| 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 | 70.4 | Confident | 92.1 | Very high | 228 Ų | 228 | 70 Ų | 70 | 100% | 1.123 | 40% | 0.401 | S | S | * | . | 0 | 129.7 | 0 | -155.6 | 172.8 | -151.4 | 0 | 0 | 106.3 | |||||
| 2 | G | 84.6 | Confident | 92.5 | Very high | 30 Ų | 30 | 65.5 Ų | 65.5 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 147.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V373 | G2-V373 CarbonylContact C-O 3.56Å; G2-V373 WeakPolarHBondContact CA-O 3.33Å |
| 3 | S | 94.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.4 | 168.2 | 61.1 | 0 | 0 | 0 | 0 | 110 | V373 | S3-V373 PolarHBondContact N-O 2.9Å; S3-V373 PolarHBondContact O-N 3.05Å |
| 4 | L | 96.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 53% | 0.534 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.2 | 178.8 | -168.5 | 71.9 | 0 | 0 | 0 | 110.3 | N370 L371 | L4-N370 HydrophobicContact CD1-CB 3.59Å; L4-N370 HydrophobicContact CG-CB 4.12Å; L4-L371 CarbonylContact C-O 3.53Å |
| 5 | W | 97.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.2 | 169.3 | -57.2 | -9.3 | 0 | 0 | 0 | 108.2 | I26 W38 L356 I363 N370 L371 V373 | W5-I26 HydrophobicContact CH2-CG1 4.1Å; W5-I26 HydrophobicContact CZ3-CB 4.15Å; W5-I26 HydrophobicContact CZ3-CG1 3.92Å; W5-I26 HydrophobicContact CZ3-CG2 4.35Å; W5-W38 HydrophobicContact CB-CE3 4.22Å; W5-W38 HydrophobicContact CB-CH2 4.41Å; W5-W38 HydrophobicContact CB-CZ3 3.93Å; W5-W38 HydrophobicContact CE3-CB 4.27Å; W5-W38 HydrophobicContact CE3-CD2 4.32Å; W5-W38 HydrophobicContact CE3-CE3 4.37Å; W5-W38 HydrophobicContact CE3-CG 4.3Å; W5-W38 HydrophobicContact CZ3-CB 4.09Å; W5-W38 HydrophobicContact CZ3-CG 4.46Å; W5-L356 HydrophobicContact CH2-CD1 4.01Å; W5-L356 HydrophobicContact CH2-CD2 4.48Å; W5-L356 HydrophobicContact CZ2-CD1 4.08Å; W5-I363 HydrophobicContact CH2-CD1 4.5Å; W5-I363 HydrophobicContact CZ3-CD1 4.39Å; W5-N370 WeakPolarHBondContact O-CA 3.39Å; W5-L371 HydrophobicContact CB-CB 4.24Å; W5-L371 HydrophobicContact CE3-CD1 4.15Å; W5-L371 PolarHBondContact N-O 3.48Å; W5-L371 PolarHBondContact O-N 3.12Å; W5-V373 HydrophobicContact CD2-CG2 3.8Å; W5-V373 VanDerWaalsContact CE2-CG2 3.5Å; W5-V373 HydrophobicContact CE3-CG2 4.23Å; W5-V373 HydrophobicContact CG-CG2 4.38Å; W5-V373 HydrophobicContact CH2-CG2 4.13Å; W5-V373 HydrophobicContact CZ2-CG2 3.7Å; W5-V373 HydrophobicContact CZ3-CG2 4.38Å |
| 6 | S | 95.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | trans | -125 | -178.1 | -169.4 | 60.7 | 0 | 0 | 0 | 0 | 112 | G8 W38 N370 | S6-G8 PolarHBondContact O-N 2.93Å; S6-W38 WeakPolarHBondContact O-CZ3 3.44Å; S6-N370 VanDerWaalsContact CA-OD1 3.24Å; S6-N370 WeakPolarHBondContact CA-OD1 3.43Å; S6-N370 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 7 | E | 93.6 | Very high | 94 | Very high | 153 Ų | 153 | 49.5 Ų | 49.5 | 72% | 0.715 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 65.3 | -3.8 | 177.5 | -53.5 | -172.4 | 153.9 | 0 | 0 | 115.2 | R47 | E7-R47 VanDerWaalsContact C-NH2 3.33Å; E7-R47 PolarHBondContact O-NH1 3.37Å; E7-R47 PolarHBondContact O-NH2 3.1Å |
| 8 | G | 92.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -70.9 | -40.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S6 T36 W38 R47 | S6-G8 PolarHBondContact O-N 2.93Å; G8-T36 PolarHBondContact O-OG1 3.48Å; G8-W38 VanDerWaalsContact CA-CH2 3.4Å; G8-R47 WeakPolarHBondContact O-CD 3.45Å; G8-R47 PolarHBondContact O-NE 3.28Å |
| 9 | H | 96.8 | Very high | 94 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | trans | -125.8 | 154.5 | -173.8 | -65.9 | -74.9 | 0 | 0 | 0 | 111.3 | I13 S28 A30 E34 T36 T369 | H9-I13 HydrophobicContact CB-CG1 4.32Å; H9-S28 PolarHBondContact CE1-O 3.36Å; H9-S28 VanDerWaalsContact CE1-O 3.27Å; H9-S28 PolarHBondContact NE2-O 3.2Å; H9-S28 PolarHBondContact NE2-OG 2.92Å; H9-A30 HydrophobicContact CB-CB 4.15Å; H9-A30 WeakPolarHBondContact ND1-CB 3.16Å; H9-E34 VanDerWaalsContact CA-OE2 3.24Å; H9-E34 WeakPolarHBondContact CA-OE2 3.32Å; H9-E34 IonicContact CG-OE2 2.9Å; H9-E34 IonicContact ND1-OE2 3.72Å; H9-T36 PolarHBondContact CE1-OG1 2.59Å; H9-T369 WeakPolarHBondContact O-CB 3.48Å | ||
| 10 | S | 96.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -101 | -12.1 | 173.2 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | E34 | S10-E34 WeakPolarHBondContact CB-OE1 3.44Å; S10-E34 PolarHBondContact N-OE2 3.08Å; S10-E34 PolarHBondContact OG-OE1 3.05Å |
| 11 | S | 95.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -128.6 | 176.8 | -177.9 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | A30 E31 T369 | S11-A30 WeakPolarHBondContact OG-CB 3.37Å; S11-E31 PolarHBondContact OG-N 2.59Å; S11-E31 PolarHBondContact OG-O 3.48Å; S11-T369 WeakPolarHBondContact O-CG2 3.15Å |
| 12 | S | 96.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | trans | -65.8 | 135.1 | -175.4 | -158.9 | 0 | 0 | 0 | 0 | 111.5 | L14 A30 E31 Q367 | S12-L14 PolarHBondContact O-N 3.3Å; S12-A30 WeakPolarHBondContact O-CA 3.46Å; S12-A30 WeakPolarHBondContact O-CB 3.36Å; S12-E31 PolarHBondContact O-N 2.82Å; S12-E31 VanDerWaalsContact O-N 3.13Å; S12-Q367 VanDerWaalsContact OG-C 3.3Å; S12-Q367 WeakPolarHBondContact OG-CA 3.46Å; S12-Q367 PolarHBondContact OG-O 3.13Å | ||
| 13 | I | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.8 | 179.1 | -58.8 | 177.3 | 0 | 0 | 0 | 109.4 | H9 V16 G29 A365 S368 L371 | H9-I13 HydrophobicContact CB-CG1 4.32Å; I13-V16 HydrophobicContact CG2-CG2 4.17Å; I13-G29 WeakPolarHBondContact CG2-O 3.48Å; I13-A365 HydrophobicContact CB-CB 3.97Å; I13-A365 HydrophobicContact CG2-CB 3.73Å; I13-S368 PolarHBondContact N-O 3.39Å; I13-L371 HydrophobicContact CD1-CD2 3.57Å; I13-L371 HydrophobicContact CD1-CG 3.7Å; I13-L371 HydrophobicContact CG2-CD2 4.05Å |
| 14 | L | 97.7 | Very high | 92.6 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -29.6 | -176.6 | -59.9 | 178.4 | 0 | 0 | 0 | 112.7 | S12 G29 E31 D55 V56 | S12-L14 PolarHBondContact O-N 3.3Å; L14-G29 PolarHBondContact N-O 3.23Å; L14-E31 HydrophobicContact CD1-CG 3.89Å; L14-E31 HydrophobicContact CD2-CG 4.06Å; L14-E31 HydrophobicContact CG-CG 4.06Å; L14-D55 HydrophobicContact CD1-CB 3.68Å; L14-V56 WeakPolarHBondContact CB-O 3.37Å |
| 15 | C | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 155.3 | -179.2 | 67.5 | 0 | 0 | 0 | 0 | 114 | S28 G29 V56 T57 S58 W350 | C15-S28 WeakPolarHBondContact O-CA 3.49Å; C15-S28 WeakPolarHBondContact O-CB 3.22Å; C15-G29 PolarHBondContact N-O 3.49Å; C15-G29 PolarHBondContact O-N 2.9Å; C15-V56 PolarHBondContact SG-O 3.26Å; C15-T57 WeakPolarHBondContact CB-O 3.42Å; C15-S58 VanDerWaalsContact SG-C 3.5Å; C15-S58 VanDerWaalsContact SG-CA 3.54Å; C15-S58 PolarHBondContact SG-N 3Å; C15-W350 HydrophobicContact CB-CD2 4.15Å; C15-W350 HydrophobicContact CB-CE3 4.2Å; C15-W350 HydrophobicContact CB-CH2 4.26Å; C15-W350 HydrophobicContact CB-CZ2 4.19Å; C15-W350 HydrophobicContact CB-CZ3 4.26Å |
| 16 | V | 98.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.5 | 174.9 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | I13 I26 A27 W350 C352 I363 A365 L371 | I13-V16 HydrophobicContact CG2-CG2 4.17Å; V16-I26 HydrophobicContact CG1-CG2 3.63Å; V16-A27 CarbonylContact C-O 3.57Å; V16-A27 VanDerWaalsContact CA-O 3.32Å; V16-A27 WeakPolarHBondContact CA-O 3.47Å; V16-W350 PolarHBondContact O-NE1 2.84Å; V16-C352 HydrophobicContact CB-CB 3.84Å; V16-C352 HydrophobicContact CG1-CB 3.73Å; V16-I363 HydrophobicContact CG1-CG2 4.1Å; V16-A365 HydrophobicContact CG2-CB 3.98Å; V16-L371 HydrophobicContact CG2-CD2 3.54Å |
| 17 | G | 96.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I26 A27 F61 | G17-I26 CarbonylContact O-C 3.48Å; G17-I26 WeakPolarHBondContact O-CA 3.37Å; G17-A27 PolarHBondContact N-O 3.36Å; G17-A27 PolarHBondContact O-N 3.18Å; G17-F61 WeakPolarHBondContact O-CE2 3.44Å |
| 18 | A | 94.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 26% | 0.256 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I26 C352 A354 | A18-I26 HydrophobicContact CB-CD1 3.47Å; A18-I26 VanDerWaalsContact CB-CD1 3.47Å; A18-C352 VanDerWaalsContact CB-SG 3.59Å; A18-A354 HydrophobicContact CB-CB 3.73Å |
| 19 | S | 92.4 | Very high | 93 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -72.7 | 133.3 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | G21 L25 | S19-G21 PolarHBondContact O-N 3.46Å; S19-G21 PolarHBondContact OG-N 3.11Å; S19-L25 WeakPolarHBondContact CB-O 3.14Å; S19-L25 PolarHBondContact N-O 2.93Å | ||
| 20 | P | 83.1 | Confident | 93 | Very high | 92 Ų | 92 | 27.3 Ų | 27.3 | 60% | 0.597 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -75.8 | -7.7 | 175.8 | 30.5 | -33.2 | 0 | 0 | 0 | 113 | ||
| 21 | G | 78.4 | Confident | 93.1 | Very high | 19 Ų | 19 | 27 Ų | 27 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -81.5 | 167.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S19 E23 G24 | S19-G21 PolarHBondContact O-N 3.46Å; S19-G21 PolarHBondContact OG-N 3.11Å; G21-E23 PolarHBondContact O-N 3.29Å; G21-E23 VanDerWaalsContact O-N 3.11Å; G21-G24 PolarHBondContact O-N 3.24Å; G21-G24 VanDerWaalsContact O-N 3.08Å |
| 22 | P | 77.3 | Confident | 93.1 | Very high | 124 Ų | 124 | 27 Ų | 27 | 81% | 0.805 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.4 | -178.2 | 28.1 | -36.3 | 0 | 0 | 0 | 114 | G24 | P22-G24 PolarHBondContact O-N 3.34Š|
| 23 | E | 81.4 | Confident | 93.1 | Very high | 82 Ų | 82 | 26.2 Ų | 26.2 | 38% | 0.383 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30 | 175.3 | -61.1 | -173.3 | 175.6 | 0 | 0 | 111.7 | G21 L25 | G21-E23 PolarHBondContact O-N 3.29Å; G21-E23 VanDerWaalsContact O-N 3.11Å; E23-L25 HydrophobicContact CB-CG 4.09Å; E23-L25 PolarHBondContact O-N 2.87Å |
| 24 | G | 87.3 | Confident | 93 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | trans | 62.3 | 30.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G21 P22 R40 | G21-G24 PolarHBondContact O-N 3.24Å; G21-G24 VanDerWaalsContact O-N 3.08Å; P22-G24 PolarHBondContact O-N 3.34Å; G24-R40 WeakPolarHBondContact O-CB 3.42Å; G24-R40 PolarHBondContact O-N 3.29Å | ||
| 25 | L | 94 | Very high | 93 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -65.9 | 142.6 | 177.7 | -64 | -179.3 | 0 | 0 | 0 | 110.9 | S19 E23 V37 W38 V45 F61 P82 R83 | S19-L25 WeakPolarHBondContact CB-O 3.14Å; S19-L25 PolarHBondContact N-O 2.93Å; E23-L25 HydrophobicContact CB-CG 4.09Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-V37 HydrophobicContact CB-CG1 4.4Å; L25-V37 HydrophobicContact CD1-CG1 4.39Å; L25-V37 HydrophobicContact CD2-CG1 4.33Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; L25-V45 HydrophobicContact CD2-CG2 4.28Å; L25-F61 HydrophobicContact CB-CE1 4.25Å; L25-F61 HydrophobicContact CB-CZ 4.13Å; L25-P82 HydrophobicContact CD1-CB 3.98Å; L25-P82 HydrophobicContact CD1-CG 4.1Å; L25-R83 HydrophobicContact CD1-CG 4.27Å | ||
| 26 | I | 96.7 | Very high | 93 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.5 | 172.5 | -55.3 | -58.2 | 0 | 0 | 0 | 107.8 | W5 V16 G17 A18 V37 W38 A354 L356 I363 | W5-I26 HydrophobicContact CH2-CG1 4.1Å; W5-I26 HydrophobicContact CZ3-CB 4.15Å; W5-I26 HydrophobicContact CZ3-CG1 3.92Å; W5-I26 HydrophobicContact CZ3-CG2 4.35Å; V16-I26 HydrophobicContact CG1-CG2 3.63Å; G17-I26 CarbonylContact O-C 3.48Å; G17-I26 WeakPolarHBondContact O-CA 3.37Å; A18-I26 HydrophobicContact CB-CD1 3.47Å; A18-I26 VanDerWaalsContact CB-CD1 3.47Å; I26-V37 CarbonylContact O-C 3.46Å; I26-V37 WeakPolarHBondContact O-CA 3.46Å; I26-W38 HydrophobicContact CB-CB 4.25Å; I26-W38 PolarHBondContact N-O 2.89Å; I26-W38 PolarHBondContact O-N 2.85Å; I26-A354 HydrophobicContact CD1-CB 4.27Å; I26-L356 HydrophobicContact CD1-CD2 4.07Å; I26-L356 HydrophobicContact CG1-CD2 4.24Å; I26-I363 HydrophobicContact CB-CD1 4.38Å; I26-I363 HydrophobicContact CD1-CD1 3.49Å; I26-I363 VanDerWaalsContact CD1-CD1 3.49Å; I26-I363 HydrophobicContact CG1-CD1 3.65Å; I26-I363 HydrophobicContact CG2-CD1 3.82Å |
| 27 | A | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V16 G17 T36 V37 A59 F61 L69 | V16-A27 CarbonylContact C-O 3.57Å; V16-A27 VanDerWaalsContact CA-O 3.32Å; V16-A27 WeakPolarHBondContact CA-O 3.47Å; G17-A27 PolarHBondContact N-O 3.36Å; G17-A27 PolarHBondContact O-N 3.18Å; A27-T36 CarbonylContact C-O 3.46Å; A27-T36 WeakPolarHBondContact CA-O 3.33Å; A27-V37 HydrophobicContact CB-CG2 4.25Å; A27-A59 HydrophobicContact CB-CB 4.46Å; A27-F61 HydrophobicContact CB-CE2 3.61Å; A27-F61 HydrophobicContact CB-CZ 3.76Å; A27-L69 HydrophobicContact CB-CD1 3.65Å; A27-L69 HydrophobicContact CB-CD2 3.59Å; A27-L69 HydrophobicContact CB-CG 4.28Å |
| 28 | S | 98.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.1 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | H9 C15 T36 W38 | H9-S28 PolarHBondContact CE1-O 3.36Å; H9-S28 VanDerWaalsContact CE1-O 3.27Å; H9-S28 PolarHBondContact NE2-O 3.2Å; H9-S28 PolarHBondContact NE2-OG 2.92Å; C15-S28 WeakPolarHBondContact O-CA 3.49Å; C15-S28 WeakPolarHBondContact O-CB 3.22Å; S28-T36 PolarHBondContact N-O 2.77Å; S28-T36 PolarHBondContact O-N 3.04Å; S28-W38 PolarHBondContact OG-NE1 3.5Å |
| 29 | G | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I13 L14 C15 E34 | I13-G29 WeakPolarHBondContact CG2-O 3.48Å; L14-G29 PolarHBondContact N-O 3.23Å; C15-G29 PolarHBondContact N-O 3.49Å; C15-G29 PolarHBondContact O-N 2.9Å; G29-E34 CarbonylContact C-O 3.51Å; G29-E34 WeakPolarHBondContact CA-O 3.08Å |
| 30 | A | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 173.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | H9 S11 S12 E34 V56 | H9-A30 HydrophobicContact CB-CB 4.15Å; H9-A30 WeakPolarHBondContact ND1-CB 3.16Å; S11-A30 WeakPolarHBondContact OG-CB 3.37Å; S12-A30 WeakPolarHBondContact O-CA 3.46Å; S12-A30 WeakPolarHBondContact O-CB 3.36Å; A30-E34 HydrophobicContact CB-CB 4.24Å; A30-E34 PolarHBondContact N-O 2.77Å; A30-V56 PolarHBondContact O-N 3.06Å; A30-V56 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 96.7 | Very high | 93.4 | Very high | 87 Ų | 87 | 30 Ų | 30 | 41% | 0.407 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -58.2 | 149.8 | 173.7 | -59.4 | 169.7 | 161.7 | 0 | 0 | 111 | S11 S12 L14 G33 D55 | S11-E31 PolarHBondContact OG-N 2.59Å; S11-E31 PolarHBondContact OG-O 3.48Å; S12-E31 PolarHBondContact O-N 2.82Å; S12-E31 VanDerWaalsContact O-N 3.13Å; L14-E31 HydrophobicContact CD1-CG 3.89Å; L14-E31 HydrophobicContact CD2-CG 4.06Å; L14-E31 HydrophobicContact CG-CG 4.06Å; E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.68Å; E31-D55 WeakPolarHBondContact CA-OD1 2.98Å |
| 32 | G | 95.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 75.3 | 16.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q53 D55 | G32-Q53 WeakPolarHBondContact CA-O 3.35Å; G32-Q53 VanDerWaalsContact O-CD 3.28Å; G32-Q53 PolarHBondContact O-NE2 3.37Å; G32-Q53 PolarHBondContact O-OE1 2.82Å; G32-D55 PolarHBondContact N-OD1 3.21Å |
| 33 | G | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | 83.5 | 12.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E31 A49 L50 E54 | E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.68Å; G33-A49 WeakPolarHBondContact O-CA 3.45Å; G33-L50 PolarHBondContact O-N 2.88Å; G33-E54 WeakPolarHBondContact CA-O 3.43Å; G33-E54 PolarHBondContact N-O 3.09Å |
| 34 | E | 96.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 25.2 Ų | 25.2 | 22% | 0.22 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.1 | -178.1 | -62.1 | -170.9 | 165 | 0 | 0 | 111.6 | H9 S10 G29 A30 | H9-E34 VanDerWaalsContact CA-OE2 3.24Å; H9-E34 WeakPolarHBondContact CA-OE2 3.32Å; H9-E34 IonicContact CG-OE2 2.9Å; H9-E34 IonicContact ND1-OE2 3.72Å; S10-E34 WeakPolarHBondContact CB-OE1 3.44Å; S10-E34 PolarHBondContact N-OE2 3.08Å; S10-E34 PolarHBondContact OG-OE1 3.05Å; G29-E34 CarbonylContact C-O 3.51Å; G29-E34 WeakPolarHBondContact CA-O 3.08Å; A30-E34 HydrophobicContact CB-CB 4.24Å; A30-E34 PolarHBondContact N-O 2.77Å |
| 35 | V | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.9 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | R47 L48 L50 V56 V71 | V35-R47 CarbonylContact O-C 3.55Å; V35-R47 VanDerWaalsContact O-CA 3.3Å; V35-R47 WeakPolarHBondContact O-CA 3.4Å; V35-L48 PolarHBondContact N-O 2.83Å; V35-L48 PolarHBondContact O-N 3.2Å; V35-L50 HydrophobicContact CG2-CD1 4.21Å; V35-L50 HydrophobicContact CG2-CG 4.19Å; V35-V56 HydrophobicContact CG2-CG1 4.36Å; V35-V56 HydrophobicContact CG2-CG2 3.87Å; V35-V71 HydrophobicContact CG1-CG2 4.47Å; V35-V71 HydrophobicContact CG2-CG1 3.86Å |
| 36 | T | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.7 | 175.3 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | G8 H9 A27 S28 W38 V44 R47 | G8-T36 PolarHBondContact O-OG1 3.48Å; H9-T36 PolarHBondContact CE1-OG1 2.59Å; A27-T36 CarbonylContact C-O 3.46Å; A27-T36 WeakPolarHBondContact CA-O 3.33Å; S28-T36 PolarHBondContact N-O 2.77Å; S28-T36 PolarHBondContact O-N 3.04Å; T36-W38 HydrophobicContact CG2-CD2 3.89Å; T36-W38 HydrophobicContact CG2-CG 4.3Å; T36-W38 HydrophobicContact CG2-CH2 4.36Å; T36-W38 HydrophobicContact CG2-CZ2 3.66Å; T36-V44 HydrophobicContact CG2-CG1 4.13Å; T36-V44 HydrophobicContact CG2-CG2 4.13Å; T36-R47 HydrophobicContact CG2-CG 4.06Å |
| 37 | V | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.3 | 168.9 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | L25 I26 A27 V45 G46 L69 P82 L85 | L25-V37 HydrophobicContact CB-CG1 4.4Å; L25-V37 HydrophobicContact CD1-CG1 4.39Å; L25-V37 HydrophobicContact CD2-CG1 4.33Å; I26-V37 CarbonylContact O-C 3.46Å; I26-V37 WeakPolarHBondContact O-CA 3.46Å; A27-V37 HydrophobicContact CB-CG2 4.25Å; V37-V45 HydrophobicContact CG1-CB 4.14Å; V37-V45 HydrophobicContact CG1-CG2 4.43Å; V37-V45 PolarHBondContact O-N 2.99Å; V37-G46 PolarHBondContact N-O 3.49Å; V37-G46 PolarHBondContact O-N 2.92Å; V37-L69 HydrophobicContact CG2-CD2 3.98Å; V37-P82 HydrophobicContact CG1-CB 4.45Å; V37-P82 HydrophobicContact CG2-CB 4.31Å; V37-L85 HydrophobicContact CB-CD1 3.98Å; V37-L85 HydrophobicContact CG2-CD1 3.71Å; V37-L85 HydrophobicContact CG2-CD2 4.3Å; V37-L85 HydrophobicContact CG2-CG 4.24Å |
| 38 | W | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.7 | -175.5 | -44.1 | 77.1 | 0 | 0 | 0 | 110.4 | W5 S6 G8 L25 I26 S28 T36 A43 V44 L371 | W5-W38 HydrophobicContact CB-CE3 4.22Å; W5-W38 HydrophobicContact CB-CH2 4.41Å; W5-W38 HydrophobicContact CB-CZ3 3.93Å; W5-W38 HydrophobicContact CE3-CB 4.27Å; W5-W38 HydrophobicContact CE3-CD2 4.32Å; W5-W38 HydrophobicContact CE3-CE3 4.37Å; W5-W38 HydrophobicContact CE3-CG 4.3Å; W5-W38 HydrophobicContact CZ3-CB 4.09Å; W5-W38 HydrophobicContact CZ3-CG 4.46Å; S6-W38 WeakPolarHBondContact O-CZ3 3.44Å; G8-W38 VanDerWaalsContact CA-CH2 3.4Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; I26-W38 HydrophobicContact CB-CB 4.25Å; I26-W38 PolarHBondContact N-O 2.89Å; I26-W38 PolarHBondContact O-N 2.85Å; S28-W38 PolarHBondContact OG-NE1 3.5Å; T36-W38 HydrophobicContact CG2-CD2 3.89Å; T36-W38 HydrophobicContact CG2-CG 4.3Å; T36-W38 HydrophobicContact CG2-CH2 4.36Å; T36-W38 HydrophobicContact CG2-CZ2 3.66Å; W38-A43 CarbonylContact C-O 3.54Å; W38-A43 VanDerWaalsContact CA-O 3.25Å; W38-A43 WeakPolarHBondContact CA-O 3.35Å; W38-V44 HydrophobicContact CE3-CG2 3.8Å; W38-V44 HydrophobicContact CH2-CG2 4.25Å; W38-V44 HydrophobicContact CZ3-CG2 3.65Å; W38-L371 HydrophobicContact CZ2-CD1 4.21Å |
| 39 | T | 94.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | trans | -73.5 | 165.4 | 162.7 | 80.6 | 0 | 0 | 0 | 0 | 109.9 | E41 G42 A43 V45 | T39-E41 VanDerWaalsContact CB-OE2 3.25Å; T39-E41 WeakPolarHBondContact CB-OE2 3.42Å; T39-E41 PolarHBondContact O-N 3.34Å; T39-E41 WeakPolarHBondContact OG1-CB 3.42Å; T39-E41 PolarHBondContact OG1-N 3.11Å; T39-E41 VanDerWaalsContact OG1-N 3.12Å; T39-E41 PolarHBondContact OG1-OE2 3.08Å; T39-G42 PolarHBondContact O-N 3.11Å; T39-A43 HydrophobicContact CG2-CB 4.13Å; T39-A43 PolarHBondContact N-O 2.91Å; T39-A43 PolarHBondContact OG1-N 3.49Å; T39-V45 HydrophobicContact CG2-CG2 3.4Å | ||
| 40 | R | 92.5 | Very high | 95.6 | Very high | 100 Ų | 100 | 38.8 Ų | 38.8 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7.7 | 171.7 | 70.1 | -166.6 | -176.9 | -172.1 | 0.3 | 114.4 | G24 L356 K357 | G24-R40 WeakPolarHBondContact O-CB 3.42Å; G24-R40 PolarHBondContact O-N 3.29Å; R40-L356 HydrophobicContact CB-CD2 3.94Å; R40-K357 HydrophobicContact CG-CG 4.09Å |
| 41 | E | 93 | Very high | 95 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.4 | 173.3 | -62.5 | 61.6 | -140.1 | 0 | 0 | 112.7 | T39 K357 | T39-E41 VanDerWaalsContact CB-OE2 3.25Å; T39-E41 WeakPolarHBondContact CB-OE2 3.42Å; T39-E41 PolarHBondContact O-N 3.34Å; T39-E41 WeakPolarHBondContact OG1-CB 3.42Å; T39-E41 PolarHBondContact OG1-N 3.11Å; T39-E41 VanDerWaalsContact OG1-N 3.12Å; T39-E41 PolarHBondContact OG1-OE2 3.08Å; E41-K357 VanDerWaalsContact CG-CE 3.44Å; E41-K357 WeakPolarHBondContact OE1-CE 3.15Å |
| 42 | G | 94.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 86.7 | 12.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T39 | T39-G42 PolarHBondContact O-N 3.11Š|
| 43 | A | 95.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | trans | -81.3 | 137.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | W38 T39 V45 | W38-A43 CarbonylContact C-O 3.54Å; W38-A43 VanDerWaalsContact CA-O 3.25Å; W38-A43 WeakPolarHBondContact CA-O 3.35Å; T39-A43 HydrophobicContact CG2-CB 4.13Å; T39-A43 PolarHBondContact N-O 2.91Å; T39-A43 PolarHBondContact OG1-N 3.49Å; A43-V45 PolarHBondContact O-N 3.32Å | ||
| 44 | V | 96 | Very high | 94.4 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 122.9 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | T36 W38 R47 | T36-V44 HydrophobicContact CG2-CG1 4.13Å; T36-V44 HydrophobicContact CG2-CG2 4.13Å; W38-V44 HydrophobicContact CE3-CG2 3.8Å; W38-V44 HydrophobicContact CH2-CG2 4.25Å; W38-V44 HydrophobicContact CZ3-CG2 3.65Å; V44-R47 HydrophobicContact CG1-CG 3.71Å; V44-R47 VanDerWaalsContact CG2-NH2 3.28Å |
| 45 | V | 94.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -40.4 | 173 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L25 V37 T39 A43 | L25-V45 HydrophobicContact CD2-CG2 4.28Å; V37-V45 HydrophobicContact CG1-CB 4.14Å; V37-V45 HydrophobicContact CG1-CG2 4.43Å; V37-V45 PolarHBondContact O-N 2.99Å; T39-V45 HydrophobicContact CG2-CG2 3.4Å; A43-V45 PolarHBondContact O-N 3.32Å |
| 46 | G | 94.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 159.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V37 | V37-G46 PolarHBondContact N-O 3.49Å; V37-G46 PolarHBondContact O-N 2.92Å |
| 47 | R | 95.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 53.2 Ų | 53.2 | 46% | 0.464 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.7 | 176.3 | -58.2 | -176.1 | -167.2 | 163.9 | 6.3 | 109.8 | E7 G8 V35 T36 V44 | E7-R47 VanDerWaalsContact C-NH2 3.33Å; E7-R47 PolarHBondContact O-NH1 3.37Å; E7-R47 PolarHBondContact O-NH2 3.1Å; G8-R47 WeakPolarHBondContact O-CD 3.45Å; G8-R47 PolarHBondContact O-NE 3.28Å; V35-R47 CarbonylContact O-C 3.55Å; V35-R47 VanDerWaalsContact O-CA 3.3Å; V35-R47 WeakPolarHBondContact O-CA 3.4Å; T36-R47 HydrophobicContact CG2-CG 4.06Å; V44-R47 HydrophobicContact CG1-CG 3.71Å; V44-R47 VanDerWaalsContact CG2-NH2 3.28Å |
| 48 | L | 95.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 142.9 | 176.5 | 178.2 | 68.4 | 0 | 0 | 0 | 108.8 | V35 L50 F80 L85 | V35-L48 PolarHBondContact N-O 2.83Å; V35-L48 PolarHBondContact O-N 3.2Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L48-F80 HydrophobicContact CD2-CD1 4.05Å; L48-F80 HydrophobicContact CD2-CE1 3.22Å; L48-F80 HydrophobicContact CD2-CZ 3.61Å; L48-L85 HydrophobicContact CB-CB 4.45Å |
| 49 | A | 95.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G33 | G33-A49 WeakPolarHBondContact O-CA 3.45Å |
| 50 | L | 94.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | trans | -70.3 | 144.3 | 178.6 | -65 | 176.7 | 0 | 0 | 0 | 111 | G33 V35 L48 G52 Q53 V56 V71 H73 F80 | G33-L50 PolarHBondContact O-N 2.88Å; V35-L50 HydrophobicContact CG2-CD1 4.21Å; V35-L50 HydrophobicContact CG2-CG 4.19Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L50-G52 PolarHBondContact O-N 3.12Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 PolarHBondContact O-NE2 3.1Å; L50-V56 HydrophobicContact CD1-CG2 3.76Å; L50-V71 HydrophobicContact CD1-CG1 4.23Å; L50-H73 HydrophobicContact CD1-CB 3.65Å; L50-F80 HydrophobicContact CD2-CE2 4.04Å; L50-F80 HydrophobicContact CD2-CZ 3.49Å; L50-F80 VanDerWaalsContact CD2-CZ 3.49Å | ||
| 51 | P | 85.3 | Confident | 94.8 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 67% | 0.669 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 130.8 | 174.4 | 29.1 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 52 | G | 86.4 | Confident | 94.7 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.1 | -23.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L50 E54 | L50-G52 PolarHBondContact O-N 3.12Å; G52-E54 PolarHBondContact O-N 3.21Å |
