| 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 | 50.8 | Low | 73.7 | Confident | 221 Ų | 221 | 109.1 Ų | 109.1 | 100% | 1.089 | 54% | 0.542 | S | S | * | . | 0 | 151.1 | 0 | -71 | 168.1 | 171.1 | 0 | 0 | 108.2 | |||||
| 2 | T | 51 | Low | 74.9 | Confident | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | trans | -69.5 | 133 | 175 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | H4 W60 | T2-H4 PolarHBondContact O-N 2.79Å; T2-W60 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 3 | K | 63.2 | Low | 76.1 | Confident | 154 Ų | 154 | 98.4 Ų | 98.4 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -77.9 | 19.7 | 178.8 | -63.9 | -165.4 | 173.5 | -160.8 | 0 | 114 | ||
| 4 | H | 73.3 | Confident | 77.1 | Confident | 141 Ų | 141 | 100.6 Ų | 100.6 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -136 | 141.1 | -173.1 | -58.7 | -54.1 | 0 | 0 | 0 | 108.9 | T2 | T2-H4 PolarHBondContact O-N 2.79Š|
| 5 | P | 78.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 100.3 Ų | 100.3 | 28% | 0.279 | 51% | 0.511 | S | S | . | . | trans | -59.6 | 145.8 | 178.9 | -23.6 | 33.4 | 0 | 0 | 0 | 112.6 | F13 Y38 W60 | P5-F13 HydrophobicContact CB-CB 3.4Å; P5-F13 VanDerWaalsContact CB-CB 3.4Å; P5-F13 HydrophobicContact CB-CD2 3.96Å; P5-F13 HydrophobicContact CB-CG 3.79Å; P5-F13 HydrophobicContact CG-CB 3.94Å; P5-Y38 HydrophobicContact CG-CD1 4.32Å; P5-Y38 HydrophobicContact CG-CE1 3.76Å; P5-W60 HydrophobicContact CB-CE3 4.22Å; P5-W60 HydrophobicContact CB-CZ3 4.48Å; P5-W60 HydrophobicContact CG-CE3 4.18Å; P5-W60 HydrophobicContact CG-CZ3 4.03Å | ||
| 6 | P | 80.2 | Confident | 78.9 | Confident | 25 Ų | 25 | 96.6 Ų | 96.6 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | trans | -73.1 | 136.9 | -177.6 | 30.9 | -36.1 | 0 | 0 | 0 | 110.6 | R8 F13 W60 D61 | P6-R8 HydrophobicContact CB-CG 4.08Å; P6-R8 HydrophobicContact CG-CG 4.07Å; P6-R8 PolarHBondContact O-N 2.81Å; P6-F13 HydrophobicContact CG-CD2 4.37Å; P6-F13 HydrophobicContact CG-CE2 3.78Å; P6-F13 HydrophobicContact CG-CZ 4.14Å; P6-F13 WeakPolarHBondContact O-CD2 3.44Å; P6-F13 VanDerWaalsContact O-CE2 3.28Å; P6-F13 WeakPolarHBondContact O-CE2 3.05Å; P6-W60 HydrophobicContact CG-CB 4.12Å; P6-W60 HydrophobicContact CG-CG 4.01Å; P6-D61 VanDerWaalsContact CB-OD1 3.31Å; P6-D61 WeakPolarHBondContact CB-OD1 3.41Å; P6-D61 VanDerWaalsContact CG-OD1 3.31Å; P6-D61 WeakPolarHBondContact CG-OD1 3.15Å | ||
| 7 | N | 80.4 | Confident | 79.7 | Confident | 161 Ų | 161 | 91.6 Ų | 91.6 | 86% | 0.861 | 48% | 0.481 | S | S | * | . | trans | -74.4 | 75.8 | 176.5 | -171.6 | -8.7 | 0 | 0 | 0 | 111.1 | ||||
| 8 | R | 83.4 | Confident | 80.4 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 25% | 0.245 | 48% | 0.482 | C | S | . | . | trans | -91.7 | 107.8 | 178.3 | -64.5 | -179.3 | 62.7 | -171.2 | -2.4 | 109.4 | P6 G10 I11 F13 W60 S62 L65 | P6-R8 HydrophobicContact CB-CG 4.08Å; P6-R8 HydrophobicContact CG-CG 4.07Å; P6-R8 PolarHBondContact O-N 2.81Å; R8-G10 PolarHBondContact O-N 3.32Å; R8-G10 VanDerWaalsContact O-N 3.16Å; R8-I11 HydrophobicContact CB-CB 4.39Å; R8-I11 HydrophobicContact CB-CD1 4.34Å; R8-I11 HydrophobicContact CB-CG1 4.49Å; R8-I11 PolarHBondContact O-N 2.89Å; R8-F13 HydrophobicContact CB-CE2 4.11Å; R8-F13 HydrophobicContact CG-CE2 4.2Å; R8-W60 PolarHBondContact NH1-O 3.24Å; R8-S62 PolarHBondContact NH1-O 2.78Å; R8-L65 PolarHBondContact NH2-O 2.9Å | ||
| 9 | R | 81.1 | Confident | 81.1 | Confident | 234 Ų | 234 | 87.6 Ų | 87.6 | 88% | 0.883 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 120.8 | 178.6 | -77.5 | -172.8 | -85.9 | -137.2 | -3.5 | 111.8 | ||
| 10 | G | 80.7 | Confident | 81.8 | Confident | 44 Ų | 44 | 84.3 Ų | 84.3 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 1.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R8 P67 | R8-G10 PolarHBondContact O-N 3.32Å; R8-G10 VanDerWaalsContact O-N 3.16Å; G10-P67 VanDerWaalsContact O-CB 3.23Å; G10-P67 WeakPolarHBondContact O-CB 3.34Å |
| 11 | I | 88.6 | Confident | 82.4 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 8% | 0.077 | 42% | 0.418 | C | S | . | . | trans | -121.3 | 109.5 | 171.3 | -48.7 | -179.7 | 0 | 0 | 0 | 108.3 | R8 F13 L19 P67 | R8-I11 HydrophobicContact CB-CB 4.39Å; R8-I11 HydrophobicContact CB-CD1 4.34Å; R8-I11 HydrophobicContact CB-CG1 4.49Å; R8-I11 PolarHBondContact O-N 2.89Å; I11-F13 HydrophobicContact CB-CE2 4.11Å; I11-F13 HydrophobicContact CB-CZ 4.23Å; I11-F13 HydrophobicContact CG2-CD1 4.31Å; I11-F13 HydrophobicContact CG2-CD2 4.3Å; I11-F13 HydrophobicContact CG2-CE1 3.88Å; I11-F13 HydrophobicContact CG2-CE2 3.87Å; I11-F13 HydrophobicContact CG2-CZ 3.64Å; I11-L19 HydrophobicContact CG2-CD2 4.05Å; I11-P67 HydrophobicContact CG1-CG 3.89Å | ||
| 12 | S | 88.1 | Confident | 84.5 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | trans | -79.3 | 129.1 | 162.9 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | E14 A17 | S12-E14 PolarHBondContact O-N 3.32Å; S12-A17 WeakPolarHBondContact O-CB 3.4Å; S12-A17 WeakPolarHBondContact OG-CB 3.35Å | ||
| 13 | F | 90.7 | Very high | 86.3 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | trans | -96.2 | 70.3 | 177.5 | -74.5 | -73.3 | 0 | 0 | 0 | 109.8 | P5 P6 R8 I11 I33 I36 V43 W60 | P5-F13 HydrophobicContact CB-CB 3.4Å; P5-F13 VanDerWaalsContact CB-CB 3.4Å; P5-F13 HydrophobicContact CB-CD2 3.96Å; P5-F13 HydrophobicContact CB-CG 3.79Å; P5-F13 HydrophobicContact CG-CB 3.94Å; P6-F13 HydrophobicContact CG-CD2 4.37Å; P6-F13 HydrophobicContact CG-CE2 3.78Å; P6-F13 HydrophobicContact CG-CZ 4.14Å; P6-F13 WeakPolarHBondContact O-CD2 3.44Å; P6-F13 VanDerWaalsContact O-CE2 3.28Å; P6-F13 WeakPolarHBondContact O-CE2 3.05Å; R8-F13 HydrophobicContact CB-CE2 4.11Å; R8-F13 HydrophobicContact CG-CE2 4.2Å; I11-F13 HydrophobicContact CB-CE2 4.11Å; I11-F13 HydrophobicContact CB-CZ 4.23Å; I11-F13 HydrophobicContact CG2-CD1 4.31Å; I11-F13 HydrophobicContact CG2-CD2 4.3Å; I11-F13 HydrophobicContact CG2-CE1 3.88Å; I11-F13 HydrophobicContact CG2-CE2 3.87Å; I11-F13 HydrophobicContact CG2-CZ 3.64Å; F13-I33 HydrophobicContact CD1-CD1 4.03Å; F13-I36 VanDerWaalsContact C-CD1 3.49Å; F13-I36 VanDerWaalsContact O-CD1 3.26Å; F13-I36 WeakPolarHBondContact O-CD1 3.31Å; F13-V43 HydrophobicContact CD1-CG1 4Å; F13-V43 HydrophobicContact CE1-CG1 4.41Å; F13-W60 HydrophobicContact CD1-CB 4Å; F13-W60 HydrophobicContact CE1-CB 3.61Å; F13-W60 HydrophobicContact CZ-CB 4.01Å; F13-W60 VanDerWaalsContact CZ-O 3.28Å; F13-W60 WeakPolarHBondContact CZ-O 3.45Å | ||
| 14 | E | 90.1 | Very high | 87.3 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 61% | 0.607 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -131.2 | 145.9 | -179 | -67.2 | 168.2 | -155.8 | 0 | 0 | 109.2 | S12 G16 A17 I33 | S12-E14 PolarHBondContact O-N 3.32Å; E14-G16 PolarHBondContact O-N 2.79Å; E14-A17 HydrophobicContact CB-CB 4.34Å; E14-A17 WeakPolarHBondContact O-CB 3.12Å; E14-A17 PolarHBondContact O-N 3.13Å; E14-I33 WeakPolarHBondContact O-CB 3.34Å |
| 15 | V | 91.8 | Very high | 87.7 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 58% | 0.582 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 128.5 | 175 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | E34 I36 | V15-E34 WeakPolarHBondContact CG1-O 3.3Å; V15-I36 HydrophobicContact CG2-CD1 4.36Å; V15-I36 HydrophobicContact CG2-CG1 3.98Å |
| 16 | G | 90.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 75 Ų | 75 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -9.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E14 I33 | E14-G16 PolarHBondContact O-N 2.79Å; G16-I33 WeakPolarHBondContact CA-O 3.26Å; G16-I33 PolarHBondContact N-O 3.14Å |
