.38Å; E154-K156 IonicContact OE2-NZ 3.62Å; E154-K156 PolarHBondContact OE2-NZ 3.49Å; K156-T172 HydrophobicContact CB-CG2 3.69Å; K156-T172 HydrophobicContact CG-CG2 4.22Å; K156-D174 IonicContact NZ-OD2 3.83Å; K156-D174 PolarHBondContact NZ-OD2 3.36Å; K156-A197 PolarHBondContact N-O 2.99Å; K156-A197 PolarHBondContact O-N 3.37Å; K156-V199 HydrophobicContact CG-CG2 4.31Å; K156-M210 HydrophobicContact CB-CE 3.74Å; K156-M210 HydrophobicContact CG-CE 4.11Å |
| 157 | K | 98.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.1 | 167 | -172.1 | 174.6 | 174.6 | -177.1 | 0 | 109.1 | T172 D173 V194 V195 | K157-T172 CarbonylContact O-C 3.55Å; K157-T172 VanDerWaalsContact O-CA 3.28Å; K157-T172 WeakPolarHBondContact O-CA 3.27Å; K157-T172 WeakPolarHBondContact O-CB 3.33Å; K157-D173 WeakPolarHBondContact CD-OD2 3.46Å; K157-D173 WeakPolarHBondContact CG-OD2 3.4Å; K157-D173 PolarHBondContact O-N 2.94Å; K157-V194 HydrophobicContact CD-CG1 4.11Å; K157-V194 HydrophobicContact CG-CG1 3.78Å; K157-V195 CarbonylContact C-O 3.5Å; K157-V195 WeakPolarHBondContact CA-O 3.41Å |
| 158 | G | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I171 V194 V195 | G158-I171 CarbonylContact C-O 3.45Å; G158-I171 WeakPolarHBondContact CA-O 3.41Å; G158-V194 CarbonylContact O-C 3.59Å; G158-V194 VanDerWaalsContact O-CA 3.31Å; G158-V194 WeakPolarHBondContact O-CA 3.47Å; G158-V195 PolarHBondContact N-O 3.13Å; G158-V195 PolarHBondContact O-N 3.02Å |
| 159 | T | 98.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | -177.4 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | F74 R117 Y161 L170 I171 E193 | F74-T159 HydrophobicContact CE1-CG2 3.92Å; R117-T159 HydrophobicContact CG-CG2 4.05Å; R117-T159 PolarHBondContact NE-OG1 3.36Å; R117-T159 PolarHBondContact NH2-OG1 3.13Å; R117-T159 WeakPolarHBondContact O-CG2 3.1Å; T159-Y161 PolarHBondContact O-N 3.18Å; T159-L170 CarbonylContact O-C 3.5Å; T159-L170 WeakPolarHBondContact O-CA 3.26Å; T159-L170 WeakPolarHBondContact O-CB 3.11Å; T159-I171 PolarHBondContact N-O 3.13Å; T159-I171 PolarHBondContact O-N 2.91Å; T159-E193 WeakPolarHBondContact CA-O 3.46Å |
| 160 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 118.3 | 174.9 | -61.1 | -76.6 | 0 | 0 | 0 | 108.6 | L163 Y169 L170 P189 R190 G192 E193 V195 | I160-L163 HydrophobicContact CG2-CD2 3.43Å; I160-L163 VanDerWaalsContact CG2-CD2 3.43Å; I160-L163 HydrophobicContact CG2-CG 4.47Å; I160-Y169 WeakPolarHBondContact CA-O 3.4Å; I160-L170 HydrophobicContact CD1-CB 3.9Å; I160-L170 HydrophobicContact CD1-CD2 4.31Å; I160-L170 HydrophobicContact CG1-CB 4.49Å; I160-P189 HydrophobicContact CD1-CB 4.04Å; I160-P189 HydrophobicContact CD1-CG 3.49Å; I160-P189 VanDerWaalsContact CD1-CG 3.49Å; I160-P189 HydrophobicContact CG1-CB 3.85Å; I160-P189 HydrophobicContact CG1-CG 3.85Å; I160-P189 HydrophobicContact CG2-CG 4.38Å; I160-R190 WeakPolarHBondContact CB-O 3.47Å; I160-R190 WeakPolarHBondContact CG2-O 3.39Å; I160-G192 WeakPolarHBondContact O-CA 3.34Å; I160-G192 PolarHBondContact O-N 2.87Å; I160-E193 HydrophobicContact CG1-CB 4.44Å; I160-E193 PolarHBondContact N-O 2.83Å; I160-V195 HydrophobicContact CD1-CG2 4.22Å; I160-V195 HydrophobicContact CG1-CG1 4.17Å; I160-V195 HydrophobicContact CG1-CG2 4.13Å |
| 161 | Y | 97.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 9% | 0.09 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -15.5 | -178.3 | 71.7 | -96 | 0 | 0 | 0 | 113 | F140 T159 Y169 L170 I171 L191 | F140-Y161 HydrophobicContact CB-CE1 4.38Å; F140-Y161 HydrophobicContact CB-CE2 4.02Å; F140-Y161 HydrophobicContact CD1-CD1 4.04Å; F140-Y161 HydrophobicContact CD1-CD2 4.31Å; F140-Y161 HydrophobicContact CD1-CE1 4.28Å; F140-Y161 HydrophobicContact CD1-CG 4.05Å; F140-Y161 HydrophobicContact CD2-CD1 4.3Å; F140-Y161 AromaticContact CD2-CD2 3.13Å; F140-Y161 HydrophobicContact CD2-CD2 3.13Å; F140-Y161 HydrophobicContact CD2-CE1 4.46Å; F140-Y161 AromaticContact CD2-CE2 3.33Å; F140-Y161 HydrophobicContact CD2-CE2 3.33Å; F140-Y161 AromaticContact CD2-CG 3.66Å; F140-Y161 HydrophobicContact CD2-CG 3.66Å; F140-Y161 HydrophobicContact CE1-CD1 4.12Å; F140-Y161 HydrophobicContact CE1-CD2 4.35Å; F140-Y161 AromaticContact CE1-CG 3.87Å; F140-Y161 HydrophobicContact CE1-CG 3.87Å; F140-Y161 HydrophobicContact CE2-CD1 4.38Å; F140-Y161 AromaticContact CE2-CD2 3.19Å; F140-Y161 HydrophobicContact CE2-CD2 3.19Å; F140-Y161 AromaticContact CE2-CE2 3.93Å; F140-Y161 HydrophobicContact CE2-CE2 3.93Å; F140-Y161 AromaticContact CE2-CG 3.46Å; F140-Y161 HydrophobicContact CE2-CG 3.46Å; F140-Y161 VanDerWaalsContact CE2-CG 3.46Å; F140-Y161 HydrophobicContact CG-CD1 4.15Å; F140-Y161 AromaticContact CG-CD2 3.75Å; F140-Y161 HydrophobicContact CG-CD2 3.75Å; F140-Y161 HydrophobicContact CG-CE1 4.11Å; F140-Y161 AromaticContact CG-CE2 3.71Å; F140-Y161 HydrophobicContact CG-CE2 3.71Å; F140-Y161 AromaticContact CG-CG 3.97Å; F140-Y161 HydrophobicContact CG-CG 3.97Å; F140-Y161 AromaticContact CG-CZ 3.88Å; F140-Y161 HydrophobicContact CZ-CD1 4.29Å; F140-Y161 AromaticContact CZ-CD2 3.84Å; F140-Y161 HydrophobicContact CZ-CD2 3.84Å; F140-Y161 AromaticContact CZ-CG 3.57Å; F140-Y161 HydrophobicContact CZ-CG 3.57Å; T159-Y161 PolarHBondContact O-N 3.18Å; Y161-Y169 PolarHBondContact N-O 2.85Å; Y161-L170 VanDerWaalsContact CE1-C 3.41Å; Y161-L170 WeakPolarHBondContact CE1-O 3.4Å; Y161-I171 HydrophobicContact CD1-CB 4.18Å; Y161-I171 HydrophobicContact CD1-CG2 4.29Å; Y161-I171 HydrophobicContact CE1-CB 4.34Å; Y161-L191 WeakPolarHBondContact O-CD1 3.4Å |
| 162 | R | 96.5 | Very high | 96.3 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133.5 | 179.3 | -165.8 | 174 | -171.5 | -173.1 | 8.7 | 112.6 | E137 K164 S168 Y169 | E137-R162 IonicContact OE1-NH1 2.67Å; E137-R162 IonicContact OE2-CZ 3.9Å; E137-R162 IonicContact OE2-NH1 3.17Å; E137-R162 PolarHBondContact OE2-NH1 2.84Å; E137-R162 IonicContact OE2-NH2 3.81Å; R162-K164 HydrophobicContact CG-CG 4.47Å; R162-K164 VanDerWaalsContact NH1-CE 3.33Å; R162-K164 VanDerWaalsContact NH1-NZ 3.17Å; R162-S168 CarbonylContact O-C 3.54Å; R162-S168 WeakPolarHBondContact O-CA 3.33Å; R162-Y169 PolarHBondContact N-O 3.32Å; R162-Y169 PolarHBondContact O-N 2.84Å |
| 163 | L | 95.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.5 | 178.5 | -51.5 | 177.9 | 0 | 0 | 0 | 108.4 | P105 L110 I160 S168 P189 L191 | P105-L163 HydrophobicContact CB-CD1 4.38Å; P105-L163 HydrophobicContact CG-CD1 3.85Å; L110-L163 HydrophobicContact CB-CD1 3.73Å; L110-L163 HydrophobicContact CD1-CD1 3.98Å; L110-L163 HydrophobicContact CG-CD1 4.31Å; I160-L163 HydrophobicContact CG2-CD2 3.43Å; I160-L163 VanDerWaalsContact CG2-CD2 3.43Å; I160-L163 HydrophobicContact CG2-CG 4.47Å; L163-S168 WeakPolarHBondContact CD2-OG 3.36Å; L163-P189 WeakPolarHBondContact CD2-O 3.46Å; L163-L191 HydrophobicContact CD1-CB 4.33Å |
| 164 | K | 92.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | 172.4 | -64.6 | -173.7 | -178.9 | 175.1 | 0 | 108.4 | R162 A166 G167 Y169 | R162-K164 HydrophobicContact CG-CG 4.47Å; R162-K164 VanDerWaalsContact NH1-CE 3.33Å; R162-K164 VanDerWaalsContact NH1-NZ 3.17Å; K164-A166 PolarHBondContact O-N 3.42Å; K164-A166 VanDerWaalsContact O-N 3.14Å; K164-G167 CarbonylContact C-O 3.46Å; K164-G167 WeakPolarHBondContact CA-O 3.46Å; K164-G167 WeakPolarHBondContact CB-O 3.31Å; K164-G167 PolarHBondContact N-O 2.88Å; K164-G167 CarbonylContact O-C 3.57Å; K164-G167 PolarHBondContact O-N 2.92Å; K164-Y169 HydrophobicContact CD-CE2 4.16Å |
| 165 | V | 90.6 | Very high | 96.7 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 89% | 0.891 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -36.5 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | G167 | V165-G167 VanDerWaalsContact C-N 3.27Å; V165-G167 PolarHBondContact O-N 3.43Å |
| 166 | A | 93.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K164 F179 P182 | K164-A166 PolarHBondContact O-N 3.42Å; K164-A166 VanDerWaalsContact O-N 3.14Å; A166-F179 VanDerWaalsContact O-CZ 3.26Å; A166-F179 WeakPolarHBondContact O-CZ 3.25Å; A166-P182 WeakPolarHBondContact O-CD 3.45Å |
| 167 | G | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K164 V165 V180 | K164-G167 CarbonylContact C-O 3.46Å; K164-G167 WeakPolarHBondContact CA-O 3.46Å; K164-G167 WeakPolarHBondContact CB-O 3.31Å; K164-G167 PolarHBondContact N-O 2.88Å; K164-G167 CarbonylContact O-C 3.57Å; K164-G167 PolarHBondContact O-N 2.92Å; V165-G167 VanDerWaalsContact C-N 3.27Å; V165-G167 PolarHBondContact O-N 3.43Å; G167-V180 VanDerWaalsContact CA-O 3.27Å; G167-V180 WeakPolarHBondContact CA-O 3.33Å |
| 168 | S | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | R162 L163 V180 R185 | R162-S168 CarbonylContact O-C 3.54Å; R162-S168 WeakPolarHBondContact O-CA 3.33Å; L163-S168 WeakPolarHBondContact CD2-OG 3.36Å; S168-V180 PolarHBondContact N-O 3.31Å; S168-V180 PolarHBondContact O-N 2.93Å; S168-R185 VanDerWaalsContact N-NH1 3.2Å; S168-R185 PolarHBondContact OG-NH1 2.8Å |
| 169 | Y | 98.3 | Very high | 96.9 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.4 | 171.6 | -69.2 | -101.1 | 0 | 0 | 0 | 110.2 | I160 Y161 R162 K164 I177 G178 F179 | I160-Y169 WeakPolarHBondContact CA-O 3.4Å; Y161-Y169 PolarHBondContact N-O 2.85Å; R162-Y169 PolarHBondContact N-O 3.32Å; R162-Y169 PolarHBondContact O-N 2.84Å; K164-Y169 HydrophobicContact CD-CE2 4.16Å; Y169-I177 HydrophobicContact CD1-CG2 3.88Å; Y169-G178 CarbonylContact C-O 3.48Å; Y169-G178 VanDerWaalsContact CA-O 3.28Å; Y169-G178 WeakPolarHBondContact CA-O 3.32Å; Y169-F179 HydrophobicContact CD1-CB 4.41Å; Y169-F179 HydrophobicContact CD1-CD2 4.28Å; Y169-F179 HydrophobicContact CD2-CD2 4.03Å; Y169-F179 HydrophobicContact CD2-CE2 4.49Å; Y169-F179 HydrophobicContact CE1-CB 4.23Å; Y169-F179 AromaticContact CE1-CD2 3.9Å; Y169-F179 HydrophobicContact CE1-CD2 3.9Å; Y169-F179 HydrophobicContact CE1-CG 4.44Å; Y169-F179 AromaticContact CE2-CD2 3.59Å; Y169-F179 HydrophobicContact CE2-CD2 3.59Å; Y169-F179 AromaticContact CE2-CE2 3.85Å; Y169-F179 HydrophobicContact CE2-CE2 3.85Å; Y169-F179 HydrophobicContact CG-CD2 4.34Å; Y169-F179 AromaticContact CZ-CD2 3.52Å |
| 170 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.5 | 172.4 | 65.9 | 96.2 | 0 | 0 | 0 | 110.7 | T159 I160 Y161 T172 I177 G178 V180 V195 A197 M210 | T159-L170 CarbonylContact O-C 3.5Å; T159-L170 WeakPolarHBondContact O-CA 3.26Å; T159-L170 WeakPolarHBondContact O-CB 3.11Å; I160-L170 HydrophobicContact CD1-CB 3.9Å; I160-L170 HydrophobicContact CD1-CD2 4.31Å; I160-L170 HydrophobicContact CG1-CB 4.49Å; Y161-L170 VanDerWaalsContact CE1-C 3.41Å; Y161-L170 WeakPolarHBondContact CE1-O 3.4Å; L170-T172 HydrophobicContact CD1-CG2 3.66Å; L170-I177 WeakPolarHBondContact O-CA 3.22Å; L170-G178 PolarHBondContact N-O 2.72Å; L170-G178 PolarHBondContact O-N 3.38Å; L170-V180 HydrophobicContact CD2-CG2 3.81Å; L170-V195 HydrophobicContact CD2-CG2 4.03Å; L170-A197 HydrophobicContact CD2-CB 4.11Å; L170-M210 HydrophobicContact CD1-SD 3.8Å; L170-M210 HydrophobicContact CD2-SD 4Å; L170-M210 HydrophobicContact CG-SD 4.22Å |