| 53 | Q | 92.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 47.6 Ų | 47.6 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | trans | 58.9 | 23.7 | -178.8 | -53.7 | -74.4 | -90.9 | 0 | 0 | 113.4 | G32 L50 | G32-Q53 WeakPolarHBondContact CA-O 3.35Å; G32-Q53 VanDerWaalsContact O-CD 3.28Å; G32-Q53 PolarHBondContact O-NE2 3.37Å; G32-Q53 PolarHBondContact O-OE1 2.82Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 PolarHBondContact O-NE2 3.1Å | ||
| 54 | E | 96.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | trans | -72.8 | 148.6 | 169.3 | -55.5 | -61.7 | 156.8 | 0 | 0 | 109.5 | G33 G52 H73 | G33-E54 WeakPolarHBondContact CA-O 3.43Å; G33-E54 PolarHBondContact N-O 3.09Å; G52-E54 PolarHBondContact O-N 3.21Å; E54-H73 HydrophobicContact CB-CB 4.42Å | ||
| 55 | D | 97.7 | Very high | 92.5 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | trans | -66.8 | 144.2 | -172.7 | -71.8 | -14.2 | 0 | 0 | 0 | 112.7 | L14 E31 G32 T57 H73 | L14-D55 HydrophobicContact CD1-CB 3.68Å; E31-D55 WeakPolarHBondContact CA-OD1 2.98Å; G32-D55 PolarHBondContact N-OD1 3.21Å; D55-T57 HydrophobicContact CB-CG2 4.37Å; D55-T57 PolarHBondContact O-N 3.27Å; D55-H73 WeakPolarHBondContact O-CA 3.41Å | ||
| 56 | V | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -93.4 | 90.3 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L14 C15 A30 V35 L50 V71 S72 | L14-V56 WeakPolarHBondContact CB-O 3.37Å; C15-V56 PolarHBondContact SG-O 3.26Å; A30-V56 PolarHBondContact O-N 3.06Å; A30-V56 VanDerWaalsContact O-N 3.09Å; V35-V56 HydrophobicContact CG2-CG1 4.36Å; V35-V56 HydrophobicContact CG2-CG2 3.87Å; L50-V56 HydrophobicContact CD1-CG2 3.76Å; V56-V71 HydrophobicContact CB-CG1 4.41Å; V56-V71 HydrophobicContact CG1-CG1 3.26Å; V56-V71 HydrophobicContact CG2-CG1 4.24Å; V56-S72 WeakPolarHBondContact CA-O 3.47Å | ||
| 57 | T | 98.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | trans | -82.1 | -20.5 | -172.3 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | C15 D55 S72 E99 I100 | C15-T57 WeakPolarHBondContact CB-O 3.42Å; D55-T57 HydrophobicContact CB-CG2 4.37Å; D55-T57 PolarHBondContact O-N 3.27Å; T57-S72 PolarHBondContact OG1-OG 3.33Å; T57-E99 HydrophobicContact CG2-CG 4.42Å; T57-I100 WeakPolarHBondContact CB-O 3.32Å; T57-I100 WeakPolarHBondContact CG2-O 3.42Å; T57-I100 PolarHBondContact OG1-O 3.38Å | ||
| 58 | S | 98.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | trans | -154.9 | 138.8 | -177.3 | -154.4 | 0 | 0 | 0 | 0 | 112.7 | C15 V71 S72 V103 | C15-S58 VanDerWaalsContact SG-C 3.5Å; C15-S58 VanDerWaalsContact SG-CA 3.54Å; C15-S58 PolarHBondContact SG-N 3Å; S58-V71 WeakPolarHBondContact O-CA 3.49Å; S58-S72 WeakPolarHBondContact CA-OG 3.29Å; S58-S72 WeakPolarHBondContact CB-OG 3.2Å; S58-S72 PolarHBondContact N-OG 3.04Å; S58-S72 PolarHBondContact O-N 3.22Å; S58-S72 PolarHBondContact O-OG 3.08Å; S58-V103 PolarHBondContact OG-N 3.01Å; S58-V103 VanDerWaalsContact OG-N 3.1Å | ||
| 59 | A | 97.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A27 L69 Y70 | A27-A59 HydrophobicContact CB-CB 4.46Å; A59-L69 HydrophobicContact CB-CD1 4.37Å; A59-Y70 CarbonylContact C-O 3.58Å; A59-Y70 WeakPolarHBondContact CA-O 3.38Å |
| 60 | S | 96.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.8 | -177.3 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | Y70 L105 | S60-Y70 PolarHBondContact N-O 2.96Å; S60-Y70 PolarHBondContact O-N 2.99Å; S60-L105 WeakPolarHBondContact OG-CD1 3.39Å |
| 61 | F | 95 | Very high | 91 | Very high | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 143.2 | 172 | -73.4 | -93.7 | 0 | 0 | 0 | 110.1 | G17 L25 A27 P63 L69 P82 | G17-F61 WeakPolarHBondContact O-CE2 3.44Å; L25-F61 HydrophobicContact CB-CE1 4.25Å; L25-F61 HydrophobicContact CB-CZ 4.13Å; A27-F61 HydrophobicContact CB-CE2 3.61Å; A27-F61 HydrophobicContact CB-CZ 3.76Å; F61-P63 WeakPolarHBondContact O-CD 2.94Å; F61-L69 HydrophobicContact CD1-CB 4.41Å; F61-L69 HydrophobicContact CD1-CD1 4.31Å; F61-L69 HydrophobicContact CD2-CD1 3.96Å; F61-L69 HydrophobicContact CE1-CB 4.32Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 3.86Å; F61-L69 HydrophobicContact CG-CD1 4.2Å; F61-L69 HydrophobicContact CZ-CD1 4.01Å; F61-P82 HydrophobicContact CD1-CG 4.48Å; F61-P82 HydrophobicContact CE1-CB 3.78Å; F61-P82 HydrophobicContact CE1-CG 3.91Å; F61-P82 HydrophobicContact CZ-CB 4.46Å |
| 62 | S | 91.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -68.1 | 128 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 111 | A64 A65 H68 | S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.83Å; S62-A64 PolarHBondContact OG-N 3.37Å; S62-A65 WeakPolarHBondContact CB-O 3.2Å; S62-A65 PolarHBondContact OG-N 3.35Å; S62-A65 VanDerWaalsContact OG-N 3.1Å; S62-H68 PolarHBondContact N-O 3.37Å | ||
| 63 | P | 85.7 | Confident | 92.2 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -70.4 | -25.8 | 175.4 | 28.5 | -34 | 0 | 0 | 0 | 112.6 | F61 L105 N106 | F61-P63 WeakPolarHBondContact O-CD 2.94Å; P63-L105 HydrophobicContact CG-CB 4.44Å; P63-N106 VanDerWaalsContact CG-O 3.32Å; P63-N106 WeakPolarHBondContact CG-O 3.38Å |
| 64 | A | 80.6 | Confident | 92.4 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 54% | 0.537 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -93.9 | -27.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S62 T108 | S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.83Å; S62-A64 PolarHBondContact OG-N 3.37Å; A64-T108 WeakPolarHBondContact CB-O 3.37Å |
| 65 | A | 74.4 | Confident | 92.4 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | trans | -127.2 | 97.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S62 A67 H68 | S62-A65 WeakPolarHBondContact CB-O 3.2Å; S62-A65 PolarHBondContact OG-N 3.35Å; S62-A65 VanDerWaalsContact OG-N 3.1Å; A65-A67 PolarHBondContact O-N 2.62Å; A65-H68 PolarHBondContact O-N 2.74Å; A65-H68 VanDerWaalsContact O-N 3.13Å | ||
| 66 | S | 70.6 | Confident | 92.4 | Very high | 65 Ų | 65 | 23.6 Ų | 23.6 | 46% | 0.455 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -7.8 | -177.8 | 64 | 0 | 0 | 0 | 0 | 115 | ||
| 67 | A | 81.4 | Confident | 92.4 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A65 D81 P82 | A65-A67 PolarHBondContact O-N 2.62Å; A67-D81 WeakPolarHBondContact O-CA 3.44Å; A67-P82 WeakPolarHBondContact O-CD 3.48Å |
| 68 | H | 92.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 22.8 Ų | 22.8 | 30% | 0.301 | 15% | 0.152 | S | C | . | . | trans | -120.7 | 129 | 179.9 | -65 | 150.8 | 0 | 0 | 0 | 112.6 | S62 A65 Y70 V79 F80 | S62-H68 PolarHBondContact N-O 3.37Å; A65-H68 PolarHBondContact O-N 2.74Å; A65-H68 VanDerWaalsContact O-N 3.13Å; H68-Y70 HydrophobicContact CB-CD2 4.48Å; H68-Y70 HydrophobicContact CB-CE2 3.75Å; H68-V79 HydrophobicContact CB-CG1 3.91Å; H68-F80 WeakPolarHBondContact CA-O 3.31Å | ||
| 69 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.1 | 171.1 | 172 | 65.2 | 0 | 0 | 0 | 108.8 | A27 V37 A59 F61 V71 V79 F80 P82 | A27-L69 HydrophobicContact CB-CD1 3.65Å; A27-L69 HydrophobicContact CB-CD2 3.59Å; A27-L69 HydrophobicContact CB-CG 4.28Å; V37-L69 HydrophobicContact CG2-CD2 3.98Å; A59-L69 HydrophobicContact CB-CD1 4.37Å; F61-L69 HydrophobicContact CD1-CB 4.41Å; F61-L69 HydrophobicContact CD1-CD1 4.31Å; F61-L69 HydrophobicContact CD2-CD1 3.96Å; F61-L69 HydrophobicContact CE1-CB 4.32Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 3.86Å; F61-L69 HydrophobicContact CG-CD1 4.2Å; F61-L69 HydrophobicContact CZ-CD1 4.01Å; L69-V71 HydrophobicContact CD1-CG2 4.42Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.77Å; L69-V79 CarbonylContact O-C 3.57Å; L69-V79 VanDerWaalsContact O-CA 3.31Å; L69-V79 WeakPolarHBondContact O-CA 3.5Å; L69-F80 HydrophobicContact CB-CB 4.47Å; L69-F80 PolarHBondContact N-O 3.5Å; L69-F80 PolarHBondContact O-N 3.28Å; L69-P82 HydrophobicContact CB-CB 4.29Å |
| 70 | Y | 97.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.4 | 178.1 | -65.7 | -110.1 | 0 | 0 | 0 | 108.3 | A59 S60 H68 V77 V79 F92 L105 V112 I126 | A59-Y70 CarbonylContact C-O 3.58Å; A59-Y70 WeakPolarHBondContact CA-O 3.38Å; S60-Y70 PolarHBondContact N-O 2.96Å; S60-Y70 PolarHBondContact O-N 2.99Å; H68-Y70 HydrophobicContact CB-CD2 4.48Å; H68-Y70 HydrophobicContact CB-CE2 3.75Å; Y70-V77 HydrophobicContact CD1-CG1 4.09Å; Y70-V79 HydrophobicContact CD1-CG2 3.68Å; Y70-V79 HydrophobicContact CE1-CG1 4.41Å; Y70-V79 HydrophobicContact CE1-CG2 3.64Å; Y70-V79 HydrophobicContact CE2-CG1 4.22Å; Y70-V79 HydrophobicContact CG-CG2 4.33Å; Y70-F92 HydrophobicContact CD1-CE2 4.22Å; Y70-F92 AromaticContact CE1-CE2 3.88Å; Y70-F92 HydrophobicContact CE1-CE2 3.88Å; Y70-L105 HydrophobicContact CD2-CD1 3.79Å; Y70-L105 HydrophobicContact CD2-CD2 3.88Å; Y70-L105 HydrophobicContact CD2-CG 4.42Å; Y70-L105 HydrophobicContact CE1-CD2 4.21Å; Y70-L105 HydrophobicContact CE2-CD1 4.34Å; Y70-L105 HydrophobicContact CE2-CD2 3.56Å; Y70-L105 HydrophobicContact CG-CD1 4.03Å; Y70-L105 HydrophobicContact CG-CD2 4.39Å; Y70-V112 HydrophobicContact CD1-CG2 3.78Å; Y70-V112 HydrophobicContact CE1-CG2 3.6Å; Y70-I126 HydrophobicContact CE1-CD1 4.08Å; Y70-I126 HydrophobicContact CE1-CG1 4.42Å; Y70-I126 WeakPolarHBondContact OH-CG2 3.44Å |
| 71 | V | 98.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120 | -173 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | V35 L50 V56 S58 L69 V77 S78 F80 | V35-V71 HydrophobicContact CG1-CG2 4.47Å; V35-V71 HydrophobicContact CG2-CG1 3.86Å; L50-V71 HydrophobicContact CD1-CG1 4.23Å; V56-V71 HydrophobicContact CB-CG1 4.41Å; V56-V71 HydrophobicContact CG1-CG1 3.26Å; V56-V71 HydrophobicContact CG2-CG1 4.24Å; S58-V71 WeakPolarHBondContact O-CA 3.49Å; L69-V71 HydrophobicContact CD1-CG2 4.42Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.77Å; V71-V77 CarbonylContact O-C 3.5Å; V71-V77 WeakPolarHBondContact O-CA 3.5Å; V71-S78 PolarHBondContact N-O 2.79Å; V71-S78 PolarHBondContact O-N 3.02Å; V71-F80 HydrophobicContact CB-CD2 4.31Å; V71-F80 HydrophobicContact CB-CE2 4.09Å; V71-F80 HydrophobicContact CG2-CD2 3.8Å; V71-F80 HydrophobicContact CG2-CE2 4.03Å |
| 72 | S | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 146.3 | 172.9 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | V56 T57 S58 A76 I100 | V56-S72 WeakPolarHBondContact CA-O 3.47Å; T57-S72 PolarHBondContact OG1-OG 3.33Å; S58-S72 WeakPolarHBondContact CA-OG 3.29Å; S58-S72 WeakPolarHBondContact CB-OG 3.2Å; S58-S72 PolarHBondContact N-OG 3.04Å; S58-S72 PolarHBondContact O-N 3.22Å; S58-S72 PolarHBondContact O-OG 3.08Å; S72-A76 WeakPolarHBondContact CA-O 3.36Å; S72-I100 VanDerWaalsContact CB-CG2 3.44Å |
| 73 | H | 97.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 127.4 | 171.5 | 60.9 | 107.2 | 0 | 0 | 0 | 108.2 | L50 E54 D55 D75 A76 S78 | L50-H73 HydrophobicContact CD1-CB 3.65Å; E54-H73 HydrophobicContact CB-CB 4.42Å; D55-H73 WeakPolarHBondContact O-CA 3.41Å; H73-D75 PolarHBondContact O-N 2.89Å; H73-A76 PolarHBondContact N-O 3.37Å; H73-A76 PolarHBondContact O-N 2.88Å; H73-S78 PolarHBondContact NE2-OG 3.04Å |
| 74 | G | 97.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -132.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A76 E99 I100 | G74-A76 VanDerWaalsContact C-N 3.34Å; G74-E99 WeakPolarHBondContact CA-OE2 3.29Å; G74-E99 PolarHBondContact N-OE1 3.02Å; G74-E99 VanDerWaalsContact N-OE1 3.11Å; G74-I100 WeakPolarHBondContact O-CG1 3.43Å; G74-I100 PolarHBondContact O-N 3.28Å |
| 75 | D | 97.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 25.8 Ų | 25.8 | 39% | 0.39 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.9 | 174.6 | 77.4 | -11.7 | 0 | 0 | 0 | 114 | H73 G94 A95 G96 | H73-D75 PolarHBondContact O-N 2.89Å; D75-G94 CarbonylContact O-C 3.59Å; D75-G94 PolarHBondContact O-N 3.37Å; D75-A95 PolarHBondContact O-N 3.15Å; D75-G96 PolarHBondContact O-N 3.02Å |
| 76 | A | 97.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S72 H73 G74 F92 I100 | S72-A76 WeakPolarHBondContact CA-O 3.36Å; H73-A76 PolarHBondContact N-O 3.37Å; H73-A76 PolarHBondContact O-N 2.88Å; G74-A76 VanDerWaalsContact C-N 3.34Å; A76-F92 WeakPolarHBondContact CA-O 3.13Å; A76-I100 WeakPolarHBondContact O-CD1 3.32Å |
| 77 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.9 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | Y70 V71 F92 A95 I100 V103 V114 | Y70-V77 HydrophobicContact CD1-CG1 4.09Å; V71-V77 CarbonylContact O-C 3.5Å; V71-V77 WeakPolarHBondContact O-CA 3.5Å; V77-F92 HydrophobicContact CB-CB 4.39Å; V77-F92 HydrophobicContact CB-CD2 4.12Å; V77-F92 HydrophobicContact CG1-CD2 4.26Å; V77-F92 PolarHBondContact N-O 3.07Å; V77-F92 VanDerWaalsContact N-O 3.13Å; V77-F92 WeakPolarHBondContact O-CB 2.95Å; V77-F92 PolarHBondContact O-N 3.38Å; V77-A95 HydrophobicContact CB-CB 4.32Å; V77-A95 HydrophobicContact CG2-CB 3.85Å; V77-I100 HydrophobicContact CG2-CD1 3.8Å; V77-V103 HydrophobicContact CG2-CG1 3.92Å; V77-V114 HydrophobicContact CG2-CG2 4.07Å |
| 78 | S | 97.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.8 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | V71 H73 | V71-S78 PolarHBondContact N-O 2.79Å; V71-S78 PolarHBondContact O-N 3.02Å; H73-S78 PolarHBondContact NE2-OG 3.04Å |
| 79 | V | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.2 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | H68 L69 Y70 P88 V89 E90 F92 | H68-V79 HydrophobicContact CB-CG1 3.91Å; L69-V79 CarbonylContact O-C 3.57Å; L69-V79 VanDerWaalsContact O-CA 3.31Å; L69-V79 WeakPolarHBondContact O-CA 3.5Å; Y70-V79 HydrophobicContact CD1-CG2 3.68Å; Y70-V79 HydrophobicContact CE1-CG1 4.41Å; Y70-V79 HydrophobicContact CE1-CG2 3.64Å; Y70-V79 HydrophobicContact CE2-CG1 4.22Å; Y70-V79 HydrophobicContact CG-CG2 4.33Å; V79-P88 CarbonylContact O-C 3.54Å; V79-P88 WeakPolarHBondContact O-CA 3.47Å; V79-V89 HydrophobicContact CB-CG2 3.93Å; V79-V89 HydrophobicContact CG1-CG2 3.73Å; V79-V89 VanDerWaalsContact O-CG2 3.31Å; V79-V89 WeakPolarHBondContact O-CG2 3.44Å; V79-V89 PolarHBondContact O-N 3.38Å; V79-E90 HydrophobicContact CB-CB 4.08Å; V79-E90 HydrophobicContact CG2-CB 4.05Å; V79-E90 PolarHBondContact N-O 2.84Å; V79-F92 HydrophobicContact CG2-CD2 4.34Å; V79-F92 HydrophobicContact CG2-CE2 3.57Å; V79-F92 HydrophobicContact CG2-CZ 3.69Å |
| 80 | F | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.1 | -178.9 | -64.9 | -83.5 | 0 | 0 | 0 | 112.3 | L48 L50 H68 L69 V71 P82 L85 G87 P88 | L48-F80 HydrophobicContact CD2-CD1 4.05Å; L48-F80 HydrophobicContact CD2-CE1 3.22Å; L48-F80 HydrophobicContact CD2-CZ 3.61Å; L50-F80 HydrophobicContact CD2-CE2 4.04Å; L50-F80 HydrophobicContact CD2-CZ 3.49Å; L50-F80 VanDerWaalsContact CD2-CZ 3.49Å; H68-F80 WeakPolarHBondContact CA-O 3.31Å; L69-F80 HydrophobicContact CB-CB 4.47Å; L69-F80 PolarHBondContact N-O 3.5Å; L69-F80 PolarHBondContact O-N 3.28Å; V71-F80 HydrophobicContact CB-CD2 4.31Å; V71-F80 HydrophobicContact CB-CE2 4.09Å; V71-F80 HydrophobicContact CG2-CD2 3.8Å; V71-F80 HydrophobicContact CG2-CE2 4.03Å; F80-P82 WeakPolarHBondContact O-CD 3.32Å; F80-L85 HydrophobicContact CB-CD2 3.9Å; F80-L85 HydrophobicContact CD1-CD2 4.1Å; F80-L85 HydrophobicContact CG-CD2 4.02Å; F80-G87 WeakPolarHBondContact CD1-O 3.18Å; F80-G87 VanDerWaalsContact CE1-C 3.43Å; F80-P88 HydrophobicContact CE1-CB 3.98Å; F80-P88 HydrophobicContact CE1-CG 4.49Å; F80-P88 VanDerWaalsContact CE1-N 3.31Å; F80-P88 HydrophobicContact CZ-CB 4.1Å |
| 81 | D | 93.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -79.6 | 113 | 154.8 | -173.4 | -26.8 | 0 | 0 | 0 | 108 | A67 R83 S84 | A67-D81 WeakPolarHBondContact O-CA 3.44Å; D81-R83 PolarHBondContact O-N 2.75Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 WeakPolarHBondContact OD1-CB 3.49Å; D81-R83 IonicContact OD1-CZ 3.84Å; D81-R83 PolarHBondContact OD1-N 2.79Å; D81-R83 IonicContact OD1-NE 3.65Å; D81-R83 PolarHBondContact OD1-NE 3.43Å; D81-R83 VanDerWaalsContact OD1-NE 3.07Å; D81-R83 IonicContact OD1-NH2 2.83Å; D81-R83 IonicContact OD2-CZ 3.65Å; D81-R83 IonicContact OD2-NE 3.82Å; D81-R83 IonicContact OD2-NH2 3.07Å; D81-R83 PolarHBondContact OD2-NH2 3.13Å; D81-S84 CarbonylContact O-C 3.59Å; D81-S84 PolarHBondContact O-N 2.84Å | ||
| 82 | P | 91.6 | Very high | 94 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.4 | -176.3 | 28.9 | -35.6 | 0 | 0 | 0 | 113 | L25 V37 F61 A67 L69 F80 | L25-P82 HydrophobicContact CD1-CB 3.98Å; L25-P82 HydrophobicContact CD1-CG 4.1Å; V37-P82 HydrophobicContact CG1-CB 4.45Å; V37-P82 HydrophobicContact CG2-CB 4.31Å; F61-P82 HydrophobicContact CD1-CG 4.48Å; F61-P82 HydrophobicContact CE1-CB 3.78Å; F61-P82 HydrophobicContact CE1-CG 3.91Å; F61-P82 HydrophobicContact CZ-CB 4.46Å; A67-P82 WeakPolarHBondContact O-CD 3.48Å; L69-P82 HydrophobicContact CB-CB 4.29Å; F80-P82 WeakPolarHBondContact O-CD 3.32Å |
| 83 | R | 86.9 | Confident | 93.9 | Very high | 134 Ų | 134 | 48.1 Ų | 48.1 | 51% | 0.506 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.2 | 175.8 | -55.6 | 164.5 | -59.8 | 177.4 | 7.3 | 112.2 | L25 D81 | L25-R83 HydrophobicContact CD1-CG 4.27Å; D81-R83 PolarHBondContact O-N 2.75Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 WeakPolarHBondContact OD1-CB 3.49Å; D81-R83 IonicContact OD1-CZ 3.84Å; D81-R83 PolarHBondContact OD1-N 2.79Å; D81-R83 IonicContact OD1-NE 3.65Å; D81-R83 PolarHBondContact OD1-NE 3.43Å; D81-R83 VanDerWaalsContact OD1-NE 3.07Å; D81-R83 IonicContact OD1-NH2 2.83Å; D81-R83 IonicContact OD2-CZ 3.65Å; D81-R83 IonicContact OD2-NE 3.82Å; D81-R83 IonicContact OD2-NH2 3.07Å; D81-R83 PolarHBondContact OD2-NH2 3.13Å |
| 84 | S | 86.7 | Confident | 93.8 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | trans | -147.2 | 82.4 | 177.9 | -153.1 | 0 | 0 | 0 | 0 | 111.6 | D81 K86 | D81-S84 CarbonylContact O-C 3.59Å; D81-S84 PolarHBondContact O-N 2.84Å; S84-K86 PolarHBondContact O-N 2.83Å | ||
| 85 | L | 88.8 | Confident | 93.8 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | trans | -73.5 | 56.8 | 175.9 | -69 | 176.7 | 0 | 0 | 0 | 113 | V37 L48 F80 | V37-L85 HydrophobicContact CB-CD1 3.98Å; V37-L85 HydrophobicContact CG2-CD1 3.71Å; V37-L85 HydrophobicContact CG2-CD2 4.3Å; V37-L85 HydrophobicContact CG2-CG 4.24Å; L48-L85 HydrophobicContact CB-CB 4.45Å; F80-L85 HydrophobicContact CB-CD2 3.9Å; F80-L85 HydrophobicContact CD1-CD2 4.1Å; F80-L85 HydrophobicContact CG-CD2 4.02Å | ||
| 86 | K | 85.3 | Confident | 93.9 | Very high | 188 Ų | 188 | 44.9 Ų | 44.9 | 82% | 0.817 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -88.6 | -21.9 | 176.8 | -68.1 | -177.8 | -179.8 | 178.1 | 0 | 113.2 | S84 | S84-K86 PolarHBondContact O-N 2.83Š|
| 87 | G | 87.9 | Confident | 93.9 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 164.7 | 167.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F80 | F80-G87 WeakPolarHBondContact CD1-O 3.18Å; F80-G87 VanDerWaalsContact CE1-C 3.43Å |
| 88 | P | 93.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | trans | -68.4 | 136.4 | -179.6 | 26.8 | -32.4 | 0 | 0 | 0 | 110.8 | V79 F80 E90 | V79-P88 CarbonylContact O-C 3.54Å; V79-P88 WeakPolarHBondContact O-CA 3.47Å; F80-P88 HydrophobicContact CE1-CB 3.98Å; F80-P88 HydrophobicContact CE1-CG 4.49Å; F80-P88 VanDerWaalsContact CE1-N 3.31Å; F80-P88 HydrophobicContact CZ-CB 4.1Å; P88-E90 WeakPolarHBondContact CB-O 3.28Å | ||
| 89 | V | 94.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 55 Ų | 55 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -77.3 | -31.9 | 169.3 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | V79 | V79-V89 HydrophobicContact CB-CG2 3.93Å; V79-V89 HydrophobicContact CG1-CG2 3.73Å; V79-V89 VanDerWaalsContact O-CG2 3.31Å; V79-V89 WeakPolarHBondContact O-CG2 3.44Å; V79-V89 PolarHBondContact O-N 3.38Å |
| 90 | E | 95.1 | Very high | 94 | Very high | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.7 | 170.2 | -62.5 | -171 | 127.7 | 0 | 0 | 109 | V79 P88 F92 G128 | V79-E90 HydrophobicContact CB-CB 4.08Å; V79-E90 HydrophobicContact CG2-CB 4.05Å; V79-E90 PolarHBondContact N-O 2.84Å; P88-E90 WeakPolarHBondContact CB-O 3.28Å; E90-F92 HydrophobicContact CB-CD1 4.41Å; E90-F92 HydrophobicContact CB-CE1 3.62Å; E90-F92 HydrophobicContact CB-CZ 3.98Å; E90-F92 HydrophobicContact CG-CE1 4.35Å; E90-F92 VanDerWaalsContact OE2-CZ 3.27Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.41Å; E90-G128 PolarHBondContact OE1-N 2.77Å |
| 91 | D | 95.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 115.8 | 177.4 | -178.2 | 13.5 | 0 | 0 | 0 | 108.6 | R93 | D91-R93 IonicContact OD2-CZ 2.94Å; D91-R93 VanDerWaalsContact OD2-CZ 3.26Å; D91-R93 IonicContact OD2-NE 3.65Å; D91-R93 PolarHBondContact OD2-NE 2.84Å; D91-R93 IonicContact OD2-NH2 3.76Å; D91-R93 PolarHBondContact OD2-NH2 3.22Å |
| 92 | F | 97.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 81.7 | -178 | -50 | -33.3 | 0 | 0 | 0 | 109.7 | Y70 A76 V77 V79 E90 A95 L124 I126 G129 | Y70-F92 HydrophobicContact CD1-CE2 4.22Å; Y70-F92 AromaticContact CE1-CE2 3.88Å; Y70-F92 HydrophobicContact CE1-CE2 3.88Å; A76-F92 WeakPolarHBondContact CA-O 3.13Å; V77-F92 HydrophobicContact CB-CB 4.39Å; V77-F92 HydrophobicContact CB-CD2 4.12Å; V77-F92 HydrophobicContact CG1-CD2 4.26Å; V77-F92 PolarHBondContact N-O 3.07Å; V77-F92 VanDerWaalsContact N-O 3.13Å; V77-F92 WeakPolarHBondContact O-CB 2.95Å; V77-F92 PolarHBondContact O-N 3.38Å; V79-F92 HydrophobicContact CG2-CD2 4.34Å; V79-F92 HydrophobicContact CG2-CE2 3.57Å; V79-F92 HydrophobicContact CG2-CZ 3.69Å; E90-F92 HydrophobicContact CB-CD1 4.41Å; E90-F92 HydrophobicContact CB-CE1 3.62Å; E90-F92 HydrophobicContact CB-CZ 3.98Å; E90-F92 HydrophobicContact CG-CE1 4.35Å; E90-F92 VanDerWaalsContact OE2-CZ 3.27Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.41Å; F92-A95 HydrophobicContact CB-CB 4.26Å; F92-A95 VanDerWaalsContact O-CB 3.27Å; F92-A95 WeakPolarHBondContact O-CB 3.09Å; F92-A95 PolarHBondContact O-N 2.81Å; F92-L124 HydrophobicContact CB-CD2 3.92Å; F92-L124 HydrophobicContact CD2-CD2 4.07Å; F92-L124 HydrophobicContact CG-CD2 4.21Å; F92-I126 HydrophobicContact CD2-CD1 4.41Å; F92-I126 HydrophobicContact CE2-CD1 3.42Å; F92-I126 VanDerWaalsContact CE2-CD1 3.42Å; F92-I126 HydrophobicContact CZ-CD1 3.53Å; F92-G129 VanDerWaalsContact CD1-CA 3.45Å |
| 93 | R | 95.9 | Very high | 94.6 | Very high | 176 Ų | 176 | 55.8 Ų | 55.8 | 66% | 0.664 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 141 | 177 | -65.7 | -175.9 | 178.9 | -89.8 | -15 | 111.6 | D91 A95 | D91-R93 IonicContact OD2-CZ 2.94Å; D91-R93 VanDerWaalsContact OD2-CZ 3.26Å; D91-R93 IonicContact OD2-NE 3.65Å; D91-R93 PolarHBondContact OD2-NE 2.84Å; D91-R93 IonicContact OD2-NH2 3.76Å; D91-R93 PolarHBondContact OD2-NH2 3.22Å; R93-A95 PolarHBondContact O-N 2.96Å |
| 94 | G | 95.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 50 Ų | 50 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 32.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D75 G96 R122 | D75-G94 CarbonylContact O-C 3.59Å; D75-G94 PolarHBondContact O-N 3.37Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 CarbonylContact C-O 3.56Å; G94-R122 PolarHBondContact O-NH1 2.82Å |
| 95 | A | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -65.5 | -37.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | D75 V77 F92 R93 I100 V114 R122 L124 | D75-A95 PolarHBondContact O-N 3.15Å; V77-A95 HydrophobicContact CB-CB 4.32Å; V77-A95 HydrophobicContact CG2-CB 3.85Å; F92-A95 HydrophobicContact CB-CB 4.26Å; F92-A95 VanDerWaalsContact O-CB 3.27Å; F92-A95 WeakPolarHBondContact O-CB 3.09Å; F92-A95 PolarHBondContact O-N 2.81Å; R93-A95 PolarHBondContact O-N 2.96Å; A95-I100 HydrophobicContact CB-CD1 4.15Å; A95-V114 HydrophobicContact CB-CG2 4.38Å; A95-R122 WeakPolarHBondContact O-CB 3.21Å; A95-R122 WeakPolarHBondContact O-CD 3.27Å; A95-L124 HydrophobicContact CB-CD1 4.44Å; A95-L124 HydrophobicContact CB-CD2 3.71Å |
| 96 | G | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -100.2 | 173.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D75 G94 R122 | D75-G96 PolarHBondContact O-N 3.02Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 CarbonylContact C-O 3.56Å; G96-R122 PolarHBondContact O-NH1 2.84Å; G96-R122 VanDerWaalsContact O-NH1 3.13Å |