| 17 | A | 92.4 | Very high | 88.5 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | trans | -62.9 | 138.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 E14 H32 I33 | S12-A17 WeakPolarHBondContact O-CB 3.4Å; S12-A17 WeakPolarHBondContact OG-CB 3.35Å; E14-A17 HydrophobicContact CB-CB 4.34Å; E14-A17 WeakPolarHBondContact O-CB 3.12Å; E14-A17 PolarHBondContact O-N 3.13Å; A17-H32 CarbonylContact O-C 3.55Å; A17-H32 WeakPolarHBondContact O-CA 3.44Å; A17-H32 WeakPolarHBondContact O-CB 3.43Å; A17-I33 HydrophobicContact CB-CD1 4.21Å; A17-I33 PolarHBondContact O-N 2.78Å | ||
| 18 | Q | 93.5 | Very high | 89.2 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.1 | -177 | -64.1 | -178.1 | 43.9 | 0 | 0 | 111.2 | H32 L68 | Q18-H32 HydrophobicContact CG-CB 4.34Å; Q18-L68 HydrophobicContact CB-CD2 3.99Å |
| 19 | L | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | -177 | 179.9 | 58.3 | 74 | 0 | 0 | 0 | 110 | I11 A21 A31 I33 I45 L65 R66 | I11-L19 HydrophobicContact CG2-CD2 4.05Å; L19-A21 HydrophobicContact CD1-CB 4.02Å; L19-A31 HydrophobicContact CD1-CB 4.16Å; L19-A31 PolarHBondContact N-O 2.85Å; L19-A31 PolarHBondContact O-N 3.46Å; L19-I33 HydrophobicContact CD2-CD1 4.16Å; L19-I33 HydrophobicContact CD2-CG1 3.87Å; L19-I45 HydrophobicContact CD1-CD1 4.26Å; L19-I45 HydrophobicContact CD1-CG2 4.29Å; L19-I45 HydrophobicContact CD2-CD1 4Å; L19-L65 HydrophobicContact CD1-CD2 4.01Å; L19-L65 HydrophobicContact CD2-CD2 4.49Å; L19-R66 WeakPolarHBondContact CB-O 3.02Å |
| 20 | E | 94.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.7 | 165.4 | -82.4 | 173.1 | -137.9 | 0 | 0 | 110.7 | W28 Y29 R66 L68 E69 | E20-W28 HydrophobicContact CB-CE3 4.28Å; E20-W28 WeakPolarHBondContact O-CZ3 3.19Å; E20-Y29 WeakPolarHBondContact CA-O 3.45Å; E20-R66 HydrophobicContact CB-CG 3.69Å; E20-R66 PolarHBondContact N-O 2.89Å; E20-R66 PolarHBondContact O-N 3.42Å; E20-R66 IonicContact OE1-NH2 3.31Å; E20-R66 IonicContact OE2-CZ 3.94Å; E20-R66 IonicContact OE2-NE 2.64Å; E20-R66 PolarHBondContact OE2-NE 2.81Å; E20-R66 IonicContact OE2-NH2 2.62Å; E20-R66 PolarHBondContact OE2-NH2 2.81Å; E20-L68 HydrophobicContact CG-CD1 3.89Å; E20-E69 WeakPolarHBondContact OE1-CB 3.5Å; E20-E69 PolarHBondContact OE1-N 3.39Å |
| 21 | A | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L19 Y29 A31 I45 F47 Y64 L65 | L19-A21 HydrophobicContact CD1-CB 4.02Å; A21-Y29 PolarHBondContact N-O 3.22Å; A21-Y29 PolarHBondContact O-N 2.89Å; A21-A31 HydrophobicContact CB-CB 4.03Å; A21-I45 HydrophobicContact CB-CG2 3.66Å; A21-F47 HydrophobicContact CB-CD1 4.43Å; A21-F47 HydrophobicContact CB-CE1 3.66Å; A21-F47 HydrophobicContact CB-CZ 4.09Å; A21-Y64 CarbonylContact C-O 3.57Å; A21-Y64 VanDerWaalsContact CA-O 3.29Å; A21-Y64 WeakPolarHBondContact CA-O 3.39Å; A21-L65 HydrophobicContact CB-CD2 3.92Å |
| 22 | R | 93.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.8 | -178.1 | -155.2 | -174.9 | -171 | -177.4 | 0.9 | 110.8 | K26 N27 W28 Y64 | R22-K26 PolarHBondContact NE-O 3.07Å; R22-K26 PolarHBondContact NH2-O 3.26Å; R22-N27 CarbonylContact C-O 3.53Å; R22-N27 VanDerWaalsContact CA-O 3.27Å; R22-N27 WeakPolarHBondContact CA-O 3.35Å; R22-N27 VanDerWaalsContact CG-O 3.32Å; R22-N27 WeakPolarHBondContact CG-O 3.33Å; R22-W28 HydrophobicContact CB-CD2 4.04Å; R22-W28 HydrophobicContact CB-CE3 3.84Å; R22-W28 HydrophobicContact CB-CH2 4.09Å; R22-W28 HydrophobicContact CB-CZ2 4.27Å; R22-W28 HydrophobicContact CB-CZ3 3.87Å; R22-W28 HydrophobicContact CG-CD2 4.05Å; R22-W28 HydrophobicContact CG-CE3 4.37Å; R22-W28 HydrophobicContact CG-CG 4.46Å; R22-W28 HydrophobicContact CG-CZ2 4.34Å; R22-Y64 HydrophobicContact CB-CD1 4.2Å; R22-Y64 HydrophobicContact CB-CG 4.45Å; R22-Y64 PolarHBondContact N-O 3.23Å |
| 23 | D | 89.4 | Confident | 91.6 | Very high | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | trans | -71.3 | 161.6 | 172.3 | 169.7 | 50.7 | 0 | 0 | 0 | 111.4 | L25 K26 N27 Y29 | D23-L25 PolarHBondContact O-N 2.92Å; D23-L25 VanDerWaalsContact OD2-CB 3.25Å; D23-L25 WeakPolarHBondContact OD2-CB 3.34Å; D23-L25 WeakPolarHBondContact OD2-CG 3.41Å; D23-L25 PolarHBondContact OD2-N 2.95Å; D23-K26 WeakPolarHBondContact O-CA 3.47Å; D23-K26 PolarHBondContact O-N 2.85Å; D23-N27 PolarHBondContact N-O 2.97Å; D23-Y29 HydrophobicContact CB-CD2 3.82Å; D23-Y29 HydrophobicContact CB-CE2 3.68Å | ||
| 24 | R | 83.7 | Confident | 91.9 | Very high | 192 Ų | 192 | 65.5 Ų | 65.5 | 73% | 0.725 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.9 | 176.3 | -59 | 175.2 | -179.9 | -168.3 | -1.3 | 112.6 | K26 E56 | R24-K26 PolarHBondContact O-N 3.11Å; R24-K26 VanDerWaalsContact O-N 3.12Å; R24-E56 IonicContact CZ-OE1 2.66Å; R24-E56 IonicContact CZ-OE2 2.64Å; R24-E56 IonicContact NE-OE1 2.72Å; R24-E56 PolarHBondContact NE-OE1 3.46Å; R24-E56 IonicContact NE-OE2 3.55Å; R24-E56 PolarHBondContact NE-OE2 2.9Å; R24-E56 IonicContact NH2-OE1 3.15Å; R24-E56 PolarHBondContact NH2-OE1 3.07Å; R24-E56 IonicContact NH2-OE2 3.77Å |
| 25 | L | 83.3 | Confident | 92 | Very high | 132 Ų | 132 | 63.2 Ų | 63.2 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 17.9 | 171.3 | -57.9 | 177.3 | 0 | 0 | 0 | 113.7 | D23 N27 | D23-L25 PolarHBondContact O-N 2.92Å; D23-L25 VanDerWaalsContact OD2-CB 3.25Å; D23-L25 WeakPolarHBondContact OD2-CB 3.34Å; D23-L25 WeakPolarHBondContact OD2-CG 3.41Å; D23-L25 PolarHBondContact OD2-N 2.95Å; L25-N27 PolarHBondContact O-N 2.79Å; L25-N27 VanDerWaalsContact O-N 3.09Å |
| 26 | K | 85.4 | Confident | 92.1 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 62.8 | 9.1 | 177.8 | -63.9 | -174 | -176.6 | -176.5 | 0 | 115.2 | R22 D23 R24 | R22-K26 PolarHBondContact NE-O 3.07Å; R22-K26 PolarHBondContact NH2-O 3.26Å; D23-K26 WeakPolarHBondContact O-CA 3.47Å; D23-K26 PolarHBondContact O-N 2.85Å; R24-K26 PolarHBondContact O-N 3.11Å; R24-K26 VanDerWaalsContact O-N 3.12Å |
| 27 | N | 89.8 | Confident | 92.3 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -86 | 149.9 | 176.6 | -67.1 | -40.4 | 0 | 0 | 0 | 112.3 | R22 D23 L25 Y29 | R22-N27 CarbonylContact C-O 3.53Å; R22-N27 VanDerWaalsContact CA-O 3.27Å; R22-N27 WeakPolarHBondContact CA-O 3.35Å; R22-N27 VanDerWaalsContact CG-O 3.32Å; R22-N27 WeakPolarHBondContact CG-O 3.33Å; D23-N27 PolarHBondContact N-O 2.97Å; L25-N27 PolarHBondContact O-N 2.79Å; L25-N27 VanDerWaalsContact O-N 3.09Å; N27-Y29 HydrophobicContact CB-CD2 4.45Å; N27-Y29 HydrophobicContact CB-CE2 3.62Å; N27-Y29 PolarHBondContact ND2-OH 2.8Å | ||
| 28 | W | 93.5 | Very high | 92.1 | Very high | 83 Ų | 83 | 64.4 Ų | 64.4 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.8 | 173.6 | -67.8 | 99.4 | 0 | 0 | 0 | 110.9 | E20 R22 P63 Y64 R66 | E20-W28 HydrophobicContact CB-CE3 4.28Å; E20-W28 WeakPolarHBondContact O-CZ3 3.19Å; R22-W28 HydrophobicContact CB-CD2 4.04Å; R22-W28 HydrophobicContact CB-CE3 3.84Å; R22-W28 HydrophobicContact CB-CH2 4.09Å; R22-W28 HydrophobicContact CB-CZ2 4.27Å; R22-W28 HydrophobicContact CB-CZ3 3.87Å; R22-W28 HydrophobicContact CG-CD2 4.05Å; R22-W28 HydrophobicContact CG-CE3 4.37Å; R22-W28 HydrophobicContact CG-CG 4.46Å; R22-W28 HydrophobicContact CG-CZ2 4.34Å; W28-P63 WeakPolarHBondContact CH2-O 3.49Å; W28-Y64 VanDerWaalsContact CZ3-O 3.23Å; W28-Y64 WeakPolarHBondContact CZ3-O 3.32Å; W28-R66 HydrophobicContact CD2-CG 4.34Å; W28-R66 HydrophobicContact CE3-CG 3.73Å; W28-R66 HydrophobicContact CH2-CB 4Å; W28-R66 HydrophobicContact CH2-CG 4.01Å; W28-R66 HydrophobicContact CZ3-CB 3.88Å; W28-R66 HydrophobicContact CZ3-CG 3.54Å |