| 171 | I | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127 | 166 | -174.9 | 72.4 | 0 | 0 | 0 | 107.4 | F74 F140 G158 T159 Y161 Y176 I177 | F74-I171 HydrophobicContact CE2-CG2 4.41Å; F74-I171 HydrophobicContact CZ-CG2 3.68Å; F140-I171 HydrophobicContact CD1-CB 4Å; F140-I171 HydrophobicContact CD1-CG1 4.33Å; F140-I171 HydrophobicContact CD1-CG2 3.96Å; F140-I171 HydrophobicContact CE1-CB 4.31Å; F140-I171 HydrophobicContact CE1-CG2 3.75Å; G158-I171 CarbonylContact C-O 3.45Å; G158-I171 WeakPolarHBondContact CA-O 3.41Å; T159-I171 PolarHBondContact N-O 3.13Å; T159-I171 PolarHBondContact O-N 2.91Å; Y161-I171 HydrophobicContact CD1-CB 4.18Å; Y161-I171 HydrophobicContact CD1-CG2 4.29Å; Y161-I171 HydrophobicContact CE1-CB 4.34Å; I171-Y176 WeakPolarHBondContact CA-O 3.37Å; I171-I177 HydrophobicContact CD1-CG1 4.05Å |
| 172 | T | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 160 | 178.5 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | K156 K157 L170 D174 F175 Y176 M210 | K156-T172 HydrophobicContact CB-CG2 3.69Å; K156-T172 HydrophobicContact CG-CG2 4.22Å; K157-T172 CarbonylContact O-C 3.55Å; K157-T172 VanDerWaalsContact O-CA 3.28Å; K157-T172 WeakPolarHBondContact O-CA 3.27Å; K157-T172 WeakPolarHBondContact O-CB 3.33Å; L170-T172 HydrophobicContact CD1-CG2 3.66Å; T172-D174 WeakPolarHBondContact CB-OD1 3.44Å; T172-D174 PolarHBondContact O-N 3.41Å; T172-D174 PolarHBondContact OG1-OD1 2.97Å; T172-F175 WeakPolarHBondContact O-CA 3.4Å; T172-F175 PolarHBondContact O-N 3.23Å; T172-F175 PolarHBondContact OG1-N 2.99Å; T172-Y176 PolarHBondContact N-O 3.34Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.44Å; T172-Y176 PolarHBondContact OG1-N 3.26Å; T172-Y176 PolarHBondContact OG1-O 3.13Å; T172-M210 HydrophobicContact CG2-SD 4.4Å |
| 173 | D | 97.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.9 | 176.9 | -76.5 | -27.5 | 0 | 0 | 0 | 112.6 | R117 K157 | R117-D173 IonicContact CZ-OD1 3.41Å; R117-D173 IonicContact NH1-OD1 3.58Å; R117-D173 PolarHBondContact NH1-OD1 2.69Å; R117-D173 IonicContact NH2-OD1 2.79Å; R117-D173 PolarHBondContact NH2-OD1 3.45Å; K157-D173 WeakPolarHBondContact CD-OD2 3.46Å; K157-D173 WeakPolarHBondContact CG-OD2 3.4Å; K157-D173 PolarHBondContact O-N 2.94Å |
| 174 | D | 96.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 17.2 | 173.9 | 59.3 | -17.2 | 0 | 0 | 0 | 113.9 | K156 T172 Y176 | K156-D174 IonicContact NZ-OD2 3.83Å; K156-D174 PolarHBondContact NZ-OD2 3.36Å; T172-D174 WeakPolarHBondContact CB-OD1 3.44Å; T172-D174 PolarHBondContact O-N 3.41Å; T172-D174 PolarHBondContact OG1-OD1 2.97Å; D174-Y176 HydrophobicContact CB-CD2 4.39Å; D174-Y176 HydrophobicContact CB-CE2 4.18Å; D174-Y176 WeakPolarHBondContact OD1-CD2 3.37Å; D174-Y176 VanDerWaalsContact OD2-CE2 3.29Å; D174-Y176 WeakPolarHBondContact OD2-CE2 3.43Å |
| 175 | F | 97.2 | Very high | 96 | Very high | 83 Ų | 83 | 37 Ų | 37 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 67.5 | 42.4 | 170.9 | -59.3 | -87.7 | 0 | 0 | 0 | 116.3 | L143 S144 R145 T172 | L143-F175 HydrophobicContact CB-CD1 4.26Å; S144-F175 CarbonylContact C-O 3.59Å; S144-F175 VanDerWaalsContact CA-O 3.26Å; S144-F175 WeakPolarHBondContact CA-O 3.36Å; R145-F175 PolarHBondContact N-O 3.44Å; T172-F175 WeakPolarHBondContact O-CA 3.4Å; T172-F175 PolarHBondContact O-N 3.23Å; T172-F175 PolarHBondContact OG1-N 2.99Å |
| 176 | Y | 98.2 | Very high | 95.8 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 139.1 | 166.6 | -60.7 | -82.8 | 0 | 0 | 0 | 110.9 | R145 S146 M151 I171 T172 D174 G178 L208 | R145-Y176 HydrophobicContact CB-CD1 3.76Å; R145-Y176 HydrophobicContact CB-CE1 3.4Å; R145-Y176 VanDerWaalsContact CB-CE1 3.4Å; R145-Y176 WeakPolarHBondContact O-CD1 3.4Å; S146-Y176 WeakPolarHBondContact O-CE1 3.47Å; M151-Y176 HydrophobicContact CE-CD1 4.48Å; M151-Y176 HydrophobicContact CE-CE1 3.64Å; M151-Y176 HydrophobicContact CE-CE2 4.13Å; M151-Y176 VanDerWaalsContact CE-CZ 3.44Å; M151-Y176 WeakPolarHBondContact CE-OH 3.1Å; M151-Y176 HydrophobicContact SD-CD1 4.45Å; M151-Y176 HydrophobicContact SD-CE1 4.17Å; M151-Y176 HydrophobicContact SD-CE2 4.49Å; I171-Y176 WeakPolarHBondContact CA-O 3.37Å; T172-Y176 PolarHBondContact N-O 3.34Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.44Å; T172-Y176 PolarHBondContact OG1-N 3.26Å; T172-Y176 PolarHBondContact OG1-O 3.13Å; D174-Y176 HydrophobicContact CB-CD2 4.39Å; D174-Y176 HydrophobicContact CB-CE2 4.18Å; D174-Y176 WeakPolarHBondContact OD1-CD2 3.37Å; D174-Y176 VanDerWaalsContact OD2-CE2 3.29Å; D174-Y176 WeakPolarHBondContact OD2-CE2 3.43Å; Y176-G178 PolarHBondContact O-N 2.84Å; Y176-L208 HydrophobicContact CG-CD1 4.06Å |
| 177 | I | 98.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.8 | 171.1 | -67 | 170.1 | 0 | 0 | 0 | 108.3 | H141 Y169 L170 I171 V207 L208 | H141-I177 VanDerWaalsContact ND1-CD1 3.31Å; H141-I177 WeakPolarHBondContact ND1-CD1 3.36Å; Y169-I177 HydrophobicContact CD1-CG2 3.88Å; L170-I177 WeakPolarHBondContact O-CA 3.22Å; I171-I177 HydrophobicContact CD1-CG1 4.05Å; I177-V207 HydrophobicContact CB-CG2 4.35Å; I177-V207 HydrophobicContact CG2-CG1 4.09Å; I177-V207 HydrophobicContact CG2-CG2 4.13Å; I177-L208 PolarHBondContact O-N 2.99Å |
| 178 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y169 L170 Y176 L208 | Y169-G178 CarbonylContact C-O 3.48Å; Y169-G178 VanDerWaalsContact CA-O 3.28Å; Y169-G178 WeakPolarHBondContact CA-O 3.32Å; L170-G178 PolarHBondContact N-O 2.72Å; L170-G178 PolarHBondContact O-N 3.38Å; Y176-G178 PolarHBondContact O-N 2.84Å; G178-L208 CarbonylContact C-O 3.54Å; G178-L208 VanDerWaalsContact CA-O 3.26Å; G178-L208 WeakPolarHBondContact CA-O 3.41Å |
| 179 | F | 98.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 44 Ų | 44 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.9 | 173.3 | 174.7 | -104.9 | 0 | 0 | 0 | 110 | A166 Y169 H181 V207 L208 M210 | A166-F179 VanDerWaalsContact O-CZ 3.26Å; A166-F179 WeakPolarHBondContact O-CZ 3.25Å; Y169-F179 HydrophobicContact CD1-CB 4.41Å; Y169-F179 HydrophobicContact CD1-CD2 4.28Å; Y169-F179 HydrophobicContact CD2-CD2 4.03Å; Y169-F179 HydrophobicContact CD2-CE2 4.49Å; Y169-F179 HydrophobicContact CE1-CB 4.23Å; Y169-F179 AromaticContact CE1-CD2 3.9Å; Y169-F179 HydrophobicContact CE1-CD2 3.9Å; Y169-F179 HydrophobicContact CE1-CG 4.44Å; Y169-F179 AromaticContact CE2-CD2 3.59Å; Y169-F179 HydrophobicContact CE2-CD2 3.59Å; Y169-F179 AromaticContact CE2-CE2 3.85Å; Y169-F179 HydrophobicContact CE2-CE2 3.85Å; Y169-F179 HydrophobicContact CG-CD2 4.34Å; Y169-F179 AromaticContact CZ-CD2 3.52Å; F179-H181 HydrophobicContact CE1-CB 4Å; F179-V207 HydrophobicContact CB-CG1 3.99Å; F179-L208 PolarHBondContact N-O 3.43Å; F179-M210 PolarHBondContact O-N 3.12Å |
| 180 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | G167 S168 L170 E184 R185 M210 L212 | G167-V180 VanDerWaalsContact CA-O 3.27Å; G167-V180 WeakPolarHBondContact CA-O 3.33Å; S168-V180 PolarHBondContact N-O 3.31Å; S168-V180 PolarHBondContact O-N 2.93Å; L170-V180 HydrophobicContact CD2-CG2 3.81Å; V180-E184 HydrophobicContact CG1-CB 4.28Å; V180-R185 HydrophobicContact CG1-CB 4.1Å; V180-R185 HydrophobicContact CG1-CG 4.5Å; V180-M210 HydrophobicContact CG2-CB 4.09Å; V180-L212 HydrophobicContact CG1-CD1 4.06Å; V180-L212 HydrophobicContact CG1-CG 3.98Å; V180-L212 HydrophobicContact CG2-CD1 4.43Å; V180-L212 HydrophobicContact CG2-CG 4.15Å |
| 181 | H | 95.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 45 Ų | 45 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | trans | -66.8 | 148.5 | 173.7 | -174.4 | -102.6 | 0 | 0 | 0 | 110.6 | F179 S183 E184 | F179-H181 HydrophobicContact CE1-CB 4Å; H181-S183 WeakPolarHBondContact ND1-CB 3.41Å; H181-S183 PolarHBondContact ND1-N 2.91Å; H181-S183 VanDerWaalsContact ND1-N 3.17Å; H181-S183 PolarHBondContact ND1-OG 2.88Å; H181-S183 PolarHBondContact O-N 3.2Å; H181-S183 VanDerWaalsContact O-N 3.1Å; H181-E184 HydrophobicContact CB-CG 4.29Å; H181-E184 WeakPolarHBondContact O-CA 3.17Å; H181-E184 WeakPolarHBondContact O-CB 3.41Å; H181-E184 PolarHBondContact O-N 2.65Å | ||
| 182 | P | 93.4 | Very high | 95.4 | Very high | 50 Ų | 50 | 45 Ų | 45 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -55.5 | -28.5 | 178 | -30.6 | 37.1 | 0 | 0 | 0 | 114.7 | A166 E184 | A166-P182 WeakPolarHBondContact O-CD 3.45Å; P182-E184 PolarHBondContact O-N 2.92Å |
| 183 | S | 90 | Very high | 95.4 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 39% | 0.392 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -70.2 | -15.3 | 173.9 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | H181 K213 | H181-S183 WeakPolarHBondContact ND1-CB 3.41Å; H181-S183 PolarHBondContact ND1-N 2.91Å; H181-S183 VanDerWaalsContact ND1-N 3.17Å; H181-S183 PolarHBondContact ND1-OG 2.88Å; H181-S183 PolarHBondContact O-N 3.2Å; H181-S183 VanDerWaalsContact O-N 3.1Å; S183-K213 WeakPolarHBondContact O-CE 3.47Å; S183-K213 PolarHBondContact O-NZ 3Å |
| 184 | E | 93.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -105.1 | 18.4 | -173.6 | -63.3 | -53.5 | 131.4 | 0 | 0 | 112.6 | V180 H181 P182 I200 S211 L212 K213 | V180-E184 HydrophobicContact CG1-CB 4.28Å; H181-E184 HydrophobicContact CB-CG 4.29Å; H181-E184 WeakPolarHBondContact O-CA 3.17Å; H181-E184 WeakPolarHBondContact O-CB 3.41Å; H181-E184 PolarHBondContact O-N 2.65Å; P182-E184 PolarHBondContact O-N 2.92Å; E184-I200 HydrophobicContact CG-CD1 3.72Å; E184-S211 PolarHBondContact O-OG 2.87Å; E184-S211 VanDerWaalsContact OE2-CB 3.23Å; E184-S211 WeakPolarHBondContact OE2-CB 3.31Å; E184-S211 PolarHBondContact OE2-OG 3.24Å; E184-L212 PolarHBondContact O-N 2.88Å; E184-K213 PolarHBondContact O-N 3.08Å |
| 185 | R | 90 | Very high | 95.5 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | trans | -144.1 | 154.4 | 175.8 | 65 | -167.5 | -172.4 | -166.7 | 11.1 | 110.2 | S168 V180 Q187 E188 L212 | S168-R185 VanDerWaalsContact N-NH1 3.2Å; S168-R185 PolarHBondContact OG-NH1 2.8Å; V180-R185 HydrophobicContact CG1-CB 4.1Å; V180-R185 HydrophobicContact CG1-CG 4.5Å; R185-Q187 WeakPolarHBondContact CB-O 3.4Å; R185-Q187 WeakPolarHBondContact CD-O 3.35Å; R185-Q187 WeakPolarHBondContact CG-O 3.35Å; R185-E188 IonicContact CZ-OE1 2.94Å; R185-E188 IonicContact NH1-OE1 3.33Å; R185-E188 IonicContact NH2-OE1 3.13Å; R185-E188 PolarHBondContact NH2-OE1 2.95Å; R185-E188 IonicContact NH2-OE2 3.46Å; R185-L212 HydrophobicContact CB-CB 4.27Å; R185-L212 HydrophobicContact CB-CD1 4.2Å | ||
| 186 | Y | 86 | Confident | 95.4 | Very high | 149 Ų | 149 | 45.6 Ų | 45.6 | 58% | 0.584 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -87.1 | -32.6 | 170.4 | -61.9 | -65.3 | 0 | 0 | 0 | 112.4 | K213 P214 M219 | Y186-K213 HydrophobicContact CE1-CD 4.46Å; Y186-K213 HydrophobicContact CE1-CG 4.31Å; Y186-K213 HydrophobicContact CE2-CG 4.1Å; Y186-P214 VanDerWaalsContact CE2-CD 3.49Å; Y186-P214 HydrophobicContact CE2-CG 4.27Å; Y186-P214 WeakPolarHBondContact OH-CD 3.26Å; Y186-M219 PolarHBondContact OH-SD 3.23Å |