| 97 | E | 98 | Very high | 96.2 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 29% | 0.29 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.8 | -28 | 166.3 | -75.9 | 174.3 | -152.4 | 0 | 0 | 113 | D116 R122 R136 | E97-D116 PolarHBondContact N-OD2 3.04Å; E97-R122 VanDerWaalsContact CD-NH2 3.27Å; E97-R122 IonicContact OE1-CZ 3.66Å; E97-R122 VanDerWaalsContact OE1-CZ 3.3Å; E97-R122 IonicContact OE1-NE 3.9Å; E97-R122 PolarHBondContact OE1-NE 2.88Å; E97-R122 IonicContact OE1-NH2 3.54Å; E97-R122 PolarHBondContact OE1-NH2 2.85Å; E97-R136 IonicContact OE1-CZ 3.25Å; E97-R136 VanDerWaalsContact OE1-CZ 3.25Å; E97-R136 IonicContact OE1-NH1 3.48Å; E97-R136 PolarHBondContact OE1-NH1 2.89Å; E97-R136 IonicContact OE1-NH2 2.59Å; E97-R136 PolarHBondContact OE1-NH2 2.78Å; E97-R136 IonicContact OE2-CZ 3.17Å; E97-R136 IonicContact OE2-NH1 2.68Å; E97-R136 PolarHBondContact OE2-NH1 2.82Å; E97-R136 IonicContact OE2-NH2 2.82Å; E97-R136 PolarHBondContact OE2-NH2 2.96Å |
| 98 | E | 98 | Very high | 96.4 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -139.3 | -162.9 | 176.1 | -68.2 | -177.1 | -167.5 | 0 | 0 | 107.9 | I100 D117 S118 | E98-I100 PolarHBondContact O-N 2.91Å; E98-D117 HydrophobicContact CB-CB 3.98Å; E98-S118 PolarHBondContact OE2-N 2.96Å |
| 99 | E | 97.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | trans | -52.7 | 127.8 | 176.9 | -171.4 | 61.3 | -136.7 | 0 | 0 | 110.6 | T57 G74 D116 D117 | T57-E99 HydrophobicContact CG2-CG 4.42Å; G74-E99 WeakPolarHBondContact CA-OE2 3.29Å; G74-E99 PolarHBondContact N-OE1 3.02Å; G74-E99 VanDerWaalsContact N-OE1 3.11Å; E99-D116 CarbonylContact O-C 3.56Å; E99-D116 WeakPolarHBondContact O-CA 3.47Å; E99-D116 VanDerWaalsContact O-CB 3.29Å; E99-D116 WeakPolarHBondContact O-CB 3.46Å; E99-D117 HydrophobicContact CB-CB 4.47Å; E99-D117 PolarHBondContact O-N 2.93Å | ||
| 100 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.6 | 177.1 | -65.9 | 171.5 | 0 | 0 | 0 | 108.1 | T57 S72 G74 A76 V77 A95 E98 V103 V114 | T57-I100 WeakPolarHBondContact CB-O 3.32Å; T57-I100 WeakPolarHBondContact CG2-O 3.42Å; T57-I100 PolarHBondContact OG1-O 3.38Å; S72-I100 VanDerWaalsContact CB-CG2 3.44Å; G74-I100 WeakPolarHBondContact O-CG1 3.43Å; G74-I100 PolarHBondContact O-N 3.28Å; A76-I100 WeakPolarHBondContact O-CD1 3.32Å; V77-I100 HydrophobicContact CG2-CD1 3.8Å; A95-I100 HydrophobicContact CB-CD1 4.15Å; E98-I100 PolarHBondContact O-N 2.91Å; I100-V103 HydrophobicContact CG2-CG1 3.88Å; I100-V114 HydrophobicContact CB-CG1 4.17Å; I100-V114 HydrophobicContact CD1-CG1 3.53Å; I100-V114 HydrophobicContact CG1-CG1 3.46Å; I100-V114 VanDerWaalsContact CG1-CG1 3.46Å; I100-V114 HydrophobicContact CG2-CG1 3.71Å |
| 101 | N | 98.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -33.8 | 176 | -69.3 | -67.9 | 0 | 0 | 0 | 112.9 | A115 D117 I141 C142 | N101-A115 PolarHBondContact N-O 3.17Å; N101-D117 PolarHBondContact ND2-N 2.75Å; N101-D117 PolarHBondContact ND2-OD1 3.38Å; N101-D117 PolarHBondContact OD1-OD1 2.76Å; N101-I141 WeakPolarHBondContact ND2-CG2 3.27Å; N101-C142 PolarHBondContact ND2-O 2.53Å |
| 102 | A | 98.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 141.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A115 V145 | A102-A115 HydrophobicContact CB-CB 4.42Å; A102-A115 PolarHBondContact N-O 2.94Å; A102-A115 PolarHBondContact O-N 2.88Å; A102-V145 HydrophobicContact CB-CG1 4.23Å |
| 103 | V | 98.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.9 | 169.6 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | S58 V77 I100 V112 A113 V114 | S58-V103 PolarHBondContact OG-N 3.01Å; S58-V103 VanDerWaalsContact OG-N 3.1Å; V77-V103 HydrophobicContact CG2-CG1 3.92Å; I100-V103 HydrophobicContact CG2-CG1 3.88Å; V103-V112 HydrophobicContact CB-CG1 4.47Å; V103-A113 WeakPolarHBondContact CA-O 3.5Å; V103-V114 HydrophobicContact CG1-CG2 4.37Å |
| 104 | A | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | V112 A113 V145 F147 | A104-V112 CarbonylContact O-C 3.38Å; A104-V112 WeakPolarHBondContact O-CA 3.24Å; A104-A113 PolarHBondContact N-O 2.74Å; A104-A113 PolarHBondContact O-N 2.88Å; A104-V145 HydrophobicContact CB-CG1 4.17Å; A104-V145 WeakPolarHBondContact CB-O 3.36Å; A104-F147 HydrophobicContact CB-CD2 4.25Å; A104-F147 VanDerWaalsContact O-CE2 3.3Å; A104-F147 WeakPolarHBondContact O-CE2 3.41Å |
| 105 | L | 96.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 146.6 | 171.8 | -71.3 | 102.8 | 0 | 0 | 0 | 111.1 | S60 P63 Y70 V112 | S60-L105 WeakPolarHBondContact OG-CD1 3.39Å; P63-L105 HydrophobicContact CG-CB 4.44Å; Y70-L105 HydrophobicContact CD2-CD1 3.79Å; Y70-L105 HydrophobicContact CD2-CD2 3.88Å; Y70-L105 HydrophobicContact CD2-CG 4.42Å; Y70-L105 HydrophobicContact CE1-CD2 4.21Å; Y70-L105 HydrophobicContact CE2-CD1 4.34Å; Y70-L105 HydrophobicContact CE2-CD2 3.56Å; Y70-L105 HydrophobicContact CG-CD1 4.03Å; Y70-L105 HydrophobicContact CG-CD2 4.39Å; L105-V112 HydrophobicContact CD2-CG2 4.02Å; L105-V112 HydrophobicContact CG-CG2 4.03Å |
| 106 | N | 94.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -76.5 | 159.7 | 167.2 | 73.9 | -9.7 | 0 | 0 | 0 | 110.9 | P63 T108 G109 S110 N111 F147 | P63-N106 VanDerWaalsContact CG-O 3.32Å; P63-N106 WeakPolarHBondContact CG-O 3.38Å; N106-T108 VanDerWaalsContact CG-OG1 3.28Å; N106-T108 PolarHBondContact ND2-OG1 2.74Å; N106-T108 PolarHBondContact O-N 3.25Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-OG1 3.46Å; N106-G109 PolarHBondContact O-N 3.31Å; N106-G109 PolarHBondContact OD1-N 2.96Å; N106-S110 PolarHBondContact ND2-OG 3.43Å; N106-S110 VanDerWaalsContact ND2-OG 3.16Å; N106-S110 PolarHBondContact OD1-N 3.21Å; N106-N111 PolarHBondContact N-O 2.76Å; N106-N111 VanDerWaalsContact N-O 3.09Å; N106-N111 PolarHBondContact ND2-ND2 2.94Å; N106-N111 VanDerWaalsContact ND2-ND2 3.18Å; N106-N111 PolarHBondContact OD1-N 2.93Å; N106-N111 PolarHBondContact OD1-O 3.05Å; N106-F147 HydrophobicContact CB-CB 4.3Å; N106-F147 HydrophobicContact CB-CD1 3.67Å; N106-F147 HydrophobicContact CB-CD2 3.84Å; N106-F147 HydrophobicContact CB-CE1 3.85Å; N106-F147 HydrophobicContact CB-CE2 3.99Å; N106-F147 HydrophobicContact CB-CG 3.66Å; N106-F147 HydrophobicContact CB-CZ 4.01Å; N106-F147 VanDerWaalsContact N-CD2 3.3Å | ||
| 107 | E | 91.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 28.3 Ų | 28.3 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.5 | -177.3 | -65.6 | 178.6 | 157.1 | 0 | 0 | 113.4 | G109 P149 H150 | E107-G109 VanDerWaalsContact C-N 3.28Å; E107-G109 PolarHBondContact O-N 2.94Å; E107-P149 WeakPolarHBondContact OE1-CA 3.21Å; E107-P149 VanDerWaalsContact OE1-CB 3.31Å; E107-P149 WeakPolarHBondContact OE1-CB 3.36Å; E107-H150 VanDerWaalsContact CD-N 3.35Å; E107-H150 PolarHBondContact OE1-N 2.88Å; E107-H150 IonicContact OE1-ND1 3.96Å; E107-H150 WeakPolarHBondContact OE2-CA 3.46Å; E107-H150 PolarHBondContact OE2-N 2.97Å; E107-H150 IonicContact OE2-ND1 3.64Å |
| 108 | T | 91.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 27.2 Ų | 27.2 | 50% | 0.497 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -10.6 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | A64 N106 S110 P152 | A64-T108 WeakPolarHBondContact CB-O 3.37Å; N106-T108 VanDerWaalsContact CG-OG1 3.28Å; N106-T108 PolarHBondContact ND2-OG1 2.74Å; N106-T108 PolarHBondContact O-N 3.25Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-OG1 3.46Å; T108-S110 PolarHBondContact O-N 3.45Å; T108-S110 PolarHBondContact OG1-OG 2.61Å; T108-P152 HydrophobicContact CG2-CB 4.28Å |
| 109 | G | 91.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 64.7 | 15 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N106 E107 | N106-G109 PolarHBondContact O-N 3.31Å; N106-G109 PolarHBondContact OD1-N 2.96Å; E107-G109 VanDerWaalsContact C-N 3.28Å; E107-G109 PolarHBondContact O-N 2.94Å |
| 110 | S | 94.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 30% | 0.301 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -92.8 | -17.6 | -175.9 | 69.6 | 0 | 0 | 0 | 0 | 113 | N106 T108 I126 | N106-S110 PolarHBondContact ND2-OG 3.43Å; N106-S110 VanDerWaalsContact ND2-OG 3.16Å; N106-S110 PolarHBondContact OD1-N 3.21Å; T108-S110 PolarHBondContact O-N 3.45Å; T108-S110 PolarHBondContact OG1-OG 2.61Å; S110-I126 PolarHBondContact O-N 3.17Å |
| 111 | N | 96.2 | Very high | 96.8 | Very high | 21 Ų | 21 | 20.1 Ų | 20.1 | 11% | 0.112 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.3 | 178.1 | -60.4 | -65.8 | 0 | 0 | 0 | 111.3 | N106 I123 L124 F147 | N106-N111 PolarHBondContact N-O 2.76Å; N106-N111 VanDerWaalsContact N-O 3.09Å; N106-N111 PolarHBondContact ND2-ND2 2.94Å; N106-N111 VanDerWaalsContact ND2-ND2 3.18Å; N106-N111 PolarHBondContact OD1-N 2.93Å; N106-N111 PolarHBondContact OD1-O 3.05Å; N111-I123 HydrophobicContact CB-CG2 4.05Å; N111-L124 CarbonylContact C-O 3.43Å; N111-L124 WeakPolarHBondContact CA-O 3.2Å; N111-F147 HydrophobicContact CB-CZ 4.01Å |
| 112 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.6 | 167 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | Y70 V103 A104 L105 V114 I123 L124 I126 | Y70-V112 HydrophobicContact CD1-CG2 3.78Å; Y70-V112 HydrophobicContact CE1-CG2 3.6Å; V103-V112 HydrophobicContact CB-CG1 4.47Å; A104-V112 CarbonylContact O-C 3.38Å; A104-V112 WeakPolarHBondContact O-CA 3.24Å; L105-V112 HydrophobicContact CD2-CG2 4.02Å; L105-V112 HydrophobicContact CG-CG2 4.03Å; V112-V114 HydrophobicContact CG1-CG2 4.06Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.21Å; V112-L124 HydrophobicContact CB-CB 4.43Å; V112-L124 PolarHBondContact N-O 2.9Å; V112-L124 PolarHBondContact O-N 3.34Å; V112-I126 HydrophobicContact CG2-CD1 3.82Å; V112-I126 HydrophobicContact CG2-CG1 3.7Å |
| 113 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | V103 A104 V121 R122 I123 V145 F147 L155 | V103-A113 WeakPolarHBondContact CA-O 3.5Å; A104-A113 PolarHBondContact N-O 2.74Å; A104-A113 PolarHBondContact O-N 2.88Å; A113-V121 HydrophobicContact CB-CG1 4.46Å; A113-R122 CarbonylContact C-O 3.53Å; A113-R122 WeakPolarHBondContact CA-O 3.46Å; A113-I123 HydrophobicContact CB-CD1 3.68Å; A113-V145 HydrophobicContact CB-CG1 4.21Å; A113-V145 HydrophobicContact CB-CG2 3.81Å; A113-F147 HydrophobicContact CB-CD2 4.31Å; A113-F147 HydrophobicContact CB-CE2 3.54Å; A113-F147 HydrophobicContact CB-CZ 3.93Å; A113-L155 HydrophobicContact CB-CD2 4.46Å |
| 114 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.6 | -177.9 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | V77 A95 I100 V103 V112 V121 R122 L124 | V77-V114 HydrophobicContact CG2-CG2 4.07Å; A95-V114 HydrophobicContact CB-CG2 4.38Å; I100-V114 HydrophobicContact CB-CG1 4.17Å; I100-V114 HydrophobicContact CD1-CG1 3.53Å; I100-V114 HydrophobicContact CG1-CG1 3.46Å; I100-V114 VanDerWaalsContact CG1-CG1 3.46Å; I100-V114 HydrophobicContact CG2-CG1 3.71Å; V103-V114 HydrophobicContact CG1-CG2 4.37Å; V112-V114 HydrophobicContact CG1-CG2 4.06Å; V114-V121 CarbonylContact O-C 3.43Å; V114-V121 WeakPolarHBondContact O-CA 3.43Å; V114-R122 PolarHBondContact N-O 3.34Å; V114-R122 PolarHBondContact O-N 2.85Å; V114-L124 HydrophobicContact CB-CD1 4.47Å; V114-L124 HydrophobicContact CG2-CD1 3.85Å |
| 115 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N101 A102 V121 C142 V145 | N101-A115 PolarHBondContact N-O 3.17Å; A102-A115 HydrophobicContact CB-CB 4.42Å; A102-A115 PolarHBondContact N-O 2.94Å; A102-A115 PolarHBondContact O-N 2.88Å; A115-V121 HydrophobicContact CB-CG2 4.35Å; A115-C142 HydrophobicContact CB-CB 4.06Å; A115-C142 VanDerWaalsContact CB-SG 3.56Å; A115-V145 HydrophobicContact CB-CB 4.02Å; A115-V145 HydrophobicContact CB-CG1 3.89Å |
| 116 | D | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 171.4 | -173.1 | 66.8 | 31.6 | 0 | 0 | 0 | 114.4 | E97 E99 S118 G119 V120 C142 | E97-D116 PolarHBondContact N-OD2 3.04Å; E99-D116 CarbonylContact O-C 3.56Å; E99-D116 WeakPolarHBondContact O-CA 3.47Å; E99-D116 VanDerWaalsContact O-CB 3.29Å; E99-D116 WeakPolarHBondContact O-CB 3.46Å; D116-S118 PolarHBondContact O-N 3.01Å; D116-S118 WeakPolarHBondContact OD1-CB 3.45Å; D116-S118 PolarHBondContact OD1-N 2.89Å; D116-S118 VanDerWaalsContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 3.23Å; D116-G119 PolarHBondContact O-N 2.89Å; D116-G119 VanDerWaalsContact O-N 3.11Å; D116-G119 PolarHBondContact OD1-N 2.73Å; D116-V120 PolarHBondContact N-O 3.29Å; D116-V120 PolarHBondContact OD1-N 2.81Å; D116-C142 PolarHBondContact O-N 3Å |
| 117 | D | 98.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.3 | -179.6 | -88.6 | 1.2 | 0 | 0 | 0 | 114.1 | E98 E99 N101 G119 I141 | E98-D117 HydrophobicContact CB-CB 3.98Å; E99-D117 HydrophobicContact CB-CB 4.47Å; E99-D117 PolarHBondContact O-N 2.93Å; N101-D117 PolarHBondContact ND2-N 2.75Å; N101-D117 PolarHBondContact ND2-OD1 3.38Å; N101-D117 PolarHBondContact OD1-OD1 2.76Å; D117-G119 PolarHBondContact O-N 3.05Å; D117-G119 VanDerWaalsContact O-N 3.11Å; D117-I141 HydrophobicContact CB-CG1 4.26Å; D117-I141 WeakPolarHBondContact O-CA 3.32Å; D117-I141 WeakPolarHBondContact OD1-CG2 3.23Å |
| 118 | S | 98.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6 | 176.1 | 81.5 | 0 | 0 | 0 | 0 | 113.2 | E98 D116 V120 | E98-S118 PolarHBondContact OE2-N 2.96Å; D116-S118 PolarHBondContact O-N 3.01Å; D116-S118 WeakPolarHBondContact OD1-CB 3.45Å; D116-S118 PolarHBondContact OD1-N 2.89Å; D116-S118 VanDerWaalsContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 3.23Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 WeakPolarHBondContact OG-CG2 3.39Å |
| 119 | G | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 81.5 | 14.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D116 D117 H138 N140 | D116-G119 PolarHBondContact O-N 2.89Å; D116-G119 VanDerWaalsContact O-N 3.11Å; D116-G119 PolarHBondContact OD1-N 2.73Å; D117-G119 PolarHBondContact O-N 3.05Å; D117-G119 VanDerWaalsContact O-N 3.11Å; G119-H138 WeakPolarHBondContact O-CB 3.41Å; G119-N140 WeakPolarHBondContact CA-O 3.35Å |
| 120 | V | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.3 | -177.8 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | D116 S118 R122 R136 | D116-V120 PolarHBondContact N-O 3.29Å; D116-V120 PolarHBondContact OD1-N 2.81Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 WeakPolarHBondContact OG-CG2 3.39Å; V120-R122 HydrophobicContact CG1-CG 4Å; V120-R136 HydrophobicContact CG1-CG 4.22Å; V120-R136 HydrophobicContact CG2-CG 4.14Å |
| 121 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110.8 | 166 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | A113 V114 A115 I123 L135 C142 V145 L155 | A113-V121 HydrophobicContact CB-CG1 4.46Å; V114-V121 CarbonylContact O-C 3.43Å; V114-V121 WeakPolarHBondContact O-CA 3.43Å; A115-V121 HydrophobicContact CB-CG2 4.35Å; V121-I123 HydrophobicContact CG1-CD1 4.2Å; V121-L135 HydrophobicContact CB-CB 4.15Å; V121-L135 HydrophobicContact CB-CD1 4.34Å; V121-L135 HydrophobicContact CG1-CD1 4.28Å; V121-L135 PolarHBondContact N-O 2.97Å; V121-L135 VanDerWaalsContact N-O 3.08Å; V121-L135 WeakPolarHBondContact O-CB 3.47Å; V121-L135 PolarHBondContact O-N 2.89Å; V121-C142 HydrophobicContact CG2-CB 4.46Å; V121-C142 WeakPolarHBondContact CG2-SG 3.34Å; V121-V145 HydrophobicContact CG1-CG2 4Å; V121-L155 HydrophobicContact CG1-CD1 4.21Å |
| 122 | R | 98.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.2 | 175.9 | -76.3 | -179.2 | 168.4 | -170.8 | 1.6 | 110.9 | G94 A95 G96 E97 A113 V114 V120 L124 V131 R133 | G94-R122 PolarHBondContact O-NH1 2.82Å; A95-R122 WeakPolarHBondContact O-CB 3.21Å; A95-R122 WeakPolarHBondContact O-CD 3.27Å; G96-R122 PolarHBondContact O-NH1 2.84Å; G96-R122 VanDerWaalsContact O-NH1 3.13Å; E97-R122 VanDerWaalsContact CD-NH2 3.27Å; E97-R122 IonicContact OE1-CZ 3.66Å; E97-R122 VanDerWaalsContact OE1-CZ 3.3Å; E97-R122 IonicContact OE1-NE 3.9Å; E97-R122 PolarHBondContact OE1-NE 2.88Å; E97-R122 IonicContact OE1-NH2 3.54Å; E97-R122 PolarHBondContact OE1-NH2 2.85Å; A113-R122 CarbonylContact C-O 3.53Å; A113-R122 WeakPolarHBondContact CA-O 3.46Å; V114-R122 PolarHBondContact N-O 3.34Å; V114-R122 PolarHBondContact O-N 2.85Å; V120-R122 HydrophobicContact CG1-CG 4Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; R122-V131 HydrophobicContact CB-CG1 4.42Å; R122-V131 HydrophobicContact CG-CG1 4.31Å; R122-R133 WeakPolarHBondContact CA-O 3.23Å |
| 123 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.8 | 175 | -47 | -60.4 | 0 | 0 | 0 | 108.2 | N111 V112 A113 V121 V131 C132 R133 L135 L155 L169 | N111-I123 HydrophobicContact CB-CG2 4.05Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.21Å; A113-I123 HydrophobicContact CB-CD1 3.68Å; V121-I123 HydrophobicContact CG1-CD1 4.2Å; I123-V131 CarbonylContact O-C 3.59Å; I123-V131 WeakPolarHBondContact O-CA 3.46Å; I123-C132 PolarHBondContact O-N 2.79Å; I123-C132 PolarHBondContact O-SG 2.69Å; I123-C132 VanDerWaalsContact O-SG 3.34Å; I123-R133 HydrophobicContact CB-CB 4.09Å; I123-R133 HydrophobicContact CG1-CB 4.05Å; I123-R133 PolarHBondContact N-O 2.97Å; I123-R133 PolarHBondContact O-N 3.47Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CG1-CD1 4.34Å; I123-L155 HydrophobicContact CD1-CD2 3.45Å; I123-L155 VanDerWaalsContact CD1-CD2 3.45Å; I123-L155 HydrophobicContact CG1-CD2 4.47Å; I123-L169 HydrophobicContact CD1-CD2 4.22Å; I123-L169 HydrophobicContact CG1-CD2 3.86Å; I123-L169 HydrophobicContact CG2-CD1 4.16Å |
| 124 | L | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.6 | 178.9 | -70.6 | 71.7 | 0 | 0 | 0 | 109.1 | F92 A95 N111 V112 V114 R122 G129 K130 V131 | F92-L124 HydrophobicContact CB-CD2 3.92Å; F92-L124 HydrophobicContact CD2-CD2 4.07Å; F92-L124 HydrophobicContact CG-CD2 4.21Å; A95-L124 HydrophobicContact CB-CD1 4.44Å; A95-L124 HydrophobicContact CB-CD2 3.71Å; N111-L124 CarbonylContact C-O 3.43Å; N111-L124 WeakPolarHBondContact CA-O 3.2Å; V112-L124 HydrophobicContact CB-CB 4.43Å; V112-L124 PolarHBondContact N-O 2.9Å; V112-L124 PolarHBondContact O-N 3.34Å; V114-L124 HydrophobicContact CB-CD1 4.47Å; V114-L124 HydrophobicContact CG2-CD1 3.85Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; L124-G129 WeakPolarHBondContact CD2-O 3.42Å; L124-K130 CarbonylContact C-O 3.6Å; L124-K130 WeakPolarHBondContact CA-O 3.28Å; L124-V131 HydrophobicContact CD1-CG2 4.22Å; L124-V131 HydrophobicContact CG-CG2 4.04Å |
| 125 | E | 96.4 | Very high | 96.9 | Very high | 102 Ų | 102 | 41 Ų | 41 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 135.5 | 171.9 | -172.9 | 175.2 | -171.9 | 0 | 0 | 110.1 | G129 K130 | E125-G129 WeakPolarHBondContact O-CA 3.38Å; E125-G129 PolarHBondContact O-N 3.41Å; E125-K130 PolarHBondContact N-O 2.85Å; E125-K130 PolarHBondContact O-N 2.82Å |
| 126 | I | 94 | Very high | 96.8 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 138.5 | -179.3 | -57.1 | -57.3 | 0 | 0 | 0 | 109.4 | Y70 F92 S110 V112 | Y70-I126 HydrophobicContact CE1-CD1 4.08Å; Y70-I126 HydrophobicContact CE1-CG1 4.42Å; Y70-I126 WeakPolarHBondContact OH-CG2 3.44Å; F92-I126 HydrophobicContact CD2-CD1 4.41Å; F92-I126 HydrophobicContact CE2-CD1 3.42Å; F92-I126 VanDerWaalsContact CE2-CD1 3.42Å; F92-I126 HydrophobicContact CZ-CD1 3.53Å; S110-I126 PolarHBondContact O-N 3.17Å; V112-I126 HydrophobicContact CG2-CD1 3.82Å; V112-I126 HydrophobicContact CG2-CG1 3.7Å |
| 127 | P | 91.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 54.8 Ų | 54.8 | 72% | 0.721 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -77.7 | 166.3 | 1.7 | 32.8 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 128 | G | 91.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -4.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | E90 K130 | E90-G128 PolarHBondContact OE1-N 2.77Å; G128-K130 VanDerWaalsContact C-N 3.31Å; G128-K130 PolarHBondContact O-N 3.48Å |
| 129 | G | 95.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 27.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F92 L124 E125 V131 | F92-G129 VanDerWaalsContact CD1-CA 3.45Å; L124-G129 WeakPolarHBondContact CD2-O 3.42Å; E125-G129 WeakPolarHBondContact O-CA 3.38Å; E125-G129 PolarHBondContact O-N 3.41Å; G129-V131 PolarHBondContact O-N 2.87Å |
| 130 | K | 97.1 | Very high | 96.7 | Very high | 146 Ų | 146 | 60.5 Ų | 60.5 | 64% | 0.635 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.3 | -178 | -179 | -175.1 | 174.3 | -172.5 | 0 | 110.2 | L124 E125 G128 C132 | L124-K130 CarbonylContact C-O 3.6Å; L124-K130 WeakPolarHBondContact CA-O 3.28Å; E125-K130 PolarHBondContact N-O 2.85Å; E125-K130 PolarHBondContact O-N 2.82Å; G128-K130 VanDerWaalsContact C-N 3.31Å; G128-K130 PolarHBondContact O-N 3.48Å; K130-C132 PolarHBondContact O-N 3.28Å |
| 131 | V | 97.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 111.5 | 171 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | R122 I123 L124 G129 | R122-V131 HydrophobicContact CB-CG1 4.42Å; R122-V131 HydrophobicContact CG-CG1 4.31Å; I123-V131 CarbonylContact O-C 3.59Å; I123-V131 WeakPolarHBondContact O-CA 3.46Å; L124-V131 HydrophobicContact CD1-CG2 4.22Å; L124-V131 HydrophobicContact CG-CG2 4.04Å; G129-V131 PolarHBondContact O-N 2.87Å |
| 132 | C | 96.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 38% | 0.378 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -22.4 | 180 | 71 | 0 | 0 | 0 | 0 | 112.4 | I123 K130 | I123-C132 PolarHBondContact O-N 2.79Å; I123-C132 PolarHBondContact O-SG 2.69Å; I123-C132 VanDerWaalsContact O-SG 3.34Å; K130-C132 PolarHBondContact O-N 3.28Å |
| 133 | R | 96.8 | Very high | 96.7 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 150.5 | 177.2 | -58.8 | -178.2 | -178.1 | -81.5 | -2.7 | 111.9 | R122 I123 L169 | R122-R133 WeakPolarHBondContact CA-O 3.23Å; I123-R133 HydrophobicContact CB-CB 4.09Å; I123-R133 HydrophobicContact CG1-CB 4.05Å; I123-R133 PolarHBondContact N-O 2.97Å; I123-R133 PolarHBondContact O-N 3.47Å; R133-L169 PolarHBondContact NE-O 3.16Å; R133-L169 PolarHBondContact NH1-O 2.85Å; R133-L169 VanDerWaalsContact NH1-O 3.08Å; R133-L169 PolarHBondContact NH2-O 2.97Å |
| 134 | S | 97.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.3 | 168.9 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 135 | L | 97.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 103.2 | -176 | -51.4 | 175.7 | 0 | 0 | 0 | 108.1 | V121 I123 L155 W167 L169 | V121-L135 HydrophobicContact CB-CB 4.15Å; V121-L135 HydrophobicContact CB-CD1 4.34Å; V121-L135 HydrophobicContact CG1-CD1 4.28Å; V121-L135 PolarHBondContact N-O 2.97Å; V121-L135 VanDerWaalsContact N-O 3.08Å; V121-L135 WeakPolarHBondContact O-CB 3.47Å; V121-L135 PolarHBondContact O-N 2.89Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CG1-CD1 4.34Å; L135-L155 HydrophobicContact CD1-CD1 4.35Å; L135-L155 HydrophobicContact CD1-CD2 4.41Å; L135-W167 HydrophobicContact CB-CD2 4.21Å; L135-W167 HydrophobicContact CB-CE3 4.07Å; L135-W167 HydrophobicContact CB-CH2 3.75Å; L135-W167 HydrophobicContact CB-CZ2 3.95Å; L135-W167 HydrophobicContact CB-CZ3 3.85Å; L135-W167 HydrophobicContact CD1-CB 4.07Å; L135-W167 HydrophobicContact CD1-CD2 3.76Å; L135-W167 HydrophobicContact CD1-CE3 4.07Å; L135-W167 HydrophobicContact CD1-CG 3.76Å; L135-W167 HydrophobicContact CD2-CE3 4.04Å; L135-W167 HydrophobicContact CD2-CZ3 4.27Å; L135-W167 HydrophobicContact CG-CD2 4.4Å; L135-W167 HydrophobicContact CG-CE3 4.29Å; L135-W167 HydrophobicContact CG-CZ3 4.49Å; L135-L169 HydrophobicContact CD1-CD2 4.29Å |
| 136 | R | 96.2 | Very high | 96.8 | Very high | 152 Ų | 152 | 58 Ų | 58 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 97.9 | -173.2 | -58.1 | -175.1 | 175.4 | -91.6 | 7.5 | 110.1 | E97 V120 | E97-R136 IonicContact OE1-CZ 3.25Å; E97-R136 VanDerWaalsContact OE1-CZ 3.25Å; E97-R136 IonicContact OE1-NH1 3.48Å; E97-R136 PolarHBondContact OE1-NH1 2.89Å; E97-R136 IonicContact OE1-NH2 2.59Å; E97-R136 PolarHBondContact OE1-NH2 2.78Å; E97-R136 IonicContact OE2-CZ 3.17Å; E97-R136 IonicContact OE2-NH1 2.68Å; E97-R136 PolarHBondContact OE2-NH1 2.82Å; E97-R136 IonicContact OE2-NH2 2.82Å; E97-R136 PolarHBondContact OE2-NH2 2.96Å; V120-R136 HydrophobicContact CG1-CG 4.22Å; V120-R136 HydrophobicContact CG2-CG 4.14Å |
| 137 | R | 96.5 | Very high | 97 | Very high | 139 Ų | 139 | 57.8 Ų | 57.8 | 53% | 0.525 | 31% | 0.311 | S | S | . | . | trans | -146.2 | -31.3 | 176.6 | -172.7 | 60.2 | 174.9 | 166.7 | 5.4 | 114.3 | T139 I165 W167 | R137-T139 PolarHBondContact O-N 3.24Å; R137-I165 HydrophobicContact CB-CD1 3.81Å; R137-I165 HydrophobicContact CG-CD1 3.62Å; R137-W167 HydrophobicContact CB-CH2 3.41Å; R137-W167 VanDerWaalsContact CB-CH2 3.41Å; R137-W167 HydrophobicContact CB-CZ2 3.88Å; R137-W167 HydrophobicContact CB-CZ3 4.48Å; R137-W167 HydrophobicContact CG-CH2 4.37Å | ||
| 138 | H | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | trans | -63.3 | 138.8 | 174.7 | -69.1 | -76.6 | 0 | 0 | 0 | 109.8 | G119 N140 C142 S157 D161 Q163 | G119-H138 WeakPolarHBondContact O-CB 3.41Å; H138-N140 WeakPolarHBondContact CB-O 3.43Å; H138-C142 VanDerWaalsContact CD2-SG 3.56Å; H138-S157 PolarHBondContact NE2-OG 3.29Å; H138-D161 WeakPolarHBondContact CA-OD2 3.28Å; H138-D161 WeakPolarHBondContact CB-OD2 3.5Å; H138-D161 IonicContact CE1-OD1 3.15Å; H138-D161 IonicContact CG-OD1 2.77Å; H138-D161 IonicContact CG-OD2 3.89Å; H138-D161 IonicContact ND1-OD1 3.3Å; H138-D161 PolarHBondContact ND1-OD1 3.34Å; H138-D161 IonicContact ND1-OD2 3.82Å; H138-D161 PolarHBondContact ND1-OD2 2.84Å; H138-D161 VanDerWaalsContact ND1-OD2 3.08Å; H138-Q163 PolarHBondContact CE1-O 2.79Å | ||