| 29 | Y | 92.9 | Very high | 91.7 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.4 | 178 | -64.2 | -67.4 | 0 | 0 | 0 | 110.9 | E20 A21 D23 N27 A31 W50 | E20-Y29 WeakPolarHBondContact CA-O 3.45Å; A21-Y29 PolarHBondContact N-O 3.22Å; A21-Y29 PolarHBondContact O-N 2.89Å; D23-Y29 HydrophobicContact CB-CD2 3.82Å; D23-Y29 HydrophobicContact CB-CE2 3.68Å; N27-Y29 HydrophobicContact CB-CD2 4.45Å; N27-Y29 HydrophobicContact CB-CE2 3.62Å; N27-Y29 PolarHBondContact ND2-OH 2.8Å; Y29-A31 PolarHBondContact O-N 2.91Å; Y29-W50 HydrophobicContact CD1-CZ2 4.23Å; Y29-W50 HydrophobicContact CD2-CH2 4.27Å; Y29-W50 AromaticContact CD2-CZ2 3.67Å; Y29-W50 HydrophobicContact CD2-CZ2 3.67Å; Y29-W50 HydrophobicContact CE1-CZ2 4.09Å; Y29-W50 AromaticContact CE2-CH2 3.9Å; Y29-W50 HydrophobicContact CE2-CH2 3.9Å; Y29-W50 AromaticContact CE2-CZ2 3.51Å; Y29-W50 HydrophobicContact CE2-CZ2 3.51Å; Y29-W50 HydrophobicContact CG-CZ2 4.04Å; Y29-W50 AromaticContact CZ-CZ2 3.75Å |
| 30 | P | 94.6 | Very high | 91.3 | Very high | 56 Ų | 56 | 73.6 Ų | 73.6 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 133.6 | 171.9 | 28 | -33.9 | 0 | 0 | 0 | 109.2 | K48 L68 | P30-K48 HydrophobicContact CB-CB 4.44Å; P30-K48 HydrophobicContact CB-CD 4.39Å; P30-K48 HydrophobicContact CG-CB 4.36Å; P30-K48 WeakPolarHBondContact O-CB 3.46Å; P30-K48 PolarHBondContact O-N 2.82Å; P30-L68 HydrophobicContact CB-CD1 3.95Å |
| 31 | A | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 177.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L19 A21 Y29 I45 H46 F47 | L19-A31 HydrophobicContact CD1-CB 4.16Å; L19-A31 PolarHBondContact N-O 2.85Å; L19-A31 PolarHBondContact O-N 3.46Å; A21-A31 HydrophobicContact CB-CB 4.03Å; Y29-A31 PolarHBondContact O-N 2.91Å; A31-I45 HydrophobicContact CB-CG2 3.51Å; A31-H46 CarbonylContact C-O 3.54Å; A31-H46 VanDerWaalsContact CA-O 3.25Å; A31-H46 WeakPolarHBondContact CA-O 3.23Å; A31-H46 WeakPolarHBondContact CB-O 3.42Å; A31-F47 HydrophobicContact CB-CD1 4.24Å |
| 32 | H | 95.2 | Very high | 90.9 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.4 | 169.7 | 68.3 | -43.2 | 0 | 0 | 0 | 111.3 | A17 Q18 H46 | A17-H32 CarbonylContact O-C 3.55Å; A17-H32 WeakPolarHBondContact O-CA 3.44Å; A17-H32 WeakPolarHBondContact O-CB 3.43Å; Q18-H32 HydrophobicContact CG-CB 4.34Å; H32-H46 AromaticContact CE1-CD2 3.36Å; H32-H46 PolarHBondContact CE1-CD2 3.38Å; H32-H46 AromaticContact CE1-CG 3.59Å; H32-H46 PolarHBondContact N-O 2.99Å; H32-H46 AromaticContact ND1-CD2 3.69Å; H32-H46 AromaticContact ND1-CG 3.95Å; H32-H46 PolarHBondContact ND1-O 2.89Å; H32-H46 PolarHBondContact O-N 3.41Å |
| 33 | I | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.2 | 172.4 | -57.7 | -179.5 | 0 | 0 | 0 | 108.1 | F13 E14 G16 A17 L19 D35 I36 V43 L44 I45 | F13-I33 HydrophobicContact CD1-CD1 4.03Å; E14-I33 WeakPolarHBondContact O-CB 3.34Å; G16-I33 WeakPolarHBondContact CA-O 3.26Å; G16-I33 PolarHBondContact N-O 3.14Å; A17-I33 HydrophobicContact CB-CD1 4.21Å; A17-I33 PolarHBondContact O-N 2.78Å; L19-I33 HydrophobicContact CD2-CD1 4.16Å; L19-I33 HydrophobicContact CD2-CG1 3.87Å; I33-D35 WeakPolarHBondContact CG2-O 3.46Å; I33-I36 HydrophobicContact CG2-CD1 4.04Å; I33-I36 HydrophobicContact CG2-CG1 3.59Å; I33-V43 HydrophobicContact CD1-CG1 4.3Å; I33-V43 HydrophobicContact CG2-CB 4.27Å; I33-V43 HydrophobicContact CG2-CG1 4.4Å; I33-L44 CarbonylContact C-O 3.57Å; I33-L44 WeakPolarHBondContact CA-O 3.24Å; I33-I45 HydrophobicContact CB-CD1 4.4Å; I33-I45 HydrophobicContact CG1-CD1 3.76Å |
| 34 | E | 95.5 | Very high | 91.3 | Very high | 74 Ų | 74 | 72.4 Ų | 72.4 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -31.6 | 175.1 | -174.8 | 162.9 | -166.3 | 0 | 0 | 111.8 | V15 L44 H46 H52 | V15-E34 WeakPolarHBondContact CG1-O 3.3Å; E34-L44 HydrophobicContact CB-CD2 4.26Å; E34-L44 HydrophobicContact CB-CG 4.25Å; E34-L44 HydrophobicContact CG-CD2 4.37Å; E34-L44 PolarHBondContact N-O 2.94Å; E34-H46 HydrophobicContact CB-CB 4.37Å; E34-H46 IonicContact OE2-ND1 3.7Å; E34-H52 IonicContact OE1-CE1 3.18Å; E34-H52 PolarHBondContact OE1-CE1 3.06Å; E34-H52 VanDerWaalsContact OE1-CE1 3.25Å; E34-H52 IonicContact OE1-ND1 3.16Å; E34-H52 PolarHBondContact OE1-ND1 2.83Å; E34-H52 IonicContact OE2-CE1 3.95Å; E34-H52 IonicContact OE2-ND1 3.95Å; E34-H52 PolarHBondContact OE2-ND1 2.88Å; E34-H52 VanDerWaalsContact OE2-ND1 3.16Å |
| 35 | D | 93.6 | Very high | 92 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 161.5 | 177.3 | -162.2 | 7.4 | 0 | 0 | 0 | 111.8 | I33 V43 L44 W57 | I33-D35 WeakPolarHBondContact CG2-O 3.46Å; D35-V43 WeakPolarHBondContact O-CA 3.2Å; D35-L44 HydrophobicContact CB-CB 3.96Å; D35-L44 HydrophobicContact CB-CD2 4.28Å; D35-L44 PolarHBondContact O-N 2.89Å; D35-W57 HydrophobicContact CB-CH2 3.91Å; D35-W57 HydrophobicContact CB-CZ2 4.44Å |
| 36 | I | 94.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 116.9 | -179.7 | -52.3 | -174 | 0 | 0 | 0 | 111 | F13 V15 I33 Y38 K42 V43 W60 | F13-I36 VanDerWaalsContact C-CD1 3.49Å; F13-I36 VanDerWaalsContact O-CD1 3.26Å; F13-I36 WeakPolarHBondContact O-CD1 3.31Å; V15-I36 HydrophobicContact CG2-CD1 4.36Å; V15-I36 HydrophobicContact CG2-CG1 3.98Å; I33-I36 HydrophobicContact CG2-CD1 4.04Å; I33-I36 HydrophobicContact CG2-CG1 3.59Å; I36-Y38 HydrophobicContact CB-CD2 4.39Å; I36-Y38 HydrophobicContact CB-CE2 3.81Å; I36-Y38 HydrophobicContact CG2-CD1 4.29Å; I36-Y38 HydrophobicContact CG2-CD2 3.96Å; I36-Y38 HydrophobicContact CG2-CE1 3.99Å; I36-Y38 HydrophobicContact CG2-CE2 3.63Å; I36-Y38 HydrophobicContact CG2-CG 4.28Å; I36-Y38 WeakPolarHBondContact O-CD2 3.48Å; I36-K42 WeakPolarHBondContact CA-O 3.32Å; I36-V43 HydrophobicContact CG1-CG1 4.06Å; I36-V43 HydrophobicContact CG2-CG1 4.2Å; I36-W60 HydrophobicContact CG2-CE3 4.37Å; I36-W60 HydrophobicContact CG2-CZ3 4.3Å |
| 37 | D | 92.4 | Very high | 93 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 104.8 | 171.4 | -175.5 | -21 | 0 | 0 | 0 | 109.7 | E39 E40 G41 K42 W57 | D37-E39 VanDerWaalsContact C-N 3.33Å; D37-E39 WeakPolarHBondContact OD1-CA 3.45Å; D37-E39 PolarHBondContact OD1-N 2.92Å; D37-E40 PolarHBondContact OD1-N 2.83Å; D37-E40 WeakPolarHBondContact OD2-CB 3.38Å; D37-E40 WeakPolarHBondContact OD2-CG 3.46Å; D37-G41 CarbonylContact O-C 3.59Å; D37-G41 WeakPolarHBondContact O-CA 3.35Å; D37-G41 PolarHBondContact O-N 3.45Å; D37-K42 HydrophobicContact CB-CB 4.34Å; D37-K42 PolarHBondContact N-O 3.06Å; D37-K42 PolarHBondContact O-N 3.23Å; D37-W57 HydrophobicContact CB-CH2 4.18Å; D37-W57 HydrophobicContact CB-CZ3 3.84Å |
| 38 | Y | 89.1 | Confident | 93.1 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10 | 178.7 | -63.6 | -92.5 | 0 | 0 | 0 | 113.9 | P5 I36 W60 | P5-Y38 HydrophobicContact CG-CD1 4.32Å; P5-Y38 HydrophobicContact CG-CE1 3.76Å; I36-Y38 HydrophobicContact CB-CD2 4.39Å; I36-Y38 HydrophobicContact CB-CE2 3.81Å; I36-Y38 HydrophobicContact CG2-CD1 4.29Å; I36-Y38 HydrophobicContact CG2-CD2 3.96Å; I36-Y38 HydrophobicContact CG2-CE1 3.99Å; I36-Y38 HydrophobicContact CG2-CE2 3.63Å; I36-Y38 HydrophobicContact CG2-CG 4.28Å; I36-Y38 WeakPolarHBondContact O-CD2 3.48Å; Y38-W60 HydrophobicContact CD1-CH2 4.45Å; Y38-W60 HydrophobicContact CD1-CZ3 4.04Å |
| 39 | E | 84.9 | Confident | 92.9 | Very high | 185 Ų | 185 | 61 Ų | 61 | 86% | 0.864 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -45 | 177.8 | -58.8 | -155.3 | 153.1 | 0 | 0 | 111.5 | D37 | D37-E39 VanDerWaalsContact C-N 3.33Å; D37-E39 WeakPolarHBondContact OD1-CA 3.45Å; D37-E39 PolarHBondContact OD1-N 2.92Å |