| 187 | Q | 89.7 | Confident | 95.3 | Very high | 143 Ų | 143 | 44.3 Ų | 44.3 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -135 | 153.8 | 177.4 | 65.7 | -175.6 | 13.1 | 0 | 0 | 109 | R185 P189 | R185-Q187 WeakPolarHBondContact CB-O 3.4Å; R185-Q187 WeakPolarHBondContact CD-O 3.35Å; R185-Q187 WeakPolarHBondContact CG-O 3.35Å; Q187-P189 WeakPolarHBondContact O-CD 3.5Å |
| 188 | E | 93.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -70 | 122.9 | 171.9 | -178.1 | 153 | -142.7 | 0 | 0 | 109.6 | L110 R185 | L110-E188 HydrophobicContact CD1-CG 4.16Å; L110-E188 HydrophobicContact CD2-CB 4.06Å; L110-E188 HydrophobicContact CD2-CG 3.8Å; R185-E188 IonicContact CZ-OE1 2.94Å; R185-E188 IonicContact NH1-OE1 3.33Å; R185-E188 IonicContact NH2-OE1 3.13Å; R185-E188 PolarHBondContact NH2-OE1 2.95Å; R185-E188 IonicContact NH2-OE2 3.46Å |
| 189 | P | 96.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -72 | 150 | 176.5 | 33.6 | -38.5 | 0 | 0 | 0 | 109.9 | I160 L163 Q187 E193 V195 L212 | I160-P189 HydrophobicContact CD1-CB 4.04Å; I160-P189 HydrophobicContact CD1-CG 3.49Å; I160-P189 VanDerWaalsContact CD1-CG 3.49Å; I160-P189 HydrophobicContact CG1-CB 3.85Å; I160-P189 HydrophobicContact CG1-CG 3.85Å; I160-P189 HydrophobicContact CG2-CG 4.38Å; L163-P189 WeakPolarHBondContact CD2-O 3.46Å; Q187-P189 WeakPolarHBondContact O-CD 3.5Å; P189-E193 VanDerWaalsContact CA-OE2 3.27Å; P189-E193 WeakPolarHBondContact CA-OE2 3.4Å; P189-E193 WeakPolarHBondContact CB-OE2 3.36Å; P189-V195 HydrophobicContact CB-CG1 4.32Å; P189-L212 HydrophobicContact CB-CD1 4.3Å; P189-L212 HydrophobicContact CG-CD1 4.01Å |
| 190 | R | 97.6 | Very high | 95 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 162.8 | -177.2 | 65 | -170.6 | 176.6 | -75.1 | -10.1 | 111.7 | L110 W111 D116 I160 G192 E193 | L110-R190 WeakPolarHBondContact O-CB 3.18Å; W111-R190 WeakPolarHBondContact O-CD 3.44Å; D116-R190 IonicContact OD1-CZ 3.93Å; D116-R190 IonicContact OD1-NE 3.98Å; D116-R190 IonicContact OD1-NH2 2.59Å; D116-R190 PolarHBondContact OD1-NH2 3.42Å; D116-R190 IonicContact OD2-CZ 3.16Å; D116-R190 IonicContact OD2-NE 3.83Å; D116-R190 PolarHBondContact OD2-NE 3.22Å; D116-R190 IonicContact OD2-NH2 3.69Å; D116-R190 PolarHBondContact OD2-NH2 2.93Å; I160-R190 WeakPolarHBondContact CB-O 3.47Å; I160-R190 WeakPolarHBondContact CG2-O 3.39Å; R190-G192 PolarHBondContact O-N 2.82Å; R190-E193 HydrophobicContact CG-CB 3.74Å; R190-E193 HydrophobicContact CG-CG 4.39Å; R190-E193 IonicContact CZ-OE1 3.63Å; R190-E193 IonicContact CZ-OE2 2.69Å; R190-E193 PolarHBondContact N-OE2 3.31Å; R190-E193 IonicContact NH1-OE1 2.72Å; R190-E193 PolarHBondContact NH1-OE1 2.71Å; R190-E193 IonicContact NH1-OE2 2.74Å; R190-E193 PolarHBondContact NH1-OE2 3.33Å; R190-E193 VanDerWaalsContact NH1-OE2 3.13Å; R190-E193 IonicContact NH2-OE1 3.09Å; R190-E193 VanDerWaalsContact O-CB 3.26Å; R190-E193 WeakPolarHBondContact O-CB 3.23Å; R190-E193 PolarHBondContact O-N 2.77Å |
| 191 | L | 98.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 134.1 | 175 | 178.7 | 66.1 | 0 | 0 | 0 | 110 | P105 L110 P112 L118 L134 Y161 L163 E193 | P105-L191 HydrophobicContact CG-CB 4.14Å; P105-L191 HydrophobicContact CG-CD2 4.44Å; L110-L191 PolarHBondContact O-N 2.99Å; P112-L191 VanDerWaalsContact CA-O 3.25Å; P112-L191 WeakPolarHBondContact CA-O 3.42Å; P112-L191 VanDerWaalsContact CB-O 3.32Å; P112-L191 WeakPolarHBondContact CB-O 3.24Å; L118-L191 HydrophobicContact CD2-CD1 4.39Å; L118-L191 HydrophobicContact CD2-CD2 4.18Å; L118-L191 HydrophobicContact CD2-CG 3.8Å; L134-L191 HydrophobicContact CD1-CD2 4.05Å; Y161-L191 WeakPolarHBondContact O-CD1 3.4Å; L163-L191 HydrophobicContact CD1-CB 4.33Å; L191-E193 PolarHBondContact O-N 2.81Å |
| 192 | G | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -6.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | D116 R117 I160 R190 V194 | D116-G192 WeakPolarHBondContact CB-O 3.41Å; R117-G192 PolarHBondContact N-O 3.28Å; R117-G192 WeakPolarHBondContact O-CA 3.19Å; I160-G192 WeakPolarHBondContact O-CA 3.34Å; I160-G192 PolarHBondContact O-N 2.87Å; R190-G192 PolarHBondContact O-N 2.82Å; G192-V194 PolarHBondContact O-N 2.8Å |
| 193 | E | 98.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -61.1 | 129.4 | 179.8 | -172.6 | 166.4 | -162.7 | 0 | 0 | 110.9 | T159 I160 P189 R190 L191 V195 | T159-E193 WeakPolarHBondContact CA-O 3.46Å; I160-E193 HydrophobicContact CG1-CB 4.44Å; I160-E193 PolarHBondContact N-O 2.83Å; P189-E193 VanDerWaalsContact CA-OE2 3.27Å; P189-E193 WeakPolarHBondContact CA-OE2 3.4Å; P189-E193 WeakPolarHBondContact CB-OE2 3.36Å; R190-E193 HydrophobicContact CG-CB 3.74Å; R190-E193 HydrophobicContact CG-CG 4.39Å; R190-E193 IonicContact CZ-OE1 3.63Å; R190-E193 IonicContact CZ-OE2 2.69Å; R190-E193 PolarHBondContact N-OE2 3.31Å; R190-E193 IonicContact NH1-OE1 2.72Å; R190-E193 PolarHBondContact NH1-OE1 2.71Å; R190-E193 IonicContact NH1-OE2 2.74Å; R190-E193 PolarHBondContact NH1-OE2 3.33Å; R190-E193 VanDerWaalsContact NH1-OE2 3.13Å; R190-E193 IonicContact NH2-OE1 3.09Å; R190-E193 VanDerWaalsContact O-CB 3.26Å; R190-E193 WeakPolarHBondContact O-CB 3.23Å; R190-E193 PolarHBondContact O-N 2.77Å; L191-E193 PolarHBondContact O-N 2.81Å; E193-V195 HydrophobicContact CB-CG1 4.37Å; E193-V195 HydrophobicContact CG-CG1 3.74Å | ||
| 194 | V | 98.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.5 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | R117 K157 G158 G192 | R117-V194 HydrophobicContact CG-CG2 4.02Å; K157-V194 HydrophobicContact CD-CG1 4.11Å; K157-V194 HydrophobicContact CG-CG1 3.78Å; G158-V194 CarbonylContact O-C 3.59Å; G158-V194 VanDerWaalsContact O-CA 3.31Å; G158-V194 WeakPolarHBondContact O-CA 3.47Å; G192-V194 PolarHBondContact O-N 2.8Å |
| 195 | V | 96.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.3 | -176.2 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | K157 G158 I160 L170 P189 E193 L212 | K157-V195 CarbonylContact C-O 3.5Å; K157-V195 WeakPolarHBondContact CA-O 3.41Å; G158-V195 PolarHBondContact N-O 3.13Å; G158-V195 PolarHBondContact O-N 3.02Å; I160-V195 HydrophobicContact CD1-CG2 4.22Å; I160-V195 HydrophobicContact CG1-CG1 4.17Å; I160-V195 HydrophobicContact CG1-CG2 4.13Å; L170-V195 HydrophobicContact CD2-CG2 4.03Å; P189-V195 HydrophobicContact CB-CG1 4.32Å; E193-V195 HydrophobicContact CB-CG1 4.37Å; E193-V195 HydrophobicContact CG-CG1 3.74Å; V195-L212 HydrophobicContact CB-CD2 3.7Å; V195-L212 HydrophobicContact CG1-CD2 4.27Å; V195-L212 HydrophobicContact CG2-CD2 3.81Å |
| 196 | E | 96.3 | Very high | 95.4 | Very high | 128 Ų | 128 | 54 Ų | 54 | 60% | 0.598 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.1 | 162.6 | -170.8 | 177.3 | 167.2 | 0 | 0 | 108 | N155 | N155-E196 HydrophobicContact CB-CG 4.24Å; N155-E196 WeakPolarHBondContact CB-OE1 3.48Å; N155-E196 PolarHBondContact ND2-OE1 2.8Å |
| 197 | A | 96 | Very high | 96 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110 | K156 L170 M210 S211 L212 | K156-A197 PolarHBondContact N-O 2.99Å; K156-A197 PolarHBondContact O-N 3.37Å; L170-A197 HydrophobicContact CD2-CB 4.11Å; A197-M210 HydrophobicContact CB-CB 3.97Å; A197-M210 HydrophobicContact CB-CE 3.63Å; A197-M210 HydrophobicContact CB-SD 4.15Å; A197-M210 WeakPolarHBondContact O-CE 3.49Å; A197-S211 CarbonylContact C-O 3.54Å; A197-S211 WeakPolarHBondContact CA-O 3.38Å; A197-L212 HydrophobicContact CB-CD2 3.6Å |
| 198 | R | 95.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.9 | 179.4 | 177.5 | 177.7 | 61.2 | 150.9 | -5.6 | 111 | N153 E154 I200 M210 S211 | N153-R198 VanDerWaalsContact OD1-CD 3.32Å; N153-R198 WeakPolarHBondContact OD1-CD 3.42Å; N153-R198 PolarHBondContact OD1-NH1 3.12Å; E154-R198 CarbonylContact O-C 3.47Å; E154-R198 VanDerWaalsContact O-CA 3.31Å; E154-R198 WeakPolarHBondContact O-CA 3.11Å; R198-I200 PolarHBondContact O-N 2.95Å; R198-M210 CarbonylContact O-C 3.44Å; R198-M210 WeakPolarHBondContact O-CA 3.37Å; R198-S211 PolarHBondContact N-O 2.95Å; R198-S211 PolarHBondContact O-N 2.83Å |
| 199 | V | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 124.3 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | M151 N153 E154 K156 V202 L208 M210 | M151-V199 VanDerWaalsContact O-CB 3.23Å; M151-V199 WeakPolarHBondContact O-CB 3.12Å; N153-V199 VanDerWaalsContact CA-O 3.23Å; N153-V199 WeakPolarHBondContact CA-O 3.4Å; N153-V199 PolarHBondContact N-O 3.13Å; E154-V199 PolarHBondContact O-N 2.88Å; K156-V199 HydrophobicContact CG-CG2 4.31Å; V199-V202 HydrophobicContact CG1-CG2 4.26Å; V199-L208 HydrophobicContact CG1-CD2 4.2Å; V199-L208 HydrophobicContact CG2-CB 4.45Å; V199-L208 HydrophobicContact CG2-CD1 3.95Å; V199-L208 HydrophobicContact CG2-CD2 4.46Å; V199-M210 HydrophobicContact CG2-CE 3.95Å |
| 200 | I | 95.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -7.8 | 177.8 | 59 | 164.8 | 0 | 0 | 0 | 112.9 | Q152 E184 R198 N209 | Q152-I200 PolarHBondContact NE2-O 2.8Å; Q152-I200 PolarHBondContact OE1-O 2.84Å; E184-I200 HydrophobicContact CG-CD1 3.72Å; R198-I200 PolarHBondContact O-N 2.95Å; I200-N209 HydrophobicContact CG1-CB 4.05Å; I200-N209 VanDerWaalsContact CG1-O 3.26Å; I200-N209 WeakPolarHBondContact CG1-O 3.36Å; I200-N209 PolarHBondContact N-O 2.93Å |
| 201 | G | 95.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | 168.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q152 N209 | Q152-G201 VanDerWaalsContact OE1-CA 3.24Å; Q152-G201 VanDerWaalsContact OE1-N 3.11Å; G201-N209 PolarHBondContact N-O 2.92Å; G201-N209 PolarHBondContact O-N 2.96Å |
| 202 | V | 97.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | T148 V199 L208 | T148-V202 WeakPolarHBondContact O-CG2 3.44Å; V199-V202 HydrophobicContact CG1-CG2 4.26Å; V202-L208 HydrophobicContact CG1-CD2 4.32Å; V202-L208 HydrophobicContact CG2-CD2 3.68Å |
| 203 | R | 94.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | trans | -76.8 | 159.7 | 176.9 | -74 | 168.6 | 48 | 158.1 | 4.7 | 110.8 | D205 G206 V207 | R203-D205 WeakPolarHBondContact CB-OD1 3.35Å; R203-D205 IonicContact CZ-OD1 3.61Å; R203-D205 IonicContact CZ-OD2 2.65Å; R203-D205 VanDerWaalsContact CZ-OD2 3.3Å; R203-D205 IonicContact NE-OD1 2.88Å; R203-D205 PolarHBondContact NE-OD1 3.41Å; R203-D205 VanDerWaalsContact NE-OD1 3.17Å; R203-D205 IonicContact NE-OD2 2.8Å; R203-D205 PolarHBondContact NE-OD2 2.79Å; R203-D205 IonicContact NH2-OD1 2.91Å; R203-D205 IonicContact NH2-OD2 3.22Å; R203-D205 PolarHBondContact NH2-OD2 2.72Å; R203-D205 PolarHBondContact O-N 3.32Å; R203-D205 VanDerWaalsContact O-N 3.13Å; R203-G206 PolarHBondContact O-N 3.07Å; R203-V207 HydrophobicContact CB-CB 4.35Å; R203-V207 WeakPolarHBondContact CB-O 3.31Å; R203-V207 PolarHBondContact N-O 3.09Å | ||
| 204 | P | 93.5 | Very high | 94.8 | Very high | 147 Ų | 147 | 43.3 Ų | 43.3 | 96% | 0.955 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.3 | 177.3 | -26 | 35.3 | 0 | 0 | 0 | 115.1 | G206 | P204-G206 VanDerWaalsContact C-N 3.25Š|