| 139 | T | 97.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 73% | 0.73 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -99.1 | 4.5 | 179.6 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | R137 D161 | R137-T139 PolarHBondContact O-N 3.24Å; T139-D161 PolarHBondContact N-OD2 3.45Å; T139-D161 WeakPolarHBondContact OG1-CB 3.4Å |
| 140 | N | 98.1 | Very high | 97.3 | Very high | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -150.8 | -178.4 | 177.8 | -159.2 | -5.8 | 0 | 0 | 0 | 107.9 | G119 H138 C142 L160 D161 | G119-N140 WeakPolarHBondContact CA-O 3.35Å; H138-N140 WeakPolarHBondContact CB-O 3.43Å; N140-C142 PolarHBondContact O-N 3.06Å; N140-L160 HydrophobicContact CB-CB 4.41Å; N140-L160 PolarHBondContact ND2-O 2.98Å; N140-D161 HydrophobicContact CB-CB 3.86Å |
| 141 | I | 98.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | trans | -43.6 | 127.2 | 178.3 | -64.2 | 176.9 | 0 | 0 | 0 | 111.5 | N101 D117 S143 G159 L160 | N101-I141 WeakPolarHBondContact ND2-CG2 3.27Å; D117-I141 HydrophobicContact CB-CG1 4.26Å; D117-I141 WeakPolarHBondContact O-CA 3.32Å; D117-I141 WeakPolarHBondContact OD1-CG2 3.23Å; I141-S143 PolarHBondContact O-N 3.32Å; I141-G159 CarbonylContact O-C 3.49Å; I141-G159 WeakPolarHBondContact O-CA 3.3Å; I141-L160 HydrophobicContact CB-CB 4.44Å; I141-L160 HydrophobicContact CB-CD1 3.92Å; I141-L160 HydrophobicContact CB-CG 4.04Å; I141-L160 HydrophobicContact CD1-CD1 3.98Å; I141-L160 HydrophobicContact CG1-CD1 4.38Å; I141-L160 HydrophobicContact CG2-CD1 4.3Å; I141-L160 HydrophobicContact CG2-CG 4.37Å; I141-L160 PolarHBondContact O-N 3.11Å | ||
| 142 | C | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.3 | 168.6 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | N101 A115 D116 V121 H138 N140 V158 | N101-C142 PolarHBondContact ND2-O 2.53Å; A115-C142 HydrophobicContact CB-CB 4.06Å; A115-C142 VanDerWaalsContact CB-SG 3.56Å; D116-C142 PolarHBondContact O-N 3Å; V121-C142 HydrophobicContact CG2-CB 4.46Å; V121-C142 WeakPolarHBondContact CG2-SG 3.34Å; H138-C142 VanDerWaalsContact CD2-SG 3.56Å; N140-C142 PolarHBondContact O-N 3.06Å; C142-V158 CarbonylContact C-O 3.53Å; C142-V158 PolarHBondContact SG-O 3.44Å |
| 143 | S | 98.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -32.3 | -170.1 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | I141 V158 A203 H204 | I141-S143 PolarHBondContact O-N 3.32Å; S143-V158 PolarHBondContact N-O 3.47Å; S143-V158 PolarHBondContact OG-O 3.03Å; S143-A203 WeakPolarHBondContact CB-O 3.29Å; S143-A203 PolarHBondContact OG-O 2.94Å; S143-H204 PolarHBondContact OG-O 3.38Å |
| 144 | S | 98.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.5 | -174.5 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | S157 V158 H204 V206 | S144-S157 WeakPolarHBondContact O-CA 3.41Å; S144-V158 PolarHBondContact N-O 3.15Å; S144-V158 PolarHBondContact O-N 2.98Å; S144-H204 WeakPolarHBondContact CB-O 3.2Å; S144-V206 PolarHBondContact OG-N 2.8Å |
| 145 | V | 98.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.5 | 179.3 | 64 | 0 | 0 | 0 | 0 | 110.5 | A102 A104 A113 A115 V121 L155 V156 | A102-V145 HydrophobicContact CB-CG1 4.23Å; A104-V145 HydrophobicContact CB-CG1 4.17Å; A104-V145 WeakPolarHBondContact CB-O 3.36Å; A113-V145 HydrophobicContact CB-CG1 4.21Å; A113-V145 HydrophobicContact CB-CG2 3.81Å; A115-V145 HydrophobicContact CB-CB 4.02Å; A115-V145 HydrophobicContact CB-CG1 3.89Å; V121-V145 HydrophobicContact CG1-CG2 4Å; V145-L155 HydrophobicContact CG2-CD1 3.58Å; V145-V156 CarbonylContact C-O 3.59Å; V145-V156 WeakPolarHBondContact CA-O 3.43Å |
| 146 | A | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L155 V156 V206 V208 | A146-L155 CarbonylContact O-C 3.56Å; A146-L155 VanDerWaalsContact O-CA 3.24Å; A146-L155 WeakPolarHBondContact O-CA 3.45Å; A146-L155 WeakPolarHBondContact O-CB 3.4Å; A146-V156 PolarHBondContact N-O 2.96Å; A146-V156 PolarHBondContact O-N 2.84Å; A146-V206 HydrophobicContact CB-CG1 4.06Å; A146-V208 HydrophobicContact CB-CG2 4.24Å |
| 147 | F | 97.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 145.4 | 168.7 | -83.2 | -80.6 | 0 | 0 | 0 | 111.1 | A104 N106 N111 A113 P149 N154 L155 L169 | A104-F147 HydrophobicContact CB-CD2 4.25Å; A104-F147 VanDerWaalsContact O-CE2 3.3Å; A104-F147 WeakPolarHBondContact O-CE2 3.41Å; N106-F147 HydrophobicContact CB-CB 4.3Å; N106-F147 HydrophobicContact CB-CD1 3.67Å; N106-F147 HydrophobicContact CB-CD2 3.84Å; N106-F147 HydrophobicContact CB-CE1 3.85Å; N106-F147 HydrophobicContact CB-CE2 3.99Å; N106-F147 HydrophobicContact CB-CG 3.66Å; N106-F147 HydrophobicContact CB-CZ 4.01Å; N106-F147 VanDerWaalsContact N-CD2 3.3Å; N111-F147 HydrophobicContact CB-CZ 4.01Å; A113-F147 HydrophobicContact CB-CD2 4.31Å; A113-F147 HydrophobicContact CB-CE2 3.54Å; A113-F147 HydrophobicContact CB-CZ 3.93Å; F147-P149 WeakPolarHBondContact O-CD 3.21Å; F147-N154 WeakPolarHBondContact CD1-O 3.41Å; F147-L155 HydrophobicContact CD1-CB 3.9Å; F147-L155 HydrophobicContact CD1-CD2 4.37Å; F147-L155 HydrophobicContact CE1-CB 4.21Å; F147-L155 HydrophobicContact CE1-CD2 3.81Å; F147-L155 HydrophobicContact CG-CB 4.26Å; F147-L155 HydrophobicContact CZ-CD2 4.11Å; F147-L169 HydrophobicContact CE1-CD1 4.33Å |
| 148 | R | 96.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 123.3 | 176.1 | -178.8 | -177.9 | 175.9 | -173.8 | 7.3 | 109.7 | R151 N154 V208 G212 N213 S233 | R148-R151 HydrophobicContact CB-CB 4.21Å; R148-R151 HydrophobicContact CG-CB 4.01Å; R148-R151 HydrophobicContact CG-CG 4.3Å; R148-R151 CarbonylContact O-C 3.48Å; R148-R151 PolarHBondContact O-N 2.87Å; R148-N154 HydrophobicContact CB-CB 3.92Å; R148-N154 WeakPolarHBondContact CB-O 3.17Å; R148-N154 PolarHBondContact N-O 3.4Å; R148-V208 HydrophobicContact CG-CG1 4.34Å; R148-G212 PolarHBondContact NE-O 3.25Å; R148-G212 PolarHBondContact NH2-O 2.8Å; R148-N213 PolarHBondContact NH2-OD1 2.98Å; R148-S233 PolarHBondContact NH1-OG 3.5Å |
| 149 | P | 94.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 143.6 | 174.7 | -30.6 | 38.5 | 0 | 0 | 0 | 113.2 | E107 F147 R151 G210 | E107-P149 WeakPolarHBondContact OE1-CA 3.21Å; E107-P149 VanDerWaalsContact OE1-CB 3.31Å; E107-P149 WeakPolarHBondContact OE1-CB 3.36Å; F147-P149 WeakPolarHBondContact O-CD 3.21Å; P149-R151 PolarHBondContact O-N 3.13Å; P149-G210 WeakPolarHBondContact CB-O 3.47Å |
| 150 | H | 93.4 | Very high | 97.3 | Very high | 129 Ų | 129 | 30.8 Ų | 30.8 | 60% | 0.597 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 8.5 | -178.4 | -47.2 | -42.4 | 0 | 0 | 0 | 115.5 | E107 G210 | E107-H150 VanDerWaalsContact CD-N 3.35Å; E107-H150 PolarHBondContact OE1-N 2.88Å; E107-H150 IonicContact OE1-ND1 3.96Å; E107-H150 WeakPolarHBondContact OE2-CA 3.46Å; E107-H150 PolarHBondContact OE2-N 2.97Å; E107-H150 IonicContact OE2-ND1 3.64Å; H150-G210 PolarHBondContact NE2-O 2.9Å |
| 151 | R | 94.9 | Very high | 97.2 | Very high | 123 Ų | 123 | 27.7 Ų | 27.7 | 46% | 0.464 | 14% | 0.141 | S | C | . | . | trans | -138.9 | 72.3 | -179.2 | -63.2 | -64.6 | -125.9 | -149 | -1.2 | 108.9 | R148 P149 N153 N154 | R148-R151 HydrophobicContact CB-CB 4.21Å; R148-R151 HydrophobicContact CG-CB 4.01Å; R148-R151 HydrophobicContact CG-CG 4.3Å; R148-R151 CarbonylContact O-C 3.48Å; R148-R151 PolarHBondContact O-N 2.87Å; P149-R151 PolarHBondContact O-N 3.13Å; R151-N153 PolarHBondContact O-N 3.38Å; R151-N154 HydrophobicContact CB-CB 3.98Å; R151-N154 PolarHBondContact O-N 3.28Å | ||
| 152 | P | 91.9 | Very high | 97.2 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.8 | -169.5 | 25 | -36 | 0 | 0 | 0 | 115 | T108 | T108-P152 HydrophobicContact CG2-CB 4.28Š|
| 153 | N | 94.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 29 Ų | 29 | 34% | 0.342 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 10.9 | 175.9 | -69.1 | -38.1 | 0 | 0 | 0 | 113.3 | R151 G168 L169 | R151-N153 PolarHBondContact O-N 3.38Å; N153-G168 CarbonylContact O-C 3.57Å; N153-G168 WeakPolarHBondContact O-CA 3.1Å; N153-L169 HydrophobicContact CB-CB 4.34Å; N153-L169 WeakPolarHBondContact O-CG 3.47Å; N153-L169 PolarHBondContact O-N 3.06Å |
| 154 | N | 96.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.7 | 177.3 | -75.7 | 47.6 | 0 | 0 | 0 | 109.5 | F147 R148 R151 W167 L175 S233 | F147-N154 WeakPolarHBondContact CD1-O 3.41Å; R148-N154 HydrophobicContact CB-CB 3.92Å; R148-N154 WeakPolarHBondContact CB-O 3.17Å; R148-N154 PolarHBondContact N-O 3.4Å; R151-N154 HydrophobicContact CB-CB 3.98Å; R151-N154 PolarHBondContact O-N 3.28Å; N154-W167 VanDerWaalsContact CA-O 3.32Å; N154-W167 WeakPolarHBondContact CA-O 3.3Å; N154-L175 VanDerWaalsContact ND2-CD1 3.35Å; N154-L175 WeakPolarHBondContact ND2-CD1 3.41Å; N154-S233 PolarHBondContact ND2-OG 2.9Å |
| 155 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 159.5 | 175.5 | 65.7 | 100.9 | 0 | 0 | 0 | 109.5 | A113 V121 I123 L135 V145 A146 F147 W167 L169 | A113-L155 HydrophobicContact CB-CD2 4.46Å; V121-L155 HydrophobicContact CG1-CD1 4.21Å; I123-L155 HydrophobicContact CD1-CD2 3.45Å; I123-L155 VanDerWaalsContact CD1-CD2 3.45Å; I123-L155 HydrophobicContact CG1-CD2 4.47Å; L135-L155 HydrophobicContact CD1-CD1 4.35Å; L135-L155 HydrophobicContact CD1-CD2 4.41Å; V145-L155 HydrophobicContact CG2-CD1 3.58Å; A146-L155 CarbonylContact O-C 3.56Å; A146-L155 VanDerWaalsContact O-CA 3.24Å; A146-L155 WeakPolarHBondContact O-CA 3.45Å; A146-L155 WeakPolarHBondContact O-CB 3.4Å; F147-L155 HydrophobicContact CD1-CB 3.9Å; F147-L155 HydrophobicContact CD1-CD2 4.37Å; F147-L155 HydrophobicContact CE1-CB 4.21Å; F147-L155 HydrophobicContact CE1-CD2 3.81Å; F147-L155 HydrophobicContact CG-CB 4.26Å; F147-L155 HydrophobicContact CZ-CD2 4.11Å; L155-W167 HydrophobicContact CD1-CB 4.31Å; L155-W167 HydrophobicContact CD1-CG 4.16Å; L155-W167 HydrophobicContact CG-CB 4.13Å; L155-W167 PolarHBondContact N-O 2.93Å; L155-W167 PolarHBondContact O-N 2.9Å; L155-L169 HydrophobicContact CD2-CD2 3.73Å; L155-L169 HydrophobicContact CD2-CG 4.36Å |
| 156 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.4 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 107.6 | V145 A146 V164 I165 L166 V206 V208 L215 | V145-V156 CarbonylContact C-O 3.59Å; V145-V156 WeakPolarHBondContact CA-O 3.43Å; A146-V156 PolarHBondContact N-O 2.96Å; A146-V156 PolarHBondContact O-N 2.84Å; V156-V164 HydrophobicContact CG1-CG1 3.6Å; V156-I165 VanDerWaalsContact CA-O 3.31Å; V156-I165 WeakPolarHBondContact CA-O 3.42Å; V156-L166 HydrophobicContact CG2-CD1 3.58Å; V156-V206 HydrophobicContact CB-CG2 4.18Å; V156-V206 HydrophobicContact CG1-CG2 3.75Å; V156-V208 HydrophobicContact CG2-CG2 4.02Å; V156-L215 HydrophobicContact CG1-CD2 4.33Å; V156-L215 HydrophobicContact CG2-CD2 3.92Å |
| 157 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.2 | 169.6 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | H138 S144 I165 W167 | H138-S157 PolarHBondContact NE2-OG 3.29Å; S144-S157 WeakPolarHBondContact O-CA 3.41Å; S157-I165 PolarHBondContact N-O 3.06Å; S157-I165 PolarHBondContact O-N 3.25Å; S157-W167 PolarHBondContact OG-NE1 3.18Å |
| 158 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.9 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | C142 S143 S144 Q163 V164 A203 V206 | C142-V158 CarbonylContact C-O 3.53Å; C142-V158 PolarHBondContact SG-O 3.44Å; S143-V158 PolarHBondContact N-O 3.47Å; S143-V158 PolarHBondContact OG-O 3.03Å; S144-V158 PolarHBondContact N-O 3.15Å; S144-V158 PolarHBondContact O-N 2.98Å; V158-Q163 WeakPolarHBondContact CA-O 3.38Å; V158-V164 HydrophobicContact CG1-CB 4.06Å; V158-V164 HydrophobicContact CG1-CG1 3.78Å; V158-V164 HydrophobicContact CG1-CG2 3.7Å; V158-A203 HydrophobicContact CB-CB 3.69Å; V158-A203 HydrophobicContact CG2-CB 4.09Å; V158-V206 HydrophobicContact CB-CB 4.43Å; V158-V206 HydrophobicContact CG1-CB 3.65Å; V158-V206 HydrophobicContact CG1-CG1 4.16Å; V158-V206 HydrophobicContact CG1-CG2 3.95Å; V158-V206 HydrophobicContact CG2-CB 3.86Å; V158-V206 HydrophobicContact CG2-CG1 4.05Å |
| 159 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 173.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I141 D161 M162 Q163 A203 | I141-G159 CarbonylContact O-C 3.49Å; I141-G159 WeakPolarHBondContact O-CA 3.3Å; G159-D161 PolarHBondContact O-N 2.82Å; G159-D161 VanDerWaalsContact O-N 3.09Å; G159-M162 PolarHBondContact O-N 2.86Å; G159-Q163 PolarHBondContact N-O 3.26Å; G159-A203 CarbonylContact C-O 3.54Å; G159-A203 WeakPolarHBondContact O-CB 3.35Å; G159-A203 PolarHBondContact O-N 3.22Å |
| 160 | L | 98.3 | Very high | 97 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 6.7 | 177 | -53.9 | -172.3 | 0 | 0 | 0 | 112.9 | N140 I141 M162 L202 | N140-L160 HydrophobicContact CB-CB 4.41Å; N140-L160 PolarHBondContact ND2-O 2.98Å; I141-L160 HydrophobicContact CB-CB 4.44Å; I141-L160 HydrophobicContact CB-CD1 3.92Å; I141-L160 HydrophobicContact CB-CG 4.04Å; I141-L160 HydrophobicContact CD1-CD1 3.98Å; I141-L160 HydrophobicContact CG1-CD1 4.38Å; I141-L160 HydrophobicContact CG2-CD1 4.3Å; I141-L160 HydrophobicContact CG2-CG 4.37Å; I141-L160 PolarHBondContact O-N 3.11Å; L160-M162 VanDerWaalsContact C-N 3.27Å; L160-L202 HydrophobicContact CD2-CB 3.96Å; L160-L202 WeakPolarHBondContact O-CD2 3.39Å |
| 161 | D | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9.5 | 165.6 | 65.3 | -6.7 | 0 | 0 | 0 | 112.6 | H138 T139 N140 G159 Q163 | H138-D161 WeakPolarHBondContact CA-OD2 3.28Å; H138-D161 WeakPolarHBondContact CB-OD2 3.5Å; H138-D161 IonicContact CE1-OD1 3.15Å; H138-D161 IonicContact CG-OD1 2.77Å; H138-D161 IonicContact CG-OD2 3.89Å; H138-D161 IonicContact ND1-OD1 3.3Å; H138-D161 PolarHBondContact ND1-OD1 3.34Å; H138-D161 IonicContact ND1-OD2 3.82Å; H138-D161 PolarHBondContact ND1-OD2 2.84Å; H138-D161 VanDerWaalsContact ND1-OD2 3.08Å; T139-D161 PolarHBondContact N-OD2 3.45Å; T139-D161 WeakPolarHBondContact OG1-CB 3.4Å; N140-D161 HydrophobicContact CB-CB 3.86Å; G159-D161 PolarHBondContact O-N 2.82Å; G159-D161 VanDerWaalsContact O-N 3.09Å; D161-Q163 PolarHBondContact O-N 3.37Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.15Å; D161-Q163 PolarHBondContact OD1-N 2.98Å; D161-Q163 VanDerWaalsContact OD1-N 3.1Å |
| 162 | M | 97.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 64.4 | 15.3 | -179.8 | -50.1 | 164.5 | -75.9 | 0 | 0 | 113.1 | G159 L160 L180 Q181 P200 P201 L202 | G159-M162 PolarHBondContact O-N 2.86Å; L160-M162 VanDerWaalsContact C-N 3.27Å; M162-L180 WeakPolarHBondContact O-CG 3.31Å; M162-L180 PolarHBondContact O-N 2.93Å; M162-Q181 HydrophobicContact SD-CB 4.1Å; M162-P200 HydrophobicContact SD-CB 3.9Å; M162-P201 HydrophobicContact CB-CG 4.48Å; M162-P201 HydrophobicContact CG-CG 4.33Å; M162-P201 HydrophobicContact SD-CG 4.3Å; M162-L202 HydrophobicContact CG-CD2 3.96Å |
| 163 | Q | 98.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.6 | 179.7 | -63 | -173.2 | 27 | 0 | 0 | 112 | H138 V158 G159 D161 I165 T177 L178 | H138-Q163 PolarHBondContact CE1-O 2.79Å; V158-Q163 WeakPolarHBondContact CA-O 3.38Å; G159-Q163 PolarHBondContact N-O 3.26Å; D161-Q163 PolarHBondContact O-N 3.37Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.15Å; D161-Q163 PolarHBondContact OD1-N 2.98Å; D161-Q163 VanDerWaalsContact OD1-N 3.1Å; Q163-I165 HydrophobicContact CB-CD1 4.33Å; Q163-I165 HydrophobicContact CB-CG1 4.08Å; Q163-T177 HydrophobicContact CB-CG2 4.31Å; Q163-T177 HydrophobicContact CG-CG2 4.22Å; Q163-L178 CarbonylContact C-O 3.59Å; Q163-L178 WeakPolarHBondContact CA-O 3.37Å |
| 164 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123 | 162.2 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | V156 V158 W176 T177 L178 L180 L215 C217 M227 | V156-V164 HydrophobicContact CG1-CG1 3.6Å; V158-V164 HydrophobicContact CG1-CB 4.06Å; V158-V164 HydrophobicContact CG1-CG1 3.78Å; V158-V164 HydrophobicContact CG1-CG2 3.7Å; V164-W176 HydrophobicContact CG1-CH2 4.33Å; V164-W176 HydrophobicContact CG1-CZ3 4.17Å; V164-T177 WeakPolarHBondContact O-CA 3.25Å; V164-L178 PolarHBondContact N-O 2.8Å; V164-L178 PolarHBondContact O-N 2.85Å; V164-L180 HydrophobicContact CG2-CD1 4.16Å; V164-L180 HydrophobicContact CG2-CD2 3.85Å; V164-L180 HydrophobicContact CG2-CG 4.04Å; V164-L215 HydrophobicContact CG1-CD1 4.32Å; V164-C217 HydrophobicContact CG2-CB 4.24Å; V164-M227 HydrophobicContact CB-CE 3.69Å; V164-M227 HydrophobicContact CG1-CE 3.55Å; V164-M227 HydrophobicContact CG2-CE 3.5Å; V164-M227 VanDerWaalsContact CG2-CE 3.5Å |
| 165 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.2 | -171.8 | -48.1 | -178.2 | 0 | 0 | 0 | 109.5 | R137 V156 S157 Q163 W167 P174 T177 | R137-I165 HydrophobicContact CB-CD1 3.81Å; R137-I165 HydrophobicContact CG-CD1 3.62Å; V156-I165 VanDerWaalsContact CA-O 3.31Å; V156-I165 WeakPolarHBondContact CA-O 3.42Å; S157-I165 PolarHBondContact N-O 3.06Å; S157-I165 PolarHBondContact O-N 3.25Å; Q163-I165 HydrophobicContact CB-CD1 4.33Å; Q163-I165 HydrophobicContact CB-CG1 4.08Å; I165-W167 HydrophobicContact CB-CZ2 4.09Å; I165-W167 HydrophobicContact CD1-CZ2 3.96Å; I165-W167 HydrophobicContact CG2-CD2 3.87Å; I165-W167 HydrophobicContact CG2-CE3 4.42Å; I165-W167 HydrophobicContact CG2-CG 4.42Å; I165-W167 HydrophobicContact CG2-CH2 4.18Å; I165-W167 HydrophobicContact CG2-CZ2 3.54Å; I165-P174 HydrophobicContact CG2-CB 3.39Å; I165-P174 HydrophobicContact CG2-CG 4.23Å; I165-T177 HydrophobicContact CG1-CG2 4.17Å |
| 166 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.9 | 169.3 | -177.6 | 72.7 | 0 | 0 | 0 | 109.8 | V156 L175 W176 I229 S233 | V156-L166 HydrophobicContact CG2-CD1 3.58Å; L166-L175 HydrophobicContact CB-CB 4.47Å; L166-L175 HydrophobicContact CD2-CB 4.16Å; L166-L175 HydrophobicContact CD2-CD1 3.87Å; L166-L175 HydrophobicContact CG-CB 4.27Å; L166-L175 HydrophobicContact CG-CD1 4Å; L166-L175 WeakPolarHBondContact O-CB 3.48Å; L166-L175 PolarHBondContact O-N 3.19Å; L166-W176 HydrophobicContact CB-CD2 3.72Å; L166-W176 HydrophobicContact CB-CE3 4.18Å; L166-W176 HydrophobicContact CB-CG 4.27Å; L166-W176 HydrophobicContact CB-CH2 3.88Å; L166-W176 HydrophobicContact CB-CZ2 3.4Å; L166-W176 HydrophobicContact CB-CZ3 4.24Å; L166-W176 HydrophobicContact CD2-CZ2 3.88Å; L166-W176 HydrophobicContact CG-CZ2 4.13Å; L166-W176 PolarHBondContact N-O 3.13Å; L166-I229 HydrophobicContact CD1-CD1 4.09Å; L166-I229 HydrophobicContact CD2-CD1 4.33Å; L166-I229 HydrophobicContact CD2-CG2 4.19Å; L166-S233 WeakPolarHBondContact CD2-O 3.45Å |
| 167 | W | 98.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.4 | 179.3 | -53.1 | 92.2 | 0 | 0 | 0 | 111.3 | L135 R137 N154 L155 S157 I165 P174 | L135-W167 HydrophobicContact CB-CD2 4.21Å; L135-W167 HydrophobicContact CB-CE3 4.07Å; L135-W167 HydrophobicContact CB-CH2 3.75Å; L135-W167 HydrophobicContact CB-CZ2 3.95Å; L135-W167 HydrophobicContact CB-CZ3 3.85Å; L135-W167 HydrophobicContact CD1-CB 4.07Å; L135-W167 HydrophobicContact CD1-CD2 3.76Å; L135-W167 HydrophobicContact CD1-CE3 4.07Å; L135-W167 HydrophobicContact CD1-CG 3.76Å; L135-W167 HydrophobicContact CD2-CE3 4.04Å; L135-W167 HydrophobicContact CD2-CZ3 4.27Å; L135-W167 HydrophobicContact CG-CD2 4.4Å; L135-W167 HydrophobicContact CG-CE3 4.29Å; L135-W167 HydrophobicContact CG-CZ3 4.49Å; R137-W167 HydrophobicContact CB-CH2 3.41Å; R137-W167 VanDerWaalsContact CB-CH2 3.41Å; R137-W167 HydrophobicContact CB-CZ2 3.88Å; R137-W167 HydrophobicContact CB-CZ3 4.48Å; R137-W167 HydrophobicContact CG-CH2 4.37Å; N154-W167 VanDerWaalsContact CA-O 3.32Å; N154-W167 WeakPolarHBondContact CA-O 3.3Å; L155-W167 HydrophobicContact CD1-CB 4.31Å; L155-W167 HydrophobicContact CD1-CG 4.16Å; L155-W167 HydrophobicContact CG-CB 4.13Å; L155-W167 PolarHBondContact N-O 2.93Å; L155-W167 PolarHBondContact O-N 2.9Å; S157-W167 PolarHBondContact OG-NE1 3.18Å; I165-W167 HydrophobicContact CB-CZ2 4.09Å; I165-W167 HydrophobicContact CD1-CZ2 3.96Å; I165-W167 HydrophobicContact CG2-CD2 3.87Å; I165-W167 HydrophobicContact CG2-CE3 4.42Å; I165-W167 HydrophobicContact CG2-CG 4.42Å; I165-W167 HydrophobicContact CG2-CH2 4.18Å; I165-W167 HydrophobicContact CG2-CZ2 3.54Å; W167-P174 HydrophobicContact CD2-CB 4.32Å; W167-P174 HydrophobicContact CE3-CB 3.84Å; W167-P174 HydrophobicContact CH2-CB 4.49Å; W167-P174 HydrophobicContact CZ3-CB 3.94Å; W167-P174 HydrophobicContact CZ3-CG 4.28Å |
| 168 | G | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | N153 Q170 K171 | N153-G168 CarbonylContact O-C 3.57Å; N153-G168 WeakPolarHBondContact O-CA 3.1Å; G168-Q170 PolarHBondContact O-N 2.9Å; G168-K171 PolarHBondContact O-N 2.99Å |
| 169 | L | 95.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.4 | -175.1 | -61.1 | -172.1 | 0 | 0 | 0 | 112.8 | I123 R133 L135 F147 N153 L155 K171 | I123-L169 HydrophobicContact CD1-CD2 4.22Å; I123-L169 HydrophobicContact CG1-CD2 3.86Å; I123-L169 HydrophobicContact CG2-CD1 4.16Å; R133-L169 PolarHBondContact NE-O 3.16Å; R133-L169 PolarHBondContact NH1-O 2.85Å; R133-L169 VanDerWaalsContact NH1-O 3.08Å; R133-L169 PolarHBondContact NH2-O 2.97Å; L135-L169 HydrophobicContact CD1-CD2 4.29Å; F147-L169 HydrophobicContact CE1-CD1 4.33Å; N153-L169 HydrophobicContact CB-CB 4.34Å; N153-L169 WeakPolarHBondContact O-CG 3.47Å; N153-L169 PolarHBondContact O-N 3.06Å; L155-L169 HydrophobicContact CD2-CD2 3.73Å; L155-L169 HydrophobicContact CD2-CG 4.36Å; L169-K171 VanDerWaalsContact C-N 3.3Å |
| 170 | Q | 93 | Very high | 96.1 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.4 | 175.2 | -59.3 | -58.2 | -28.8 | 0 | 0 | 113.8 | G168 | G168-Q170 PolarHBondContact O-N 2.9Š|
| 171 | K | 90.9 | Very high | 95.8 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 55% | 0.552 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -116 | 152.3 | -179.4 | -61.5 | -173.8 | -174.2 | 177 | 0 | 110.1 | G168 L169 L175 | G168-K171 PolarHBondContact O-N 2.99Å; L169-K171 VanDerWaalsContact C-N 3.3Å; K171-L175 HydrophobicContact CD-CD2 3.67Å |
| 172 | T | 84.4 | Confident | 95.3 | Very high | 137 Ų | 137 | 49.8 Ų | 49.8 | 84% | 0.84 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -81.1 | -26.5 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 173 | R | 92.8 | Very high | 94.6 | Very high | 199 Ų | 199 | 48.3 Ų | 48.3 | 75% | 0.751 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -103.8 | 152.3 | 179 | -66.4 | -175.8 | -179.5 | -131.7 | -0.1 | 110.4 | ||
| 174 | P | 96.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | trans | -56.8 | 149.5 | 169.9 | 26.2 | -34.6 | 0 | 0 | 0 | 110.4 | I165 W167 W176 | I165-P174 HydrophobicContact CG2-CB 3.39Å; I165-P174 HydrophobicContact CG2-CG 4.23Å; W167-P174 HydrophobicContact CD2-CB 4.32Å; W167-P174 HydrophobicContact CE3-CB 3.84Å; W167-P174 HydrophobicContact CH2-CB 4.49Å; W167-P174 HydrophobicContact CZ3-CB 3.94Å; W167-P174 HydrophobicContact CZ3-CG 4.28Å; P174-W176 VanDerWaalsContact C-N 3.33Å | ||
| 175 | L | 97.2 | Very high | 92.5 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.8 | -39.1 | 175 | -68.6 | 171.2 | 0 | 0 | 0 | 110.6 | N154 L166 K171 | N154-L175 VanDerWaalsContact ND2-CD1 3.35Å; N154-L175 WeakPolarHBondContact ND2-CD1 3.41Å; L166-L175 HydrophobicContact CB-CB 4.47Å; L166-L175 HydrophobicContact CD2-CB 4.16Å; L166-L175 HydrophobicContact CD2-CD1 3.87Å; L166-L175 HydrophobicContact CG-CB 4.27Å; L166-L175 HydrophobicContact CG-CD1 4Å; L166-L175 WeakPolarHBondContact O-CB 3.48Å; L166-L175 PolarHBondContact O-N 3.19Å; K171-L175 HydrophobicContact CD-CD2 3.67Å |
| 176 | W | 97.8 | Very high | 91 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 163 | 167.3 | 48.7 | -99.5 | 0 | 0 | 0 | 110 | V164 L166 P174 L178 L215 I229 S233 L235 | V164-W176 HydrophobicContact CG1-CH2 4.33Å; V164-W176 HydrophobicContact CG1-CZ3 4.17Å; L166-W176 HydrophobicContact CB-CD2 3.72Å; L166-W176 HydrophobicContact CB-CE3 4.18Å; L166-W176 HydrophobicContact CB-CG 4.27Å; L166-W176 HydrophobicContact CB-CH2 3.88Å; L166-W176 HydrophobicContact CB-CZ2 3.4Å; L166-W176 HydrophobicContact CB-CZ3 4.24Å; L166-W176 HydrophobicContact CD2-CZ2 3.88Å; L166-W176 HydrophobicContact CG-CZ2 4.13Å; L166-W176 PolarHBondContact N-O 3.13Å; P174-W176 VanDerWaalsContact C-N 3.33Å; W176-L178 HydrophobicContact CE3-CB 4.37Å; W176-L178 HydrophobicContact CZ3-CB 4.21Å; W176-L215 HydrophobicContact CH2-CD2 4.05Å; W176-L215 HydrophobicContact CZ2-CD2 4.34Å; W176-I229 HydrophobicContact CZ2-CG1 4.17Å; W176-S233 PolarHBondContact NE1-O 2.89Å; W176-S233 VanDerWaalsContact NE1-O 3.07Å; W176-L235 HydrophobicContact CD2-CB 4.26Å; W176-L235 HydrophobicContact CG-CB 4.38Å |