| 40 | E | 85.4 | Confident | 92.9 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.6 | 173.6 | -62.8 | -157.1 | 153 | 0 | 0 | 113.9 | D37 K42 | D37-E40 PolarHBondContact OD1-N 2.83Å; D37-E40 WeakPolarHBondContact OD2-CB 3.38Å; D37-E40 WeakPolarHBondContact OD2-CG 3.46Å; E40-K42 HydrophobicContact CB-CD 3.94Å; E40-K42 HydrophobicContact CB-CG 4.21Å; E40-K42 WeakPolarHBondContact OE2-CE 3.4Å; E40-K42 IonicContact OE2-NZ 2.83Å; E40-K42 PolarHBondContact OE2-NZ 2.8Å |
| 41 | G | 89.9 | Confident | 92.7 | Very high | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | D37 C59 W60 | D37-G41 CarbonylContact O-C 3.59Å; D37-G41 WeakPolarHBondContact O-CA 3.35Å; D37-G41 PolarHBondContact O-N 3.45Å; G41-C59 WeakPolarHBondContact O-CA 3.39Å; G41-W60 VanDerWaalsContact CA-CZ2 3.48Å; G41-W60 PolarHBondContact O-N 3.16Å; G41-W60 VanDerWaalsContact O-N 3.07Å |
| 42 | K | 92.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 68.2 Ų | 68.2 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 160.9 | -168.2 | -61.6 | 174.9 | -176.6 | 171.4 | 0 | 113 | I36 D37 E40 W57 F58 | I36-K42 WeakPolarHBondContact CA-O 3.32Å; D37-K42 HydrophobicContact CB-CB 4.34Å; D37-K42 PolarHBondContact N-O 3.06Å; D37-K42 PolarHBondContact O-N 3.23Å; E40-K42 HydrophobicContact CB-CD 3.94Å; E40-K42 HydrophobicContact CB-CG 4.21Å; E40-K42 WeakPolarHBondContact OE2-CE 3.4Å; E40-K42 IonicContact OE2-NZ 2.83Å; E40-K42 PolarHBondContact OE2-NZ 2.8Å; K42-W57 HydrophobicContact CB-CE3 3.77Å; K42-W57 HydrophobicContact CB-CZ3 4.27Å; K42-F58 CarbonylContact C-O 3.6Å; K42-F58 WeakPolarHBondContact CA-O 3.44Å; K42-F58 WeakPolarHBondContact CB-O 3.43Å |
| 43 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.7 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | F13 I33 D35 I36 I45 W57 F58 W60 L65 | F13-V43 HydrophobicContact CD1-CG1 4Å; F13-V43 HydrophobicContact CE1-CG1 4.41Å; I33-V43 HydrophobicContact CD1-CG1 4.3Å; I33-V43 HydrophobicContact CG2-CB 4.27Å; I33-V43 HydrophobicContact CG2-CG1 4.4Å; D35-V43 WeakPolarHBondContact O-CA 3.2Å; I36-V43 HydrophobicContact CG1-CG1 4.06Å; I36-V43 HydrophobicContact CG2-CG1 4.2Å; V43-I45 HydrophobicContact CB-CD1 4.07Å; V43-I45 HydrophobicContact CG2-CD1 3.69Å; V43-I45 HydrophobicContact CG2-CG1 4.03Å; V43-W57 VanDerWaalsContact C-CE3 3.42Å; V43-W57 WeakPolarHBondContact O-CA 3.47Å; V43-F58 HydrophobicContact CG2-CB 4.38Å; V43-F58 PolarHBondContact N-O 2.84Å; V43-F58 PolarHBondContact O-N 3.03Å; V43-W60 HydrophobicContact CG1-CB 4.38Å; V43-L65 HydrophobicContact CG2-CD1 3.67Å |
| 44 | L | 96.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.8 | 170.6 | 179.3 | 59.4 | 0 | 0 | 0 | 107.9 | I33 E34 D35 D55 W57 | I33-L44 CarbonylContact C-O 3.57Å; I33-L44 WeakPolarHBondContact CA-O 3.24Å; E34-L44 HydrophobicContact CB-CD2 4.26Å; E34-L44 HydrophobicContact CB-CG 4.25Å; E34-L44 HydrophobicContact CG-CD2 4.37Å; E34-L44 PolarHBondContact N-O 2.94Å; D35-L44 HydrophobicContact CB-CB 3.96Å; D35-L44 HydrophobicContact CB-CD2 4.28Å; D35-L44 PolarHBondContact O-N 2.89Å; L44-D55 HydrophobicContact CD1-CB 4Å; L44-W57 HydrophobicContact CB-CD2 3.89Å; L44-W57 HydrophobicContact CB-CE3 3.9Å; L44-W57 HydrophobicContact CB-CH2 3.88Å; L44-W57 HydrophobicContact CB-CZ2 3.84Å; L44-W57 HydrophobicContact CB-CZ3 3.9Å; L44-W57 HydrophobicContact CD1-CD2 4.25Å; L44-W57 HydrophobicContact CD1-CG 4.19Å; L44-W57 HydrophobicContact CD2-CZ2 4.29Å; L44-W57 VanDerWaalsContact N-CE3 3.3Å |
| 45 | I | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120 | -174.4 | -59.5 | -58.4 | 0 | 0 | 0 | 110.9 | L19 A21 A31 I33 V43 D55 E56 F58 L65 | L19-I45 HydrophobicContact CD1-CD1 4.26Å; L19-I45 HydrophobicContact CD1-CG2 4.29Å; L19-I45 HydrophobicContact CD2-CD1 4Å; A21-I45 HydrophobicContact CB-CG2 3.66Å; A31-I45 HydrophobicContact CB-CG2 3.51Å; I33-I45 HydrophobicContact CB-CD1 4.4Å; I33-I45 HydrophobicContact CG1-CD1 3.76Å; V43-I45 HydrophobicContact CB-CD1 4.07Å; V43-I45 HydrophobicContact CG2-CD1 3.69Å; V43-I45 HydrophobicContact CG2-CG1 4.03Å; I45-D55 WeakPolarHBondContact O-CA 3.43Å; I45-E56 PolarHBondContact N-O 3.45Å; I45-E56 PolarHBondContact O-N 3.36Å; I45-F58 HydrophobicContact CB-CD2 3.83Å; I45-F58 HydrophobicContact CB-CE2 3.99Å; I45-F58 HydrophobicContact CG1-CD2 3.56Å; I45-F58 HydrophobicContact CG1-CE2 4.2Å; I45-F58 HydrophobicContact CG1-CG 4.44Å; I45-F58 HydrophobicContact CG2-CE2 4.49Å; I45-L65 HydrophobicContact CD1-CD2 4.25Å; I45-L65 HydrophobicContact CG1-CD2 3.89Å |
| 46 | H | 95.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 77.2 Ų | 77.2 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.3 | 174.4 | 177.4 | 99.7 | 0 | 0 | 0 | 112 | A31 H32 E34 H52 D55 | A31-H46 CarbonylContact C-O 3.54Å; A31-H46 VanDerWaalsContact CA-O 3.25Å; A31-H46 WeakPolarHBondContact CA-O 3.23Å; A31-H46 WeakPolarHBondContact CB-O 3.42Å; H32-H46 AromaticContact CE1-CD2 3.36Å; H32-H46 PolarHBondContact CE1-CD2 3.38Å; H32-H46 AromaticContact CE1-CG 3.59Å; H32-H46 PolarHBondContact N-O 2.99Å; H32-H46 AromaticContact ND1-CD2 3.69Å; H32-H46 AromaticContact ND1-CG 3.95Å; H32-H46 PolarHBondContact ND1-O 2.89Å; H32-H46 PolarHBondContact O-N 3.41Å; E34-H46 HydrophobicContact CB-CB 4.37Å; E34-H46 IonicContact OE2-ND1 3.7Å; H46-H52 AromaticContact CE1-CD2 3.81Å; H46-H52 AromaticContact CE1-CE1 3.54Å; H46-H52 AromaticContact CE1-CG 3.75Å; H46-H52 AromaticContact CE1-ND1 3.58Å; H46-H52 AromaticContact CE1-NE2 3.67Å; H46-H52 AromaticContact ND1-CE1 3.35Å; H46-H52 PolarHBondContact ND1-CE1 2.83Å; H46-H52 VanDerWaalsContact ND1-CE1 3.35Å; H46-H52 AromaticContact ND1-CG 3.66Å; H46-H52 AromaticContact ND1-ND1 3.12Å; H46-H52 PolarHBondContact ND1-ND1 2.84Å; H46-H52 VanDerWaalsContact ND1-ND1 3.12Å; H46-H52 AromaticContact ND1-NE2 3.95Å; H46-D55 WeakPolarHBondContact CA-OD1 3.37Å; H46-D55 IonicContact CE1-OD1 2.81Å; H46-D55 IonicContact CE1-OD2 2.78Å; H46-D55 IonicContact CG-OD1 3.89Å; H46-D55 IonicContact CG-OD2 3.35Å; H46-D55 IonicContact ND1-OD1 2.66Å; H46-D55 PolarHBondContact ND1-OD1 3.11Å; H46-D55 IonicContact ND1-OD2 3.62Å; H46-D55 PolarHBondContact ND1-OD2 2.82Å |
| 47 | F | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 82.3 Ų | 82.3 | 1% | 0.013 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.5 | -179.5 | -68.6 | -81 | 0 | 0 | 0 | 112.2 | A21 A31 R49 W50 Y54 F58 | A21-F47 HydrophobicContact CB-CD1 4.43Å; A21-F47 HydrophobicContact CB-CE1 3.66Å; A21-F47 HydrophobicContact CB-CZ 4.09Å; A31-F47 HydrophobicContact CB-CD1 4.24Å; F47-R49 PolarHBondContact O-N 3.27Å; F47-W50 HydrophobicContact CB-CB 3.78Å; F47-W50 HydrophobicContact CB-CD2 3.91Å; F47-W50 HydrophobicContact CB-CG 3.5Å; F47-W50 VanDerWaalsContact CB-CG 3.5Å; F47-W50 VanDerWaalsContact O-CB 3.29Å; F47-W50 WeakPolarHBondContact O-CB 3.4Å; F47-W50 PolarHBondContact O-N 2.68Å; F47-Y54 WeakPolarHBondContact CD2-O 3.41Å; F47-Y54 WeakPolarHBondContact CE2-O 3.44Å; F47-F58 HydrophobicContact CZ-CZ 4.45Å |
| 48 | K | 92.3 | Very high | 91.9 | Very high | 101 Ų | 101 | 81 Ų | 81 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 121.9 | -169.9 | -165.8 | 172.3 | -169 | 164.3 | 0 | 111.5 | P30 W50 | P30-K48 HydrophobicContact CB-CB 4.44Å; P30-K48 HydrophobicContact CB-CD 4.39Å; P30-K48 HydrophobicContact CG-CB 4.36Å; P30-K48 WeakPolarHBondContact O-CB 3.46Å; P30-K48 PolarHBondContact O-N 2.82Å; K48-W50 VanDerWaalsContact C-N 3.35Å |