| 205 | D | 93.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.9 | 175.2 | 57.4 | 3.5 | 0 | 0 | 0 | 113.4 | R203 V207 | R203-D205 WeakPolarHBondContact CB-OD1 3.35Å; R203-D205 IonicContact CZ-OD1 3.61Å; R203-D205 IonicContact CZ-OD2 2.65Å; R203-D205 VanDerWaalsContact CZ-OD2 3.3Å; R203-D205 IonicContact NE-OD1 2.88Å; R203-D205 PolarHBondContact NE-OD1 3.41Å; R203-D205 VanDerWaalsContact NE-OD1 3.17Å; R203-D205 IonicContact NE-OD2 2.8Å; R203-D205 PolarHBondContact NE-OD2 2.79Å; R203-D205 IonicContact NH2-OD1 2.91Å; R203-D205 IonicContact NH2-OD2 3.22Å; R203-D205 PolarHBondContact NH2-OD2 2.72Å; R203-D205 PolarHBondContact O-N 3.32Å; R203-D205 VanDerWaalsContact O-N 3.13Å; D205-V207 VanDerWaalsContact C-N 3.3Å; D205-V207 PolarHBondContact O-N 3.13Å; D205-V207 WeakPolarHBondContact OD1-CB 3.38Å; D205-V207 PolarHBondContact OD1-N 3.12Å |
| 206 | G | 96 | Very high | 91.7 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 82 | 0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G147 R203 P204 | G147-G206 WeakPolarHBondContact CA-O 3.33Å; G147-G206 PolarHBondContact N-O 2.74Å; R203-G206 PolarHBondContact O-N 3.07Å; P204-G206 VanDerWaalsContact C-N 3.25Å |
| 207 | V | 97.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -70 | 132.2 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | I177 F179 R203 D205 | I177-V207 HydrophobicContact CB-CG2 4.35Å; I177-V207 HydrophobicContact CG2-CG1 4.09Å; I177-V207 HydrophobicContact CG2-CG2 4.13Å; F179-V207 HydrophobicContact CB-CG1 3.99Å; R203-V207 HydrophobicContact CB-CB 4.35Å; R203-V207 WeakPolarHBondContact CB-O 3.31Å; R203-V207 PolarHBondContact N-O 3.09Å; D205-V207 VanDerWaalsContact C-N 3.3Å; D205-V207 PolarHBondContact O-N 3.13Å; D205-V207 WeakPolarHBondContact OD1-CB 3.38Å; D205-V207 PolarHBondContact OD1-N 3.12Å |
| 208 | L | 98.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121 | 176.8 | -55.9 | 179.5 | 0 | 0 | 0 | 109.4 | M151 Y176 I177 G178 F179 V199 V202 M210 | M151-L208 HydrophobicContact SD-CD2 4.12Å; Y176-L208 HydrophobicContact CG-CD1 4.06Å; I177-L208 PolarHBondContact O-N 2.99Å; G178-L208 CarbonylContact C-O 3.54Å; G178-L208 VanDerWaalsContact CA-O 3.26Å; G178-L208 WeakPolarHBondContact CA-O 3.41Å; F179-L208 PolarHBondContact N-O 3.43Å; V199-L208 HydrophobicContact CG1-CD2 4.2Å; V199-L208 HydrophobicContact CG2-CB 4.45Å; V199-L208 HydrophobicContact CG2-CD1 3.95Å; V199-L208 HydrophobicContact CG2-CD2 4.46Å; V202-L208 HydrophobicContact CG1-CD2 4.32Å; V202-L208 HydrophobicContact CG2-CD2 3.68Å; L208-M210 HydrophobicContact CB-CG 3.83Å; L208-M210 HydrophobicContact CB-SD 4.18Å |
| 209 | N | 98.3 | Very high | 85.7 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127 | 162.9 | -69.9 | -38.1 | 0 | 0 | 0 | 107.8 | I200 G201 | I200-N209 HydrophobicContact CG1-CB 4.05Å; I200-N209 VanDerWaalsContact CG1-O 3.26Å; I200-N209 WeakPolarHBondContact CG1-O 3.36Å; I200-N209 PolarHBondContact N-O 2.93Å; G201-N209 PolarHBondContact N-O 2.92Å; G201-N209 PolarHBondContact O-N 2.96Å |
| 210 | M | 98 | Very high | 84.1 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.9 | -170 | -56.4 | -168.1 | 82.4 | 0 | 0 | 112.7 | K156 L170 T172 F179 V180 A197 R198 V199 L208 | K156-M210 HydrophobicContact CB-CE 3.74Å; K156-M210 HydrophobicContact CG-CE 4.11Å; L170-M210 HydrophobicContact CD1-SD 3.8Å; L170-M210 HydrophobicContact CD2-SD 4Å; L170-M210 HydrophobicContact CG-SD 4.22Å; T172-M210 HydrophobicContact CG2-SD 4.4Å; F179-M210 PolarHBondContact O-N 3.12Å; V180-M210 HydrophobicContact CG2-CB 4.09Å; A197-M210 HydrophobicContact CB-CB 3.97Å; A197-M210 HydrophobicContact CB-CE 3.63Å; A197-M210 HydrophobicContact CB-SD 4.15Å; A197-M210 WeakPolarHBondContact O-CE 3.49Å; R198-M210 CarbonylContact O-C 3.44Å; R198-M210 WeakPolarHBondContact O-CA 3.37Å; V199-M210 HydrophobicContact CG2-CE 3.95Å; L208-M210 HydrophobicContact CB-CG 3.83Å; L208-M210 HydrophobicContact CB-SD 4.18Å |
| 211 | S | 95.2 | Very high | 83.1 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.9 | 177.7 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | E184 A197 R198 K213 | E184-S211 PolarHBondContact O-OG 2.87Å; E184-S211 VanDerWaalsContact OE2-CB 3.23Å; E184-S211 WeakPolarHBondContact OE2-CB 3.31Å; E184-S211 PolarHBondContact OE2-OG 3.24Å; A197-S211 CarbonylContact C-O 3.54Å; A197-S211 WeakPolarHBondContact CA-O 3.38Å; R198-S211 PolarHBondContact N-O 2.95Å; R198-S211 PolarHBondContact O-N 2.83Å; S211-K213 PolarHBondContact OG-N 3.36Å |
| 212 | L | 94.2 | Very high | 82.5 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | trans | -92 | -4 | 170.7 | -63.8 | 177.9 | 0 | 0 | 0 | 111.8 | V180 E184 R185 P189 V195 A197 | V180-L212 HydrophobicContact CG1-CD1 4.06Å; V180-L212 HydrophobicContact CG1-CG 3.98Å; V180-L212 HydrophobicContact CG2-CD1 4.43Å; V180-L212 HydrophobicContact CG2-CG 4.15Å; E184-L212 PolarHBondContact O-N 2.88Å; R185-L212 HydrophobicContact CB-CB 4.27Å; R185-L212 HydrophobicContact CB-CD1 4.2Å; P189-L212 HydrophobicContact CB-CD1 4.3Å; P189-L212 HydrophobicContact CG-CD1 4.01Å; V195-L212 HydrophobicContact CB-CD2 3.7Å; V195-L212 HydrophobicContact CG1-CD2 4.27Å; V195-L212 HydrophobicContact CG2-CD2 3.81Å; A197-L212 HydrophobicContact CB-CD2 3.6Å | ||
| 213 | K | 87.6 | Confident | 82.1 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 30% | 0.3 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -73.6 | 141.6 | 172.6 | -71.8 | 178.5 | 171.4 | 178.4 | 0 | 109.5 | S183 E184 Y186 S211 | S183-K213 WeakPolarHBondContact O-CE 3.47Å; S183-K213 PolarHBondContact O-NZ 3Å; E184-K213 PolarHBondContact O-N 3.08Å; Y186-K213 HydrophobicContact CE1-CD 4.46Å; Y186-K213 HydrophobicContact CE1-CG 4.31Å; Y186-K213 HydrophobicContact CE2-CG 4.1Å; S211-K213 PolarHBondContact OG-N 3.36Å |
| 214 | P | 76.3 | Confident | 81.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58 | 159.3 | 169 | 28.9 | -35.4 | 0 | 0 | 0 | 109.8 | Y186 E218 M219 | Y186-P214 VanDerWaalsContact CE2-CD 3.49Å; Y186-P214 HydrophobicContact CE2-CG 4.27Å; Y186-P214 WeakPolarHBondContact OH-CD 3.26Å; P214-E218 WeakPolarHBondContact CA-OE2 3.48Å; P214-E218 HydrophobicContact CB-CB 4Å; P214-E218 WeakPolarHBondContact CB-OE2 3.34Å; P214-M219 HydrophobicContact CG-CG 3.74Å; P214-M219 HydrophobicContact CG-SD 4.47Å |
| 215 | R | 71.7 | Confident | 81.5 | Confident | 37 Ų | 37 | 46 Ų | 46 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 147.6 | 173.6 | -58.8 | -157.3 | 175.4 | 71.2 | -0.3 | 108.1 | N153 N155 Y217 E218 M219 | N153-R215 PolarHBondContact O-NH2 2.84Å; N153-R215 PolarHBondContact OD1-NE 2.75Å; N153-R215 VanDerWaalsContact OD1-NE 3.08Å; N155-R215 PolarHBondContact OD1-NH2 2.86Å; R215-Y217 HydrophobicContact CB-CD1 3.69Å; R215-Y217 HydrophobicContact CB-CE1 3.35Å; R215-Y217 HydrophobicContact CB-CE2 4.45Å; R215-Y217 HydrophobicContact CB-CG 4.38Å; R215-Y217 WeakPolarHBondContact CD-OH 3.35Å; R215-Y217 HydrophobicContact CG-CE1 3.89Å; R215-Y217 PolarHBondContact O-N 2.8Å; R215-E218 HydrophobicContact CB-CG 4.19Å; R215-E218 PolarHBondContact N-OE2 3.31Å; R215-E218 IonicContact NH1-OE1 3.3Å; R215-E218 WeakPolarHBondContact O-CA 3.43Å; R215-E218 VanDerWaalsContact O-CB 3.25Å; R215-E218 WeakPolarHBondContact O-CB 3.42Å; R215-E218 PolarHBondContact O-N 3.13Å; R215-M219 PolarHBondContact O-N 3.08Å |
| 216 | S | 59.3 | Low | 81.3 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -65.2 | -25.8 | -172.8 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | E218 M219 E271 | S216-E218 PolarHBondContact O-N 3.38Å; S216-M219 PolarHBondContact O-N 3.33Å; S216-E271 WeakPolarHBondContact CB-OE2 3.38Å; S216-E271 PolarHBondContact OG-OE2 3.37Å |
| 217 | Y | 53.9 | Low | 81.1 | Confident | 114 Ų | 114 | 44.3 Ų | 44.3 | 45% | 0.447 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -68.7 | -15 | 168.9 | 71.4 | -104 | 0 | 0 | 0 | 113.9 | R215 I220 | R215-Y217 HydrophobicContact CB-CD1 3.69Å; R215-Y217 HydrophobicContact CB-CE1 3.35Å; R215-Y217 HydrophobicContact CB-CE2 4.45Å; R215-Y217 HydrophobicContact CB-CG 4.38Å; R215-Y217 WeakPolarHBondContact CD-OH 3.35Å; R215-Y217 HydrophobicContact CG-CE1 3.89Å; R215-Y217 PolarHBondContact O-N 2.8Å; Y217-I220 WeakPolarHBondContact O-CD1 3.48Å; Y217-I220 WeakPolarHBondContact O-CG1 3.41Å |
| 218 | E | 55.6 | Low | 80.7 | Confident | 99 Ų | 99 | 45 Ų | 45 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -87.6 | -14.5 | 173.7 | -59.6 | 167.2 | 175.4 | 0 | 0 | 111.4 | P214 R215 S216 I220 | P214-E218 WeakPolarHBondContact CA-OE2 3.48Å; P214-E218 HydrophobicContact CB-CB 4Å; P214-E218 WeakPolarHBondContact CB-OE2 3.34Å; R215-E218 HydrophobicContact CB-CG 4.19Å; R215-E218 PolarHBondContact N-OE2 3.31Å; R215-E218 IonicContact NH1-OE1 3.3Å; R215-E218 WeakPolarHBondContact O-CA 3.43Å; R215-E218 VanDerWaalsContact O-CB 3.25Å; R215-E218 WeakPolarHBondContact O-CB 3.42Å; R215-E218 PolarHBondContact O-N 3.13Å; S216-E218 PolarHBondContact O-N 3.38Å; E218-I220 VanDerWaalsContact C-N 3.35Å |
| 219 | M | 52.3 | Low | 80.2 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -91.2 | 6.9 | 175.8 | -71.9 | -161.6 | -66.4 | 0 | 0 | 114.1 | Y186 P214 R215 S216 N221 | Y186-M219 PolarHBondContact OH-SD 3.23Å; P214-M219 HydrophobicContact CG-CG 3.74Å; P214-M219 HydrophobicContact CG-SD 4.47Å; R215-M219 PolarHBondContact O-N 3.08Å; S216-M219 PolarHBondContact O-N 3.33Å; M219-N221 PolarHBondContact O-N 2.77Å; M219-N221 VanDerWaalsContact O-N 3.13Å |
| 220 | I | 62.6 | Low | 79.8 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.108 | 25% | 0.251 | C | S | . | . | trans | -61.5 | 120.9 | -179.3 | -59.7 | 176.6 | 0 | 0 | 0 | 107.9 | Y217 E218 A224 A225 L228 L268 L273 | Y217-I220 WeakPolarHBondContact O-CD1 3.48Å; Y217-I220 WeakPolarHBondContact O-CG1 3.41Å; E218-I220 VanDerWaalsContact C-N 3.35Å; I220-A224 HydrophobicContact CG2-CB 3.14Å; I220-A225 HydrophobicContact CB-CB 4.38Å; I220-A225 HydrophobicContact CG2-CB 3.89Å; I220-L228 HydrophobicContact CD1-CD2 3.62Å; I220-L268 HydrophobicContact CD1-CD2 4.02Å; I220-L268 HydrophobicContact CG1-CD2 4.41Å; I220-L268 HydrophobicContact CG2-CD2 4.16Å; I220-L273 HydrophobicContact CD1-CD1 3.56Å; I220-L273 HydrophobicContact CG1-CD1 4.24Å | ||
| 221 | N | 74.7 | Confident | 79.6 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 31% | 0.305 | 25% | 0.25 | S | S | . | . | trans | -61.5 | 156.2 | 174 | 73.5 | -25.6 | 0 | 0 | 0 | 110.3 | M219 D223 A224 A225 | M219-N221 PolarHBondContact O-N 2.77Å; M219-N221 VanDerWaalsContact O-N 3.13Å; N221-D223 PolarHBondContact O-N 3.02Å; N221-A224 PolarHBondContact O-N 3.33Å; N221-A224 WeakPolarHBondContact OD1-CB 3.26Å; N221-A224 PolarHBondContact OD1-N 3.42Å; N221-A225 PolarHBondContact O-N 2.95Å | ||
| 222 | D | 82.9 | Confident | 79.3 | Confident | 146 Ų | 146 | 53.5 Ų | 53.5 | 78% | 0.781 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -48.4 | -39.8 | -175.3 | -61.8 | -22.4 | 0 | 0 | 0 | 113.1 | A225 M226 | D222-A225 PolarHBondContact O-N 2.87Å; D222-M226 WeakPolarHBondContact O-CB 3.35Å; D222-M226 PolarHBondContact O-N 2.84Å |