| 177 | T | 97.7 | Very high | 89.4 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.3 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 106.9 | Q163 V164 I165 | Q163-T177 HydrophobicContact CB-CG2 4.31Å; Q163-T177 HydrophobicContact CG-CG2 4.22Å; V164-T177 WeakPolarHBondContact O-CA 3.25Å; I165-T177 HydrophobicContact CG1-CG2 4.17Å |
| 178 | L | 97.7 | Very high | 87.5 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.7 | 173.4 | 178.2 | 64.3 | 0 | 0 | 0 | 108.4 | Q163 V164 W176 L180 A183 M227 L235 | Q163-L178 CarbonylContact C-O 3.59Å; Q163-L178 WeakPolarHBondContact CA-O 3.37Å; V164-L178 PolarHBondContact N-O 2.8Å; V164-L178 PolarHBondContact O-N 2.85Å; W176-L178 HydrophobicContact CE3-CB 4.37Å; W176-L178 HydrophobicContact CZ3-CB 4.21Å; L178-L180 HydrophobicContact CD2-CD2 4.34Å; L178-A183 HydrophobicContact CD1-CB 4.18Å; L178-M227 HydrophobicContact CD2-CE 4.11Å; L178-M227 HydrophobicContact CD2-CG 3.86Å; L178-M227 HydrophobicContact CD2-SD 4.5Å; L178-L235 HydrophobicContact CD1-CD2 4.24Å; L178-L235 HydrophobicContact CD2-CD2 4.28Å |
| 179 | N | 97.2 | Very high | 85.6 | Confident | 42 Ų | 42 | 69 Ų | 69 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.5 | 168.8 | -173.8 | -30.3 | 0 | 0 | 0 | 108.3 | Q181 D182 A183 | N179-Q181 PolarHBondContact O-N 3.09Å; N179-Q181 VanDerWaalsContact OD1-CB 3.22Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.46Å; N179-Q181 PolarHBondContact OD1-N 3.43Å; N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.23Å; N179-D182 PolarHBondContact O-N 3.26Å; N179-A183 PolarHBondContact O-N 3.46Å; N179-A183 VanDerWaalsContact O-N 3.12Å |
| 180 | L | 94.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.7 | -27.5 | -177.4 | -63.1 | -178.2 | 0 | 0 | 0 | 112.6 | M162 V164 L178 A183 A184 P201 A203 A219 H225 M227 | M162-L180 WeakPolarHBondContact O-CG 3.31Å; M162-L180 PolarHBondContact O-N 2.93Å; V164-L180 HydrophobicContact CG2-CD1 4.16Å; V164-L180 HydrophobicContact CG2-CD2 3.85Å; V164-L180 HydrophobicContact CG2-CG 4.04Å; L178-L180 HydrophobicContact CD2-CD2 4.34Å; L180-A183 PolarHBondContact O-N 2.85Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.82Å; L180-P201 HydrophobicContact CB-CB 3.87Å; L180-P201 HydrophobicContact CB-CG 3.76Å; L180-P201 HydrophobicContact CD1-CB 4.46Å; L180-A203 HydrophobicContact CD1-CB 4.07Å; L180-A219 HydrophobicContact CD1-CB 4.32Å; L180-H225 HydrophobicContact CD2-CB 3.84Å; L180-M227 HydrophobicContact CD2-CE 4.29Å |
| 181 | Q | 90.7 | Very high | 81.5 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -51.2 | 175.8 | -177 | 55.2 | 35.4 | 0 | 0 | 110.9 | M162 N179 A183 A184 E185 F198 P201 | M162-Q181 HydrophobicContact SD-CB 4.1Å; N179-Q181 PolarHBondContact O-N 3.09Å; N179-Q181 VanDerWaalsContact OD1-CB 3.22Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.46Å; N179-Q181 PolarHBondContact OD1-N 3.43Å; Q181-A183 VanDerWaalsContact C-N 3.28Å; Q181-A183 PolarHBondContact O-N 2.94Å; Q181-A184 PolarHBondContact O-N 2.79Å; Q181-E185 PolarHBondContact NE2-OE1 2.85Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 2.99Å; Q181-E185 VanDerWaalsContact O-N 3.13Å; Q181-F198 VanDerWaalsContact CD-CZ 3.42Å; Q181-P201 HydrophobicContact CB-CG 4.32Å |
| 182 | D | 88.9 | Confident | 79.7 | Confident | 88 Ų | 88 | 78 Ų | 78 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 178.7 | -57.3 | -20.7 | 0 | 0 | 0 | 110.6 | N179 A184 E185 E186 | N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.23Å; N179-D182 PolarHBondContact O-N 3.26Å; D182-A184 PolarHBondContact O-N 2.95Å; D182-E185 PolarHBondContact O-N 2.81Å; D182-E186 WeakPolarHBondContact O-CG 3.37Å; D182-E186 PolarHBondContact O-N 3.02Å; D182-E186 VanDerWaalsContact O-N 3.11Å |
| 183 | A | 81.8 | Confident | 78 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L178 N179 L180 Q181 A187 | L178-A183 HydrophobicContact CD1-CB 4.18Å; N179-A183 PolarHBondContact O-N 3.46Å; N179-A183 VanDerWaalsContact O-N 3.12Å; L180-A183 PolarHBondContact O-N 2.85Å; Q181-A183 VanDerWaalsContact C-N 3.28Å; Q181-A183 PolarHBondContact O-N 2.94Å; A183-A187 PolarHBondContact O-N 2.9Å |
| 184 | A | 76.9 | Confident | 75.7 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L180 Q181 D182 A187 | L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.82Å; Q181-A184 PolarHBondContact O-N 2.79Å; D182-A184 PolarHBondContact O-N 2.95Å; A184-A187 PolarHBondContact O-N 2.92Å |
| 185 | E | 75.5 | Confident | 73.6 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.6 | -71.5 | 176.1 | -163.2 | 0 | 0 | 112.2 | Q181 D182 A187 G188 | Q181-E185 PolarHBondContact NE2-OE1 2.85Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 2.99Å; Q181-E185 VanDerWaalsContact O-N 3.13Å; D182-E185 PolarHBondContact O-N 2.81Å; E185-A187 PolarHBondContact O-N 3.41Å; E185-G188 PolarHBondContact O-N 3.09Å |
| 186 | E | 68.8 | Low | 71.7 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 71% | 0.71 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.8 | -29.2 | 175.3 | -72.8 | -178.5 | 173.1 | 0 | 0 | 113.2 | D182 G188 Q238 | D182-E186 WeakPolarHBondContact O-CG 3.37Å; D182-E186 PolarHBondContact O-N 3.02Å; D182-E186 VanDerWaalsContact O-N 3.11Å; E186-G188 PolarHBondContact O-N 2.8Å; E186-Q238 PolarHBondContact OE2-NE2 3.26Å |
| 187 | A | 64.6 | Low | 69.6 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A183 A184 E185 | A183-A187 PolarHBondContact O-N 2.9Å; A184-A187 PolarHBondContact O-N 2.92Å; E185-A187 PolarHBondContact O-N 3.41Å |
| 188 | G | 58.5 | Low | 68.2 | Low | 56 Ų | 56 | 94.5 Ų | 94.5 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 14.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E185 E186 Q190 | E185-G188 PolarHBondContact O-N 3.09Å; E186-G188 PolarHBondContact O-N 2.8Å; G188-Q190 PolarHBondContact O-N 3.1Å |
| 189 | D | 57.3 | Low | 67.3 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | trans | -68 | 10.4 | 176.4 | -87.8 | -61.8 | 0 | 0 | 0 | 115 | Q191 R223 | D189-Q191 PolarHBondContact O-N 2.96Å; D189-R223 IonicContact OD1-CZ 2.74Å; D189-R223 IonicContact OD1-NH2 3.1Å; D189-R223 PolarHBondContact OD1-NH2 3.31Å; D189-R223 IonicContact OD2-CZ 3.09Å; D189-R223 IonicContact OD2-NH1 3.05Å; D189-R223 PolarHBondContact OD2-NH1 3.2Å; D189-R223 IonicContact OD2-NH2 3.03Å; D189-R223 PolarHBondContact OD2-NH2 3.45Å | ||
| 190 | Q | 51.2 | Low | 67 | Low | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | trans | -76.6 | 45.4 | 178 | -65.8 | -164.6 | 1.8 | 0 | 0 | 113.9 | G188 Q192 | G188-Q190 PolarHBondContact O-N 3.1Å; Q190-Q192 PolarHBondContact O-N 3.09Å | ||
| 191 | Q | 49.9 | Very low | 66.9 | Low | 175 Ų | 175 | 97.2 Ų | 97.2 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | trans | -86.2 | 67.3 | 153.4 | -75.2 | 175.5 | 3.7 | 0 | 0 | 108.4 | D189 R193 | D189-Q191 PolarHBondContact O-N 2.96Å; Q191-R193 PolarHBondContact O-N 3.06Å | ||
| 192 | Q | 53.1 | Low | 67.2 | Low | 164 Ų | 164 | 98 Ų | 98 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | trans | -63.2 | 97.1 | 172.8 | -71.4 | -175 | -7.7 | 0 | 0 | 108.9 | Q190 | Q190-Q192 PolarHBondContact O-N 3.09Š| ||
| 193 | R | 49.4 | Very low | 67.7 | Low | 183 Ų | 183 | 93.8 Ų | 93.8 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | trans | -78.2 | 129 | 168.5 | -70.2 | -168.1 | -73.3 | -164.8 | -4.5 | 108.6 | Q191 G195 Q196 | Q191-R193 PolarHBondContact O-N 3.06Å; R193-G195 PolarHBondContact O-N 2.85Å; R193-Q196 PolarHBondContact O-N 3.37Å | ||
| 194 | P | 43.6 | Very low | 68.4 | Low | 141 Ų | 141 | 95.9 Ų | 95.9 | 92% | 0.916 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 124.7 | 175.6 | -21.7 | 30.6 | 0 | 0 | 0 | 110.6 | ||
| 195 | G | 54.1 | Low | 69.5 | Low | 83 Ų | 83 | 95.2 Ų | 95.2 | 86% | 0.856 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | 1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R193 | R193-G195 PolarHBondContact O-N 2.85Š|
| 196 | Q | 56.7 | Low | 70.6 | Confident | 136 Ų | 136 | 91.1 Ų | 91.1 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 121.8 | 175.1 | -161.7 | 165.4 | -19.8 | 0 | 0 | 110.7 | R193 F198 | R193-Q196 PolarHBondContact O-N 3.37Å; Q196-F198 PolarHBondContact O-N 3.25Å |
| 197 | L | 54.5 | Low | 72 | Confident | 171 Ų | 171 | 84.6 Ų | 84.6 | 90% | 0.895 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 124.7 | 170.6 | -82.4 | 156.5 | 0 | 0 | 0 | 108.8 | N199 | L197-N199 PolarHBondContact O-N 3.46Š|
| 198 | F | 66.4 | Low | 73.6 | Confident | 137 Ų | 137 | 81.7 Ų | 81.7 | 60% | 0.601 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 116 | 177.1 | 176.7 | -98.9 | 0 | 0 | 0 | 109.1 | Q181 Q196 P200 | Q181-F198 VanDerWaalsContact CD-CZ 3.42Å; Q196-F198 PolarHBondContact O-N 3.25Å; F198-P200 HydrophobicContact CD1-CB 4.32Å; F198-P200 HydrophobicContact CE1-CB 3.73Å; F198-P200 HydrophobicContact CE1-CG 4.38Å; F198-P200 HydrophobicContact CZ-CB 4.49Å; F198-P200 WeakPolarHBondContact O-CD 3.04Å |
| 199 | N | 80.3 | Confident | 75.4 | Confident | 82 Ų | 82 | 79 Ų | 79 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -97.8 | 104.7 | 169.8 | -155.1 | 16.5 | 0 | 0 | 0 | 108.4 | L197 E220 | L197-N199 PolarHBondContact O-N 3.46Å; N199-E220 PolarHBondContact ND2-O 3.41Å | ||
| 200 | P | 89.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 76 Ų | 76 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | trans | -61.9 | 148.3 | -179.5 | 21.7 | -29.2 | 0 | 0 | 0 | 110.9 | M162 F198 L202 | M162-P200 HydrophobicContact SD-CB 3.9Å; F198-P200 HydrophobicContact CD1-CB 4.32Å; F198-P200 HydrophobicContact CE1-CB 3.73Å; F198-P200 HydrophobicContact CE1-CG 4.38Å; F198-P200 HydrophobicContact CZ-CB 4.49Å; F198-P200 WeakPolarHBondContact O-CD 3.04Å; P200-L202 HydrophobicContact CB-CD2 4.11Å; P200-L202 HydrophobicContact CB-CG 4.29Å; P200-L202 HydrophobicContact CG-CD1 4.44Å; P200-L202 HydrophobicContact CG-CD2 4.07Å; P200-L202 HydrophobicContact CG-CG 4.01Å; P200-L202 PolarHBondContact O-N 3.46Å | ||
| 201 | P | 93.8 | Very high | 79.1 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | trans | -77.6 | 61.2 | 176.5 | 33.8 | -36.4 | 0 | 0 | 0 | 111.1 | M162 L180 Q181 A203 A219 D221 | M162-P201 HydrophobicContact CB-CG 4.48Å; M162-P201 HydrophobicContact CG-CG 4.33Å; M162-P201 HydrophobicContact SD-CG 4.3Å; L180-P201 HydrophobicContact CB-CB 3.87Å; L180-P201 HydrophobicContact CB-CG 3.76Å; L180-P201 HydrophobicContact CD1-CB 4.46Å; Q181-P201 HydrophobicContact CB-CG 4.32Å; P201-A203 PolarHBondContact O-N 3.03Å; P201-A219 HydrophobicContact CB-CB 4.2Å; P201-D221 HydrophobicContact CB-CB 4.25Å | ||
| 202 | L | 97 | Very high | 81.3 | Confident | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | trans | -61.9 | 124.2 | 173.7 | -52.3 | 179.4 | 0 | 0 | 0 | 108.3 | L160 M162 P200 A219 E220 | L160-L202 HydrophobicContact CD2-CB 3.96Å; L160-L202 WeakPolarHBondContact O-CD2 3.39Å; M162-L202 HydrophobicContact CG-CD2 3.96Å; P200-L202 HydrophobicContact CB-CD2 4.11Å; P200-L202 HydrophobicContact CB-CG 4.29Å; P200-L202 HydrophobicContact CG-CD1 4.44Å; P200-L202 HydrophobicContact CG-CD2 4.07Å; P200-L202 HydrophobicContact CG-CG 4.01Å; P200-L202 PolarHBondContact O-N 3.46Å; L202-A219 CarbonylContact O-C 3.54Å; L202-A219 WeakPolarHBondContact O-CA 3.46Å; L202-A219 WeakPolarHBondContact O-CB 3.34Å; L202-E220 HydrophobicContact CB-CB 3.92Å; L202-E220 HydrophobicContact CG-CB 4.33Å; L202-E220 PolarHBondContact O-N 2.93Å | ||
| 203 | A | 98.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S143 V158 G159 L180 P201 C217 | S143-A203 WeakPolarHBondContact CB-O 3.29Å; S143-A203 PolarHBondContact OG-O 2.94Å; V158-A203 HydrophobicContact CB-CB 3.69Å; V158-A203 HydrophobicContact CG2-CB 4.09Å; G159-A203 CarbonylContact C-O 3.54Å; G159-A203 WeakPolarHBondContact O-CB 3.35Å; G159-A203 PolarHBondContact O-N 3.22Å; L180-A203 HydrophobicContact CD1-CB 4.07Å; P201-A203 PolarHBondContact O-N 3.03Å; A203-C217 WeakPolarHBondContact CB-SG 3.36Å |
| 204 | H | 98.3 | Very high | 85.6 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -42 | -174.9 | -69.8 | -57.1 | 0 | 0 | 0 | 113.3 | S143 S144 A218 E220 | S143-H204 PolarHBondContact OG-O 3.38Å; S144-H204 WeakPolarHBondContact CB-O 3.2Å; H204-A218 PolarHBondContact N-O 3.36Å; H204-E220 IonicContact CD2-OE2 2.62Å; H204-E220 IonicContact CE1-OE2 3.98Å; H204-E220 IonicContact NE2-OE2 3.73Å; H204-E220 PolarHBondContact NE2-OE2 3.25Å |
| 205 | C | 98.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.8 | -174.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | C217 A218 S249 Q250 H252 | C205-C217 CarbonylContact O-C 3.58Å; C205-C217 VanDerWaalsContact O-CA 3.28Å; C205-C217 WeakPolarHBondContact O-CA 3.42Å; C205-A218 HydrophobicContact CB-CB 4.17Å; C205-A218 PolarHBondContact O-N 3.09Å; C205-S249 WeakPolarHBondContact CB-O 3.15Å; C205-Q250 PolarHBondContact SG-OE1 3.15Å; C205-H252 VanDerWaalsContact SG-CE1 3.58Å |
| 206 | V | 98.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.4 | 171.1 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | S144 A146 V156 V158 L215 G216 | S144-V206 PolarHBondContact OG-N 2.8Å; A146-V206 HydrophobicContact CB-CG1 4.06Å; V156-V206 HydrophobicContact CB-CG2 4.18Å; V156-V206 HydrophobicContact CG1-CG2 3.75Å; V158-V206 HydrophobicContact CB-CB 4.43Å; V158-V206 HydrophobicContact CG1-CB 3.65Å; V158-V206 HydrophobicContact CG1-CG1 4.16Å; V158-V206 HydrophobicContact CG1-CG2 3.95Å; V158-V206 HydrophobicContact CG2-CB 3.86Å; V158-V206 HydrophobicContact CG2-CG1 4.05Å; V206-L215 HydrophobicContact CG2-CD1 4.28Å; V206-G216 WeakPolarHBondContact CA-O 3.47Å |
| 207 | S | 98.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.3 | 173 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | L215 G216 A251 F253 | S207-L215 CarbonylContact O-C 3.56Å; S207-L215 VanDerWaalsContact O-CA 3.23Å; S207-L215 WeakPolarHBondContact O-CA 3.49Å; S207-L215 WeakPolarHBondContact O-CB 3.47Å; S207-G216 PolarHBondContact N-O 3.07Å; S207-G216 PolarHBondContact O-N 3.22Å; S207-A251 WeakPolarHBondContact CB-O 3.38Å; S207-F253 WeakPolarHBondContact O-CE2 3.26Å; S207-F253 PolarHBondContact OG-N 3.02Å; S207-F253 VanDerWaalsContact OG-N 3.09Å |
| 208 | V | 97.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.2 | 175.6 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | A146 R148 V156 V214 L215 | A146-V208 HydrophobicContact CB-CG2 4.24Å; R148-V208 HydrophobicContact CG-CG1 4.34Å; V156-V208 HydrophobicContact CG2-CG2 4.02Å; V208-V214 WeakPolarHBondContact CG1-O 3.48Å; V208-L215 HydrophobicContact CB-CB 4.49Å; V208-L215 HydrophobicContact CG1-CB 4.45Å; V208-L215 HydrophobicContact CG2-CB 4.12Å |
| 209 | S | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -57.3 | 148.6 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | C211 G212 V214 F253 P260 | S209-C211 PolarHBondContact O-N 3.2Å; S209-G212 WeakPolarHBondContact O-CA 3.34Å; S209-G212 PolarHBondContact O-N 2.86Å; S209-V214 VanDerWaalsContact CB-O 3.31Å; S209-V214 WeakPolarHBondContact CB-O 3.27Å; S209-V214 PolarHBondContact N-O 3.13Å; S209-F253 VanDerWaalsContact N-CD2 3.27Å; S209-P260 PolarHBondContact OG-O 3.07Å | ||
| 210 | G | 93.8 | Very high | 96.6 | Very high | 25 Ų | 25 | 17 Ų | 17 | 26% | 0.258 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P149 H150 G212 | P149-G210 WeakPolarHBondContact CB-O 3.47Å; H150-G210 PolarHBondContact NE2-O 2.9Å; G210-G212 PolarHBondContact O-N 3.13Å |
| 211 | C | 93.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 16.6 Ų | 16.6 | 29% | 0.291 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.2 | 173.4 | 71.3 | 0 | 0 | 0 | 0 | 113.9 | S209 N213 P260 | S209-C211 PolarHBondContact O-N 3.2Å; C211-N213 PolarHBondContact O-N 3.44Å; C211-N213 PolarHBondContact SG-N 3.04Å; C211-P260 HydrophobicContact CB-CG 4.31Å |
| 212 | G | 95.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 74.6 | -0.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R148 S209 G210 | R148-G212 PolarHBondContact NE-O 3.25Å; R148-G212 PolarHBondContact NH2-O 2.8Å; S209-G212 WeakPolarHBondContact O-CA 3.34Å; S209-G212 PolarHBondContact O-N 2.86Å; G210-G212 PolarHBondContact O-N 3.13Å |
| 213 | N | 95.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 16.6 Ų | 16.6 | 36% | 0.364 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -109.5 | -4.5 | -173.9 | -65.2 | -19.9 | 0 | 0 | 0 | 114 | R148 C211 R228 I229 | R148-N213 PolarHBondContact NH2-OD1 2.98Å; C211-N213 PolarHBondContact O-N 3.44Å; C211-N213 PolarHBondContact SG-N 3.04Å; N213-R228 CarbonylContact O-C 3.59Å; N213-R228 WeakPolarHBondContact O-CA 3.35Å; N213-R228 WeakPolarHBondContact O-CG 3.05Å; N213-I229 PolarHBondContact O-N 3.31Å |
| 214 | V | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.9 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | V208 S209 M227 F253 V283 | V208-V214 WeakPolarHBondContact CG1-O 3.48Å; S209-V214 VanDerWaalsContact CB-O 3.31Å; S209-V214 WeakPolarHBondContact CB-O 3.27Å; S209-V214 PolarHBondContact N-O 3.13Å; V214-M227 WeakPolarHBondContact CA-O 3.36Å; V214-F253 HydrophobicContact CG1-CE1 4.24Å; V214-F253 HydrophobicContact CG1-CZ 3.72Å; V214-V283 HydrophobicContact CG1-CG2 3.94Å; V214-V283 HydrophobicContact CG2-CG1 4.37Å; V214-V283 HydrophobicContact CG2-CG2 4.36Å |
| 215 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.5 | 170.7 | 71.5 | 93.5 | 0 | 0 | 0 | 110.3 | V156 V164 W176 V206 S207 V208 L226 M227 I229 | V156-L215 HydrophobicContact CG1-CD2 4.33Å; V156-L215 HydrophobicContact CG2-CD2 3.92Å; V164-L215 HydrophobicContact CG1-CD1 4.32Å; W176-L215 HydrophobicContact CH2-CD2 4.05Å; W176-L215 HydrophobicContact CZ2-CD2 4.34Å; V206-L215 HydrophobicContact CG2-CD1 4.28Å; S207-L215 CarbonylContact O-C 3.56Å; S207-L215 VanDerWaalsContact O-CA 3.23Å; S207-L215 WeakPolarHBondContact O-CA 3.49Å; S207-L215 WeakPolarHBondContact O-CB 3.47Å; V208-L215 HydrophobicContact CB-CB 4.49Å; V208-L215 HydrophobicContact CG1-CB 4.45Å; V208-L215 HydrophobicContact CG2-CB 4.12Å; L215-L226 WeakPolarHBondContact O-CA 3.45Å; L215-M227 HydrophobicContact CD1-CB 4.05Å; L215-M227 HydrophobicContact CD1-CE 3.46Å; L215-M227 VanDerWaalsContact CD1-CE 3.46Å; L215-M227 HydrophobicContact CD1-CG 4.37Å; L215-M227 HydrophobicContact CD1-SD 3.71Å; L215-M227 HydrophobicContact CD2-CB 4.29Å; L215-M227 HydrophobicContact CG-CB 3.96Å; L215-M227 PolarHBondContact N-O 3.25Å; L215-M227 PolarHBondContact O-N 3.37Å; L215-I229 HydrophobicContact CD2-CD1 3.79Å; L215-I229 HydrophobicContact CD2-CG1 3.99Å |
| 216 | G | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V206 S207 H225 | V206-G216 WeakPolarHBondContact CA-O 3.47Å; S207-G216 PolarHBondContact N-O 3.07Å; S207-G216 PolarHBondContact O-N 3.22Å; G216-H225 CarbonylContact C-O 3.56Å; G216-H225 VanDerWaalsContact CA-O 3.28Å; G216-H225 WeakPolarHBondContact CA-O 3.45Å |
| 217 | C | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 112.9 | 179.3 | 180 | 0 | 0 | 0 | 0 | 109.2 | V164 A203 C205 V224 H225 M227 | V164-C217 HydrophobicContact CG2-CB 4.24Å; A203-C217 WeakPolarHBondContact CB-SG 3.36Å; C205-C217 CarbonylContact O-C 3.58Å; C205-C217 VanDerWaalsContact O-CA 3.28Å; C205-C217 WeakPolarHBondContact O-CA 3.42Å; C217-V224 CarbonylContact O-C 3.56Å; C217-V224 VanDerWaalsContact O-CA 3.32Å; C217-V224 WeakPolarHBondContact O-CA 3.46Å; C217-H225 HydrophobicContact CB-CB 4.32Å; C217-H225 PolarHBondContact N-O 2.57Å; C217-H225 PolarHBondContact O-N 2.94Å; C217-M227 HydrophobicContact CB-CE 4.12Å |
| 218 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | H204 C205 V224 A248 A251 | H204-A218 PolarHBondContact N-O 3.36Å; C205-A218 HydrophobicContact CB-CB 4.17Å; C205-A218 PolarHBondContact O-N 3.09Å; A218-V224 HydrophobicContact CB-CG2 4.47Å; A218-A248 CarbonylContact C-O 3.53Å; A218-A248 HydrophobicContact CB-CB 4.05Å; A218-A248 WeakPolarHBondContact CB-O 3.32Å; A218-A251 HydrophobicContact CB-CB 3.87Å |
| 219 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L180 P201 L202 D221 G222 R223 A248 | L180-A219 HydrophobicContact CD1-CB 4.32Å; P201-A219 HydrophobicContact CB-CB 4.2Å; L202-A219 CarbonylContact O-C 3.54Å; L202-A219 WeakPolarHBondContact O-CA 3.46Å; L202-A219 WeakPolarHBondContact O-CB 3.34Å; A219-D221 WeakPolarHBondContact CB-OD1 3.5Å; A219-D221 PolarHBondContact O-N 3.22Å; A219-D221 VanDerWaalsContact O-N 3.17Å; A219-G222 PolarHBondContact O-N 3.47Å; A219-R223 PolarHBondContact N-O 2.92Å; A219-A248 PolarHBondContact N-O 2.91Å; A219-A248 PolarHBondContact O-N 2.91Å |
| 220 | E | 96.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 16.1 Ų | 16.1 | 19% | 0.187 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21 | -177.1 | -170.5 | 57.3 | -134.5 | 0 | 0 | 113.3 | N199 L202 H204 G222 G247 | N199-E220 PolarHBondContact ND2-O 3.41Å; L202-E220 HydrophobicContact CB-CB 3.92Å; L202-E220 HydrophobicContact CG-CB 4.33Å; L202-E220 PolarHBondContact O-N 2.93Å; H204-E220 IonicContact CD2-OE2 2.62Å; H204-E220 IonicContact CE1-OE2 3.98Å; H204-E220 IonicContact NE2-OE2 3.73Å; H204-E220 PolarHBondContact NE2-OE2 3.25Å; E220-G222 PolarHBondContact O-N 2.93Å; E220-G247 WeakPolarHBondContact O-CA 3.31Å |
| 221 | D | 93.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 17.7 Ų | 17.7 | 13% | 0.128 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -1.4 | 171.6 | 69.3 | -5 | 0 | 0 | 0 | 113.8 | P201 A219 R223 H225 K242 | P201-D221 HydrophobicContact CB-CB 4.25Å; A219-D221 WeakPolarHBondContact CB-OD1 3.5Å; A219-D221 PolarHBondContact O-N 3.22Å; A219-D221 VanDerWaalsContact O-N 3.17Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 PolarHBondContact OD1-N 3.38Å; D221-R223 WeakPolarHBondContact OD2-CD 3.46Å; D221-H225 IonicContact OD1-NE2 3.59Å; D221-H225 IonicContact OD2-CE1 2.92Å; D221-H225 IonicContact OD2-NE2 3.08Å; D221-H225 PolarHBondContact OD2-NE2 3.21Å; D221-K242 PolarHBondContact O-NZ 3.14Å |
| 222 | G | 94.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 79 | 13.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | A219 E220 A243 H244 Q246 | A219-G222 PolarHBondContact O-N 3.47Å; E220-G222 PolarHBondContact O-N 2.93Å; G222-A243 PolarHBondContact O-N 2.91Å; G222-H244 PolarHBondContact O-N 2.83Å; G222-Q246 WeakPolarHBondContact CA-O 3.34Å |
| 223 | R | 96.1 | Very high | 96 | Very high | 50 Ų | 50 | 19.1 Ų | 19.1 | 19% | 0.189 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 157.6 | 177.9 | -60.9 | -179.7 | 172.9 | -174.8 | -5.6 | 110.9 | D189 A219 D221 A240 I241 K242 | D189-R223 IonicContact OD1-CZ 2.74Å; D189-R223 IonicContact OD1-NH2 3.1Å; D189-R223 PolarHBondContact OD1-NH2 3.31Å; D189-R223 IonicContact OD2-CZ 3.09Å; D189-R223 IonicContact OD2-NH1 3.05Å; D189-R223 PolarHBondContact OD2-NH1 3.2Å; D189-R223 IonicContact OD2-NH2 3.03Å; D189-R223 PolarHBondContact OD2-NH2 3.45Å; A219-R223 PolarHBondContact N-O 2.92Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 PolarHBondContact OD1-N 3.38Å; D221-R223 WeakPolarHBondContact OD2-CD 3.46Å; R223-A240 HydrophobicContact CB-CB 4.39Å; R223-I241 VanDerWaalsContact CA-O 3.23Å; R223-I241 WeakPolarHBondContact CA-O 3.32Å; R223-I241 WeakPolarHBondContact CB-O 3.38Å; R223-K242 HydrophobicContact CG-CD 3.9Å |
| 224 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.7 | 159.3 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | C217 A218 L226 A240 I241 A243 A248 A251 M263 T265 | C217-V224 CarbonylContact O-C 3.56Å; C217-V224 VanDerWaalsContact O-CA 3.32Å; C217-V224 WeakPolarHBondContact O-CA 3.46Å; A218-V224 HydrophobicContact CB-CG2 4.47Å; V224-L226 HydrophobicContact CG1-CD2 4.2Å; V224-A240 WeakPolarHBondContact O-CA 3.33Å; V224-I241 HydrophobicContact CB-CD1 4.32Å; V224-I241 HydrophobicContact CB-CG1 3.89Å; V224-I241 PolarHBondContact N-O 2.82Å; V224-I241 PolarHBondContact O-N 3.08Å; V224-A243 HydrophobicContact CG2-CB 4.02Å; V224-A248 HydrophobicContact CG2-CB 4.5Å; V224-A251 HydrophobicContact CG1-CB 3.94Å; V224-A251 HydrophobicContact CG2-CB 3.91Å; V224-M263 HydrophobicContact CB-CE 3.99Å; V224-M263 HydrophobicContact CG1-CE 3.65Å; V224-M263 HydrophobicContact CG1-SD 3.87Å; V224-M263 HydrophobicContact CG2-CE 4.27Å; V224-T265 HydrophobicContact CG2-CG2 3.7Å |
| 225 | H | 97.3 | Very high | 96 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.7 | 176.2 | -67.3 | -98.3 | 0 | 0 | 0 | 108.8 | L180 G216 C217 D221 M227 G239 | L180-H225 HydrophobicContact CD2-CB 3.84Å; G216-H225 CarbonylContact C-O 3.56Å; G216-H225 VanDerWaalsContact CA-O 3.28Å; G216-H225 WeakPolarHBondContact CA-O 3.45Å; C217-H225 HydrophobicContact CB-CB 4.32Å; C217-H225 PolarHBondContact N-O 2.57Å; C217-H225 PolarHBondContact O-N 2.94Å; D221-H225 IonicContact OD1-NE2 3.59Å; D221-H225 IonicContact OD2-CE1 2.92Å; D221-H225 IonicContact OD2-NE2 3.08Å; D221-H225 PolarHBondContact OD2-NE2 3.21Å; H225-M227 HydrophobicContact CB-SD 4.13Å; H225-G239 CarbonylContact C-O 3.45Å |