| 49 | R | 89.6 | Confident | 92 | Very high | 244 Ų | 244 | 78.7 Ų | 78.7 | 92% | 0.921 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 9.7 | -171.9 | -48.8 | 172.8 | 174.4 | 165 | -2.2 | 115.4 | F47 | F47-R49 PolarHBondContact O-N 3.27Š|
| 50 | W | 91.9 | Very high | 92.2 | Very high | 90 Ų | 90 | 70.3 Ų | 70.3 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -90.7 | -166.9 | 170.4 | -64.6 | 52.3 | 0 | 0 | 0 | 109.2 | Y29 F47 K48 Y54 | Y29-W50 HydrophobicContact CD1-CZ2 4.23Å; Y29-W50 HydrophobicContact CD2-CH2 4.27Å; Y29-W50 AromaticContact CD2-CZ2 3.67Å; Y29-W50 HydrophobicContact CD2-CZ2 3.67Å; Y29-W50 HydrophobicContact CE1-CZ2 4.09Å; Y29-W50 AromaticContact CE2-CH2 3.9Å; Y29-W50 HydrophobicContact CE2-CH2 3.9Å; Y29-W50 AromaticContact CE2-CZ2 3.51Å; Y29-W50 HydrophobicContact CE2-CZ2 3.51Å; Y29-W50 HydrophobicContact CG-CZ2 4.04Å; Y29-W50 AromaticContact CZ-CZ2 3.75Å; F47-W50 HydrophobicContact CB-CB 3.78Å; F47-W50 HydrophobicContact CB-CD2 3.91Å; F47-W50 HydrophobicContact CB-CG 3.5Å; F47-W50 VanDerWaalsContact CB-CG 3.5Å; F47-W50 VanDerWaalsContact O-CB 3.29Å; F47-W50 WeakPolarHBondContact O-CB 3.4Å; F47-W50 PolarHBondContact O-N 2.68Å; K48-W50 VanDerWaalsContact C-N 3.35Å; W50-Y54 HydrophobicContact CB-CD2 4.43Å; W50-Y54 HydrophobicContact CE3-CD1 4.12Å; W50-Y54 AromaticContact CE3-CD2 3.93Å; W50-Y54 HydrophobicContact CE3-CD2 3.93Å; W50-Y54 HydrophobicContact CE3-CE2 4.5Å; W50-Y54 AromaticContact CE3-CG 3.73Å; W50-Y54 HydrophobicContact CE3-CG 3.73Å; W50-Y54 HydrophobicContact CZ3-CD1 4.23Å; W50-Y54 HydrophobicContact CZ3-CG 4.29Å |
| 51 | N | 91.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 69.4 Ų | 69.4 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -117.6 | 142.8 | 179.1 | 172.7 | -104.1 | 0 | 0 | 0 | 108.3 | R53 Y54 | N51-R53 PolarHBondContact O-N 3.35Å; N51-R53 WeakPolarHBondContact OD1-CG 3.45Å; N51-R53 PolarHBondContact OD1-NE 3.41Å; N51-Y54 HydrophobicContact CB-CD2 4.24Å; N51-Y54 HydrophobicContact CB-CE2 4.4Å; N51-Y54 VanDerWaalsContact O-CD2 3.3Å; N51-Y54 WeakPolarHBondContact O-CD2 3.37Å; N51-Y54 PolarHBondContact O-N 3.37Å | ||
| 52 | H | 90.9 | Very high | 92.4 | Very high | 109 Ų | 109 | 69.6 Ų | 69.6 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -57.3 | -14 | -170.4 | -69 | -93.8 | 0 | 0 | 0 | 116 | E34 H46 Y54 D55 | E34-H52 IonicContact OE1-CE1 3.18Å; E34-H52 PolarHBondContact OE1-CE1 3.06Å; E34-H52 VanDerWaalsContact OE1-CE1 3.25Å; E34-H52 IonicContact OE1-ND1 3.16Å; E34-H52 PolarHBondContact OE1-ND1 2.83Å; E34-H52 IonicContact OE2-CE1 3.95Å; E34-H52 IonicContact OE2-ND1 3.95Å; E34-H52 PolarHBondContact OE2-ND1 2.88Å; E34-H52 VanDerWaalsContact OE2-ND1 3.16Å; H46-H52 AromaticContact CE1-CD2 3.81Å; H46-H52 AromaticContact CE1-CE1 3.54Å; H46-H52 AromaticContact CE1-CG 3.75Å; H46-H52 AromaticContact CE1-ND1 3.58Å; H46-H52 AromaticContact CE1-NE2 3.67Å; H46-H52 AromaticContact ND1-CE1 3.35Å; H46-H52 PolarHBondContact ND1-CE1 2.83Å; H46-H52 VanDerWaalsContact ND1-CE1 3.35Å; H46-H52 AromaticContact ND1-CG 3.66Å; H46-H52 AromaticContact ND1-ND1 3.12Å; H46-H52 PolarHBondContact ND1-ND1 2.84Å; H46-H52 VanDerWaalsContact ND1-ND1 3.12Å; H46-H52 AromaticContact ND1-NE2 3.95Å; H52-Y54 PolarHBondContact O-N 3.36Å; H52-D55 WeakPolarHBondContact CA-OD2 3.1Å; H52-D55 VanDerWaalsContact CB-OD2 3.24Å; H52-D55 WeakPolarHBondContact CB-OD2 3.34Å; H52-D55 IonicContact CE1-OD2 3.61Å; H52-D55 IonicContact CG-OD2 2.64Å; H52-D55 VanDerWaalsContact CG-OD2 3.27Å; H52-D55 IonicContact ND1-OD2 3.23Å; H52-D55 PolarHBondContact ND1-OD2 2.8Å; H52-D55 WeakPolarHBondContact O-CB 3.38Å; H52-D55 VanDerWaalsContact O-CG 3.31Å; H52-D55 PolarHBondContact O-N 3.09Å; H52-D55 VanDerWaalsContact O-N 3.16Å |
| 53 | R | 88.6 | Confident | 92.2 | Very high | 203 Ų | 203 | 71.5 Ų | 71.5 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -67.1 | -5.4 | 170 | -61.2 | 179.5 | -58.9 | 149.2 | 14.3 | 114.5 | N51 | N51-R53 PolarHBondContact O-N 3.35Å; N51-R53 WeakPolarHBondContact OD1-CG 3.45Å; N51-R53 PolarHBondContact OD1-NE 3.41Å |
| 54 | Y | 89.6 | Confident | 92 | Very high | 121 Ų | 121 | 77.1 Ų | 77.1 | 48% | 0.475 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -105.4 | 3.3 | 174 | -62.9 | -74.8 | 0 | 0 | 0 | 112.8 | F47 W50 N51 H52 | F47-Y54 WeakPolarHBondContact CD2-O 3.41Å; F47-Y54 WeakPolarHBondContact CE2-O 3.44Å; W50-Y54 HydrophobicContact CB-CD2 4.43Å; W50-Y54 HydrophobicContact CE3-CD1 4.12Å; W50-Y54 AromaticContact CE3-CD2 3.93Å; W50-Y54 HydrophobicContact CE3-CD2 3.93Å; W50-Y54 HydrophobicContact CE3-CE2 4.5Å; W50-Y54 AromaticContact CE3-CG 3.73Å; W50-Y54 HydrophobicContact CE3-CG 3.73Å; W50-Y54 HydrophobicContact CZ3-CD1 4.23Å; W50-Y54 HydrophobicContact CZ3-CG 4.29Å; N51-Y54 HydrophobicContact CB-CD2 4.24Å; N51-Y54 HydrophobicContact CB-CE2 4.4Å; N51-Y54 VanDerWaalsContact O-CD2 3.3Å; N51-Y54 WeakPolarHBondContact O-CD2 3.37Å; N51-Y54 PolarHBondContact O-N 3.37Å; H52-Y54 PolarHBondContact O-N 3.36Å |
| 55 | D | 93.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 75.8 Ų | 75.8 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | trans | -78.5 | 130.1 | -176.8 | -55.6 | -13 | 0 | 0 | 0 | 109.1 | L44 I45 H46 H52 | L44-D55 HydrophobicContact CD1-CB 4Å; I45-D55 WeakPolarHBondContact O-CA 3.43Å; H46-D55 WeakPolarHBondContact CA-OD1 3.37Å; H46-D55 IonicContact CE1-OD1 2.81Å; H46-D55 IonicContact CE1-OD2 2.78Å; H46-D55 IonicContact CG-OD1 3.89Å; H46-D55 IonicContact CG-OD2 3.35Å; H46-D55 IonicContact ND1-OD1 2.66Å; H46-D55 PolarHBondContact ND1-OD1 3.11Å; H46-D55 IonicContact ND1-OD2 3.62Å; H46-D55 PolarHBondContact ND1-OD2 2.82Å; H52-D55 WeakPolarHBondContact CA-OD2 3.1Å; H52-D55 VanDerWaalsContact CB-OD2 3.24Å; H52-D55 WeakPolarHBondContact CB-OD2 3.34Å; H52-D55 IonicContact CE1-OD2 3.61Å; H52-D55 IonicContact CG-OD2 2.64Å; H52-D55 VanDerWaalsContact CG-OD2 3.27Å; H52-D55 IonicContact ND1-OD2 3.23Å; H52-D55 PolarHBondContact ND1-OD2 2.8Å; H52-D55 WeakPolarHBondContact O-CB 3.38Å; H52-D55 VanDerWaalsContact O-CG 3.31Å; H52-D55 PolarHBondContact O-N 3.09Å; H52-D55 VanDerWaalsContact O-N 3.16Å | ||
| 56 | E | 93.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 79.5 Ų | 79.5 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.8 | -164.7 | -177 | 148 | -128.8 | 0 | 0 | 110.3 | R24 I45 F58 | R24-E56 IonicContact CZ-OE1 2.66Å; R24-E56 IonicContact CZ-OE2 2.64Å; R24-E56 IonicContact NE-OE1 2.72Å; R24-E56 PolarHBondContact NE-OE1 3.46Å; R24-E56 IonicContact NE-OE2 3.55Å; R24-E56 PolarHBondContact NE-OE2 2.9Å; R24-E56 IonicContact NH2-OE1 3.15Å; R24-E56 PolarHBondContact NH2-OE1 3.07Å; R24-E56 IonicContact NH2-OE2 3.77Å; I45-E56 PolarHBondContact N-O 3.45Å; I45-E56 PolarHBondContact O-N 3.36Å; E56-F58 HydrophobicContact CB-CD2 4.48Å; E56-F58 HydrophobicContact CB-CE2 3.82Å; E56-F58 HydrophobicContact CB-CZ 4.28Å; E56-F58 HydrophobicContact CG-CE2 4.04Å; E56-F58 HydrophobicContact CG-CZ 4.16Å; E56-F58 VanDerWaalsContact O-CD2 3.24Å; E56-F58 WeakPolarHBondContact O-CD2 3.32Å; E56-F58 PolarHBondContact O-N 3.04Å |
| 57 | W | 94.8 | Very high | 91.4 | Very high | 118 Ų | 118 | 80.2 Ų | 80.2 | 45% | 0.447 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.4 | 177.8 | -78.4 | 100.3 | 0 | 0 | 0 | 110.1 | D35 D37 K42 V43 L44 | D35-W57 HydrophobicContact CB-CH2 3.91Å; D35-W57 HydrophobicContact CB-CZ2 4.44Å; D37-W57 HydrophobicContact CB-CH2 4.18Å; D37-W57 HydrophobicContact CB-CZ3 3.84Å; K42-W57 HydrophobicContact CB-CE3 3.77Å; K42-W57 HydrophobicContact CB-CZ3 4.27Å; V43-W57 VanDerWaalsContact C-CE3 3.42Å; V43-W57 WeakPolarHBondContact O-CA 3.47Å; L44-W57 HydrophobicContact CB-CD2 3.89Å; L44-W57 HydrophobicContact CB-CE3 3.9Å; L44-W57 HydrophobicContact CB-CH2 3.88Å; L44-W57 HydrophobicContact CB-CZ2 3.84Å; L44-W57 HydrophobicContact CB-CZ3 3.9Å; L44-W57 HydrophobicContact CD1-CD2 4.25Å; L44-W57 HydrophobicContact CD1-CG 4.19Å; L44-W57 HydrophobicContact CD2-CZ2 4.29Å; L44-W57 VanDerWaalsContact N-CE3 3.3Å |