| 223 | D | 88.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.1 | -62 | -27.1 | 0 | 0 | 0 | 112.6 | N221 I227 I256 Q260 A264 | N221-D223 PolarHBondContact O-N 3.02Å; D223-I227 WeakPolarHBondContact O-CG1 3.36Å; D223-I227 PolarHBondContact O-N 3.03Å; D223-I227 VanDerWaalsContact O-N 3.16Å; D223-I256 HydrophobicContact CB-CD1 4.08Å; D223-I256 WeakPolarHBondContact OD1-CG2 3.24Å; D223-Q260 WeakPolarHBondContact OD2-CB 3.46Å; D223-Q260 WeakPolarHBondContact OD2-CG 3.07Å; D223-Q260 PolarHBondContact OD2-NE2 3.12Å; D223-A264 HydrophobicContact CB-CB 4Å |
| 224 | A | 88.3 | Confident | 79 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.6 | -28.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I220 N221 I227 L228 A264 L268 | I220-A224 HydrophobicContact CG2-CB 3.14Å; N221-A224 PolarHBondContact O-N 3.33Å; N221-A224 WeakPolarHBondContact OD1-CB 3.26Å; N221-A224 PolarHBondContact OD1-N 3.42Å; A224-I227 PolarHBondContact O-N 2.82Å; A224-L228 WeakPolarHBondContact O-CB 3.29Å; A224-L228 PolarHBondContact O-N 2.96Å; A224-A264 HydrophobicContact CB-CB 3.69Å; A224-L268 HydrophobicContact CB-CD1 4.19Å; A224-L268 HydrophobicContact CB-CD2 4.04Å; A224-L268 HydrophobicContact CB-CG 3.89Å |
| 225 | A | 86.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I220 N221 D222 L228 T229 | I220-A225 HydrophobicContact CB-CB 4.38Å; I220-A225 HydrophobicContact CG2-CB 3.89Å; N221-A225 PolarHBondContact O-N 2.95Å; D222-A225 PolarHBondContact O-N 2.87Å; A225-L228 PolarHBondContact O-N 2.74Å; A225-T229 WeakPolarHBondContact O-CB 3.27Å; A225-T229 PolarHBondContact O-N 2.74Å; A225-T229 PolarHBondContact O-OG1 2.94Å |
| 226 | M | 90.2 | Very high | 80.3 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 170 | 176.8 | -170.8 | 66.1 | 0 | 0 | 111.4 | D222 L228 T229 M230 F254 I256 | D222-M226 WeakPolarHBondContact O-CB 3.35Å; D222-M226 PolarHBondContact O-N 2.84Å; M226-L228 PolarHBondContact O-N 3.04Å; M226-T229 PolarHBondContact O-N 2.94Å; M226-M230 HydrophobicContact CG-CE 4.06Å; M226-M230 HydrophobicContact CG-SD 4.48Å; M226-M230 WeakPolarHBondContact O-CG 3.47Å; M226-M230 PolarHBondContact O-N 2.9Å; M226-M230 HydrophobicContact SD-CE 4.3Å; M226-F254 HydrophobicContact CE-CB 3.79Å; M226-F254 HydrophobicContact CE-CD1 4.23Å; M226-F254 HydrophobicContact CE-CG 4.48Å; M226-F254 VanDerWaalsContact CE-O 3.25Å; M226-F254 WeakPolarHBondContact CE-O 3.16Å; M226-I256 HydrophobicContact CE-CD1 3.98Å; M226-I256 HydrophobicContact CE-CG1 4.4Å; M226-I256 HydrophobicContact CE-CG2 4.09Å |
| 227 | I | 91.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.4 | -67 | 168.4 | 0 | 0 | 0 | 111.3 | D223 A224 T229 M230 L231 F254 I256 F261 A264 I265 L268 I281 | D223-I227 WeakPolarHBondContact O-CG1 3.36Å; D223-I227 PolarHBondContact O-N 3.03Å; D223-I227 VanDerWaalsContact O-N 3.16Å; A224-I227 PolarHBondContact O-N 2.82Å; I227-T229 VanDerWaalsContact C-N 3.32Å; I227-T229 PolarHBondContact O-N 2.89Å; I227-M230 PolarHBondContact O-N 2.78Å; I227-L231 HydrophobicContact CG2-CD1 4.14Å; I227-L231 PolarHBondContact O-N 3.07Å; I227-F254 HydrophobicContact CG1-CD1 3.9Å; I227-F254 HydrophobicContact CG1-CE1 3.95Å; I227-I256 HydrophobicContact CD1-CD1 4.48Å; I227-F261 HydrophobicContact CD1-CD2 3.58Å; I227-F261 HydrophobicContact CD1-CE2 3.72Å; I227-F261 HydrophobicContact CG1-CD2 4.49Å; I227-F261 HydrophobicContact CG1-CE2 4.41Å; I227-A264 HydrophobicContact CD1-CB 3.69Å; I227-I265 HydrophobicContact CD1-CD1 4.04Å; I227-I265 HydrophobicContact CG2-CD1 3.98Å; I227-L268 HydrophobicContact CB-CD1 4.21Å; I227-L268 HydrophobicContact CG2-CD1 3.94Å; I227-I281 HydrophobicContact CG2-CD1 3.79Å |
| 228 | L | 88.8 | Confident | 83.8 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 178 | -169.3 | 70.4 | 0 | 0 | 0 | 111.4 | I220 A224 A225 M226 L231 Q232 L268 L273 I274 L283 | I220-L228 HydrophobicContact CD1-CD2 3.62Å; A224-L228 WeakPolarHBondContact O-CB 3.29Å; A224-L228 PolarHBondContact O-N 2.96Å; A225-L228 PolarHBondContact O-N 2.74Å; M226-L228 PolarHBondContact O-N 3.04Å; L228-L231 WeakPolarHBondContact O-CB 3.41Å; L228-L231 PolarHBondContact O-N 2.69Å; L228-Q232 WeakPolarHBondContact O-CG 3.46Å; L228-Q232 PolarHBondContact O-N 2.79Å; L228-L268 HydrophobicContact CB-CD2 4.39Å; L228-L268 HydrophobicContact CD1-CD2 4.41Å; L228-L273 HydrophobicContact CD1-CB 4.32Å; L228-L273 HydrophobicContact CD2-CD1 4.39Å; L228-I274 HydrophobicContact CD1-CG2 4.37Å; L228-L283 HydrophobicContact CD1-CD1 3.62Å |
| 229 | T | 87.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | A225 M226 I227 Q232 R233 | A225-T229 WeakPolarHBondContact O-CB 3.27Å; A225-T229 PolarHBondContact O-N 2.74Å; A225-T229 PolarHBondContact O-OG1 2.94Å; M226-T229 PolarHBondContact O-N 2.94Å; I227-T229 VanDerWaalsContact C-N 3.32Å; I227-T229 PolarHBondContact O-N 2.89Å; T229-Q232 PolarHBondContact O-N 3.47Å; T229-R233 WeakPolarHBondContact O-CB 3.35Å; T229-R233 VanDerWaalsContact O-CG 3.31Å; T229-R233 WeakPolarHBondContact O-CG 3.42Å; T229-R233 PolarHBondContact O-N 2.8Å |
| 230 | M | 91.1 | Very high | 87.6 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.5 | -72.6 | -178 | 173.8 | 0 | 0 | 111.8 | M226 I227 R233 N234 L239 F254 | M226-M230 HydrophobicContact CG-CE 4.06Å; M226-M230 HydrophobicContact CG-SD 4.48Å; M226-M230 WeakPolarHBondContact O-CG 3.47Å; M226-M230 PolarHBondContact O-N 2.9Å; M226-M230 HydrophobicContact SD-CE 4.3Å; I227-M230 PolarHBondContact O-N 2.78Å; M230-R233 PolarHBondContact O-N 3.11Å; M230-N234 PolarHBondContact O-N 2.59Å; M230-L239 HydrophobicContact CB-CD1 3.9Å; M230-F254 HydrophobicContact CE-CD1 4.46Å; M230-F254 HydrophobicContact SD-CD1 3.59Å; M230-F254 VanDerWaalsContact SD-CD1 3.59Å; M230-F254 HydrophobicContact SD-CE1 3.71Å |
| 231 | L | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174 | -78.4 | 163.9 | 0 | 0 | 0 | 112.1 | I227 L228 R233 N234 H237 L239 I274 I281 L283 | I227-L231 HydrophobicContact CG2-CD1 4.14Å; I227-L231 PolarHBondContact O-N 3.07Å; L228-L231 WeakPolarHBondContact O-CB 3.41Å; L228-L231 PolarHBondContact O-N 2.69Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 2.78Å; L231-N234 PolarHBondContact O-N 2.88Å; L231-H237 WeakPolarHBondContact CD2-O 3.15Å; L231-H237 WeakPolarHBondContact O-CA 3.17Å; L231-H237 PolarHBondContact O-ND1 2.83Å; L231-L239 HydrophobicContact CD2-CB 4.13Å; L231-L239 HydrophobicContact CD2-CD1 4.02Å; L231-L239 HydrophobicContact CD2-CG 3.68Å; L231-L239 HydrophobicContact CG-CD1 3.78Å; L231-L239 HydrophobicContact CG-CG 3.99Å; L231-I274 HydrophobicContact CD1-CG2 3.56Å; L231-I281 HydrophobicContact CD1-CD1 4.29Å; L231-I281 HydrophobicContact CD2-CG1 4.26Å; L231-L283 HydrophobicContact CB-CD1 4.25Å |
| 232 | Q | 88.7 | Confident | 89.9 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | 178.2 | -73.9 | 173.7 | -16.6 | 0 | 0 | 112.7 | L228 T229 H237 L283 | L228-Q232 WeakPolarHBondContact O-CG 3.46Å; L228-Q232 PolarHBondContact O-N 2.79Å; T229-Q232 PolarHBondContact O-N 3.47Å; Q232-H237 PolarHBondContact O-CE1 3.02Å; Q232-H237 PolarHBondContact O-ND1 3.06Å; Q232-L283 HydrophobicContact CG-CD1 3.99Å |
| 233 | R | 87.3 | Confident | 89.9 | Confident | 210 Ų | 210 | 55.8 Ų | 55.8 | 79% | 0.792 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -80 | -21.2 | 178 | -72.5 | 179.7 | -178.9 | -172.1 | 1.9 | 113.6 | T229 M230 L231 | T229-R233 WeakPolarHBondContact O-CB 3.35Å; T229-R233 VanDerWaalsContact O-CG 3.31Å; T229-R233 WeakPolarHBondContact O-CG 3.42Å; T229-R233 PolarHBondContact O-N 2.8Å; M230-R233 PolarHBondContact O-N 3.11Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 2.78Å |
| 234 | N | 88.8 | Confident | 89.8 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -77.2 | 135.3 | 179.5 | -145.1 | 11.5 | 0 | 0 | 0 | 110.4 | M230 L231 D236 H237 S238 L239 | M230-N234 PolarHBondContact O-N 2.59Å; L231-N234 PolarHBondContact O-N 2.88Å; N234-D236 PolarHBondContact ND2-OD1 3.2Å; N234-D236 PolarHBondContact O-N 3.38Å; N234-H237 PolarHBondContact O-N 2.82Å; N234-H237 PolarHBondContact O-ND1 3.37Å; N234-S238 PolarHBondContact ND2-O 2.96Å; N234-L239 HydrophobicContact CB-CD2 4.45Å |
| 235 | P | 86.2 | Confident | 90 | Very high | 119 Ų | 119 | 61.9 Ų | 61.9 | 77% | 0.773 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29 | -172.9 | -26.8 | 36.2 | 0 | 0 | 0 | 115.2 | ||
| 236 | D | 90.4 | Very high | 90.2 | Very high | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.1 | -179.8 | 65.7 | -19 | 0 | 0 | 0 | 113.3 | N234 S238 R282 | N234-D236 PolarHBondContact ND2-OD1 3.2Å; N234-D236 PolarHBondContact O-N 3.38Å; D236-S238 PolarHBondContact O-N 2.87Å; D236-S238 VanDerWaalsContact O-N 3.15Å; D236-S238 PolarHBondContact O-OG 2.88Å; D236-S238 PolarHBondContact OD1-N 2.83Å; D236-S238 VanDerWaalsContact OD1-N 3.11Å; D236-S238 PolarHBondContact OD2-OG 3.25Å; D236-R282 PolarHBondContact O-NE 3.15Å; D236-R282 PolarHBondContact O-NH2 2.91Å |
| 237 | H | 91.9 | Very high | 90.3 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 39% | 0.394 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 51.3 | 26.3 | -171.5 | -61.1 | -53.1 | 0 | 0 | 0 | 114.5 | L231 Q232 N234 R282 L283 | L231-H237 WeakPolarHBondContact CD2-O 3.15Å; L231-H237 WeakPolarHBondContact O-CA 3.17Å; L231-H237 PolarHBondContact O-ND1 2.83Å; Q232-H237 PolarHBondContact O-CE1 3.02Å; Q232-H237 PolarHBondContact O-ND1 3.06Å; N234-H237 PolarHBondContact O-N 2.82Å; N234-H237 PolarHBondContact O-ND1 3.37Å; H237-R282 CarbonylContact O-C 3.19Å; H237-R282 WeakPolarHBondContact O-CA 3.45Å; H237-R282 VanDerWaalsContact O-CG 3.29Å; H237-R282 WeakPolarHBondContact O-CG 3.19Å; H237-L283 HydrophobicContact CB-CB 3.93Å; H237-L283 PolarHBondContact O-N 2.79Å |
| 238 | S | 93.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 159.6 | 175.5 | 19.6 | 0 | 0 | 0 | 0 | 111.4 | N234 D236 I281 | N234-S238 PolarHBondContact ND2-O 2.96Å; D236-S238 PolarHBondContact O-N 2.87Å; D236-S238 VanDerWaalsContact O-N 3.15Å; D236-S238 PolarHBondContact O-OG 2.88Å; D236-S238 PolarHBondContact OD1-N 2.83Å; D236-S238 VanDerWaalsContact OD1-N 3.11Å; D236-S238 PolarHBondContact OD2-OG 3.25Å; S238-I281 CarbonylContact C-O 3.59Å; S238-I281 WeakPolarHBondContact CA-O 3.41Å; S238-I281 WeakPolarHBondContact CB-O 3.46Å |
| 239 | L | 94.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138 | 168.4 | -67.2 | 172.3 | 0 | 0 | 0 | 108.1 | M230 L231 N234 Y241 F254 Q280 I281 | M230-L239 HydrophobicContact CB-CD1 3.9Å; L231-L239 HydrophobicContact CD2-CB 4.13Å; L231-L239 HydrophobicContact CD2-CD1 4.02Å; L231-L239 HydrophobicContact CD2-CG 3.68Å; L231-L239 HydrophobicContact CG-CD1 3.78Å; L231-L239 HydrophobicContact CG-CG 3.99Å; N234-L239 HydrophobicContact CB-CD2 4.45Å; L239-Y241 HydrophobicContact CB-CD2 4.03Å; L239-Y241 PolarHBondContact O-N 3.45Å; L239-F254 HydrophobicContact CD1-CE1 3.92Å; L239-F254 HydrophobicContact CD1-CZ 4.09Å; L239-Q280 VanDerWaalsContact O-CA 3.29Å; L239-Q280 WeakPolarHBondContact O-CA 3.48Å; L239-Q280 WeakPolarHBondContact O-CB 3.49Å; L239-I281 HydrophobicContact CB-CD1 4.29Å; L239-I281 HydrophobicContact CB-CG1 3.92Å; L239-I281 HydrophobicContact CD1-CD1 4.29Å; L239-I281 PolarHBondContact N-O 3.14Å; L239-I281 PolarHBondContact O-N 3.37Å |