| 226 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.8 | -176.3 | -63.1 | 177.4 | 0 | 0 | 0 | 109.7 | L215 V224 Q238 G239 I241 F253 M263 L277 V282 | L215-L226 WeakPolarHBondContact O-CA 3.45Å; V224-L226 HydrophobicContact CG1-CD2 4.2Å; L226-Q238 CarbonylContact O-C 3.56Å; L226-Q238 VanDerWaalsContact O-CA 3.29Å; L226-Q238 WeakPolarHBondContact O-CA 3.32Å; L226-G239 PolarHBondContact N-O 3.22Å; L226-G239 PolarHBondContact O-N 3.32Å; L226-I241 HydrophobicContact CD1-CG2 4.12Å; L226-F253 HydrophobicContact CD2-CZ 4.48Å; L226-M263 HydrophobicContact CD2-CE 4.38Å; L226-M263 HydrophobicContact CD2-SD 4.35Å; L226-L277 HydrophobicContact CD1-CD1 4.04Å; L226-L277 HydrophobicContact CD1-CD2 4.34Å; L226-L277 HydrophobicContact CD2-CD1 3.96Å; L226-V282 HydrophobicContact CB-CB 4.32Å; L226-V282 HydrophobicContact CB-CG1 4.08Å |
| 227 | M | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.7 | -179.8 | -59.9 | 79.7 | 108.4 | 0 | 0 | 110.7 | V164 L178 L180 V214 L215 C217 H225 L235 Q237 Q238 | V164-M227 HydrophobicContact CB-CE 3.69Å; V164-M227 HydrophobicContact CG1-CE 3.55Å; V164-M227 HydrophobicContact CG2-CE 3.5Å; V164-M227 VanDerWaalsContact CG2-CE 3.5Å; L178-M227 HydrophobicContact CD2-CE 4.11Å; L178-M227 HydrophobicContact CD2-CG 3.86Å; L178-M227 HydrophobicContact CD2-SD 4.5Å; L180-M227 HydrophobicContact CD2-CE 4.29Å; V214-M227 WeakPolarHBondContact CA-O 3.36Å; L215-M227 HydrophobicContact CD1-CB 4.05Å; L215-M227 HydrophobicContact CD1-CE 3.46Å; L215-M227 VanDerWaalsContact CD1-CE 3.46Å; L215-M227 HydrophobicContact CD1-CG 4.37Å; L215-M227 HydrophobicContact CD1-SD 3.71Å; L215-M227 HydrophobicContact CD2-CB 4.29Å; L215-M227 HydrophobicContact CG-CB 3.96Å; L215-M227 PolarHBondContact N-O 3.25Å; L215-M227 PolarHBondContact O-N 3.37Å; C217-M227 HydrophobicContact CB-CE 4.12Å; H225-M227 HydrophobicContact CB-SD 4.13Å; M227-L235 HydrophobicContact CB-CD1 3.77Å; M227-L235 HydrophobicContact CG-CD1 4.13Å; M227-Q237 WeakPolarHBondContact CA-O 3.49Å; M227-Q238 HydrophobicContact CG-CB 4.31Å |
| 228 | R | 97.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.5 | 175 | -163.4 | 178.3 | -134.5 | -121 | 1.4 | 110.5 | N213 E236 Q237 V282 V283 | N213-R228 CarbonylContact O-C 3.59Å; N213-R228 WeakPolarHBondContact O-CA 3.35Å; N213-R228 WeakPolarHBondContact O-CG 3.05Å; R228-E236 HydrophobicContact CB-CB 4.5Å; R228-E236 IonicContact NH1-OE2 3.98Å; R228-E236 PolarHBondContact O-N 3.1Å; R228-Q237 HydrophobicContact CB-CB 3.95Å; R228-Q237 PolarHBondContact N-O 2.9Å; R228-V282 HydrophobicContact CB-CG1 4.06Å; R228-V282 WeakPolarHBondContact CD-O 3.47Å; R228-V282 PolarHBondContact NE-O 2.97Å; R228-V283 PolarHBondContact NE-O 2.83Å; R228-V283 PolarHBondContact NH2-O 3Å |
| 229 | I | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.8 | 172.5 | -53.7 | 170.3 | 0 | 0 | 0 | 108.9 | L166 W176 N213 L215 | L166-I229 HydrophobicContact CD1-CD1 4.09Å; L166-I229 HydrophobicContact CD2-CD1 4.33Å; L166-I229 HydrophobicContact CD2-CG2 4.19Å; W176-I229 HydrophobicContact CZ2-CG1 4.17Å; N213-I229 PolarHBondContact O-N 3.31Å; L215-I229 HydrophobicContact CD2-CD1 3.79Å; L215-I229 HydrophobicContact CD2-CG1 3.99Å |
| 230 | G | 93.6 | Very high | 95 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | trans | -86.9 | -169.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G232 S233 K234 E236 | G230-G232 PolarHBondContact O-N 3.26Å; G230-S233 PolarHBondContact O-N 2.91Å; G230-K234 PolarHBondContact N-O 3.14Å; G230-E236 WeakPolarHBondContact CA-OE1 3.14Å | ||
| 231 | G | 90.9 | Very high | 95 | Very high | 57 Ų | 57 | 39 Ų | 39 | 59% | 0.588 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -52.8 | 132.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | S233 E236 | G231-S233 PolarHBondContact O-N 3.06Å; G231-E236 PolarHBondContact N-OE1 3.42Å |
| 232 | G | 89.5 | Confident | 95 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | 68.2 | 16.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G230 K234 | G230-G232 PolarHBondContact O-N 3.26Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.23Å |
| 233 | S | 93.8 | Very high | 95 | Very high | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | 65.8 | 31.2 | 179.5 | -54.9 | 0 | 0 | 0 | 0 | 114.5 | R148 N154 L166 W176 G230 G231 | R148-S233 PolarHBondContact NH1-OG 3.5Å; N154-S233 PolarHBondContact ND2-OG 2.9Å; L166-S233 WeakPolarHBondContact CD2-O 3.45Å; W176-S233 PolarHBondContact NE1-O 2.89Å; W176-S233 VanDerWaalsContact NE1-O 3.07Å; G230-S233 PolarHBondContact O-N 2.91Å; G231-S233 PolarHBondContact O-N 3.06Å |
| 234 | K | 95.6 | Very high | 95 | Very high | 150 Ų | 150 | 41.8 Ų | 41.8 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | trans | -84.9 | 151.1 | 172.9 | -63.9 | -178.7 | 179.2 | -179.1 | 0 | 110.7 | G230 G232 E236 | G230-K234 PolarHBondContact N-O 3.14Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.23Å; K234-E236 PolarHBondContact O-N 3.42Å | ||
| 235 | L | 96.4 | Very high | 94.9 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 118.8 | 167.2 | -179.1 | 62.4 | 0 | 0 | 0 | 108.5 | W176 L178 M227 Q237 | W176-L235 HydrophobicContact CD2-CB 4.26Å; W176-L235 HydrophobicContact CG-CB 4.38Å; L178-L235 HydrophobicContact CD1-CD2 4.24Å; L178-L235 HydrophobicContact CD2-CD2 4.28Å; M227-L235 HydrophobicContact CB-CD1 3.77Å; M227-L235 HydrophobicContact CG-CD1 4.13Å; L235-Q237 WeakPolarHBondContact CD1-O 3.47Å |
| 236 | E | 94.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -41.4 | -178.6 | -91.9 | 178.9 | -169 | 0 | 0 | 112.6 | R228 G230 G231 K234 | R228-E236 HydrophobicContact CB-CB 4.5Å; R228-E236 IonicContact NH1-OE2 3.98Å; R228-E236 PolarHBondContact O-N 3.1Å; G230-E236 WeakPolarHBondContact CA-OE1 3.14Å; G231-E236 PolarHBondContact N-OE1 3.42Å; K234-E236 PolarHBondContact O-N 3.42Å |
| 237 | Q | 93.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.1 | -176.1 | -66.4 | -65.5 | -56.9 | 0 | 0 | 109.4 | M227 R228 L235 V282 | M227-Q237 WeakPolarHBondContact CA-O 3.49Å; R228-Q237 HydrophobicContact CB-CB 3.95Å; R228-Q237 PolarHBondContact N-O 2.9Å; L235-Q237 WeakPolarHBondContact CD1-O 3.47Å; Q237-V282 HydrophobicContact CB-CG1 4.28Å |
| 238 | Q | 94.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.5 | 172.2 | 71.1 | -171.3 | 16.3 | 0 | 0 | 110.1 | E186 L226 M227 V282 | E186-Q238 PolarHBondContact OE2-NE2 3.26Å; L226-Q238 CarbonylContact O-C 3.56Å; L226-Q238 VanDerWaalsContact O-CA 3.29Å; L226-Q238 WeakPolarHBondContact O-CA 3.32Å; M227-Q238 HydrophobicContact CG-CB 4.31Å; Q238-V282 VanDerWaalsContact C-CG2 3.48Å |
| 239 | G | 93.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -171.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | H225 L226 | H225-G239 CarbonylContact C-O 3.45Å; L226-G239 PolarHBondContact N-O 3.22Å; L226-G239 PolarHBondContact O-N 3.32Å |
| 240 | A | 94.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 161.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | R223 V224 | R223-A240 HydrophobicContact CB-CB 4.39Å; V224-A240 WeakPolarHBondContact O-CA 3.33Å |
| 241 | I | 94.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.1 | 164.5 | 60.8 | 170.2 | 0 | 0 | 0 | 109 | R223 V224 L226 A243 M263 W275 L277 | R223-I241 VanDerWaalsContact CA-O 3.23Å; R223-I241 WeakPolarHBondContact CA-O 3.32Å; R223-I241 WeakPolarHBondContact CB-O 3.38Å; V224-I241 HydrophobicContact CB-CD1 4.32Å; V224-I241 HydrophobicContact CB-CG1 3.89Å; V224-I241 PolarHBondContact N-O 2.82Å; V224-I241 PolarHBondContact O-N 3.08Å; L226-I241 HydrophobicContact CD1-CG2 4.12Å; I241-A243 HydrophobicContact CD1-CB 4.41Å; I241-A243 HydrophobicContact CG1-CB 4.41Å; I241-A243 PolarHBondContact O-N 2.84Å; I241-A243 VanDerWaalsContact O-N 3.15Å; I241-M263 HydrophobicContact CD1-CE 3.47Å; I241-M263 VanDerWaalsContact CD1-CE 3.47Å; I241-M263 HydrophobicContact CG1-CE 4.39Å; I241-W275 HydrophobicContact CD1-CD2 3.69Å; I241-W275 HydrophobicContact CD1-CE3 3.84Å; I241-W275 HydrophobicContact CD1-CG 4.07Å; I241-W275 HydrophobicContact CD1-CH2 4.47Å; I241-W275 HydrophobicContact CD1-CZ2 4.37Å; I241-W275 HydrophobicContact CD1-CZ3 4.21Å; I241-L277 HydrophobicContact CD1-CD2 4.27Å; I241-L277 HydrophobicContact CG2-CD2 4.44Å |
| 242 | K | 94.4 | Very high | 95.3 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 93.2 | 169.1 | -174.1 | 55.7 | 168.4 | 159.8 | 0 | 108.5 | D221 R223 H244 | D221-K242 PolarHBondContact O-NZ 3.14Å; R223-K242 HydrophobicContact CG-CD 3.9Å; K242-H244 WeakPolarHBondContact CE-O 3.37Å; K242-H244 PolarHBondContact NZ-O 3.28Å |
| 243 | A | 94.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | trans | -86.6 | -37 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G222 V224 I241 T265 W275 | G222-A243 PolarHBondContact O-N 2.91Å; V224-A243 HydrophobicContact CG2-CB 4.02Å; I241-A243 HydrophobicContact CD1-CB 4.41Å; I241-A243 HydrophobicContact CG1-CB 4.41Å; I241-A243 PolarHBondContact O-N 2.84Å; I241-A243 VanDerWaalsContact O-N 3.15Å; A243-T265 HydrophobicContact CB-CG2 4.43Å; A243-W275 HydrophobicContact CB-CH2 4.38Å; A243-W275 HydrophobicContact CB-CZ2 3.69Å | ||
| 244 | H | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | trans | -133.6 | 149.9 | -172.5 | -66.4 | -81 | 0 | 0 | 0 | 111.5 | G222 K242 Q246 T265 G266 G267 D269 L271 | G222-H244 PolarHBondContact O-N 2.83Å; K242-H244 WeakPolarHBondContact CE-O 3.37Å; K242-H244 PolarHBondContact NZ-O 3.28Å; H244-Q246 CarbonylContact C-O 3.5Å; H244-Q246 WeakPolarHBondContact CB-O 3.48Å; H244-T265 WeakPolarHBondContact NE2-CB 3.46Å; H244-T265 PolarHBondContact NE2-OG1 3.36Å; H244-G266 PolarHBondContact NE2-N 2.89Å; H244-G267 PolarHBondContact CE1-N 2.85Å; H244-D269 WeakPolarHBondContact CA-OD2 3.21Å; H244-D269 WeakPolarHBondContact CB-OD2 3.33Å; H244-D269 IonicContact CE1-OD1 3.56Å; H244-D269 IonicContact CG-OD1 3.41Å; H244-D269 IonicContact CG-OD2 2.74Å; H244-D269 IonicContact ND1-OD1 3.98Å; H244-D269 PolarHBondContact ND1-OD1 3.03Å; H244-D269 IonicContact ND1-OD2 3.71Å; H244-L271 PolarHBondContact CE1-O 2.93Å; H244-L271 VanDerWaalsContact CE1-O 3.25Å | ||
| 245 | S | 94.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 66% | 0.657 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -75.5 | -27.4 | 176.1 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | D269 | S245-D269 PolarHBondContact N-OD2 2.85Å; S245-D269 WeakPolarHBondContact OG-CB 3.35Å; S245-D269 PolarHBondContact OG-OD2 2.62Å |
| 246 | Q | 95.1 | Very high | 95 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -113.4 | -173.8 | 168.9 | -61.1 | -177.3 | 43.6 | 0 | 0 | 109.9 | G222 H244 A248 N268 D269 | G222-Q246 WeakPolarHBondContact CA-O 3.34Å; H244-Q246 CarbonylContact C-O 3.5Å; H244-Q246 WeakPolarHBondContact CB-O 3.48Å; Q246-A248 PolarHBondContact O-N 2.84Å; Q246-N268 HydrophobicContact CB-CB 3.87Å; Q246-N268 PolarHBondContact OE1-O 2.57Å; Q246-D269 HydrophobicContact CB-CB 4.19Å; Q246-D269 HydrophobicContact CG-CB 4.2Å |
| 247 | G | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -51.9 | 135.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | E220 G267 N268 | E220-G247 WeakPolarHBondContact O-CA 3.31Å; G247-G267 CarbonylContact O-C 3.58Å; G247-G267 VanDerWaalsContact O-CA 3.29Å; G247-G267 WeakPolarHBondContact O-CA 3.34Å; G247-N268 PolarHBondContact O-N 3.39Å | ||
| 248 | A | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.5 | 174 | 0 | 0 | 0 | 0 | 0 | 107.6 | A218 A219 V224 Q246 | A218-A248 CarbonylContact C-O 3.53Å; A218-A248 HydrophobicContact CB-CB 4.05Å; A218-A248 WeakPolarHBondContact CB-O 3.32Å; A219-A248 PolarHBondContact N-O 2.91Å; A219-A248 PolarHBondContact O-N 2.91Å; V224-A248 HydrophobicContact CG2-CB 4.5Å; Q246-A248 PolarHBondContact O-N 2.84Å |
| 249 | S | 97.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -37.7 | -175.5 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | C205 G266 V348 | C205-S249 WeakPolarHBondContact CB-O 3.15Å; S249-G266 PolarHBondContact N-O 2.98Å; S249-G266 PolarHBondContact OG-O 3.48Å; S249-G266 VanDerWaalsContact OG-O 3.07Å; S249-V348 VanDerWaalsContact CB-O 3.3Å; S249-V348 WeakPolarHBondContact CB-O 3.44Å; S249-V348 PolarHBondContact OG-O 3.18Å |
| 250 | Q | 98.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.1 | -172.5 | -65.7 | -70.6 | 4.4 | 0 | 0 | 112 | C205 H252 T265 G266 N349 W350 L351 | C205-Q250 PolarHBondContact SG-OE1 3.15Å; Q250-H252 PolarHBondContact OE1-NE2 2.61Å; Q250-H252 VanDerWaalsContact OE1-NE2 3.13Å; Q250-T265 CarbonylContact O-C 3.6Å; Q250-T265 VanDerWaalsContact O-CA 3.26Å; Q250-T265 WeakPolarHBondContact O-CA 3.37Å; Q250-G266 PolarHBondContact N-O 2.77Å; Q250-G266 PolarHBondContact O-N 2.81Å; Q250-N349 WeakPolarHBondContact CG-O 3.24Å; Q250-N349 PolarHBondContact NE2-O 3.01Å; Q250-W350 VanDerWaalsContact NE2-CD2 3.35Å; Q250-L351 HydrophobicContact CB-CB 3.98Å; Q250-L351 HydrophobicContact CB-CD1 3.97Å; Q250-L351 HydrophobicContact CB-CG 3.94Å; Q250-L351 HydrophobicContact CG-CB 4.38Å; Q250-L351 HydrophobicContact CG-CG 4.44Å |
| 251 | A | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 120.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S207 A218 V224 M263 V264 T265 | S207-A251 WeakPolarHBondContact CB-O 3.38Å; A218-A251 HydrophobicContact CB-CB 3.87Å; V224-A251 HydrophobicContact CG1-CB 3.94Å; V224-A251 HydrophobicContact CG2-CB 3.91Å; A251-M263 HydrophobicContact CB-SD 4.25Å; A251-V264 WeakPolarHBondContact CA-O 3.16Å; A251-T265 HydrophobicContact CB-CG2 4.11Å |
| 252 | H | 98.2 | Very high | 93.9 | Very high | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.1 | -179.2 | -60.7 | -74.2 | 0 | 0 | 0 | 111.9 | C205 Q250 M263 V264 L351 P353 | C205-H252 VanDerWaalsContact SG-CE1 3.58Å; Q250-H252 PolarHBondContact OE1-NE2 2.61Å; Q250-H252 VanDerWaalsContact OE1-NE2 3.13Å; H252-M263 WeakPolarHBondContact O-CA 3.44Å; H252-V264 HydrophobicContact CB-CG1 4.26Å; H252-V264 PolarHBondContact N-O 3.49Å; H252-V264 PolarHBondContact O-N 2.69Å; H252-L351 PolarHBondContact CD2-O 2.78Å; H252-L351 VanDerWaalsContact CD2-O 3.29Å; H252-L351 PolarHBondContact NE2-O 3.37Å; H252-P353 HydrophobicContact CB-CG 3.86Å |
| 253 | F | 97.3 | Very high | 94 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.5 | 167.6 | -74.7 | -79.9 | 0 | 0 | 0 | 110.9 | S207 S209 V214 L226 W262 M263 L277 | S207-F253 WeakPolarHBondContact O-CE2 3.26Å; S207-F253 PolarHBondContact OG-N 3.02Å; S207-F253 VanDerWaalsContact OG-N 3.09Å; S209-F253 VanDerWaalsContact N-CD2 3.27Å; V214-F253 HydrophobicContact CG1-CE1 4.24Å; V214-F253 HydrophobicContact CG1-CZ 3.72Å; L226-F253 HydrophobicContact CD2-CZ 4.48Å; F253-W262 CarbonylContact C-O 3.57Å; F253-W262 VanDerWaalsContact CA-O 3.32Å; F253-W262 WeakPolarHBondContact CA-O 3.2Å; F253-W262 WeakPolarHBondContact CD1-O 3.46Å; F253-M263 HydrophobicContact CD1-CB 4.27Å; F253-M263 HydrophobicContact CE1-CB 4.35Å; F253-M263 HydrophobicContact CE1-SD 4.43Å; F253-M263 HydrophobicContact CZ-SD 4.23Å; F253-L277 HydrophobicContact CE1-CD1 4.09Å; F253-L277 HydrophobicContact CZ-CD1 4.49Å |
| 254 | I | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 106.1 | 178.3 | -52.6 | 178.7 | 0 | 0 | 0 | 108.6 | F256 L257 W262 V264 L274 P353 L376 | I254-F256 HydrophobicContact CG2-CD1 4.06Å; I254-F256 HydrophobicContact CG2-CD2 3.58Å; I254-F256 HydrophobicContact CG2-CE1 3.82Å; I254-F256 HydrophobicContact CG2-CE2 3.3Å; I254-F256 HydrophobicContact CG2-CG 3.97Å; I254-F256 HydrophobicContact CG2-CZ 3.43Å; I254-F256 VanDerWaalsContact CG2-CZ 3.43Å; I254-L257 HydrophobicContact CB-CD1 3.96Å; I254-L257 HydrophobicContact CB-CG 4.29Å; I254-L257 HydrophobicContact CD1-CD1 3.92Å; I254-L257 HydrophobicContact CG2-CB 4.32Å; I254-L257 HydrophobicContact CG2-CD1 3.72Å; I254-L257 HydrophobicContact CG2-CG 3.6Å; I254-W262 HydrophobicContact CB-CB 4.13Å; I254-W262 PolarHBondContact N-O 3.06Å; I254-V264 HydrophobicContact CD1-CB 4.05Å; I254-V264 HydrophobicContact CD1-CG1 4.11Å; I254-V264 HydrophobicContact CG1-CG1 4.28Å; I254-L274 HydrophobicContact CD1-CD1 3.64Å; I254-P353 HydrophobicContact CD1-CB 4.22Å; I254-P353 HydrophobicContact CG1-CB 3.9Å; I254-P353 HydrophobicContact CG1-CG 4.33Å; I254-L376 HydrophobicContact CD1-CD1 3.97Å |
| 255 | S | 89.1 | Confident | 94.3 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 58% | 0.58 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -19.1 | -176.3 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 256 | F | 88.8 | Confident | 94.5 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 32% | 0.32 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.3 | -176.7 | 52.4 | -104.6 | 0 | 0 | 0 | 114.1 | I254 P353 V355 P360 | I254-F256 HydrophobicContact CG2-CD1 4.06Å; I254-F256 HydrophobicContact CG2-CD2 3.58Å; I254-F256 HydrophobicContact CG2-CE1 3.82Å; I254-F256 HydrophobicContact CG2-CE2 3.3Å; I254-F256 HydrophobicContact CG2-CG 3.97Å; I254-F256 HydrophobicContact CG2-CZ 3.43Å; I254-F256 VanDerWaalsContact CG2-CZ 3.43Å; F256-P353 HydrophobicContact CE1-CB 4.43Å; F256-P353 HydrophobicContact CZ-CB 4.03Å; F256-V355 HydrophobicContact CB-CG2 4.05Å; F256-V355 HydrophobicContact CD1-CG2 3.93Å; F256-V355 HydrophobicContact CD2-CG2 3.49Å; F256-V355 VanDerWaalsContact CD2-CG2 3.49Å; F256-V355 HydrophobicContact CE1-CG2 4.21Å; F256-V355 HydrophobicContact CE2-CG2 3.8Å; F256-V355 HydrophobicContact CG-CG2 3.55Å; F256-V355 HydrophobicContact CZ-CG2 4.15Å; F256-P360 HydrophobicContact CD2-CB 4.26Å; F256-P360 HydrophobicContact CD2-CG 4.38Å; F256-P360 HydrophobicContact CE2-CB 3.89Å; F256-P360 HydrophobicContact CE2-CG 4.48Å |
| 257 | L | 89.4 | Confident | 94.6 | Very high | 29 Ų | 29 | 24.4 Ų | 24.4 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -93.1 | -178.9 | 169.3 | -68.7 | 177.1 | 0 | 0 | 0 | 110.9 | I254 H259 W262 P360 L379 | I254-L257 HydrophobicContact CB-CD1 3.96Å; I254-L257 HydrophobicContact CB-CG 4.29Å; I254-L257 HydrophobicContact CD1-CD1 3.92Å; I254-L257 HydrophobicContact CG2-CB 4.32Å; I254-L257 HydrophobicContact CG2-CD1 3.72Å; I254-L257 HydrophobicContact CG2-CG 3.6Å; L257-H259 PolarHBondContact O-N 2.85Å; L257-W262 HydrophobicContact CB-CB 4.17Å; L257-W262 VanDerWaalsContact CB-CD1 3.47Å; L257-W262 HydrophobicContact CB-CG 3.84Å; L257-W262 HydrophobicContact CD1-CB 3.67Å; L257-W262 HydrophobicContact CD1-CD2 3.93Å; L257-W262 HydrophobicContact CD1-CE3 4.39Å; L257-W262 HydrophobicContact CD1-CG 3.59Å; L257-W262 HydrophobicContact CG-CG 4.38Å; L257-P360 HydrophobicContact CD2-CB 3.87Å; L257-P360 HydrophobicContact CD2-CG 3.84Å; L257-L379 HydrophobicContact CD1-CD1 3.85Å; L257-L379 HydrophobicContact CD2-CD1 4.13Å |
| 258 | S | 86.2 | Confident | 94.7 | Very high | 109 Ų | 109 | 25.9 Ų | 25.9 | 76% | 0.762 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -56.4 | -24 | -169.1 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | W262 | S258-W262 PolarHBondContact OG-NE1 2.94Å; S258-W262 VanDerWaalsContact OG-NE1 3.16Å |
| 259 | H | 88.4 | Confident | 94.6 | Very high | 42 Ų | 42 | 27.4 Ų | 27.4 | 19% | 0.194 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -152.6 | 162.6 | 174.6 | 65.6 | 79.8 | 0 | 0 | 0 | 110.1 | L257 H261 W262 D276 | L257-H259 PolarHBondContact O-N 2.85Å; H259-H261 WeakPolarHBondContact ND1-CB 3.48Å; H259-H261 PolarHBondContact ND1-N 2.91Å; H259-H261 VanDerWaalsContact ND1-N 3.18Å; H259-H261 PolarHBondContact O-N 3.29Å; H259-W262 AromaticContact CD2-CD1 3.8Å; H259-W262 AromaticContact CD2-NE1 3.5Å; H259-W262 PolarHBondContact CD2-NE1 3.04Å; H259-W262 AromaticContact CE1-CD1 3.59Å; H259-W262 AromaticContact CE1-NE1 3.74Å; H259-W262 AromaticContact NE2-CD1 3.47Å; H259-W262 AromaticContact NE2-CE2 3.81Å; H259-W262 AromaticContact NE2-NE1 3.13Å; H259-W262 PolarHBondContact NE2-NE1 2.83Å; H259-W262 VanDerWaalsContact NE2-NE1 3.13Å; H259-D276 IonicContact CE1-OD1 2.89Å; H259-D276 PolarHBondContact CE1-OD1 3.21Å; H259-D276 IonicContact NE2-OD1 3.26Å; H259-D276 PolarHBondContact NE2-OD1 2.86Å; H259-D276 VanDerWaalsContact NE2-OD1 3.09Å; H259-D276 IonicContact NE2-OD2 2.85Å |
| 260 | P | 88.8 | Confident | 94.6 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 28% | 0.279 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 8 | -168.9 | 33.2 | -37.8 | 0 | 0 | 0 | 114.5 | S209 C211 | S209-P260 PolarHBondContact OG-O 3.07Å; C211-P260 HydrophobicContact CB-CG 4.31Å |
| 261 | H | 93.2 | Very high | 94.6 | Very high | 33 Ų | 33 | 28.7 Ų | 28.7 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 17.8 | -172.8 | -50.9 | -52.6 | 0 | 0 | 0 | 112.6 | H259 L277 V283 | H259-H261 WeakPolarHBondContact ND1-CB 3.48Å; H259-H261 PolarHBondContact ND1-N 2.91Å; H259-H261 VanDerWaalsContact ND1-N 3.18Å; H259-H261 PolarHBondContact O-N 3.29Å; H261-L277 HydrophobicContact CB-CB 4.32Å; H261-L277 WeakPolarHBondContact O-CB 3.32Å; H261-L277 PolarHBondContact O-N 2.8Å; H261-V283 HydrophobicContact CB-CG1 3.97Å; H261-V283 WeakPolarHBondContact CD2-CG1 3.39Å |
| 262 | W | 95.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138 | 161.2 | -78.5 | 98.1 | 0 | 0 | 0 | 109.7 | F253 I254 L257 S258 H259 L274 W275 D276 K339 L379 | F253-W262 CarbonylContact C-O 3.57Å; F253-W262 VanDerWaalsContact CA-O 3.32Å; F253-W262 WeakPolarHBondContact CA-O 3.2Å; F253-W262 WeakPolarHBondContact CD1-O 3.46Å; I254-W262 HydrophobicContact CB-CB 4.13Å; I254-W262 PolarHBondContact N-O 3.06Å; L257-W262 HydrophobicContact CB-CB 4.17Å; L257-W262 VanDerWaalsContact CB-CD1 3.47Å; L257-W262 HydrophobicContact CB-CG 3.84Å; L257-W262 HydrophobicContact CD1-CB 3.67Å; L257-W262 HydrophobicContact CD1-CD2 3.93Å; L257-W262 HydrophobicContact CD1-CE3 4.39Å; L257-W262 HydrophobicContact CD1-CG 3.59Å; L257-W262 HydrophobicContact CG-CG 4.38Å; S258-W262 PolarHBondContact OG-NE1 2.94Å; S258-W262 VanDerWaalsContact OG-NE1 3.16Å; H259-W262 AromaticContact CD2-CD1 3.8Å; H259-W262 AromaticContact CD2-NE1 3.5Å; H259-W262 PolarHBondContact CD2-NE1 3.04Å; H259-W262 AromaticContact CE1-CD1 3.59Å; H259-W262 AromaticContact CE1-NE1 3.74Å; H259-W262 AromaticContact NE2-CD1 3.47Å; H259-W262 AromaticContact NE2-CE2 3.81Å; H259-W262 AromaticContact NE2-NE1 3.13Å; H259-W262 PolarHBondContact NE2-NE1 2.83Å; H259-W262 VanDerWaalsContact NE2-NE1 3.13Å; W262-L274 HydrophobicContact CE3-CD1 3.96Å; W262-L274 HydrophobicContact CE3-CD2 3.98Å; W262-L274 HydrophobicContact CE3-CG 3.74Å; W262-L274 HydrophobicContact CZ3-CD1 4.47Å; W262-L274 HydrophobicContact CZ3-CD2 3.74Å; W262-L274 HydrophobicContact CZ3-CG 3.75Å; W262-W275 WeakPolarHBondContact CA-O 3.43Å; W262-W275 VanDerWaalsContact CE3-O 3.24Å; W262-D276 HydrophobicContact CD2-CB 4.39Å; W262-D276 HydrophobicContact CE3-CB 4.19Å; W262-D276 HydrophobicContact CH2-CB 3.77Å; W262-D276 HydrophobicContact CZ2-CB 3.94Å; W262-D276 HydrophobicContact CZ3-CB 3.88Å; W262-K339 HydrophobicContact CH2-CB 4.04Å; W262-K339 HydrophobicContact CH2-CG 3.74Å; W262-K339 HydrophobicContact CZ3-CB 3.9Å; W262-K339 HydrophobicContact CZ3-CG 3.77Å; W262-L379 HydrophobicContact CH2-CD2 3.43Å; W262-L379 VanDerWaalsContact CH2-CD2 3.43Å; W262-L379 HydrophobicContact CZ2-CD2 4.18Å; W262-L379 HydrophobicContact CZ3-CD2 3.73Å |
| 263 | M | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 136.5 | 178.5 | -175.5 | 172 | 75.9 | 0 | 0 | 109.7 | V224 L226 I241 A251 H252 F253 T265 L274 W275 L277 | V224-M263 HydrophobicContact CB-CE 3.99Å; V224-M263 HydrophobicContact CG1-CE 3.65Å; V224-M263 HydrophobicContact CG1-SD 3.87Å; V224-M263 HydrophobicContact CG2-CE 4.27Å; L226-M263 HydrophobicContact CD2-CE 4.38Å; L226-M263 HydrophobicContact CD2-SD 4.35Å; I241-M263 HydrophobicContact CD1-CE 3.47Å; I241-M263 VanDerWaalsContact CD1-CE 3.47Å; I241-M263 HydrophobicContact CG1-CE 4.39Å; A251-M263 HydrophobicContact CB-SD 4.25Å; H252-M263 WeakPolarHBondContact O-CA 3.44Å; F253-M263 HydrophobicContact CD1-CB 4.27Å; F253-M263 HydrophobicContact CE1-CB 4.35Å; F253-M263 HydrophobicContact CE1-SD 4.43Å; F253-M263 HydrophobicContact CZ-SD 4.23Å; M263-T265 HydrophobicContact CE-CG2 3.69Å; M263-T265 HydrophobicContact CG-CG2 4.18Å; M263-T265 HydrophobicContact SD-CG2 4.43Å; M263-L274 WeakPolarHBondContact O-CA 3.05Å; M263-W275 HydrophobicContact CB-CB 4.48Å; M263-W275 PolarHBondContact N-O 2.95Å; M263-W275 PolarHBondContact O-N 3.45Å; M263-L277 HydrophobicContact CB-CD1 3.98Å; M263-L277 HydrophobicContact CE-CD1 3.75Å; M263-L277 HydrophobicContact SD-CD1 3.98Å |