| 58 | F | 93.3 | Very high | 91 | Very high | 19 Ų | 19 | 82.2 Ų | 82.2 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.9 | 174.1 | -66 | -91.3 | 0 | 0 | 0 | 110.2 | K42 V43 I45 F47 E56 Y64 L65 | K42-F58 CarbonylContact C-O 3.6Å; K42-F58 WeakPolarHBondContact CA-O 3.44Å; K42-F58 WeakPolarHBondContact CB-O 3.43Å; V43-F58 HydrophobicContact CG2-CB 4.38Å; V43-F58 PolarHBondContact N-O 2.84Å; V43-F58 PolarHBondContact O-N 3.03Å; I45-F58 HydrophobicContact CB-CD2 3.83Å; I45-F58 HydrophobicContact CB-CE2 3.99Å; I45-F58 HydrophobicContact CG1-CD2 3.56Å; I45-F58 HydrophobicContact CG1-CE2 4.2Å; I45-F58 HydrophobicContact CG1-CG 4.44Å; I45-F58 HydrophobicContact CG2-CE2 4.49Å; F47-F58 HydrophobicContact CZ-CZ 4.45Å; E56-F58 HydrophobicContact CB-CD2 4.48Å; E56-F58 HydrophobicContact CB-CE2 3.82Å; E56-F58 HydrophobicContact CB-CZ 4.28Å; E56-F58 HydrophobicContact CG-CE2 4.04Å; E56-F58 HydrophobicContact CG-CZ 4.16Å; E56-F58 VanDerWaalsContact O-CD2 3.24Å; E56-F58 WeakPolarHBondContact O-CD2 3.32Å; E56-F58 PolarHBondContact O-N 3.04Å; F58-Y64 HydrophobicContact CE1-CD2 4.4Å; F58-L65 HydrophobicContact CB-CD1 4.01Å; F58-L65 HydrophobicContact CB-CD2 4.24Å; F58-L65 HydrophobicContact CB-CG 4.27Å; F58-L65 HydrophobicContact CD2-CD2 4.18Å; F58-L65 HydrophobicContact CG-CD2 4.07Å; F58-L65 HydrophobicContact CG-CG 4.48Å |
| 59 | C | 92.3 | Very high | 89.8 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 144 | 163.5 | -50.8 | 0 | 0 | 0 | 0 | 109.3 | G41 D61 S62 | G41-C59 WeakPolarHBondContact O-CA 3.39Å; C59-D61 PolarHBondContact O-N 2.62Å; C59-S62 WeakPolarHBondContact O-CB 3.4Å; C59-S62 PolarHBondContact O-N 2.63Å |
| 60 | W | 89.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 81 Ų | 81 | 3% | 0.03 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.7 | -178.9 | 46.6 | 43.3 | 0 | 0 | 0 | 113.7 | T2 P5 P6 R8 F13 I36 Y38 G41 V43 S62 | T2-W60 WeakPolarHBondContact O-CZ2 3.45Å; P5-W60 HydrophobicContact CB-CE3 4.22Å; P5-W60 HydrophobicContact CB-CZ3 4.48Å; P5-W60 HydrophobicContact CG-CE3 4.18Å; P5-W60 HydrophobicContact CG-CZ3 4.03Å; P6-W60 HydrophobicContact CG-CB 4.12Å; P6-W60 HydrophobicContact CG-CG 4.01Å; R8-W60 PolarHBondContact NH1-O 3.24Å; F13-W60 HydrophobicContact CD1-CB 4Å; F13-W60 HydrophobicContact CE1-CB 3.61Å; F13-W60 HydrophobicContact CZ-CB 4.01Å; F13-W60 VanDerWaalsContact CZ-O 3.28Å; F13-W60 WeakPolarHBondContact CZ-O 3.45Å; I36-W60 HydrophobicContact CG2-CE3 4.37Å; I36-W60 HydrophobicContact CG2-CZ3 4.3Å; Y38-W60 HydrophobicContact CD1-CH2 4.45Å; Y38-W60 HydrophobicContact CD1-CZ3 4.04Å; G41-W60 VanDerWaalsContact CA-CZ2 3.48Å; G41-W60 PolarHBondContact O-N 3.16Å; G41-W60 VanDerWaalsContact O-N 3.07Å; V43-W60 HydrophobicContact CG1-CB 4.38Å; W60-S62 PolarHBondContact O-N 2.64Å |
| 61 | D | 87.5 | Confident | 86 | Confident | 97 Ų | 97 | 80.1 Ų | 80.1 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 4.3 | 174.2 | -69.7 | -57.8 | 0 | 0 | 0 | 113.3 | P6 C59 | P6-D61 VanDerWaalsContact CB-OD1 3.31Å; P6-D61 WeakPolarHBondContact CB-OD1 3.41Å; P6-D61 VanDerWaalsContact CG-OD1 3.31Å; P6-D61 WeakPolarHBondContact CG-OD1 3.15Å; C59-D61 PolarHBondContact O-N 2.62Å |
| 62 | S | 90.2 | Very high | 83.6 | Confident | 10 Ų | 10 | 84.7 Ų | 84.7 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | trans | -56.4 | 131.3 | -176.3 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | R8 C59 W60 Y64 L65 | R8-S62 PolarHBondContact NH1-O 2.78Å; C59-S62 WeakPolarHBondContact O-CB 3.4Å; C59-S62 PolarHBondContact O-N 2.63Å; W60-S62 PolarHBondContact O-N 2.64Å; S62-Y64 PolarHBondContact O-N 2.91Å; S62-Y64 WeakPolarHBondContact OG-CB 2.99Å; S62-Y64 PolarHBondContact OG-N 3.13Å; S62-Y64 VanDerWaalsContact OG-N 3.07Å; S62-L65 PolarHBondContact O-N 2.92Å; S62-L65 VanDerWaalsContact O-N 3.17Å | ||
| 63 | P | 88.8 | Confident | 81.1 | Confident | 98 Ų | 98 | 85.9 Ų | 85.9 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.6 | 172.4 | 32.9 | -36.8 | 0 | 0 | 0 | 112.3 | W28 L65 | W28-P63 WeakPolarHBondContact CH2-O 3.49Å; P63-L65 VanDerWaalsContact C-N 3.32Å |
| 64 | Y | 91.9 | Very high | 78.8 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 46% | 0.459 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 4.8 | 173.4 | -50.4 | -51.7 | 0 | 0 | 0 | 112.9 | A21 R22 W28 F58 S62 | A21-Y64 CarbonylContact C-O 3.57Å; A21-Y64 VanDerWaalsContact CA-O 3.29Å; A21-Y64 WeakPolarHBondContact CA-O 3.39Å; R22-Y64 HydrophobicContact CB-CD1 4.2Å; R22-Y64 HydrophobicContact CB-CG 4.45Å; R22-Y64 PolarHBondContact N-O 3.23Å; W28-Y64 VanDerWaalsContact CZ3-O 3.23Å; W28-Y64 WeakPolarHBondContact CZ3-O 3.32Å; F58-Y64 HydrophobicContact CE1-CD2 4.4Å; S62-Y64 PolarHBondContact O-N 2.91Å; S62-Y64 WeakPolarHBondContact OG-CB 2.99Å; S62-Y64 PolarHBondContact OG-N 3.13Å; S62-Y64 VanDerWaalsContact OG-N 3.07Å |
| 65 | L | 92.7 | Very high | 76.7 | Confident | 2 Ų | 2 | 88.3 Ų | 88.3 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.6 | 170.1 | -54.6 | 177.2 | 0 | 0 | 0 | 109.3 | R8 L19 A21 V43 I45 F58 S62 P63 | R8-L65 PolarHBondContact NH2-O 2.9Å; L19-L65 HydrophobicContact CD1-CD2 4.01Å; L19-L65 HydrophobicContact CD2-CD2 4.49Å; A21-L65 HydrophobicContact CB-CD2 3.92Å; V43-L65 HydrophobicContact CG2-CD1 3.67Å; I45-L65 HydrophobicContact CD1-CD2 4.25Å; I45-L65 HydrophobicContact CG1-CD2 3.89Å; F58-L65 HydrophobicContact CB-CD1 4.01Å; F58-L65 HydrophobicContact CB-CD2 4.24Å; F58-L65 HydrophobicContact CB-CG 4.27Å; F58-L65 HydrophobicContact CD2-CD2 4.18Å; F58-L65 HydrophobicContact CG-CD2 4.07Å; F58-L65 HydrophobicContact CG-CG 4.48Å; S62-L65 PolarHBondContact O-N 2.92Å; S62-L65 VanDerWaalsContact O-N 3.17Å; P63-L65 VanDerWaalsContact C-N 3.32Å |
| 66 | R | 92.6 | Very high | 74 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.9 | 173.8 | 76.3 | -178 | -167.2 | 137.5 | 2.4 | 110.3 | L19 E20 W28 E69 | L19-R66 WeakPolarHBondContact CB-O 3.02Å; E20-R66 HydrophobicContact CB-CG 3.69Å; E20-R66 PolarHBondContact N-O 2.89Å; E20-R66 PolarHBondContact O-N 3.42Å; E20-R66 IonicContact OE1-NH2 3.31Å; E20-R66 IonicContact OE2-CZ 3.94Å; E20-R66 IonicContact OE2-NE 2.64Å; E20-R66 PolarHBondContact OE2-NE 2.81Å; E20-R66 IonicContact OE2-NH2 2.62Å; E20-R66 PolarHBondContact OE2-NH2 2.81Å; W28-R66 HydrophobicContact CD2-CG 4.34Å; W28-R66 HydrophobicContact CE3-CG 3.73Å; W28-R66 HydrophobicContact CH2-CB 4Å; W28-R66 HydrophobicContact CH2-CG 4.01Å; W28-R66 HydrophobicContact CZ3-CB 3.88Å; W28-R66 HydrophobicContact CZ3-CG 3.54Å; R66-E69 IonicContact CZ-OE2 2.64Å; R66-E69 VanDerWaalsContact CZ-OE2 3.23Å; R66-E69 IonicContact NH1-OE2 3.98Å; R66-E69 PolarHBondContact NH1-OE2 3.48Å; R66-E69 IonicContact NH2-OE2 2.68Å; R66-E69 PolarHBondContact NH2-OE2 3.23Å |
| 67 | P | 90.6 | Very high | 71.3 | Confident | 34 Ų | 34 | 96 Ų | 96 | 22% | 0.221 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 142.8 | 169.5 | -27.9 | 36.5 | 0 | 0 | 0 | 112 | G10 I11 E69 I71 | G10-P67 VanDerWaalsContact O-CB 3.23Å; G10-P67 WeakPolarHBondContact O-CB 3.34Å; I11-P67 HydrophobicContact CG1-CG 3.89Å; P67-E69 PolarHBondContact O-N 2.96Å; P67-I71 HydrophobicContact CB-CD1 3.72Å; P67-I71 HydrophobicContact CB-CG1 4.19Å; P67-I71 HydrophobicContact CG-CD1 3.96Å |