| 240 | P | 93.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 69.9 Ų | 69.9 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -77.9 | 44.6 | -177 | 35.1 | -38 | 0 | 0 | 0 | 112.2 | G279 | P240-G279 CarbonylContact C-O 3.35Å; P240-G279 WeakPolarHBondContact CA-O 3.34Å |
| 241 | Y | 92.4 | Very high | 90.7 | Very high | 56 Ų | 56 | 72.7 Ų | 72.7 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | trans | -131.4 | 148.2 | 178.5 | -54.6 | -85.3 | 0 | 0 | 0 | 110.1 | L239 S245 E249 A253 F254 Q280 I281 | L239-Y241 HydrophobicContact CB-CD2 4.03Å; L239-Y241 PolarHBondContact O-N 3.45Å; Y241-S245 WeakPolarHBondContact CA-OG 3.42Å; Y241-E249 HydrophobicContact CE1-CB 4.31Å; Y241-A253 HydrophobicContact CE1-CB 3.84Å; Y241-A253 HydrophobicContact CE2-CB 3.98Å; Y241-A253 VanDerWaalsContact CZ-CB 3.43Å; Y241-A253 VanDerWaalsContact OH-CB 3.27Å; Y241-A253 WeakPolarHBondContact OH-CB 3.32Å; Y241-F254 HydrophobicContact CD1-CE2 4Å; Y241-F254 AromaticContact CD2-CE2 3.62Å; Y241-F254 HydrophobicContact CD2-CE2 3.62Å; Y241-F254 AromaticContact CD2-CZ 3.5Å; Y241-F254 HydrophobicContact CD2-CZ 3.5Å; Y241-F254 VanDerWaalsContact CD2-CZ 3.5Å; Y241-F254 HydrophobicContact CE1-CE2 4.44Å; Y241-F254 HydrophobicContact CE2-CE2 4.1Å; Y241-F254 HydrophobicContact CE2-CZ 4.04Å; Y241-F254 AromaticContact CG-CE2 3.58Å; Y241-F254 HydrophobicContact CG-CE2 3.58Å; Y241-F254 AromaticContact CG-CZ 3.89Å; Y241-F254 HydrophobicContact CG-CZ 3.89Å; Y241-Q280 CarbonylContact O-C 3.59Å; Y241-I281 WeakPolarHBondContact O-CG1 3.3Å; Y241-I281 WeakPolarHBondContact O-CG2 3.23Å; Y241-I281 PolarHBondContact O-N 2.87Å; Y241-I281 VanDerWaalsContact O-N 3.11Å | ||
| 242 | W | 92 | Very high | 90.6 | Very high | 47 Ų | 47 | 81 Ų | 81 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | trans | -154.4 | -179.4 | 176 | 73.6 | -55.5 | 0 | 0 | 0 | 110.5 | K244 S245 Q276 E278 | W242-K244 HydrophobicContact CD2-CB 4.08Å; W242-K244 HydrophobicContact CD2-CG 4.19Å; W242-K244 HydrophobicContact CE3-CG 4.12Å; W242-K244 HydrophobicContact CH2-CB 4.16Å; W242-K244 HydrophobicContact CH2-CD 3.35Å; W242-K244 VanDerWaalsContact CH2-CE 3.44Å; W242-K244 HydrophobicContact CH2-CG 3.71Å; W242-K244 HydrophobicContact CZ2-CB 3.61Å; W242-K244 HydrophobicContact CZ2-CD 3.56Å; W242-K244 HydrophobicContact CZ2-CG 3.71Å; W242-K244 HydrophobicContact CZ3-CD 3.91Å; W242-K244 HydrophobicContact CZ3-CG 3.89Å; W242-K244 PolarHBondContact O-N 3.11Å; W242-S245 PolarHBondContact N-OG 3.06Å; W242-S245 WeakPolarHBondContact O-CB 3.25Å; W242-S245 PolarHBondContact O-N 2.99Å; W242-S245 PolarHBondContact O-OG 3.31Å; W242-Q276 HydrophobicContact CB-CG 4.12Å; W242-E278 HydrophobicContact CH2-CB 4.36Å; W242-E278 HydrophobicContact CH2-CG 3.89Å; W242-E278 HydrophobicContact CZ2-CG 3.92Å | ||
| 243 | D | 83 | Confident | 90.7 | Very high | 41 Ų | 41 | 77.5 Ų | 77.5 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.2 | -172.6 | -84.2 | 24.8 | 0 | 0 | 0 | 114.5 | K262 I265 Q276 | D243-K262 WeakPolarHBondContact O-CE 3.44Å; D243-I265 WeakPolarHBondContact OD1-CG2 3.47Å; D243-Q276 PolarHBondContact OD1-NE2 2.91Å |
| 244 | K | 87.9 | Confident | 90.9 | Very high | 145 Ų | 145 | 68 Ų | 68 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2.8 | 176.8 | -49.3 | -168.1 | -167.2 | 167.4 | 0 | 114.7 | W242 | W242-K244 HydrophobicContact CD2-CB 4.08Å; W242-K244 HydrophobicContact CD2-CG 4.19Å; W242-K244 HydrophobicContact CE3-CG 4.12Å; W242-K244 HydrophobicContact CH2-CB 4.16Å; W242-K244 HydrophobicContact CH2-CD 3.35Å; W242-K244 VanDerWaalsContact CH2-CE 3.44Å; W242-K244 HydrophobicContact CH2-CG 3.71Å; W242-K244 HydrophobicContact CZ2-CB 3.61Å; W242-K244 HydrophobicContact CZ2-CD 3.56Å; W242-K244 HydrophobicContact CZ2-CG 3.71Å; W242-K244 HydrophobicContact CZ3-CD 3.91Å; W242-K244 HydrophobicContact CZ3-CG 3.89Å; W242-K244 PolarHBondContact O-N 3.11Å |
| 245 | S | 91.1 | Very high | 91 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -54.3 | 151.2 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | Y241 W242 K258 | Y241-S245 WeakPolarHBondContact CA-OG 3.42Å; W242-S245 PolarHBondContact N-OG 3.06Å; W242-S245 WeakPolarHBondContact O-CB 3.25Å; W242-S245 PolarHBondContact O-N 2.99Å; W242-S245 PolarHBondContact O-OG 3.31Å; S245-K258 WeakPolarHBondContact O-CE 3.44Å; S245-K258 PolarHBondContact O-NZ 2.89Å |
| 246 | A | 91.9 | Very high | 91.1 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -65.7 | 143.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E248 E249 I250 | A246-E248 PolarHBondContact O-N 3.23Å; A246-E249 HydrophobicContact CB-CB 4.33Å; A246-E249 HydrophobicContact CB-CG 3.94Å; A246-E249 PolarHBondContact N-OE2 2.9Å; A246-E249 VanDerWaalsContact N-OE2 3.1Å; A246-E249 PolarHBondContact O-N 3.21Å; A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 2.9Å; A246-I250 VanDerWaalsContact O-N 3.15Å | ||
| 247 | P | 91 | Very high | 91.2 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.9 | -38.8 | 179.4 | -23.6 | 31.2 | 0 | 0 | 0 | 113.9 | K251 K258 | P247-K251 WeakPolarHBondContact O-CB 3.45Å; P247-K251 PolarHBondContact O-N 3Å; P247-K258 HydrophobicContact CB-CB 4.31Å; P247-K258 HydrophobicContact CB-CD 4.27Å; P247-K258 HydrophobicContact CG-CD 3.78Å |
| 248 | E | 93.1 | Very high | 91.2 | Very high | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.7 | -42 | -179.8 | -57.7 | -52.3 | 150.3 | 0 | 0 | 112.1 | A246 I250 K251 E252 | A246-E248 PolarHBondContact O-N 3.23Å; E248-I250 VanDerWaalsContact C-N 3.32Å; E248-I250 PolarHBondContact O-N 2.93Å; E248-K251 PolarHBondContact O-N 2.91Å; E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 2.71Å |
| 249 | E | 92 | Very high | 91 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 175.2 | -67.9 | 169.3 | 174.4 | 0 | 0 | 111.8 | Y241 A246 A253 | Y241-E249 HydrophobicContact CE1-CB 4.31Å; A246-E249 HydrophobicContact CB-CB 4.33Å; A246-E249 HydrophobicContact CB-CG 3.94Å; A246-E249 PolarHBondContact N-OE2 2.9Å; A246-E249 VanDerWaalsContact N-OE2 3.1Å; A246-E249 PolarHBondContact O-N 3.21Å; E249-A253 VanDerWaalsContact O-CB 3.29Å; E249-A253 WeakPolarHBondContact O-CB 3.41Å; E249-A253 PolarHBondContact O-N 3.11Å |
| 250 | I | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177 | -66.2 | 171 | 0 | 0 | 0 | 110.2 | A246 E248 E252 A253 F254 K258 F261 | A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 2.9Å; A246-I250 VanDerWaalsContact O-N 3.15Å; E248-I250 VanDerWaalsContact C-N 3.32Å; E248-I250 PolarHBondContact O-N 2.93Å; I250-E252 VanDerWaalsContact C-N 3.35Å; I250-A253 PolarHBondContact O-N 2.56Å; I250-F254 HydrophobicContact CB-CD2 4.46Å; I250-F254 HydrophobicContact CG2-CD2 3.96Å; I250-F254 WeakPolarHBondContact O-CB 3.09Å; I250-F254 WeakPolarHBondContact O-CD2 3.42Å; I250-F254 PolarHBondContact O-N 3.4Å; I250-K258 HydrophobicContact CD1-CB 4.13Å; I250-K258 HydrophobicContact CD1-CD 4.15Å; I250-K258 HydrophobicContact CD1-CG 3.78Å; I250-F261 HydrophobicContact CD1-CB 4.42Å; I250-F261 HydrophobicContact CD1-CD1 3.73Å; I250-F261 HydrophobicContact CD1-CE1 4.23Å; I250-F261 HydrophobicContact CD1-CG 4.14Å; I250-F261 HydrophobicContact CG1-CD1 4.33Å; I250-F261 HydrophobicContact CG1-CG 4.45Å; I250-F261 HydrophobicContact CG2-CB 3.54Å; I250-F261 HydrophobicContact CG2-CD1 4.34Å; I250-F261 HydrophobicContact CG2-CD2 3.93Å; I250-F261 HydrophobicContact CG2-CG 3.68Å |
| 251 | K | 90.5 | Very high | 90.6 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | -178.3 | -172.5 | -178.6 | 177.3 | -171.3 | 0 | 111.6 | P247 E248 G255 | P247-K251 WeakPolarHBondContact O-CB 3.45Å; P247-K251 PolarHBondContact O-N 3Å; E248-K251 PolarHBondContact O-N 2.91Å; K251-G255 WeakPolarHBondContact O-CA 3.15Å; K251-G255 PolarHBondContact O-N 2.93Å |
| 252 | E | 91.4 | Very high | 90.6 | Very high | 176 Ų | 176 | 62.8 Ų | 62.8 | 82% | 0.822 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -43.4 | 176.7 | -173.8 | 173.7 | -168.4 | 0 | 0 | 111.9 | E248 I250 | E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 2.71Å; I250-E252 VanDerWaalsContact C-N 3.35Å |
| 253 | A | 90.2 | Very high | 90.5 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -77.2 | -40.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y241 E249 I250 | Y241-A253 HydrophobicContact CE1-CB 3.84Å; Y241-A253 HydrophobicContact CE2-CB 3.98Å; Y241-A253 VanDerWaalsContact CZ-CB 3.43Å; Y241-A253 VanDerWaalsContact OH-CB 3.27Å; Y241-A253 WeakPolarHBondContact OH-CB 3.32Å; E249-A253 VanDerWaalsContact O-CB 3.29Å; E249-A253 WeakPolarHBondContact O-CB 3.41Å; E249-A253 PolarHBondContact O-N 3.11Å; I250-A253 PolarHBondContact O-N 2.56Å |
| 254 | F | 91.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -113.5 | -11.2 | -170.2 | -58.9 | -75.9 | 0 | 0 | 0 | 113.8 | M226 I227 M230 L239 Y241 I250 I256 F261 | M226-F254 HydrophobicContact CE-CB 3.79Å; M226-F254 HydrophobicContact CE-CD1 4.23Å; M226-F254 HydrophobicContact CE-CG 4.48Å; M226-F254 VanDerWaalsContact CE-O 3.25Å; M226-F254 WeakPolarHBondContact CE-O 3.16Å; I227-F254 HydrophobicContact CG1-CD1 3.9Å; I227-F254 HydrophobicContact CG1-CE1 3.95Å; M230-F254 HydrophobicContact CE-CD1 4.46Å; M230-F254 HydrophobicContact SD-CD1 3.59Å; M230-F254 VanDerWaalsContact SD-CD1 3.59Å; M230-F254 HydrophobicContact SD-CE1 3.71Å; L239-F254 HydrophobicContact CD1-CE1 3.92Å; L239-F254 HydrophobicContact CD1-CZ 4.09Å; Y241-F254 HydrophobicContact CD1-CE2 4Å; Y241-F254 AromaticContact CD2-CE2 3.62Å; Y241-F254 HydrophobicContact CD2-CE2 3.62Å; Y241-F254 AromaticContact CD2-CZ 3.5Å; Y241-F254 HydrophobicContact CD2-CZ 3.5Å; Y241-F254 VanDerWaalsContact CD2-CZ 3.5Å; Y241-F254 HydrophobicContact CE1-CE2 4.44Å; Y241-F254 HydrophobicContact CE2-CE2 4.1Å; Y241-F254 HydrophobicContact CE2-CZ 4.04Å; Y241-F254 AromaticContact CG-CE2 3.58Å; Y241-F254 HydrophobicContact CG-CE2 3.58Å; Y241-F254 AromaticContact CG-CZ 3.89Å; Y241-F254 HydrophobicContact CG-CZ 3.89Å; I250-F254 HydrophobicContact CB-CD2 4.46Å; I250-F254 HydrophobicContact CG2-CD2 3.96Å; I250-F254 WeakPolarHBondContact O-CB 3.09Å; I250-F254 WeakPolarHBondContact O-CD2 3.42Å; I250-F254 PolarHBondContact O-N 3.4Å; F254-I256 HydrophobicContact CB-CD1 4.21Å; F254-I256 HydrophobicContact CB-CG1 3.74Å; F254-I256 PolarHBondContact O-N 2.97Å; F254-F261 AromaticContact CD2-CD2 3.82Å; F254-F261 HydrophobicContact CD2-CD2 3.82Å; F254-F261 AromaticContact CD2-CE2 3.79Å; F254-F261 HydrophobicContact CD2-CE2 3.79Å; F254-F261 HydrophobicContact CE1-CE2 4.22Å; F254-F261 AromaticContact CE2-CD2 3.91Å; F254-F261 HydrophobicContact CE2-CD2 3.91Å; F254-F261 AromaticContact CE2-CE2 3.37Å; F254-F261 HydrophobicContact CE2-CE2 3.37Å; F254-F261 HydrophobicContact CE2-CZ 4.11Å; F254-F261 HydrophobicContact CG-CD2 4.27Å; F254-F261 HydrophobicContact CG-CE2 4.39Å; F254-F261 HydrophobicContact CZ-CD2 4.41Å; F254-F261 AromaticContact CZ-CE2 3.61Å; F254-F261 HydrophobicContact CZ-CE2 3.61Å; F254-F261 HydrophobicContact CZ-CZ 4.38Å |