| 264 | V | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.3 | 168.2 | 64.9 | 0 | 0 | 0 | 0 | 109.4 | A251 H252 I254 V272 A273 L274 L351 P353 V362 | A251-V264 WeakPolarHBondContact CA-O 3.16Å; H252-V264 HydrophobicContact CB-CG1 4.26Å; H252-V264 PolarHBondContact N-O 3.49Å; H252-V264 PolarHBondContact O-N 2.69Å; I254-V264 HydrophobicContact CD1-CB 4.05Å; I254-V264 HydrophobicContact CD1-CG1 4.11Å; I254-V264 HydrophobicContact CG1-CG1 4.28Å; V264-V272 HydrophobicContact CG2-CG1 3.65Å; V264-A273 CarbonylContact C-O 3.17Å; V264-A273 WeakPolarHBondContact CA-O 3.36Å; V264-L274 HydrophobicContact CB-CD1 4.19Å; V264-L351 HydrophobicContact CG1-CD1 4.49Å; V264-L351 HydrophobicContact CG2-CD1 4.17Å; V264-P353 HydrophobicContact CG1-CB 4.3Å; V264-P353 HydrophobicContact CG1-CG 4.27Å; V264-V362 HydrophobicContact CG1-CG2 4.4Å; V264-V362 HydrophobicContact CG2-CG2 4.12Å |
| 265 | T | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 148.9 | 179.8 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | V224 A243 H244 Q250 A251 M263 V272 A273 W275 | V224-T265 HydrophobicContact CG2-CG2 3.7Å; A243-T265 HydrophobicContact CB-CG2 4.43Å; H244-T265 WeakPolarHBondContact NE2-CB 3.46Å; H244-T265 PolarHBondContact NE2-OG1 3.36Å; Q250-T265 CarbonylContact O-C 3.6Å; Q250-T265 VanDerWaalsContact O-CA 3.26Å; Q250-T265 WeakPolarHBondContact O-CA 3.37Å; A251-T265 HydrophobicContact CB-CG2 4.11Å; M263-T265 HydrophobicContact CE-CG2 3.69Å; M263-T265 HydrophobicContact CG-CG2 4.18Å; M263-T265 HydrophobicContact SD-CG2 4.43Å; T265-V272 CarbonylContact O-C 3.59Å; T265-V272 VanDerWaalsContact O-CA 3.32Å; T265-V272 WeakPolarHBondContact O-CA 3.46Å; T265-A273 PolarHBondContact N-O 2.85Å; T265-A273 PolarHBondContact O-N 3.46Å; T265-W275 PolarHBondContact OG1-NE1 3.02Å |
| 266 | G | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | H244 S249 Q250 L271 | H244-G266 PolarHBondContact NE2-N 2.89Å; S249-G266 PolarHBondContact N-O 2.98Å; S249-G266 PolarHBondContact OG-O 3.48Å; S249-G266 VanDerWaalsContact OG-O 3.07Å; Q250-G266 PolarHBondContact N-O 2.77Å; Q250-G266 PolarHBondContact O-N 2.81Å; G266-L271 WeakPolarHBondContact CA-O 3.31Å |
| 267 | G | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H244 G247 D269 G270 L271 V348 | H244-G267 PolarHBondContact CE1-N 2.85Å; G247-G267 CarbonylContact O-C 3.58Å; G247-G267 VanDerWaalsContact O-CA 3.29Å; G247-G267 WeakPolarHBondContact O-CA 3.34Å; G267-D269 PolarHBondContact O-N 3.49Å; G267-G270 PolarHBondContact O-N 2.77Å; G267-G270 VanDerWaalsContact O-N 3.08Å; G267-L271 PolarHBondContact N-O 3.47Å; G267-V348 PolarHBondContact O-N 3.01Å |
| 268 | N | 97.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 18% | 0.176 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.8 | 177.4 | -69.6 | -16.8 | 0 | 0 | 0 | 113 | Q246 G247 K347 | Q246-N268 HydrophobicContact CB-CB 3.87Å; Q246-N268 PolarHBondContact OE1-O 2.57Å; G247-N268 PolarHBondContact O-N 3.39Å; N268-K347 HydrophobicContact CB-CD 4.28Å |
| 269 | D | 96.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 25.1 Ų | 25.1 | 17% | 0.171 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3.1 | 170.9 | 61.6 | 1.4 | 0 | 0 | 0 | 113.6 | H244 S245 Q246 G267 L271 | H244-D269 WeakPolarHBondContact CA-OD2 3.21Å; H244-D269 WeakPolarHBondContact CB-OD2 3.33Å; H244-D269 IonicContact CE1-OD1 3.56Å; H244-D269 IonicContact CG-OD1 3.41Å; H244-D269 IonicContact CG-OD2 2.74Å; H244-D269 IonicContact ND1-OD1 3.98Å; H244-D269 PolarHBondContact ND1-OD1 3.03Å; H244-D269 IonicContact ND1-OD2 3.71Å; S245-D269 PolarHBondContact N-OD2 2.85Å; S245-D269 WeakPolarHBondContact OG-CB 3.35Å; S245-D269 PolarHBondContact OG-OD2 2.62Å; Q246-D269 HydrophobicContact CB-CB 4.19Å; Q246-D269 HydrophobicContact CG-CB 4.2Å; G267-D269 PolarHBondContact O-N 3.49Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.8Å; D269-L271 PolarHBondContact OD1-N 3.41Å |
| 270 | G | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 69.9 | 24 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G267 H344 G345 D346 | G267-G270 PolarHBondContact O-N 2.77Å; G267-G270 VanDerWaalsContact O-N 3.08Å; G270-H344 WeakPolarHBondContact O-CA 3.49Å; G270-H344 VanDerWaalsContact O-CB 3.31Å; G270-H344 WeakPolarHBondContact O-CB 3.37Å; G270-H344 PolarHBondContact O-N 2.83Å; G270-G345 PolarHBondContact O-N 3.35Å; G270-D346 WeakPolarHBondContact CA-O 3.46Å |
| 271 | L | 97.6 | Very high | 96 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 27% | 0.272 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 143.5 | 173.1 | -63.1 | 179 | 0 | 0 | 0 | 111 | H244 G266 G267 D269 | H244-L271 PolarHBondContact CE1-O 2.93Å; H244-L271 VanDerWaalsContact CE1-O 3.25Å; G266-L271 WeakPolarHBondContact CA-O 3.31Å; G267-L271 PolarHBondContact N-O 3.47Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.8Å; D269-L271 PolarHBondContact OD1-N 3.41Å |
| 272 | V | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.8 | 161.6 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | V264 T265 I342 H344 V348 L351 V362 V364 | V264-V272 HydrophobicContact CG2-CG1 3.65Å; T265-V272 CarbonylContact O-C 3.59Å; T265-V272 VanDerWaalsContact O-CA 3.32Å; T265-V272 WeakPolarHBondContact O-CA 3.46Å; V272-I342 HydrophobicContact CB-CB 4.28Å; V272-I342 PolarHBondContact N-O 3.22Å; V272-I342 PolarHBondContact O-N 2.9Å; V272-H344 HydrophobicContact CG2-CB 4.47Å; V272-V348 HydrophobicContact CG2-CG2 3.73Å; V272-L351 HydrophobicContact CG1-CD2 4.32Å; V272-L351 HydrophobicContact CG2-CD2 4.07Å; V272-V362 HydrophobicContact CG1-CG1 4.27Å; V272-V364 HydrophobicContact CG2-CG1 4.42Å; V272-V364 HydrophobicContact CG2-CG2 4.01Å |
| 273 | A | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V264 T265 W275 P338 L340 | V264-A273 CarbonylContact C-O 3.17Å; V264-A273 WeakPolarHBondContact CA-O 3.36Å; T265-A273 PolarHBondContact N-O 2.85Å; T265-A273 PolarHBondContact O-N 3.46Å; A273-W275 HydrophobicContact CB-CZ2 3.93Å; A273-P338 HydrophobicContact CB-CB 4.03Å; A273-L340 WeakPolarHBondContact CA-O 3.24Å |
| 274 | L | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.4 | -179.7 | -177.4 | 75.1 | 0 | 0 | 0 | 110.5 | I254 W262 M263 V264 P338 K339 L340 L379 | I254-L274 HydrophobicContact CD1-CD1 3.64Å; W262-L274 HydrophobicContact CE3-CD1 3.96Å; W262-L274 HydrophobicContact CE3-CD2 3.98Å; W262-L274 HydrophobicContact CE3-CG 3.74Å; W262-L274 HydrophobicContact CZ3-CD1 4.47Å; W262-L274 HydrophobicContact CZ3-CD2 3.74Å; W262-L274 HydrophobicContact CZ3-CG 3.75Å; M263-L274 WeakPolarHBondContact O-CA 3.05Å; V264-L274 HydrophobicContact CB-CD1 4.19Å; L274-P338 CarbonylContact O-C 3.53Å; L274-P338 WeakPolarHBondContact O-CA 3.31Å; L274-K339 PolarHBondContact O-N 3.32Å; L274-L340 HydrophobicContact CB-CB 4.11Å; L274-L340 HydrophobicContact CD2-CB 4.41Å; L274-L340 PolarHBondContact N-O 2.86Å; L274-L340 PolarHBondContact O-N 2.74Å; L274-L379 HydrophobicContact CD2-CD1 3.29Å; L274-L379 HydrophobicContact CD2-CD2 3.53Å; L274-L379 HydrophobicContact CD2-CG 3.73Å |
| 275 | W | 96.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.9 | -168.2 | -51.9 | 83.4 | 0 | 0 | 0 | 110.9 | I241 A243 W262 M263 T265 A273 L277 P338 | I241-W275 HydrophobicContact CD1-CD2 3.69Å; I241-W275 HydrophobicContact CD1-CE3 3.84Å; I241-W275 HydrophobicContact CD1-CG 4.07Å; I241-W275 HydrophobicContact CD1-CH2 4.47Å; I241-W275 HydrophobicContact CD1-CZ2 4.37Å; I241-W275 HydrophobicContact CD1-CZ3 4.21Å; A243-W275 HydrophobicContact CB-CH2 4.38Å; A243-W275 HydrophobicContact CB-CZ2 3.69Å; W262-W275 WeakPolarHBondContact CA-O 3.43Å; W262-W275 VanDerWaalsContact CE3-O 3.24Å; M263-W275 HydrophobicContact CB-CB 4.48Å; M263-W275 PolarHBondContact N-O 2.95Å; M263-W275 PolarHBondContact O-N 3.45Å; T265-W275 PolarHBondContact OG1-NE1 3.02Å; A273-W275 HydrophobicContact CB-CZ2 3.93Å; W275-L277 HydrophobicContact CB-CD2 3.96Å; W275-L277 HydrophobicContact CB-CG 4.18Å; W275-P338 HydrophobicContact CD2-CB 4.12Å; W275-P338 HydrophobicContact CE3-CB 4.18Å; W275-P338 HydrophobicContact CH2-CB 4.13Å; W275-P338 HydrophobicContact CH2-CG 4.15Å; W275-P338 HydrophobicContact CZ2-CB 4.02Å; W275-P338 HydrophobicContact CZ2-CG 4.32Å; W275-P338 HydrophobicContact CZ3-CB 4.21Å; W275-P338 HydrophobicContact CZ3-CG 4.44Å |
| 276 | D | 95 | Very high | 93 | Very high | 36 Ų | 36 | 35 Ų | 35 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.8 | 163.6 | 172.6 | 1 | 0 | 0 | 0 | 108.2 | H259 W262 S278 K339 | H259-D276 IonicContact CE1-OD1 2.89Å; H259-D276 PolarHBondContact CE1-OD1 3.21Å; H259-D276 IonicContact NE2-OD1 3.26Å; H259-D276 PolarHBondContact NE2-OD1 2.86Å; H259-D276 VanDerWaalsContact NE2-OD1 3.09Å; H259-D276 IonicContact NE2-OD2 2.85Å; W262-D276 HydrophobicContact CD2-CB 4.39Å; W262-D276 HydrophobicContact CE3-CB 4.19Å; W262-D276 HydrophobicContact CH2-CB 3.77Å; W262-D276 HydrophobicContact CZ2-CB 3.94Å; W262-D276 HydrophobicContact CZ3-CB 3.88Å; D276-S278 WeakPolarHBondContact OD1-CB 3.35Å; D276-S278 PolarHBondContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.36Å; D276-S278 PolarHBondContact OD2-OG 3.46Å; D276-K339 HydrophobicContact CB-CD 4.44Å; D276-K339 HydrophobicContact CB-CG 3.88Å |
| 277 | L | 95.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | trans | -93.8 | 8.6 | -178.3 | -55.4 | 176.3 | 0 | 0 | 0 | 113.2 | L226 I241 F253 H261 M263 W275 K279 H280 V283 | L226-L277 HydrophobicContact CD1-CD1 4.04Å; L226-L277 HydrophobicContact CD1-CD2 4.34Å; L226-L277 HydrophobicContact CD2-CD1 3.96Å; I241-L277 HydrophobicContact CD1-CD2 4.27Å; I241-L277 HydrophobicContact CG2-CD2 4.44Å; F253-L277 HydrophobicContact CE1-CD1 4.09Å; F253-L277 HydrophobicContact CZ-CD1 4.49Å; H261-L277 HydrophobicContact CB-CB 4.32Å; H261-L277 WeakPolarHBondContact O-CB 3.32Å; H261-L277 PolarHBondContact O-N 2.8Å; M263-L277 HydrophobicContact CB-CD1 3.98Å; M263-L277 HydrophobicContact CE-CD1 3.75Å; M263-L277 HydrophobicContact SD-CD1 3.98Å; W275-L277 HydrophobicContact CB-CD2 3.96Å; W275-L277 HydrophobicContact CB-CG 4.18Å; L277-K279 PolarHBondContact O-N 3.13Å; L277-H280 HydrophobicContact CB-CB 4.23Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.84Å; L277-V283 HydrophobicContact CB-CG2 3.98Å; L277-V283 VanDerWaalsContact O-CB 3.25Å; L277-V283 WeakPolarHBondContact O-CB 3.37Å; L277-V283 WeakPolarHBondContact O-CG1 3.4Å; L277-V283 WeakPolarHBondContact O-CG2 3.42Å | ||
| 278 | S | 92.6 | Very high | 88.6 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.8 | -176.1 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | D276 N284 | D276-S278 WeakPolarHBondContact OD1-CB 3.35Å; D276-S278 PolarHBondContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.36Å; D276-S278 PolarHBondContact OD2-OG 3.46Å; S278-N284 VanDerWaalsContact O-CB 3.23Å; S278-N284 WeakPolarHBondContact O-CB 3.3Å |
| 279 | K | 92.5 | Very high | 85.8 | Confident | 170 Ų | 170 | 49.7 Ų | 49.7 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -5.1 | 178.4 | -61.6 | -177.6 | -177.3 | 179.7 | 0 | 113.7 | L277 | L277-K279 PolarHBondContact O-N 3.13Š|
| 280 | H | 94.1 | Very high | 82.9 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | trans | -65.5 | 134.8 | -177.4 | -169.7 | -88.5 | 0 | 0 | 0 | 110 | L277 V282 V283 N284 | L277-H280 HydrophobicContact CB-CB 4.23Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.84Å; H280-V282 VanDerWaalsContact C-N 3.26Å; H280-V282 PolarHBondContact ND1-N 2.82Å; H280-V282 PolarHBondContact O-N 2.92Å; H280-V282 VanDerWaalsContact O-N 3.13Å; H280-V283 HydrophobicContact CB-CB 4.34Å; H280-V283 HydrophobicContact CB-CG2 4.12Å; H280-V283 WeakPolarHBondContact O-CA 3.16Å; H280-V283 WeakPolarHBondContact O-CB 3.43Å; H280-V283 PolarHBondContact O-N 2.86Å; H280-N284 PolarHBondContact O-N 3.13Å | ||
| 281 | P | 92 | Very high | 79.9 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 29% | 0.292 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.2 | -172.9 | -28.1 | 35 | 0 | 0 | 0 | 115 | V283 N284 P285 | P281-V283 VanDerWaalsContact C-N 3.32Å; P281-N284 CarbonylContact O-C 3.51Å; P281-P285 VanDerWaalsContact O-CA 3.27Å; P281-P285 WeakPolarHBondContact O-CA 3.38Å |
| 282 | V | 92.4 | Very high | 76.9 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -35.6 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L226 R228 Q237 Q238 H280 | L226-V282 HydrophobicContact CB-CB 4.32Å; L226-V282 HydrophobicContact CB-CG1 4.08Å; R228-V282 HydrophobicContact CB-CG1 4.06Å; R228-V282 WeakPolarHBondContact CD-O 3.47Å; R228-V282 PolarHBondContact NE-O 2.97Å; Q237-V282 HydrophobicContact CB-CG1 4.28Å; Q238-V282 VanDerWaalsContact C-CG2 3.48Å; H280-V282 VanDerWaalsContact C-N 3.26Å; H280-V282 PolarHBondContact ND1-N 2.82Å; H280-V282 PolarHBondContact O-N 2.92Å; H280-V282 VanDerWaalsContact O-N 3.13Å |
| 283 | V | 90.6 | Very high | 73.6 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -46.3 | -178 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | V214 R228 H261 L277 H280 P281 P285 | V214-V283 HydrophobicContact CG1-CG2 3.94Å; V214-V283 HydrophobicContact CG2-CG1 4.37Å; V214-V283 HydrophobicContact CG2-CG2 4.36Å; R228-V283 PolarHBondContact NE-O 2.83Å; R228-V283 PolarHBondContact NH2-O 3Å; H261-V283 HydrophobicContact CB-CG1 3.97Å; H261-V283 WeakPolarHBondContact CD2-CG1 3.39Å; L277-V283 HydrophobicContact CB-CG2 3.98Å; L277-V283 VanDerWaalsContact O-CB 3.25Å; L277-V283 WeakPolarHBondContact O-CB 3.37Å; L277-V283 WeakPolarHBondContact O-CG1 3.4Å; L277-V283 WeakPolarHBondContact O-CG2 3.42Å; H280-V283 HydrophobicContact CB-CB 4.34Å; H280-V283 HydrophobicContact CB-CG2 4.12Å; H280-V283 WeakPolarHBondContact O-CA 3.16Å; H280-V283 WeakPolarHBondContact O-CB 3.43Å; H280-V283 PolarHBondContact O-N 2.86Å; P281-V283 VanDerWaalsContact C-N 3.32Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å |
| 284 | N | 88.3 | Confident | 70.6 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 35% | 0.353 | 44% | 0.442 | S | S | . | . | trans | -125.5 | 80.5 | -178.4 | -171.9 | 4.9 | 0 | 0 | 0 | 111.5 | S278 H280 P281 E286 G287 | S278-N284 VanDerWaalsContact O-CB 3.23Å; S278-N284 WeakPolarHBondContact O-CB 3.3Å; H280-N284 PolarHBondContact O-N 3.13Å; P281-N284 CarbonylContact O-C 3.51Å; N284-E286 PolarHBondContact O-N 3.5Å; N284-G287 PolarHBondContact O-N 2.92Å | ||
| 285 | P | 76.8 | Confident | 67.6 | Low | 50 Ų | 50 | 86.2 Ų | 86.2 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -67.4 | -21.6 | -177.9 | 24.6 | -32.9 | 0 | 0 | 0 | 113.7 | P281 V283 G287 | P281-P285 VanDerWaalsContact O-CA 3.27Å; P281-P285 WeakPolarHBondContact O-CA 3.38Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.09Å |
| 286 | E | 70.9 | Confident | 64.4 | Low | 158 Ų | 158 | 97.1 Ų | 97.1 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -78.8 | -11.2 | -178.5 | -63.5 | -177.7 | 178.1 | 0 | 0 | 113.3 | N284 K288 T289 | N284-E286 PolarHBondContact O-N 3.5Å; E286-K288 PolarHBondContact O-N 3.16Å; E286-K288 VanDerWaalsContact O-N 3.09Å; E286-T289 PolarHBondContact O-N 2.82Å; E286-T289 PolarHBondContact O-OG1 2.88Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å |
| 287 | G | 54.5 | Low | 61.5 | Low | 61 Ų | 61 | 107 Ų | 107 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -66.3 | -7.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N284 P285 | N284-G287 PolarHBondContact O-N 2.92Å; P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.09Å |
| 288 | K | 48.5 | Very low | 58.5 | Low | 159 Ų | 159 | 116.4 Ų | 116.4 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -87.4 | -3.5 | 178.4 | -77.4 | -170.5 | 175.9 | -176.2 | 0 | 114.9 | E286 Q290 | E286-K288 PolarHBondContact O-N 3.16Å; E286-K288 VanDerWaalsContact O-N 3.09Å; K288-Q290 PolarHBondContact O-N 2.86Å |
| 289 | T | 37.6 | Very low | 55.4 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | trans | -94.8 | 73.3 | 179.5 | 42.9 | 0 | 0 | 0 | 0 | 113.1 | E286 | E286-T289 PolarHBondContact O-N 2.82Å; E286-T289 PolarHBondContact O-OG1 2.88Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å | ||
| 290 | Q | 37.9 | Very low | 52.5 | Low | 195 Ų | 195 | 120.3 Ų | 120.3 | 91% | 0.911 | 63% | 0.634 | S | S | * | * | trans | -166.3 | 54.1 | 149.9 | -110.9 | 176.1 | 56 | 0 | 0 | 112 | K288 | K288-Q290 PolarHBondContact O-N 2.86Š| ||
| 291 | T | 33.8 | Very low | 49.5 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -103.6 | 120.6 | 157.2 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | A293 | T291-A293 PolarHBondContact O-N 3.31Š|
| 292 | T | 34 | Very low | 46.5 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -36.6 | 123.5 | 179.5 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 293 | A | 28.1 | Very low | 43.5 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | T291 Q295 | T291-A293 PolarHBondContact O-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.27Å |
| 294 | P | 33.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.4 | 172.3 | -16.8 | 28.7 | 0 | 0 | 0 | 109.1 | R296 | P294-R296 PolarHBondContact O-N 2.9Å; P294-R296 VanDerWaalsContact O-N 3.1Å |
| 295 | Q | 34.3 | Very low | 37.7 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120.2 | 169.6 | -81.1 | -174.5 | -23.6 | 0 | 0 | 109.3 | A293 R297 | A293-Q295 PolarHBondContact O-N 3.27Å; Q295-R297 PolarHBondContact O-N 2.85Å |
| 296 | R | 30 | Very low | 35.4 | Very low | 247 Ų | 247 | 167.2 Ų | 167.2 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -54.1 | 97.2 | 168.9 | -76.2 | 170.1 | 89.2 | -179.6 | 7.9 | 109.1 | P294 K298 | P294-R296 PolarHBondContact O-N 2.9Å; P294-R296 VanDerWaalsContact O-N 3.1Å; R296-K298 PolarHBondContact O-N 3.49Å | ||
| 297 | R | 33.3 | Very low | 33.4 | Very low | 243 Ų | 243 | 168.7 Ų | 168.7 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -69.1 | 111.2 | 162.7 | -87.9 | -176.6 | 163.9 | -179 | -3.3 | 107.8 | Q295 G299 | Q295-R297 PolarHBondContact O-N 2.85Å; R297-G299 PolarHBondContact O-N 2.93Å | ||
| 298 | K | 32 | Very low | 32.1 | Very low | 204 Ų | 204 | 174.2 Ų | 174.2 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | -52.2 | 123.8 | 170.6 | -75.5 | 179.8 | 175.1 | 177.2 | 0 | 109.3 | R296 | R296-K298 PolarHBondContact O-N 3.49Š| ||
| 299 | G | 28.5 | Very low | 31.1 | Very low | 78 Ų | 78 | 173 Ų | 173 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -59.6 | 133.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R297 | R297-G299 PolarHBondContact O-N 2.93Š| ||
| 300 | K | 32.1 | Very low | 30.6 | Very low | 207 Ų | 207 | 175.2 Ų | 175.2 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | trans | -108.9 | 127.5 | 157.2 | -90.5 | -175.6 | 175.6 | 178.4 | 0 | 108.4 | ||||
| 301 | S | 30.9 | Very low | 30 | Very low | 117 Ų | 117 | 170.5 Ų | 170.5 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -45.7 | 136.4 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 302 | G | 28.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 173.8 Ų | 173.8 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -66.2 | 147.7 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 303 | R | 29.4 | Very low | 29.5 | Very low | 250 Ų | 250 | 176 Ų | 176 | 94% | 0.943 | 84% | 0.84 | S | S | * | * | trans | -133.4 | 112.9 | 163.5 | -153 | 174.5 | -175.7 | 178.1 | 0.9 | 107.8 | ||||
| 304 | R | 28.9 | Very low | 29.5 | Very low | 249 Ų | 249 | 181.3 Ų | 181.3 | 94% | 0.94 | 85% | 0.846 | S | S | * | * | trans | -60.4 | 141.5 | 172.5 | -79.5 | 174.8 | 164.8 | 174.4 | -5 | 110.4 | ||||
| 305 | R | 28.8 | Very low | 29.3 | Very low | 239 Ų | 239 | 180.1 Ų | 180.1 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -145.3 | 129 | 147.3 | -137.4 | 175.5 | -178.3 | 170.4 | -1.2 | 110.2 | ||||
| 306 | R | 28.7 | Very low | 28.9 | Very low | 237 Ų | 237 | 178.7 Ų | 178.7 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -80.6 | 145.4 | 172.5 | -115.1 | 175.8 | 172.1 | 176.4 | -3.6 | 108.2 | ||||
| 307 | E | 29.2 | Very low | 28.9 | Very low | 188 Ų | 188 | 176.4 Ų | 176.4 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -161.2 | 136.9 | 141.2 | -112.2 | 158.7 | -154.9 | 0 | 0 | 111.6 | ||||
| 308 | Q | 26 | Very low | 28.8 | Very low | 177 Ų | 177 | 174.1 Ų | 174.1 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | -74.3 | 170 | 167.6 | -74.3 | 164.4 | -45.8 | 0 | 0 | 108.8 | ||||
| 309 | E | 26.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 172.2 Ų | 172.2 | 63% | 0.631 | 84% | 0.844 | S | S | * | * | cis | 178.8 | 154.9 | 39.6 | -140.9 | -177.6 | -169.5 | 0 | 0 | 109.1 | ||||
| 310 | K | 27.1 | Very low | 28.8 | Very low | 165 Ų | 165 | 177.8 Ų | 177.8 | 72% | 0.717 | 85% | 0.849 | S | S | * | * | trans | 57.7 | 154 | 149.9 | -75.5 | 162 | -169.2 | 156.5 | 0 | 120.1 | ||||
| 311 | S | 26.1 | Very low | 28.6 | Very low | 96 Ų | 96 | 172.4 Ų | 172.4 | 67% | 0.671 | 84% | 0.844 | S | S | * | * | cis | 178.6 | 145.2 | -8.9 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 312 | K | 28.8 | Very low | 28.6 | Very low | 197 Ų | 197 | 171.9 Ų | 171.9 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | trans | 55.4 | 142.4 | 158.4 | -71.8 | 176.4 | 175.8 | 177.9 | 0 | 117.2 | ||||
| 313 | Q | 28.8 | Very low | 28.6 | Very low | 185 Ų | 185 | 172.8 Ų | 172.8 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | cis | -172 | 158.3 | 45.3 | -139.8 | 164.3 | -4.3 | 0 | 0 | 109.3 | ||||
| 314 | K | 28.2 | Very low | 28.4 | Very low | 204 Ų | 204 | 170.2 Ų | 170.2 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -64.4 | 147.2 | 175.8 | -77.4 | 178.3 | 165.3 | -170.4 | 0 | 114.1 | ||||
| 315 | A | 28.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 165.7 Ų | 165.7 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | -163.1 | 140.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 316 | D | 27.5 | Very low | 28.2 | Very low | 156 Ų | 156 | 162.8 Ų | 162.8 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | -67 | 144.8 | -179.4 | -57.7 | -60.9 | 0 | 0 | 0 | 112.1 | ||||
| 317 | E | 29.2 | Very low | 28.1 | Very low | 198 Ų | 198 | 154.3 Ų | 154.3 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -162.4 | 129.7 | 144.7 | -110.9 | 165.9 | -163.4 | 0 | 0 | 109.3 | ||||
| 318 | E | 30.2 | Very low | 27.8 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -68.6 | 135.4 | 176.1 | -65.4 | 171 | 145.3 | 0 | 0 | 109.7 | ||||
| 319 | D | 28.4 | Very low | 27.9 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -155.7 | 129.4 | 153.2 | -122.3 | -20.1 | 0 | 0 | 0 | 111.7 | ||||
| 320 | E | 32.6 | Very low | 28 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -64 | 128.2 | 176.7 | -71.5 | 179.1 | 127.7 | 0 | 0 | 111.1 | ||||
| 321 | A | 28.1 | Very low | 28.1 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -152.2 | 120 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112 | A323 | A321-A323 PolarHBondContact O-N 2.78Š| ||
| 322 | A | 31.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 152.7 Ų | 152.7 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -52.8 | 114.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K324 | A322-K324 PolarHBondContact O-N 2.6Š| ||
| 323 | A | 27.1 | Very low | 28.7 | Very low | 101 Ų | 101 | 151.6 Ų | 151.6 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | -82 | 105.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A321 D325 | A321-A323 PolarHBondContact O-N 2.78Å; A323-D325 PolarHBondContact O-N 3.46Å | ||
| 324 | K | 26.6 | Very low | 29.2 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -56.7 | 115.6 | 162.3 | -74.7 | 175.2 | 175.6 | 176.9 | 0 | 108.5 | A322 Q326 | A322-K324 PolarHBondContact O-N 2.6Å; K324-Q326 PolarHBondContact O-N 2.96Å | ||
| 325 | D | 27.4 | Very low | 30.3 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -60.9 | 103.6 | 166.9 | -163.4 | 15.5 | 0 | 0 | 0 | 107.9 | A323 G327 | A323-D325 PolarHBondContact O-N 3.46Å; D325-G327 PolarHBondContact O-N 3.39Å | ||
| 326 | Q | 25.4 | Very low | 32.3 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 85.4 | 168.5 | -75.6 | -173.1 | 7.6 | 0 | 0 | 106.4 | K324 T328 | K324-Q326 PolarHBondContact O-N 2.96Å; Q326-T328 PolarHBondContact O-N 2.8Å | ||
| 327 | G | 26 | Very low | 35.2 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | -50.6 | 111.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | D325 | D325-G327 PolarHBondContact O-N 3.39Š| ||
| 328 | T | 24.4 | Very low | 38.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -52.3 | 127.8 | 157.6 | 40.3 | 0 | 0 | 0 | 0 | 107.4 | Q326 T330 | Q326-T328 PolarHBondContact O-N 2.8Å; T328-T330 PolarHBondContact O-N 2.78Å | ||
| 329 | P | 27.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 106 | 178.3 | 27 | -30.3 | 0 | 0 | 0 | 107.2 | E331 | P329-E331 PolarHBondContact O-N 2.9Š| ||
| 330 | T | 29.2 | Very low | 44.4 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -54.6 | 120.7 | 160.3 | 41.9 | 0 | 0 | 0 | 0 | 106.3 | T328 E332 | T328-T330 PolarHBondContact O-N 2.78Å; T330-E332 PolarHBondContact O-N 2.87Å | ||
| 331 | E | 29.7 | Very low | 47.4 | Very low | 185 Ų | 185 | 113.1 Ų | 113.1 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -47.7 | 115.7 | 171.9 | -68 | -177.8 | 156.7 | 0 | 0 | 107.8 | P329 E333 | P329-E331 PolarHBondContact O-N 2.9Å; E331-E333 PolarHBondContact O-N 2.84Å | ||