| 68 | L | 84.1 | Confident | 68.2 | Low | 44 Ų | 44 | 97.9 Ų | 97.9 | 23% | 0.23 | 49% | 0.487 | C | S | . | . | trans | -58.2 | 134.4 | 165.9 | 178.9 | 67.6 | 0 | 0 | 0 | 108.4 | Q18 E20 P30 K70 | Q18-L68 HydrophobicContact CB-CD2 3.99Å; E20-L68 HydrophobicContact CG-CD1 3.89Å; P30-L68 HydrophobicContact CB-CD1 3.95Å; L68-K70 PolarHBondContact O-N 3.11Å | ||
| 69 | E | 67.3 | Low | 65.3 | Low | 141 Ų | 141 | 103.7 Ų | 103.7 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 74.2 | -169.1 | -157.8 | 164.2 | 140.3 | 0 | 0 | 112.8 | E20 R66 P67 | E20-E69 WeakPolarHBondContact OE1-CB 3.5Å; E20-E69 PolarHBondContact OE1-N 3.39Å; R66-E69 IonicContact CZ-OE2 2.64Å; R66-E69 VanDerWaalsContact CZ-OE2 3.23Å; R66-E69 IonicContact NH1-OE2 3.98Å; R66-E69 PolarHBondContact NH1-OE2 3.48Å; R66-E69 IonicContact NH2-OE2 2.68Å; R66-E69 PolarHBondContact NH2-OE2 3.23Å; P67-E69 PolarHBondContact O-N 2.96Å |
| 70 | K | 54.5 | Low | 62.4 | Low | 179 Ų | 179 | 106.7 Ų | 106.7 | 78% | 0.778 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.5 | 0.7 | 179.7 | -89.2 | -160 | 170 | -164.3 | 0 | 114.7 | L68 Q72 | L68-K70 PolarHBondContact O-N 3.11Å; K70-Q72 PolarHBondContact O-N 2.68Å |
| 71 | I | 47.4 | Very low | 59.7 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | trans | -73.6 | 92.4 | 178.9 | -25.8 | 175.8 | 0 | 0 | 0 | 110.6 | P67 L73 | P67-I71 HydrophobicContact CB-CD1 3.72Å; P67-I71 HydrophobicContact CB-CG1 4.19Å; P67-I71 HydrophobicContact CG-CD1 3.96Å; I71-L73 HydrophobicContact CB-CD2 4.48Å; I71-L73 HydrophobicContact CB-CG 4.08Å; I71-L73 HydrophobicContact CG2-CD2 3.52Å; I71-L73 HydrophobicContact CG2-CG 3.6Å; I71-L73 PolarHBondContact O-N 2.64Å | ||
| 72 | Q | 41.7 | Very low | 57.3 | Low | 172 Ų | 172 | 117 Ų | 117 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | trans | -73.5 | 81.9 | 163.2 | -68 | -174 | -1.5 | 0 | 0 | 108.5 | K70 R74 K75 | K70-Q72 PolarHBondContact O-N 2.68Å; Q72-R74 PolarHBondContact O-N 3.44Å; Q72-K75 PolarHBondContact O-N 2.72Å | ||
| 73 | L | 39.1 | Very low | 54.6 | Low | 134 Ų | 134 | 119.1 Ų | 119.1 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 61.9 | -177.1 | -76.9 | 172.2 | 0 | 0 | 0 | 113.7 | I71 | I71-L73 HydrophobicContact CB-CD2 4.48Å; I71-L73 HydrophobicContact CB-CG 4.08Å; I71-L73 HydrophobicContact CG2-CD2 3.52Å; I71-L73 HydrophobicContact CG2-CG 3.6Å; I71-L73 PolarHBondContact O-N 2.64Å |
| 74 | R | 39.5 | Very low | 52.5 | Low | 252 Ų | 252 | 120 Ų | 120 | 95% | 0.951 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.3 | 2.3 | 163.4 | -78.3 | -156.3 | 175.2 | 82.1 | 1.5 | 114 | Q72 | Q72-R74 PolarHBondContact O-N 3.44Š|
| 75 | K | 45 | Very low | 50.6 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | trans | -131.2 | 42.4 | -172.1 | -148.4 | -179.9 | -175.9 | -174.5 | 0 | 115.6 | Q72 E80 | Q72-K75 PolarHBondContact O-N 2.72Å; K75-E80 VanDerWaalsContact CE-CD 3.47Å; K75-E80 WeakPolarHBondContact CE-OE1 2.82Å; K75-E80 WeakPolarHBondContact CE-OE2 3.05Å; K75-E80 IonicContact NZ-OE1 2.73Å; K75-E80 PolarHBondContact NZ-OE1 3.15Å; K75-E80 IonicContact NZ-OE2 2.61Å; K75-E80 PolarHBondContact NZ-OE2 2.8Å | ||
| 76 | E | 37.3 | Very low | 49.9 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -115.7 | 83.6 | 164.3 | -73.8 | 170 | 156.8 | 0 | 0 | 107.2 | ||
| 77 | G | 36.8 | Very low | 49.6 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 173.4 | 8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 78 | L | 31 | Very low | 49.5 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -162 | 158.4 | 162.2 | -114.2 | 168.6 | 0 | 0 | 0 | 110.6 | ||
| 79 | H | 30.5 | Very low | 49.7 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | trans | -70.6 | 126.9 | 179.9 | -174.1 | -75.6 | 0 | 0 | 0 | 111 | E81 | H79-E81 IonicContact CE1-OE1 2.66Å; H79-E81 PolarHBondContact CE1-OE1 3.17Å; H79-E81 PolarHBondContact ND1-N 2.91Å; H79-E81 IonicContact ND1-OE1 2.8Å; H79-E81 PolarHBondContact O-N 2.79Å; H79-E81 VanDerWaalsContact O-N 3.07Å | ||
| 80 | E | 33.2 | Very low | 50.7 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | trans | -77.9 | 87.2 | 170.6 | -68.8 | -74.4 | 65.1 | 0 | 0 | 109.8 | K75 | K75-E80 VanDerWaalsContact CE-CD 3.47Å; K75-E80 WeakPolarHBondContact CE-OE1 2.82Å; K75-E80 WeakPolarHBondContact CE-OE2 3.05Å; K75-E80 IonicContact NZ-OE1 2.73Å; K75-E80 PolarHBondContact NZ-OE1 3.15Å; K75-E80 IonicContact NZ-OE2 2.61Å; K75-E80 PolarHBondContact NZ-OE2 2.8Å | ||
| 81 | E | 31.3 | Very low | 52.6 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | trans | -74.3 | 133.2 | 148.5 | -81.5 | -67.9 | 117.6 | 0 | 0 | 108.2 | H79 G83 | H79-E81 IonicContact CE1-OE1 2.66Å; H79-E81 PolarHBondContact CE1-OE1 3.17Å; H79-E81 PolarHBondContact ND1-N 2.91Å; H79-E81 IonicContact ND1-OE1 2.8Å; H79-E81 PolarHBondContact O-N 2.79Å; H79-E81 VanDerWaalsContact O-N 3.07Å; E81-G83 PolarHBondContact O-N 3.16Å | ||
| 82 | D | 38.4 | Very low | 54.7 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 93% | 0.925 | 64% | 0.639 | S | S | * | * | trans | -76.7 | 69.9 | -177.1 | -139.5 | -21.8 | 0 | 0 | 0 | 110.4 | ||||
| 83 | G | 33.5 | Very low | 57.2 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | trans | -120 | 83.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E81 S85 | E81-G83 PolarHBondContact O-N 3.16Å; G83-S85 VanDerWaalsContact C-N 3.34Å; G83-S85 PolarHBondContact O-N 2.98Å | ||
| 84 | S | 43.1 | Very low | 59.9 | Low | 118 Ų | 118 | 110.2 Ų | 110.2 | 83% | 0.825 | 58% | 0.575 | S | S | * | * | trans | -71.9 | 86.2 | 171.2 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | E86 | S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 PolarHBondContact O-N 2.96Å | ||
| 85 | S | 53.5 | Low | 62.5 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | trans | -69.8 | 81.3 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | G83 F87 | G83-S85 VanDerWaalsContact C-N 3.34Å; G83-S85 PolarHBondContact O-N 2.98Å; S85-F87 PolarHBondContact O-N 2.79Å | ||
| 86 | E | 77.2 | Confident | 64.8 | Low | 129 Ų | 129 | 93 Ų | 93 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | trans | -64.2 | 112.1 | 170.9 | -172.8 | 172.6 | -140.2 | 0 | 0 | 109.6 | S84 Q88 V110 Y116 | S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 PolarHBondContact O-N 2.96Å; E86-Q88 PolarHBondContact O-N 3.33Å; E86-V110 HydrophobicContact CG-CG1 4.08Å; E86-Y116 WeakPolarHBondContact CA-OH 3.09Å; E86-Y116 HydrophobicContact CG-CE1 4.43Å | ||
| 87 | F | 86.4 | Confident | 67.4 | Low | 16 Ų | 16 | 88.5 Ų | 88.5 | 7% | 0.07 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 126.1 | -172 | -63.8 | -65.8 | 0 | 0 | 0 | 111 | S85 E91 V93 V107 V110 Y116 V133 A135 | S85-F87 PolarHBondContact O-N 2.79Å; F87-E91 WeakPolarHBondContact CA-OE2 3.17Å; F87-V93 HydrophobicContact CB-CG1 4.13Å; F87-V93 HydrophobicContact CD1-CG1 3.76Å; F87-V93 HydrophobicContact CD2-CG1 4.3Å; F87-V93 HydrophobicContact CE1-CG1 4.22Å; F87-V93 HydrophobicContact CG-CG1 3.81Å; F87-V107 HydrophobicContact CB-CG2 4.02Å; F87-V110 WeakPolarHBondContact O-CG2 3.33Å; F87-Y116 HydrophobicContact CB-CD1 4.3Å; F87-Y116 HydrophobicContact CB-CE1 3.76Å; F87-Y116 HydrophobicContact CD2-CD2 4.38Å; F87-Y116 HydrophobicContact CD2-CE1 4.29Å; F87-Y116 AromaticContact CD2-CE2 3.73Å; F87-Y116 HydrophobicContact CD2-CE2 3.73Å; F87-Y116 AromaticContact CD2-CZ 3.68Å; F87-Y116 HydrophobicContact CE2-CE2 4.48Å; F87-Y116 PolarHBondContact N-OH 3.31Å; F87-Y116 WeakPolarHBondContact O-CE1 3.24Å; F87-V133 HydrophobicContact CD2-CB 4.23Å; F87-V133 HydrophobicContact CD2-CG1 3.59Å; F87-V133 HydrophobicContact CE2-CB 4.04Å; F87-V133 HydrophobicContact CE2-CG1 3.61Å; F87-V133 HydrophobicContact CG-CG1 4.4Å; F87-V133 HydrophobicContact CZ-CG1 4.42Å; F87-A135 HydrophobicContact CE1-CB 3.98Å; F87-A135 HydrophobicContact CZ-CB 4.42Å |