| 255 | G | 90.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 67% | 0.67 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 69.1 | 10.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K251 | K251-G255 WeakPolarHBondContact O-CA 3.15Å; K251-G255 PolarHBondContact O-N 2.93Å |
| 256 | I | 90.1 | Very high | 91 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -121.9 | 158.7 | -176 | 64.7 | 176.6 | 0 | 0 | 0 | 111.9 | D223 M226 I227 F254 Q260 F261 | D223-I256 HydrophobicContact CB-CD1 4.08Å; D223-I256 WeakPolarHBondContact OD1-CG2 3.24Å; M226-I256 HydrophobicContact CE-CD1 3.98Å; M226-I256 HydrophobicContact CE-CG1 4.4Å; M226-I256 HydrophobicContact CE-CG2 4.09Å; I227-I256 HydrophobicContact CD1-CD1 4.48Å; F254-I256 HydrophobicContact CB-CD1 4.21Å; F254-I256 HydrophobicContact CB-CG1 3.74Å; F254-I256 PolarHBondContact O-N 2.97Å; I256-Q260 HydrophobicContact CB-CB 3.99Å; I256-Q260 HydrophobicContact CD1-CB 4.11Å; I256-Q260 HydrophobicContact CG1-CB 4.33Å; I256-F261 HydrophobicContact CD1-CB 4.03Å; I256-F261 HydrophobicContact CD1-CD2 4.41Å; I256-F261 HydrophobicContact CG1-CB 4.37Å |
| 257 | S | 92.1 | Very high | 90.8 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | trans | -68.6 | 153.8 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | G259 Q260 F261 | S257-G259 PolarHBondContact O-N 2.74Å; S257-G259 VanDerWaalsContact O-N 3.1Å; S257-Q260 WeakPolarHBondContact O-CB 3.28Å; S257-Q260 PolarHBondContact O-N 2.9Å; S257-Q260 WeakPolarHBondContact OG-CG 3.23Å; S257-Q260 PolarHBondContact OG-N 3.28Å; S257-Q260 PolarHBondContact OG-OE1 2.98Å; S257-F261 PolarHBondContact O-N 2.72Å | ||
| 258 | K | 90.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -31.5 | 173.1 | -175.9 | 165.9 | -177.2 | 165 | 0 | 113.2 | S245 P247 I250 K262 | S245-K258 WeakPolarHBondContact O-CE 3.44Å; S245-K258 PolarHBondContact O-NZ 2.89Å; P247-K258 HydrophobicContact CB-CB 4.31Å; P247-K258 HydrophobicContact CB-CD 4.27Å; P247-K258 HydrophobicContact CG-CD 3.78Å; I250-K258 HydrophobicContact CD1-CB 4.13Å; I250-K258 HydrophobicContact CD1-CD 4.15Å; I250-K258 HydrophobicContact CD1-CG 3.78Å; K258-K262 WeakPolarHBondContact O-CG 3.44Å; K258-K262 PolarHBondContact O-N 2.93Å |
| 259 | G | 89.6 | Confident | 90.6 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.5 | -35 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S257 R263 | S257-G259 PolarHBondContact O-N 2.74Å; S257-G259 VanDerWaalsContact O-N 3.1Å; G259-R263 WeakPolarHBondContact O-CG 3.3Å; G259-R263 PolarHBondContact O-N 2.87Å; G259-R263 PolarHBondContact O-NE 2.78Å |
| 260 | Q | 89.1 | Confident | 90.3 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 170.5 | -76.8 | 168.9 | -81.9 | 0 | 0 | 111.1 | D223 I256 S257 K262 R263 A264 | D223-Q260 WeakPolarHBondContact OD2-CB 3.46Å; D223-Q260 WeakPolarHBondContact OD2-CG 3.07Å; D223-Q260 PolarHBondContact OD2-NE2 3.12Å; I256-Q260 HydrophobicContact CB-CB 3.99Å; I256-Q260 HydrophobicContact CD1-CB 4.11Å; I256-Q260 HydrophobicContact CG1-CB 4.33Å; S257-Q260 WeakPolarHBondContact O-CB 3.28Å; S257-Q260 PolarHBondContact O-N 2.9Å; S257-Q260 WeakPolarHBondContact OG-CG 3.23Å; S257-Q260 PolarHBondContact OG-N 3.28Å; S257-Q260 PolarHBondContact OG-OE1 2.98Å; Q260-K262 PolarHBondContact O-N 2.95Å; Q260-R263 VanDerWaalsContact CG-NH2 3.32Å; Q260-R263 PolarHBondContact O-N 2.9Å; Q260-R263 VanDerWaalsContact O-N 3.13Å; Q260-A264 WeakPolarHBondContact O-CB 3.32Å; Q260-A264 PolarHBondContact O-N 2.95Å |
| 261 | F | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 177.6 | -177.5 | -98.6 | 0 | 0 | 0 | 111.8 | I227 I250 F254 I256 S257 R263 A264 I265 I281 | I227-F261 HydrophobicContact CD1-CD2 3.58Å; I227-F261 HydrophobicContact CD1-CE2 3.72Å; I227-F261 HydrophobicContact CG1-CD2 4.49Å; I227-F261 HydrophobicContact CG1-CE2 4.41Å; I250-F261 HydrophobicContact CD1-CB 4.42Å; I250-F261 HydrophobicContact CD1-CD1 3.73Å; I250-F261 HydrophobicContact CD1-CE1 4.23Å; I250-F261 HydrophobicContact CD1-CG 4.14Å; I250-F261 HydrophobicContact CG1-CD1 4.33Å; I250-F261 HydrophobicContact CG1-CG 4.45Å; I250-F261 HydrophobicContact CG2-CB 3.54Å; I250-F261 HydrophobicContact CG2-CD1 4.34Å; I250-F261 HydrophobicContact CG2-CD2 3.93Å; I250-F261 HydrophobicContact CG2-CG 3.68Å; F254-F261 AromaticContact CD2-CD2 3.82Å; F254-F261 HydrophobicContact CD2-CD2 3.82Å; F254-F261 AromaticContact CD2-CE2 3.79Å; F254-F261 HydrophobicContact CD2-CE2 3.79Å; F254-F261 HydrophobicContact CE1-CE2 4.22Å; F254-F261 AromaticContact CE2-CD2 3.91Å; F254-F261 HydrophobicContact CE2-CD2 3.91Å; F254-F261 AromaticContact CE2-CE2 3.37Å; F254-F261 HydrophobicContact CE2-CE2 3.37Å; F254-F261 HydrophobicContact CE2-CZ 4.11Å; F254-F261 HydrophobicContact CG-CD2 4.27Å; F254-F261 HydrophobicContact CG-CE2 4.39Å; F254-F261 HydrophobicContact CZ-CD2 4.41Å; F254-F261 AromaticContact CZ-CE2 3.61Å; F254-F261 HydrophobicContact CZ-CE2 3.61Å; F254-F261 HydrophobicContact CZ-CZ 4.38Å; I256-F261 HydrophobicContact CD1-CB 4.03Å; I256-F261 HydrophobicContact CD1-CD2 4.41Å; I256-F261 HydrophobicContact CG1-CB 4.37Å; S257-F261 PolarHBondContact O-N 2.72Å; F261-R263 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 2.8Å; F261-A264 WeakPolarHBondContact O-CB 3.46Å; F261-A264 PolarHBondContact O-N 3.36Å; F261-A264 VanDerWaalsContact O-N 3.13Å; F261-I265 HydrophobicContact CD1-CG1 3.98Å; F261-I265 HydrophobicContact CD2-CG1 4.36Å; F261-I265 HydrophobicContact CE1-CD1 4.34Å; F261-I265 HydrophobicContact CE1-CG1 3.58Å; F261-I265 HydrophobicContact CE2-CD1 4.01Å; F261-I265 HydrophobicContact CE2-CG1 3.97Å; F261-I265 HydrophobicContact CG-CG1 4.36Å; F261-I265 HydrophobicContact CZ-CD1 3.82Å; F261-I265 HydrophobicContact CZ-CG1 3.57Å; F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 2.79Å; F261-I281 HydrophobicContact CZ-CD1 4.3Å |
| 262 | K | 91.7 | Very high | 89.7 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 176.2 | -80.1 | -171.1 | 162.7 | -165.3 | 0 | 113.6 | D243 K258 Q260 A264 G266 | D243-K262 WeakPolarHBondContact O-CE 3.44Å; K258-K262 WeakPolarHBondContact O-CG 3.44Å; K258-K262 PolarHBondContact O-N 2.93Å; Q260-K262 PolarHBondContact O-N 2.95Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-G266 PolarHBondContact O-N 2.86Å |
| 263 | R | 89.4 | Confident | 89.4 | Confident | 160 Ų | 160 | 54.1 Ų | 54.1 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 175.6 | -78.5 | -174.6 | -69.8 | 143.3 | -5.5 | 111.1 | G259 Q260 F261 H267 | G259-R263 WeakPolarHBondContact O-CG 3.3Å; G259-R263 PolarHBondContact O-N 2.87Å; G259-R263 PolarHBondContact O-NE 2.78Å; Q260-R263 VanDerWaalsContact CG-NH2 3.32Å; Q260-R263 PolarHBondContact O-N 2.9Å; Q260-R263 VanDerWaalsContact O-N 3.13Å; F261-R263 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 2.8Å; R263-H267 WeakPolarHBondContact O-CB 3.36Å; R263-H267 PolarHBondContact O-N 3.05Å |
| 264 | A | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -50.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D223 A224 I227 Q260 F261 K262 G266 H267 L268 | D223-A264 HydrophobicContact CB-CB 4Å; A224-A264 HydrophobicContact CB-CB 3.69Å; I227-A264 HydrophobicContact CD1-CB 3.69Å; Q260-A264 WeakPolarHBondContact O-CB 3.32Å; Q260-A264 PolarHBondContact O-N 2.95Å; F261-A264 WeakPolarHBondContact O-CB 3.46Å; F261-A264 PolarHBondContact O-N 3.36Å; F261-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 VanDerWaalsContact C-N 3.33Å; A264-G266 PolarHBondContact O-N 3.3Å; A264-H267 WeakPolarHBondContact O-CB 3.06Å; A264-H267 PolarHBondContact O-N 3.03Å; A264-L268 WeakPolarHBondContact O-CG 3.29Å; A264-L268 PolarHBondContact O-N 3.38Å |
| 265 | I | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.2 | -64.5 | -51.7 | 0 | 0 | 0 | 111.5 | I227 D243 F261 H267 L268 L269 I274 I281 | I227-I265 HydrophobicContact CD1-CD1 4.04Å; I227-I265 HydrophobicContact CG2-CD1 3.98Å; D243-I265 WeakPolarHBondContact OD1-CG2 3.47Å; F261-I265 HydrophobicContact CD1-CG1 3.98Å; F261-I265 HydrophobicContact CD2-CG1 4.36Å; F261-I265 HydrophobicContact CE1-CD1 4.34Å; F261-I265 HydrophobicContact CE1-CG1 3.58Å; F261-I265 HydrophobicContact CE2-CD1 4.01Å; F261-I265 HydrophobicContact CE2-CG1 3.97Å; F261-I265 HydrophobicContact CG-CG1 4.36Å; F261-I265 HydrophobicContact CZ-CD1 3.82Å; F261-I265 HydrophobicContact CZ-CG1 3.57Å; F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 2.79Å; I265-H267 VanDerWaalsContact C-N 3.26Å; I265-H267 PolarHBondContact O-N 3.02Å; I265-L268 HydrophobicContact CD1-CD1 4.5Å; I265-L268 PolarHBondContact O-N 2.94Å; I265-L269 HydrophobicContact CG2-CD1 3.69Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 WeakPolarHBondContact O-CB 3.41Å; I265-L269 WeakPolarHBondContact O-CG 3.43Å; I265-L269 PolarHBondContact O-N 3.24Å; I265-I274 HydrophobicContact CD1-CD1 3.85Å; I265-I274 HydrophobicContact CG2-CD1 4.09Å; I265-I281 HydrophobicContact CD1-CD1 3.46Å; I265-I281 VanDerWaalsContact CD1-CD1 3.46Å; I265-I281 HydrophobicContact CD1-CG2 4.16Å; I265-I281 HydrophobicContact CG2-CG2 4.45Å |
| 266 | G | 90 | Very high | 89.8 | Confident | 34 Ų | 34 | 57 Ų | 57 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K262 A264 K270 | K262-G266 PolarHBondContact O-N 2.86Å; A264-G266 PolarHBondContact O-N 3.3Å; G266-K270 VanDerWaalsContact O-CB 3.31Å; G266-K270 WeakPolarHBondContact O-CB 3.38Å; G266-K270 PolarHBondContact O-N 3.2Å |
| 267 | H | 87.3 | Confident | 89.9 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 22% | 0.218 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -51 | 173.4 | -170.4 | 75.3 | 0 | 0 | 0 | 111.4 | R263 A264 I265 L269 K270 E271 | R263-H267 WeakPolarHBondContact O-CB 3.36Å; R263-H267 PolarHBondContact O-N 3.05Å; A264-H267 WeakPolarHBondContact O-CB 3.06Å; A264-H267 PolarHBondContact O-N 3.03Å; I265-H267 VanDerWaalsContact C-N 3.26Å; I265-H267 PolarHBondContact O-N 3.02Å; H267-L269 VanDerWaalsContact C-N 3.33Å; H267-L269 PolarHBondContact O-N 3.01Å; H267-K270 PolarHBondContact O-N 3.47Å; H267-E271 WeakPolarHBondContact O-CG 3.37Å; H267-E271 PolarHBondContact O-N 3.26Å |