| 332 | E | 28.9 | Very low | 50.7 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 83% | 0.827 | 64% | 0.64 | S | S | * | * | trans | -54.6 | 110.7 | 176.8 | -71.9 | 177.2 | 162.2 | 0 | 0 | 107.8 | T330 T334 | T330-E332 PolarHBondContact O-N 2.87Å; E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 2.93Å | ||
| 333 | E | 38.3 | Very low | 53.7 | Low | 173 Ų | 173 | 109.6 Ų | 109.6 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -55.5 | 102.3 | 167.5 | -78.3 | -176.2 | 156.9 | 0 | 0 | 107.4 | E331 T335 | E331-E333 PolarHBondContact O-N 2.84Å; E333-T335 PolarHBondContact O-N 3.16Å | ||
| 334 | T | 38.3 | Very low | 57 | Low | 119 Ų | 119 | 105.9 Ų | 105.9 | 73% | 0.73 | 60% | 0.597 | S | S | * | * | trans | -75.4 | 47.3 | 177.9 | 41.8 | 0 | 0 | 0 | 0 | 111 | E332 | E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 2.93Å | ||
| 335 | T | 52.5 | Low | 60.3 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | trans | -106 | 100.2 | 165.9 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | E333 G337 | E333-T335 PolarHBondContact O-N 3.16Å; T335-G337 PolarHBondContact O-N 3.41Å | ||
| 336 | S | 69.6 | Low | 63.5 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | trans | -58.3 | 126 | 168.4 | 55.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 337 | G | 87.5 | Confident | 66.9 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 47% | 0.474 | 55% | 0.549 | S | S | . | . | trans | -57.5 | -178.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T335 K339 | T335-G337 PolarHBondContact O-N 3.41Å; G337-K339 PolarHBondContact O-N 2.88Å | ||
| 338 | P | 93.9 | Very high | 70.3 | Confident | 56 Ų | 56 | 89.5 Ų | 89.5 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -60.1 | 141.7 | -175.8 | 27.1 | -34.1 | 0 | 0 | 0 | 110.8 | A273 L274 W275 L340 | A273-P338 HydrophobicContact CB-CB 4.03Å; L274-P338 CarbonylContact O-C 3.53Å; L274-P338 WeakPolarHBondContact O-CA 3.31Å; W275-P338 HydrophobicContact CD2-CB 4.12Å; W275-P338 HydrophobicContact CE3-CB 4.18Å; W275-P338 HydrophobicContact CH2-CB 4.13Å; W275-P338 HydrophobicContact CH2-CG 4.15Å; W275-P338 HydrophobicContact CZ2-CB 4.02Å; W275-P338 HydrophobicContact CZ2-CG 4.32Å; W275-P338 HydrophobicContact CZ3-CB 4.21Å; W275-P338 HydrophobicContact CZ3-CG 4.44Å; P338-L340 VanDerWaalsContact C-N 3.29Å | ||
| 339 | K | 94.6 | Very high | 73.8 | Confident | 115 Ų | 115 | 86.3 Ų | 86.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -70.1 | -31.8 | 175.8 | -65.7 | -64.2 | -172.2 | 179.7 | 0 | 111.8 | W262 L274 D276 G337 | W262-K339 HydrophobicContact CH2-CB 4.04Å; W262-K339 HydrophobicContact CH2-CG 3.74Å; W262-K339 HydrophobicContact CZ3-CB 3.9Å; W262-K339 HydrophobicContact CZ3-CG 3.77Å; L274-K339 PolarHBondContact O-N 3.32Å; D276-K339 HydrophobicContact CB-CD 4.44Å; D276-K339 HydrophobicContact CB-CG 3.88Å; G337-K339 PolarHBondContact O-N 2.88Å |
| 340 | L | 94.3 | Very high | 77.2 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 19% | 0.194 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 138.9 | 174.6 | 176.6 | 66.1 | 0 | 0 | 0 | 108.5 | A273 L274 P338 I342 L376 | A273-L340 WeakPolarHBondContact CA-O 3.24Å; L274-L340 HydrophobicContact CB-CB 4.11Å; L274-L340 HydrophobicContact CD2-CB 4.41Å; L274-L340 PolarHBondContact N-O 2.86Å; L274-L340 PolarHBondContact O-N 2.74Å; P338-L340 VanDerWaalsContact C-N 3.29Å; L340-I342 HydrophobicContact CD2-CD1 4.06Å; L340-I342 HydrophobicContact CD2-CG1 4.17Å; L340-I342 HydrophobicContact CG-CD1 4.49Å; L340-I342 HydrophobicContact CG-CG1 4.07Å; L340-L376 HydrophobicContact CD2-CD2 4.22Å |
| 341 | S | 95.4 | Very high | 80.4 | Confident | 67 Ų | 67 | 77 Ų | 77 | 47% | 0.469 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.5 | 171.9 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 342 | I | 96 | Very high | 83.7 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.2 | -177 | -55.3 | 174.7 | 0 | 0 | 0 | 107.2 | V272 L340 H344 Y374 | V272-I342 HydrophobicContact CB-CB 4.28Å; V272-I342 PolarHBondContact N-O 3.22Å; V272-I342 PolarHBondContact O-N 2.9Å; L340-I342 HydrophobicContact CD2-CD1 4.06Å; L340-I342 HydrophobicContact CD2-CG1 4.17Å; L340-I342 HydrophobicContact CG-CD1 4.49Å; L340-I342 HydrophobicContact CG-CG1 4.07Å; I342-H344 PolarHBondContact O-N 2.96Å; I342-Y374 HydrophobicContact CD1-CD1 4.19Å; I342-Y374 HydrophobicContact CD1-CG 3.97Å; I342-Y374 HydrophobicContact CG2-CD1 3.75Å; I342-Y374 HydrophobicContact CG2-CD2 4.5Å; I342-Y374 HydrophobicContact CG2-CE1 3.52Å; I342-Y374 HydrophobicContact CG2-CE2 4.31Å; I342-Y374 HydrophobicContact CG2-CG 4.23Å |
| 343 | S | 96.1 | Very high | 86.9 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106 | 170 | -170.1 | 0 | 0 | 0 | 0 | 109 | ||
| 344 | H | 96.5 | Very high | 89.5 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | trans | -81.8 | -37.4 | 176.8 | -176 | 49.4 | 0 | 0 | 0 | 111.1 | G270 V272 I342 D346 V348 V364 D366 Y374 | G270-H344 WeakPolarHBondContact O-CA 3.49Å; G270-H344 VanDerWaalsContact O-CB 3.31Å; G270-H344 WeakPolarHBondContact O-CB 3.37Å; G270-H344 PolarHBondContact O-N 2.83Å; V272-H344 HydrophobicContact CG2-CB 4.47Å; I342-H344 PolarHBondContact O-N 2.96Å; H344-D346 PolarHBondContact CD2-O 2.9Å; H344-V348 HydrophobicContact CB-CG2 4.35Å; H344-V364 WeakPolarHBondContact NE2-CG1 3.49Å; H344-D366 IonicContact CE1-OD2 2.95Å; H344-D366 PolarHBondContact CE1-OD2 3.07Å; H344-D366 WeakPolarHBondContact NE2-CB 3.33Å; H344-D366 IonicContact NE2-OD2 3.93Å; H344-D366 PolarHBondContact NE2-OD2 3.37Å; H344-Y374 AromaticContact ND1-CE2 3.79Å; H344-Y374 AromaticContact ND1-CZ 3.78Å; H344-Y374 PolarHBondContact ND1-OH 3.1Å | ||
| 345 | G | 94.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 102.4 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G270 | G270-G345 PolarHBondContact O-N 3.35Š|
| 346 | D | 96 | Very high | 94 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -102.9 | 161.7 | 174.5 | -72.8 | -56.4 | 0 | 0 | 0 | 111.8 | G270 H344 V348 D366 | G270-D346 WeakPolarHBondContact CA-O 3.46Å; H344-D346 PolarHBondContact CD2-O 2.9Å; D346-V348 PolarHBondContact O-N 2.84Å; D346-D366 HydrophobicContact CB-CB 4.02Å |
| 347 | K | 96.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | trans | -58.9 | 130.4 | 178.9 | -56.6 | -169.1 | -174.9 | 172.5 | 0 | 109.9 | N268 N349 D366 | N268-K347 HydrophobicContact CB-CD 4.28Å; K347-N349 PolarHBondContact O-N 3.34Å; K347-D366 WeakPolarHBondContact O-CA 3.49Å; K347-D366 WeakPolarHBondContact O-CB 3.11Å | ||
| 348 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -81.5 | 111.8 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 108.4 | S249 G267 V272 H344 D346 L351 V364 | S249-V348 VanDerWaalsContact CB-O 3.3Å; S249-V348 WeakPolarHBondContact CB-O 3.44Å; S249-V348 PolarHBondContact OG-O 3.18Å; G267-V348 PolarHBondContact O-N 3.01Å; V272-V348 HydrophobicContact CG2-CG2 3.73Å; H344-V348 HydrophobicContact CB-CG2 4.35Å; D346-V348 PolarHBondContact O-N 2.84Å; V348-L351 HydrophobicContact CG1-CD1 4.32Å; V348-L351 HydrophobicContact CG1-CD2 3.61Å; V348-L351 HydrophobicContact CG1-CG 3.65Å; V348-V364 HydrophobicContact CG1-CG1 3.98Å; V348-V364 HydrophobicContact CG2-CG1 4.1Å | ||
| 349 | N | 96.4 | Very high | 94.7 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | trans | -90.2 | -41.7 | 179.7 | -69.6 | -16.2 | 0 | 0 | 0 | 111.2 | Q250 K347 A365 D366 | Q250-N349 WeakPolarHBondContact CG-O 3.24Å; Q250-N349 PolarHBondContact NE2-O 3.01Å; K347-N349 PolarHBondContact O-N 3.34Å; N349-A365 PolarHBondContact N-O 2.97Å; N349-D366 VanDerWaalsContact ND2-C 3.34Å; N349-D366 PolarHBondContact ND2-O 3.41Å; N349-D366 VanDerWaalsContact ND2-O 3.14Å | ||
| 350 | W | 98.3 | Very high | 94.6 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145 | -180 | -155.9 | -87.7 | 0 | 0 | 0 | 112.5 | C15 V16 Q250 A365 | C15-W350 HydrophobicContact CB-CD2 4.15Å; C15-W350 HydrophobicContact CB-CE3 4.2Å; C15-W350 HydrophobicContact CB-CH2 4.26Å; C15-W350 HydrophobicContact CB-CZ2 4.19Å; C15-W350 HydrophobicContact CB-CZ3 4.26Å; V16-W350 PolarHBondContact O-NE1 2.84Å; Q250-W350 VanDerWaalsContact NE2-CD2 3.35Å; W350-A365 HydrophobicContact CB-CB 4Å; W350-A365 PolarHBondContact N-O 2.8Å; W350-A365 PolarHBondContact O-N 3.44Å |
| 351 | L | 97.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.6 | 174.3 | -73.4 | -175.6 | 0 | 0 | 0 | 110.3 | Q250 H252 V264 V272 V348 V362 I363 V364 | Q250-L351 HydrophobicContact CB-CB 3.98Å; Q250-L351 HydrophobicContact CB-CD1 3.97Å; Q250-L351 HydrophobicContact CB-CG 3.94Å; Q250-L351 HydrophobicContact CG-CB 4.38Å; Q250-L351 HydrophobicContact CG-CG 4.44Å; H252-L351 PolarHBondContact CD2-O 2.78Å; H252-L351 VanDerWaalsContact CD2-O 3.29Å; H252-L351 PolarHBondContact NE2-O 3.37Å; V264-L351 HydrophobicContact CG1-CD1 4.49Å; V264-L351 HydrophobicContact CG2-CD1 4.17Å; V272-L351 HydrophobicContact CG1-CD2 4.32Å; V272-L351 HydrophobicContact CG2-CD2 4.07Å; V348-L351 HydrophobicContact CG1-CD1 4.32Å; V348-L351 HydrophobicContact CG1-CD2 3.61Å; V348-L351 HydrophobicContact CG1-CG 3.65Å; L351-V362 HydrophobicContact CD2-CG2 3.89Å; L351-I363 WeakPolarHBondContact CA-O 3.44Å; L351-V364 HydrophobicContact CD2-CB 4.24Å; L351-V364 HydrophobicContact CD2-CG1 4.12Å; L351-V364 HydrophobicContact CD2-CG2 3.66Å |
| 352 | C | 97.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 96.5 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | V16 A18 A354 I363 | V16-C352 HydrophobicContact CB-CB 3.84Å; V16-C352 HydrophobicContact CG1-CB 3.73Å; A18-C352 VanDerWaalsContact CB-SG 3.59Å; C352-A354 PolarHBondContact O-N 2.79Å; C352-I363 HydrophobicContact CB-CB 4.26Å; C352-I363 PolarHBondContact N-O 2.83Å; C352-I363 PolarHBondContact O-N 3.33Å |
| 353 | P | 96.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 16% | 0.156 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.8 | 169.6 | 27.5 | -32.3 | 0 | 0 | 0 | 110.1 | H252 I254 F256 V264 S361 | H252-P353 HydrophobicContact CB-CG 3.86Å; I254-P353 HydrophobicContact CD1-CB 4.22Å; I254-P353 HydrophobicContact CG1-CB 3.9Å; I254-P353 HydrophobicContact CG1-CG 4.33Å; F256-P353 HydrophobicContact CE1-CB 4.43Å; F256-P353 HydrophobicContact CZ-CB 4.03Å; V264-P353 HydrophobicContact CG1-CB 4.3Å; V264-P353 HydrophobicContact CG1-CG 4.27Å; P353-S361 WeakPolarHBondContact CA-O 3.36Å |
| 354 | A | 94.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A18 I26 C352 L356 S361 I363 | A18-A354 HydrophobicContact CB-CB 3.73Å; I26-A354 HydrophobicContact CD1-CB 4.27Å; C352-A354 PolarHBondContact O-N 2.79Å; A354-L356 HydrophobicContact CB-CD2 4.26Å; A354-L356 HydrophobicContact CB-CG 4.42Å; A354-S361 PolarHBondContact N-O 2.86Å; A354-S361 PolarHBondContact O-N 2.73Å; A354-I363 HydrophobicContact CB-CD1 4.4Å |
| 355 | V | 92.5 | Very high | 95 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 39% | 0.394 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 109.7 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | F256 | F256-V355 HydrophobicContact CB-CG2 4.05Å; F256-V355 HydrophobicContact CD1-CG2 3.93Å; F256-V355 HydrophobicContact CD2-CG2 3.49Å; F256-V355 VanDerWaalsContact CD2-CG2 3.49Å; F256-V355 HydrophobicContact CE1-CG2 4.21Å; F256-V355 HydrophobicContact CE2-CG2 3.8Å; F256-V355 HydrophobicContact CG-CG2 3.55Å; F256-V355 HydrophobicContact CZ-CG2 4.15Å |
| 356 | L | 91.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121 | -179.6 | -58.6 | 179.8 | 0 | 0 | 0 | 108.7 | W5 I26 R40 A354 G358 E359 I363 V373 | W5-L356 HydrophobicContact CH2-CD1 4.01Å; W5-L356 HydrophobicContact CH2-CD2 4.48Å; W5-L356 HydrophobicContact CZ2-CD1 4.08Å; I26-L356 HydrophobicContact CD1-CD2 4.07Å; I26-L356 HydrophobicContact CG1-CD2 4.24Å; R40-L356 HydrophobicContact CB-CD2 3.94Å; A354-L356 HydrophobicContact CB-CD2 4.26Å; A354-L356 HydrophobicContact CB-CG 4.42Å; L356-G358 PolarHBondContact O-N 3.31Å; L356-G358 VanDerWaalsContact O-N 3.14Å; L356-E359 PolarHBondContact N-O 2.69Å; L356-E359 PolarHBondContact O-N 3.01Å; L356-I363 HydrophobicContact CD1-CD1 4.33Å; L356-I363 HydrophobicContact CD1-CG1 4.33Å; L356-V373 HydrophobicContact CD1-CG1 3.52Å |
| 357 | K | 87.9 | Confident | 95 | Very high | 130 Ų | 130 | 36.2 Ų | 36.2 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.8 | -178 | -55.6 | 174.7 | -178.9 | 175.2 | 0 | 114 | R40 E41 E359 | R40-K357 HydrophobicContact CG-CG 4.09Å; E41-K357 VanDerWaalsContact CG-CE 3.44Å; E41-K357 WeakPolarHBondContact OE1-CE 3.15Å; K357-E359 VanDerWaalsContact C-N 3.28Å |
| 358 | G | 87.2 | Confident | 94.9 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 67% | 0.67 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83 | -0.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L356 | L356-G358 PolarHBondContact O-N 3.31Å; L356-G358 VanDerWaalsContact O-N 3.14Å |
| 359 | E | 90.6 | Very high | 94.9 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.6 | 177.6 | -63.9 | -173.6 | 176.4 | 0 | 0 | 111.1 | L356 K357 S361 | L356-E359 PolarHBondContact N-O 2.69Å; L356-E359 PolarHBondContact O-N 3.01Å; K357-E359 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 2.84Å; E359-S361 PolarHBondContact O-OG 3Å |
| 360 | P | 93.3 | Very high | 95 | Very high | 34 Ų | 34 | 35 Ų | 35 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 128.3 | 167.9 | -28.4 | 38 | 0 | 0 | 0 | 110.9 | F256 L257 L376 | F256-P360 HydrophobicContact CD2-CB 4.26Å; F256-P360 HydrophobicContact CD2-CG 4.38Å; F256-P360 HydrophobicContact CE2-CB 3.89Å; F256-P360 HydrophobicContact CE2-CG 4.48Å; L257-P360 HydrophobicContact CD2-CB 3.87Å; L257-P360 HydrophobicContact CD2-CG 3.84Å; P360-L376 HydrophobicContact CB-CB 4.15Å; P360-L376 WeakPolarHBondContact O-CB 3.41Å; P360-L376 PolarHBondContact O-N 2.78Å |
| 361 | S | 95.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 158.9 | -179.6 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | P353 A354 E359 Y374 | P353-S361 WeakPolarHBondContact CA-O 3.36Å; A354-S361 PolarHBondContact N-O 2.86Å; A354-S361 PolarHBondContact O-N 2.73Å; E359-S361 PolarHBondContact O-N 2.84Å; E359-S361 PolarHBondContact O-OG 3Å; S361-Y374 CarbonylContact C-O 3.49Å; S361-Y374 WeakPolarHBondContact CA-O 3.34Å |
| 362 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.5 | 167.1 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | V264 V272 L351 V364 V373 Y374 L376 | V264-V362 HydrophobicContact CG1-CG2 4.4Å; V264-V362 HydrophobicContact CG2-CG2 4.12Å; V272-V362 HydrophobicContact CG1-CG1 4.27Å; L351-V362 HydrophobicContact CD2-CG2 3.89Å; V362-V364 HydrophobicContact CG2-CG2 4.48Å; V362-V373 WeakPolarHBondContact O-CA 3.47Å; V362-Y374 HydrophobicContact CG1-CD2 4.43Å; V362-Y374 PolarHBondContact N-O 3.11Å; V362-Y374 PolarHBondContact O-N 3.4Å; V362-L376 HydrophobicContact CG1-CD2 4.11Å |
| 363 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.4 | 173.6 | -49.7 | 175.7 | 0 | 0 | 0 | 107.4 | W5 V16 I26 L351 C352 A354 L356 L371 V373 | W5-I363 HydrophobicContact CH2-CD1 4.5Å; W5-I363 HydrophobicContact CZ3-CD1 4.39Å; V16-I363 HydrophobicContact CG1-CG2 4.1Å; I26-I363 HydrophobicContact CB-CD1 4.38Å; I26-I363 HydrophobicContact CD1-CD1 3.49Å; I26-I363 VanDerWaalsContact CD1-CD1 3.49Å; I26-I363 HydrophobicContact CG1-CD1 3.65Å; I26-I363 HydrophobicContact CG2-CD1 3.82Å; L351-I363 WeakPolarHBondContact CA-O 3.44Å; C352-I363 HydrophobicContact CB-CB 4.26Å; C352-I363 PolarHBondContact N-O 2.83Å; C352-I363 PolarHBondContact O-N 3.33Å; A354-I363 HydrophobicContact CB-CD1 4.4Å; L356-I363 HydrophobicContact CD1-CD1 4.33Å; L356-I363 HydrophobicContact CD1-CG1 4.33Å; I363-L371 HydrophobicContact CG2-CB 4.06Å; I363-L371 HydrophobicContact CG2-CD1 4.22Å; I363-L371 HydrophobicContact CG2-CD2 4.17Å; I363-L371 HydrophobicContact CG2-CG 4.4Å; I363-V373 HydrophobicContact CG1-CG1 4.49Å; I363-V373 HydrophobicContact CG1-CG2 4.08Å; I363-V373 HydrophobicContact CG2-CG2 4.23Å |
| 364 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.4 | -175.6 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | V272 H344 V348 L351 V362 T372 Y374 | V272-V364 HydrophobicContact CG2-CG1 4.42Å; V272-V364 HydrophobicContact CG2-CG2 4.01Å; H344-V364 WeakPolarHBondContact NE2-CG1 3.49Å; V348-V364 HydrophobicContact CG1-CG1 3.98Å; V348-V364 HydrophobicContact CG2-CG1 4.1Å; L351-V364 HydrophobicContact CD2-CB 4.24Å; L351-V364 HydrophobicContact CD2-CG1 4.12Å; L351-V364 HydrophobicContact CD2-CG2 3.66Å; V362-V364 HydrophobicContact CG2-CG2 4.48Å; V364-T372 PolarHBondContact N-O 2.94Å; V364-T372 PolarHBondContact O-N 3.08Å; V364-Y374 HydrophobicContact CB-CE2 4.35Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 3.72Å |
| 365 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | I13 V16 N349 W350 L371 | I13-A365 HydrophobicContact CB-CB 3.97Å; I13-A365 HydrophobicContact CG2-CB 3.73Å; V16-A365 HydrophobicContact CG2-CB 3.98Å; N349-A365 PolarHBondContact N-O 2.97Å; W350-A365 HydrophobicContact CB-CB 4Å; W350-A365 PolarHBondContact N-O 2.8Å; W350-A365 PolarHBondContact O-N 3.44Å; A365-L371 HydrophobicContact CB-CD2 3.9Å |
| 366 | D | 96.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | trans | -110.7 | -155.1 | 174.9 | 54.7 | 25.8 | 0 | 0 | 0 | 109.5 | H344 D346 K347 N349 S368 | H344-D366 IonicContact CE1-OD2 2.95Å; H344-D366 PolarHBondContact CE1-OD2 3.07Å; H344-D366 WeakPolarHBondContact NE2-CB 3.33Å; H344-D366 IonicContact NE2-OD2 3.93Å; H344-D366 PolarHBondContact NE2-OD2 3.37Å; D346-D366 HydrophobicContact CB-CB 4.02Å; K347-D366 WeakPolarHBondContact O-CA 3.49Å; K347-D366 WeakPolarHBondContact O-CB 3.11Å; N349-D366 VanDerWaalsContact ND2-C 3.34Å; N349-D366 PolarHBondContact ND2-O 3.41Å; N349-D366 VanDerWaalsContact ND2-O 3.14Å; D366-S368 PolarHBondContact O-N 3.37Å; D366-S368 WeakPolarHBondContact OD1-CA 3.25Å; D366-S368 WeakPolarHBondContact OD1-CB 3.34Å; D366-S368 PolarHBondContact OD1-N 2.81Å; D366-S368 PolarHBondContact OD1-OG 3.14Å | ||
| 367 | Q | 93.3 | Very high | 94 | Very high | 106 Ų | 106 | 35.8 Ų | 35.8 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -75.4 | -7.6 | 176.4 | -68.7 | 170.4 | 40.1 | 0 | 0 | 113.1 | S12 | S12-Q367 VanDerWaalsContact OG-C 3.3Å; S12-Q367 WeakPolarHBondContact OG-CA 3.46Å; S12-Q367 PolarHBondContact OG-O 3.13Å |
| 368 | S | 95.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -81.4 | 176.4 | -179.4 | 83.6 | 0 | 0 | 0 | 0 | 112.6 | I13 D366 N370 | I13-S368 PolarHBondContact N-O 3.39Å; D366-S368 PolarHBondContact O-N 3.37Å; D366-S368 WeakPolarHBondContact OD1-CA 3.25Å; D366-S368 WeakPolarHBondContact OD1-CB 3.34Å; D366-S368 PolarHBondContact OD1-N 2.81Å; D366-S368 PolarHBondContact OD1-OG 3.14Å; S368-N370 PolarHBondContact O-N 3.43Å; S368-N370 PolarHBondContact OG-N 2.8Å; S368-N370 VanDerWaalsContact OG-N 3.16Å |
| 369 | T | 97.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -87.9 | 9.8 | 175.5 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | H9 S11 | H9-T369 WeakPolarHBondContact O-CB 3.48Å; S11-T369 WeakPolarHBondContact O-CG2 3.15Å |
| 370 | N | 97.3 | Very high | 91.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -120.8 | 154.5 | -170.9 | -55.1 | -56.7 | 0 | 0 | 0 | 111.4 | L4 W5 S6 S368 | L4-N370 HydrophobicContact CD1-CB 3.59Å; L4-N370 HydrophobicContact CG-CB 4.12Å; W5-N370 WeakPolarHBondContact O-CA 3.39Å; S6-N370 VanDerWaalsContact CA-OD1 3.24Å; S6-N370 WeakPolarHBondContact CA-OD1 3.43Å; S6-N370 WeakPolarHBondContact CB-OD1 3.25Å; S368-N370 PolarHBondContact O-N 3.43Å; S368-N370 PolarHBondContact OG-N 2.8Å; S368-N370 VanDerWaalsContact OG-N 3.16Å |
| 371 | L | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.1 | 168.9 | -62 | 174.6 | 0 | 0 | 0 | 109.6 | L4 W5 I13 V16 W38 I363 A365 | L4-L371 CarbonylContact C-O 3.53Å; W5-L371 HydrophobicContact CB-CB 4.24Å; W5-L371 HydrophobicContact CE3-CD1 4.15Å; W5-L371 PolarHBondContact N-O 3.48Å; W5-L371 PolarHBondContact O-N 3.12Å; I13-L371 HydrophobicContact CD1-CD2 3.57Å; I13-L371 HydrophobicContact CD1-CG 3.7Å; I13-L371 HydrophobicContact CG2-CD2 4.05Å; V16-L371 HydrophobicContact CG2-CD2 3.54Å; W38-L371 HydrophobicContact CZ2-CD1 4.21Å; I363-L371 HydrophobicContact CG2-CB 4.06Å; I363-L371 HydrophobicContact CG2-CD1 4.22Å; I363-L371 HydrophobicContact CG2-CD2 4.17Å; I363-L371 HydrophobicContact CG2-CG 4.4Å; A365-L371 HydrophobicContact CB-CD2 3.9Å |
| 372 | T | 98.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.1 | 171 | -58.2 | 0 | 0 | 0 | 0 | 110 | V364 Y374 | V364-T372 PolarHBondContact N-O 2.94Å; V364-T372 PolarHBondContact O-N 3.08Å; T372-Y374 HydrophobicContact CG2-CD2 4.18Å; T372-Y374 HydrophobicContact CG2-CE1 4.13Å; T372-Y374 HydrophobicContact CG2-CE2 3.5Å; T372-Y374 VanDerWaalsContact CG2-CZ 3.48Å |
| 373 | V | 97.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.5 | -179.4 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | G2 S3 W5 L356 V362 I363 | G2-V373 CarbonylContact C-O 3.56Å; G2-V373 WeakPolarHBondContact CA-O 3.33Å; S3-V373 PolarHBondContact N-O 2.9Å; S3-V373 PolarHBondContact O-N 3.05Å; W5-V373 HydrophobicContact CD2-CG2 3.8Å; W5-V373 VanDerWaalsContact CE2-CG2 3.5Å; W5-V373 HydrophobicContact CE3-CG2 4.23Å; W5-V373 HydrophobicContact CG-CG2 4.38Å; W5-V373 HydrophobicContact CH2-CG2 4.13Å; W5-V373 HydrophobicContact CZ2-CG2 3.7Å; W5-V373 HydrophobicContact CZ3-CG2 4.38Å; L356-V373 HydrophobicContact CD1-CG1 3.52Å; V362-V373 WeakPolarHBondContact O-CA 3.47Å; I363-V373 HydrophobicContact CG1-CG1 4.49Å; I363-V373 HydrophobicContact CG1-CG2 4.08Å; I363-V373 HydrophobicContact CG2-CG2 4.23Å |
| 374 | Y | 96.6 | Very high | 90.3 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.5 | 174.9 | -62.2 | -80.7 | 0 | 0 | 0 | 110.4 | I342 H344 S361 V362 V364 T372 | I342-Y374 HydrophobicContact CD1-CD1 4.19Å; I342-Y374 HydrophobicContact CD1-CG 3.97Å; I342-Y374 HydrophobicContact CG2-CD1 3.75Å; I342-Y374 HydrophobicContact CG2-CD2 4.5Å; I342-Y374 HydrophobicContact CG2-CE1 3.52Å; I342-Y374 HydrophobicContact CG2-CE2 4.31Å; I342-Y374 HydrophobicContact CG2-CG 4.23Å; H344-Y374 AromaticContact ND1-CE2 3.79Å; H344-Y374 AromaticContact ND1-CZ 3.78Å; H344-Y374 PolarHBondContact ND1-OH 3.1Å; S361-Y374 CarbonylContact C-O 3.49Å; S361-Y374 WeakPolarHBondContact CA-O 3.34Å; V362-Y374 HydrophobicContact CG1-CD2 4.43Å; V362-Y374 PolarHBondContact N-O 3.11Å; V362-Y374 PolarHBondContact O-N 3.4Å; V364-Y374 HydrophobicContact CB-CE2 4.35Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 3.72Å; T372-Y374 HydrophobicContact CG2-CD2 4.18Å; T372-Y374 HydrophobicContact CG2-CE1 4.13Å; T372-Y374 HydrophobicContact CG2-CE2 3.5Å; T372-Y374 VanDerWaalsContact CG2-CZ 3.48Å |
| 375 | P | 93.8 | Very high | 89.8 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 137 | 169.4 | -20.6 | 32.6 | 0 | 0 | 0 | 110.8 | S377 | P375-S377 VanDerWaalsContact C-N 3.3Å |
| 376 | L | 89.6 | Confident | 89.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -96.8 | 23.7 | 176.1 | -57.2 | 179.2 | 0 | 0 | 0 | 111.7 | I254 L340 P360 V362 Q378 L379 | I254-L376 HydrophobicContact CD1-CD1 3.97Å; L340-L376 HydrophobicContact CD2-CD2 4.22Å; P360-L376 HydrophobicContact CB-CB 4.15Å; P360-L376 WeakPolarHBondContact O-CB 3.41Å; P360-L376 PolarHBondContact O-N 2.78Å; V362-L376 HydrophobicContact CG1-CD2 4.11Å; L376-Q378 PolarHBondContact O-N 3.41Å; L376-L379 HydrophobicContact CB-CD1 4Å; L376-L379 PolarHBondContact O-N 2.9Å | ||
| 377 | S | 74.6 | Confident | 88.6 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 58% | 0.58 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -3.1 | -176.2 | 50.6 | 0 | 0 | 0 | 0 | 115 | P375 L379 | P375-S377 VanDerWaalsContact C-N 3.3Å; S377-L379 VanDerWaalsContact C-N 3.34Å |
| 378 | Q | 62 | Low | 88.2 | Confident | 165 Ų | 165 | 48.2 Ų | 48.2 | 77% | 0.771 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 9.1 | 176.7 | -63.4 | -171.4 | -8.5 | 0 | 0 | 113.9 | L376 | L376-Q378 PolarHBondContact O-N 3.41Š|
| 379 | L | 58.5 | Low | 87.6 | Confident | 111 Ų | 111 | 49.3 Ų | 49.3 | 58% | 0.581 | 27% | 0.271 | S | S | * | . | trans | -90.3 | 0 | -179.9 | -77.1 | 171.9 | 0 | 0 | 0 | 114.8 | L257 W262 L274 L376 S377 | L257-L379 HydrophobicContact CD1-CD1 3.85Å; L257-L379 HydrophobicContact CD2-CD1 4.13Å; W262-L379 HydrophobicContact CH2-CD2 3.43Å; W262-L379 VanDerWaalsContact CH2-CD2 3.43Å; W262-L379 HydrophobicContact CZ2-CD2 4.18Å; W262-L379 HydrophobicContact CZ3-CD2 3.73Å; L274-L379 HydrophobicContact CD2-CD1 3.29Å; L274-L379 HydrophobicContact CD2-CD2 3.53Å; L274-L379 HydrophobicContact CD2-CG 3.73Å; L376-L379 HydrophobicContact CB-CD1 4Å; L376-L379 PolarHBondContact O-N 2.9Å; S377-L379 VanDerWaalsContact C-N 3.34Å |
Retrieved 379 of 379 residues in 577 ms
(Link to these results)