| 268 | L | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 179.4 | -65.3 | 174.4 | 0 | 0 | 0 | 113.1 | I220 A224 I227 L228 A264 I265 K272 L273 I274 | I220-L268 HydrophobicContact CD1-CD2 4.02Å; I220-L268 HydrophobicContact CG1-CD2 4.41Å; I220-L268 HydrophobicContact CG2-CD2 4.16Å; A224-L268 HydrophobicContact CB-CD1 4.19Å; A224-L268 HydrophobicContact CB-CD2 4.04Å; A224-L268 HydrophobicContact CB-CG 3.89Å; I227-L268 HydrophobicContact CB-CD1 4.21Å; I227-L268 HydrophobicContact CG2-CD1 3.94Å; L228-L268 HydrophobicContact CB-CD2 4.39Å; L228-L268 HydrophobicContact CD1-CD2 4.41Å; A264-L268 WeakPolarHBondContact O-CG 3.29Å; A264-L268 PolarHBondContact O-N 3.38Å; I265-L268 HydrophobicContact CD1-CD1 4.5Å; I265-L268 PolarHBondContact O-N 2.94Å; L268-K272 PolarHBondContact O-N 3.46Å; L268-L273 HydrophobicContact CD2-CB 4.33Å; L268-L273 HydrophobicContact CD2-CD1 3.84Å; L268-L273 PolarHBondContact O-N 3.09Å; L268-I274 HydrophobicContact CB-CB 4.48Å; L268-I274 HydrophobicContact CB-CD1 3.53Å; L268-I274 HydrophobicContact CB-CG1 3.63Å; L268-I274 HydrophobicContact CB-CG2 4.17Å; L268-I274 HydrophobicContact CD1-CD1 3.99Å; L268-I274 HydrophobicContact CD1-CG2 4.25Å; L268-I274 HydrophobicContact CG-CD1 4.42Å |
| 269 | L | 90.2 | Very high | 89.8 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175 | -75.5 | 170.1 | 0 | 0 | 0 | 111.7 | I265 H267 E271 K272 I274 Q276 | I265-L269 HydrophobicContact CG2-CD1 3.69Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 WeakPolarHBondContact O-CB 3.41Å; I265-L269 WeakPolarHBondContact O-CG 3.43Å; I265-L269 PolarHBondContact O-N 3.24Å; H267-L269 VanDerWaalsContact C-N 3.33Å; H267-L269 PolarHBondContact O-N 3.01Å; L269-E271 VanDerWaalsContact C-N 3.27Å; L269-E271 PolarHBondContact O-N 3.46Å; L269-K272 PolarHBondContact O-N 2.95Å; L269-I274 HydrophobicContact CD2-CD1 4.49Å; L269-I274 HydrophobicContact CD2-CG1 3.94Å; L269-I274 HydrophobicContact CG-CD1 4.25Å; L269-I274 HydrophobicContact CG-CG1 4.05Å; L269-Q276 HydrophobicContact CD1-CB 4.27Å; L269-Q276 HydrophobicContact CD2-CB 3.92Å |
| 270 | K | 85.5 | Confident | 90 | Very high | 163 Ų | 163 | 64.3 Ų | 64.3 | 71% | 0.709 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 177.1 | -174.2 | -177.2 | 178.4 | -172.9 | 0 | 111.4 | G266 H267 K272 | G266-K270 VanDerWaalsContact O-CB 3.31Å; G266-K270 WeakPolarHBondContact O-CB 3.38Å; G266-K270 PolarHBondContact O-N 3.2Å; H267-K270 PolarHBondContact O-N 3.47Å; K270-K272 PolarHBondContact O-N 3.01Å |
| 271 | E | 82 | Confident | 90.3 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 23% | 0.229 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 3.2 | 176.2 | -59.9 | -47.8 | 146.5 | 0 | 0 | 114 | S216 H267 L269 L273 | S216-E271 WeakPolarHBondContact CB-OE2 3.38Å; S216-E271 PolarHBondContact OG-OE2 3.37Å; H267-E271 WeakPolarHBondContact O-CG 3.37Å; H267-E271 PolarHBondContact O-N 3.26Å; L269-E271 VanDerWaalsContact C-N 3.27Å; L269-E271 PolarHBondContact O-N 3.46Å; E271-L273 HydrophobicContact CB-CD1 4.05Å; E271-L273 HydrophobicContact CB-CG 3.97Å; E271-L273 PolarHBondContact O-N 2.97Å; E271-L273 VanDerWaalsContact O-N 3.16Å |
| 272 | K | 86.7 | Confident | 90.4 | Very high | 149 Ų | 149 | 67.1 Ų | 67.1 | 65% | 0.648 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27.4 | -179.3 | -55.2 | 178.4 | 179 | 177.8 | 0 | 113.3 | L268 L269 K270 K284 | L268-K272 PolarHBondContact O-N 3.46Å; L269-K272 PolarHBondContact O-N 2.95Å; K270-K272 PolarHBondContact O-N 3.01Å; K272-K284 HydrophobicContact CB-CD 4.27Å; K272-K284 WeakPolarHBondContact O-CB 3.41Å; K272-K284 WeakPolarHBondContact O-CD 3.24Å |
| 273 | L | 86.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -82.1 | -24.9 | 178.3 | -64.5 | 174.7 | 0 | 0 | 0 | 112.2 | I220 L228 L268 E271 K284 | I220-L273 HydrophobicContact CD1-CD1 3.56Å; I220-L273 HydrophobicContact CG1-CD1 4.24Å; L228-L273 HydrophobicContact CD1-CB 4.32Å; L228-L273 HydrophobicContact CD2-CD1 4.39Å; L268-L273 HydrophobicContact CD2-CB 4.33Å; L268-L273 HydrophobicContact CD2-CD1 3.84Å; L268-L273 PolarHBondContact O-N 3.09Å; E271-L273 HydrophobicContact CB-CD1 4.05Å; E271-L273 HydrophobicContact CB-CG 3.97Å; E271-L273 PolarHBondContact O-N 2.97Å; E271-L273 VanDerWaalsContact O-N 3.16Å; L273-K284 PolarHBondContact O-N 2.88Å |
| 274 | I | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 161 | 178 | 69.4 | 176.1 | 0 | 0 | 0 | 110.8 | L228 L231 I265 L268 L269 I281 R282 | L228-I274 HydrophobicContact CD1-CG2 4.37Å; L231-I274 HydrophobicContact CD1-CG2 3.56Å; I265-I274 HydrophobicContact CD1-CD1 3.85Å; I265-I274 HydrophobicContact CG2-CD1 4.09Å; L268-I274 HydrophobicContact CB-CB 4.48Å; L268-I274 HydrophobicContact CB-CD1 3.53Å; L268-I274 HydrophobicContact CB-CG1 3.63Å; L268-I274 HydrophobicContact CB-CG2 4.17Å; L268-I274 HydrophobicContact CD1-CD1 3.99Å; L268-I274 HydrophobicContact CD1-CG2 4.25Å; L268-I274 HydrophobicContact CG-CD1 4.42Å; L269-I274 HydrophobicContact CD2-CD1 4.49Å; L269-I274 HydrophobicContact CD2-CG1 3.94Å; L269-I274 HydrophobicContact CG-CD1 4.25Å; L269-I274 HydrophobicContact CG-CG1 4.05Å; I274-I281 HydrophobicContact CD1-CB 4.37Å; I274-I281 HydrophobicContact CD1-CG2 4.29Å; I274-R282 CarbonylContact C-O 3.59Å; I274-R282 WeakPolarHBondContact CA-O 3.35Å; I274-R282 VanDerWaalsContact CB-O 3.23Å; I274-R282 WeakPolarHBondContact CB-O 3.34Å |
| 275 | E | 93.8 | Very high | 89 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 49% | 0.486 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142 | 164.5 | -61 | -171.1 | 159.9 | 0 | 0 | 108.8 | I281 R282 K284 | E275-I281 CarbonylContact O-C 3.57Å; E275-I281 WeakPolarHBondContact O-CA 3.41Å; E275-R282 PolarHBondContact N-O 2.83Å; E275-R282 PolarHBondContact O-N 2.81Å; E275-K284 HydrophobicContact CG-CB 4.2Å; E275-K284 HydrophobicContact CG-CD 4.14Å; E275-K284 HydrophobicContact CG-CG 4.01Å; E275-K284 WeakPolarHBondContact OE1-CE 3.24Å; E275-K284 IonicContact OE1-NZ 3.8Å; E275-K284 PolarHBondContact OE1-NZ 2.77Å |
| 276 | Q | 92.7 | Very high | 88.9 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 29% | 0.29 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.9 | 177 | -177.3 | 175.5 | 60.5 | 0 | 0 | 108.9 | W242 D243 L269 I281 | W242-Q276 HydrophobicContact CB-CG 4.12Å; D243-Q276 PolarHBondContact OD1-NE2 2.91Å; L269-Q276 HydrophobicContact CD1-CB 4.27Å; L269-Q276 HydrophobicContact CD2-CB 3.92Å; Q276-I281 HydrophobicContact CB-CG2 4.12Å; Q276-I281 HydrophobicContact CG-CG2 3.95Å |
| 277 | S | 91.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 171.3 | 171.7 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | G279 Q280 | S277-G279 PolarHBondContact O-N 3.23Å; S277-G279 VanDerWaalsContact O-N 3.12Å; S277-Q280 PolarHBondContact N-O 2.71Å; S277-Q280 PolarHBondContact O-N 2.74Å; S277-Q280 WeakPolarHBondContact OG-CG 3.25Å; S277-Q280 PolarHBondContact OG-NE2 2.75Å |
| 278 | E | 90 | Very high | 88.9 | Confident | 164 Ų | 164 | 77 Ų | 77 | 77% | 0.766 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 121.6 | 178.8 | -176.7 | 159.8 | -145.5 | 0 | 0 | 110.2 | W242 Q280 | W242-E278 HydrophobicContact CH2-CB 4.36Å; W242-E278 HydrophobicContact CH2-CG 3.89Å; W242-E278 HydrophobicContact CZ2-CG 3.92Å; E278-Q280 PolarHBondContact O-N 3.23Å |
| 279 | G | 91.1 | Very high | 88.9 | Confident | 33 Ų | 33 | 81.5 Ų | 81.5 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | P240 S277 | P240-G279 CarbonylContact C-O 3.35Å; P240-G279 WeakPolarHBondContact CA-O 3.34Å; S277-G279 PolarHBondContact O-N 3.23Å; S277-G279 VanDerWaalsContact O-N 3.12Å |
| 280 | Q | 94.5 | Very high | 88.8 | Confident | 72 Ų | 72 | 82.9 Ų | 82.9 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 155 | -177.8 | 67 | -179.5 | 8.2 | 0 | 0 | 114.9 | L239 Y241 S277 E278 | L239-Q280 VanDerWaalsContact O-CA 3.29Å; L239-Q280 WeakPolarHBondContact O-CA 3.48Å; L239-Q280 WeakPolarHBondContact O-CB 3.49Å; Y241-Q280 CarbonylContact O-C 3.59Å; S277-Q280 PolarHBondContact N-O 2.71Å; S277-Q280 PolarHBondContact O-N 2.74Å; S277-Q280 WeakPolarHBondContact OG-CG 3.25Å; S277-Q280 PolarHBondContact OG-NE2 2.75Å; E278-Q280 PolarHBondContact O-N 3.23Å |
| 281 | I | 95 | Very high | 89 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144 | 164.9 | 55.1 | 177 | 0 | 0 | 0 | 108.8 | I227 L231 S238 L239 Y241 F261 I265 I274 E275 Q276 | I227-I281 HydrophobicContact CG2-CD1 3.79Å; L231-I281 HydrophobicContact CD1-CD1 4.29Å; L231-I281 HydrophobicContact CD2-CG1 4.26Å; S238-I281 CarbonylContact C-O 3.59Å; S238-I281 WeakPolarHBondContact CA-O 3.41Å; S238-I281 WeakPolarHBondContact CB-O 3.46Å; L239-I281 HydrophobicContact CB-CD1 4.29Å; L239-I281 HydrophobicContact CB-CG1 3.92Å; L239-I281 HydrophobicContact CD1-CD1 4.29Å; L239-I281 PolarHBondContact N-O 3.14Å; L239-I281 PolarHBondContact O-N 3.37Å; Y241-I281 WeakPolarHBondContact O-CG1 3.3Å; Y241-I281 WeakPolarHBondContact O-CG2 3.23Å; Y241-I281 PolarHBondContact O-N 2.87Å; Y241-I281 VanDerWaalsContact O-N 3.11Å; F261-I281 HydrophobicContact CZ-CD1 4.3Å; I265-I281 HydrophobicContact CD1-CD1 3.46Å; I265-I281 VanDerWaalsContact CD1-CD1 3.46Å; I265-I281 HydrophobicContact CD1-CG2 4.16Å; I265-I281 HydrophobicContact CG2-CG2 4.45Å; I274-I281 HydrophobicContact CD1-CB 4.37Å; I274-I281 HydrophobicContact CD1-CG2 4.29Å; E275-I281 CarbonylContact O-C 3.57Å; E275-I281 WeakPolarHBondContact O-CA 3.41Å; Q276-I281 HydrophobicContact CB-CG2 4.12Å; Q276-I281 HydrophobicContact CG-CG2 3.95Å |
| 282 | R | 94.6 | Very high | 89.5 | Confident | 116 Ų | 116 | 79.6 Ų | 79.6 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146 | -178.4 | -164.1 | 177.3 | -141.8 | 164 | 9.6 | 111.4 | D236 H237 I274 E275 K284 | D236-R282 PolarHBondContact O-NE 3.15Å; D236-R282 PolarHBondContact O-NH2 2.91Å; H237-R282 CarbonylContact O-C 3.19Å; H237-R282 WeakPolarHBondContact O-CA 3.45Å; H237-R282 VanDerWaalsContact O-CG 3.29Å; H237-R282 WeakPolarHBondContact O-CG 3.19Å; I274-R282 CarbonylContact C-O 3.59Å; I274-R282 WeakPolarHBondContact CA-O 3.35Å; I274-R282 VanDerWaalsContact CB-O 3.23Å; I274-R282 WeakPolarHBondContact CB-O 3.34Å; E275-R282 PolarHBondContact N-O 2.83Å; E275-R282 PolarHBondContact O-N 2.81Å; R282-K284 PolarHBondContact O-N 3.14Å |
| 283 | L | 90.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 133.6 | 169.1 | -153.8 | 96.4 | 0 | 0 | 0 | 109.8 | L228 L231 Q232 H237 | L228-L283 HydrophobicContact CD1-CD1 3.62Å; L231-L283 HydrophobicContact CB-CD1 4.25Å; Q232-L283 HydrophobicContact CG-CD1 3.99Å; H237-L283 HydrophobicContact CB-CB 3.93Å; H237-L283 PolarHBondContact O-N 2.79Å |
| 284 | K | 85.7 | Confident | 90 | Very high | 84 Ų | 84 | 76.9 Ų | 76.9 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | trans | -77.3 | 128.5 | 173.1 | -166.1 | 171.5 | -170.4 | 154.5 | 0 | 109.3 | K272 L273 E275 R282 | K272-K284 HydrophobicContact CB-CD 4.27Å; K272-K284 WeakPolarHBondContact O-CB 3.41Å; K272-K284 WeakPolarHBondContact O-CD 3.24Å; L273-K284 PolarHBondContact O-N 2.88Å; E275-K284 HydrophobicContact CG-CB 4.2Å; E275-K284 HydrophobicContact CG-CD 4.14Å; E275-K284 HydrophobicContact CG-CG 4.01Å; E275-K284 WeakPolarHBondContact OE1-CE 3.24Å; E275-K284 IonicContact OE1-NZ 3.8Å; E275-K284 PolarHBondContact OE1-NZ 2.77Å; R282-K284 PolarHBondContact O-N 3.14Å | ||
| 285 | S | 67.5 | Low | 89.7 | Confident | 186 Ų | 186 | 83.6 Ų | 83.6 | 100% | 1.301 | 45% | 0.449 | S | S | * | . | trans | -77.4 | 0 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 285 of 285 residues in 270.1 ms
(Link to these results)