| 88 | Q | 88.2 | Confident | 69.7 | Low | 146 Ų | 146 | 89.8 Ų | 89.8 | 68% | 0.682 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 153.7 | -170.2 | -61.8 | -168.7 | 5.5 | 0 | 0 | 112.4 | E86 N90 E91 V107 | E86-Q88 PolarHBondContact O-N 3.33Å; Q88-N90 PolarHBondContact O-N 2.99Å; Q88-E91 HydrophobicContact CB-CB 4.5Å; Q88-E91 PolarHBondContact N-OE2 3.06Å; Q88-E91 WeakPolarHBondContact O-CB 3.44Å; Q88-E91 PolarHBondContact O-N 3.42Å; Q88-V107 WeakPolarHBondContact O-CB 3.42Å |
| 89 | I | 89.2 | Confident | 72.4 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 126.4 | 173.3 | -55.8 | 180 | 0 | 0 | 0 | 109 | T108 V110 | I89-T108 WeakPolarHBondContact CG2-O 3.23Å; I89-V110 HydrophobicContact CG1-CG2 3.92Å |
| 90 | N | 88.6 | Confident | 75 | Confident | 101 Ų | 101 | 83.7 Ų | 83.7 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 4.1 | -167.9 | -62 | -82.2 | 0 | 0 | 0 | 117.2 | Q88 K106 V107 | Q88-N90 PolarHBondContact O-N 2.99Å; N90-K106 WeakPolarHBondContact O-CE 3.48Å; N90-K106 WeakPolarHBondContact OD1-CE 3.48Å; N90-K106 PolarHBondContact OD1-NZ 2.87Å; N90-V107 WeakPolarHBondContact CA-O 3.47Å; N90-V107 PolarHBondContact N-O 2.71Å |
| 91 | E | 93 | Very high | 77.6 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | trans | -69.5 | 144.6 | 171.3 | -164.5 | 171.6 | 166.3 | 0 | 0 | 111.5 | F87 Q88 K106 V107 | F87-E91 WeakPolarHBondContact CA-OE2 3.17Å; Q88-E91 HydrophobicContact CB-CB 4.5Å; Q88-E91 PolarHBondContact N-OE2 3.06Å; Q88-E91 WeakPolarHBondContact O-CB 3.44Å; Q88-E91 PolarHBondContact O-N 3.42Å; E91-K106 CarbonylContact O-C 3.56Å; E91-K106 WeakPolarHBondContact O-CA 3.47Å; E91-V107 PolarHBondContact O-N 3.28Å | ||
| 92 | Q | 92.8 | Very high | 80.6 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.6 | 170.8 | -71.6 | -176.4 | -63.2 | 0 | 0 | 109.3 | A105 Y121 F136 | Q92-A105 WeakPolarHBondContact CA-O 3.33Å; Q92-Y121 PolarHBondContact NE2-OH 2.94Å; Q92-Y121 VanDerWaalsContact NE2-OH 3.07Å; Q92-F136 HydrophobicContact CB-CB 4.04Å; Q92-F136 HydrophobicContact CB-CD1 3.92Å; Q92-F136 HydrophobicContact CB-CG 4.13Å; Q92-F136 WeakPolarHBondContact O-CB 3.24Å |
| 93 | V | 94.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.1 | -175.3 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | F87 P104 A105 V107 V118 V133 K134 | F87-V93 HydrophobicContact CB-CG1 4.13Å; F87-V93 HydrophobicContact CD1-CG1 3.76Å; F87-V93 HydrophobicContact CD2-CG1 4.3Å; F87-V93 HydrophobicContact CE1-CG1 4.22Å; F87-V93 HydrophobicContact CG-CG1 3.81Å; V93-P104 WeakPolarHBondContact O-CA 3.17Å; V93-A105 HydrophobicContact CG2-CB 4.47Å; V93-A105 PolarHBondContact N-O 3.18Å; V93-A105 PolarHBondContact O-N 3.16Å; V93-A105 VanDerWaalsContact O-O 3.04Å; V93-V107 HydrophobicContact CB-CG2 4.49Å; V93-V107 HydrophobicContact CG1-CG2 3.81Å; V93-V107 HydrophobicContact CG2-CG2 3.8Å; V93-V118 HydrophobicContact CG2-CG1 4.14Å; V93-V133 HydrophobicContact CB-CG1 3.59Å; V93-V133 HydrophobicContact CG1-CG1 3.81Å; V93-V133 HydrophobicContact CG2-CG1 3.79Å; V93-K134 CarbonylContact C-O 3.47Å; V93-K134 WeakPolarHBondContact CA-O 3.42Å; V93-K134 WeakPolarHBondContact CB-O 3.1Å |
| 94 | L | 95.1 | Very high | 86.1 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.4 | 164.1 | -70.2 | 172.8 | 0 | 0 | 0 | 107.9 | F102 P104 V133 K134 F136 | L94-F102 HydrophobicContact CB-CB 4.32Å; L94-F102 HydrophobicContact CB-CD1 4.31Å; L94-P104 HydrophobicContact CD2-CB 4.02Å; L94-P104 HydrophobicContact CD2-CG 4.5Å; L94-V133 CarbonylContact O-C 3.57Å; L94-V133 WeakPolarHBondContact O-CA 3.42Å; L94-K134 HydrophobicContact CB-CB 4.21Å; L94-K134 PolarHBondContact N-O 2.92Å; L94-K134 PolarHBondContact O-N 3.36Å; L94-F136 HydrophobicContact CD2-CD2 4.01Å; L94-F136 HydrophobicContact CD2-CE2 4.46Å; L94-F136 HydrophobicContact CG-CD2 4.11Å |
| 95 | A | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F102 Y103 A105 V118 F120 H132 | A95-F102 CarbonylContact O-C 3.48Å; A95-F102 WeakPolarHBondContact O-CA 3.26Å; A95-Y103 PolarHBondContact N-O 3.26Å; A95-Y103 PolarHBondContact O-N 3.4Å; A95-A105 HydrophobicContact CB-CB 3.98Å; A95-V118 HydrophobicContact CB-CB 4.46Å; A95-V118 HydrophobicContact CB-CG1 4.46Å; A95-V118 HydrophobicContact CB-CG2 3.82Å; A95-F120 HydrophobicContact CB-CE1 3.79Å; A95-F120 HydrophobicContact CB-CZ 3.59Å; A95-H132 CarbonylContact C-O 3.6Å; A95-H132 WeakPolarHBondContact CA-O 3.32Å |
| 96 | C | 93.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 71.4 Ų | 71.4 | 10% | 0.101 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.3 | -179.9 | -156.6 | 0 | 0 | 0 | 0 | 111.1 | C100 R101 F102 H132 | C96-C100 VanDerWaalsContact SG-C 3.54Å; C96-R101 CarbonylContact C-O 3.58Å; C96-R101 WeakPolarHBondContact CA-O 3.08Å; C96-F102 HydrophobicContact CB-CD1 4.26Å; C96-F102 HydrophobicContact CB-CD2 4.47Å; C96-F102 HydrophobicContact CB-CE1 3.9Å; C96-F102 HydrophobicContact CB-CE2 4.12Å; C96-F102 HydrophobicContact CB-CZ 3.82Å; C96-H132 HydrophobicContact CB-CB 3.77Å; C96-H132 PolarHBondContact N-O 2.8Å |
| 97 | W | 90.6 | Very high | 91.5 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | trans | -93.3 | -178.7 | 175.4 | -170.8 | -106 | 0 | 0 | 0 | 111.4 | D99 C100 R101 Y103 F120 V124 | W97-D99 PolarHBondContact O-N 3.24Å; W97-C100 PolarHBondContact O-N 2.87Å; W97-C100 VanDerWaalsContact O-N 3.13Å; W97-R101 PolarHBondContact N-O 3.44Å; W97-Y103 HydrophobicContact CB-CD2 3.72Å; W97-Y103 HydrophobicContact CB-CE2 3.87Å; W97-Y103 HydrophobicContact CG-CD2 4.42Å; W97-Y103 HydrophobicContact CG-CE2 4.4Å; W97-F120 HydrophobicContact CE3-CD1 4.44Å; W97-F120 AromaticContact CE3-CD2 3.82Å; W97-F120 HydrophobicContact CE3-CD2 3.82Å; W97-F120 HydrophobicContact CE3-CE1 4.19Å; W97-F120 AromaticContact CE3-CE2 3.53Å; W97-F120 HydrophobicContact CE3-CE2 3.53Å; W97-F120 HydrophobicContact CE3-CG 4.27Å; W97-F120 AromaticContact CE3-CZ 3.73Å; W97-F120 HydrophobicContact CE3-CZ 3.73Å; W97-F120 AromaticContact CZ3-CD2 3.58Å; W97-F120 HydrophobicContact CZ3-CD2 3.58Å; W97-F120 AromaticContact CZ3-CE2 3.69Å; W97-F120 HydrophobicContact CZ3-CE2 3.69Å; W97-F120 HydrophobicContact CZ3-CG 4.15Å; W97-F120 HydrophobicContact CZ3-CZ 4.34Å; W97-V124 HydrophobicContact CH2-CB 3.92Å; W97-V124 HydrophobicContact CH2-CG1 3.73Å; W97-V124 HydrophobicContact CH2-CG2 4.33Å; W97-V124 HydrophobicContact CZ3-CB 4.28Å; W97-V124 HydrophobicContact CZ3-CG1 4.1Å | ||
| 98 | S | 86.8 | Confident | 91.8 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -13.4 | -177.3 | 54.3 | 0 | 0 | 0 | 0 | 114.9 | C100 | S98-C100 VanDerWaalsContact C-N 3.29Š|
| 99 | D | 86.3 | Confident | 92 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.2 | 173.5 | 69 | -13.3 | 0 | 0 | 0 | 113.1 | W97 R101 Y103 | W97-D99 PolarHBondContact O-N 3.24Å; D99-R101 PolarHBondContact O-N 2.9Å; D99-R101 WeakPolarHBondContact OD1-CB 3.08Å; D99-R101 PolarHBondContact OD1-N 3.28Å; D99-R101 WeakPolarHBondContact OD2-CD 3.38Å; D99-R101 WeakPolarHBondContact OD2-CG 3.28Å; D99-Y103 WeakPolarHBondContact OD2-CE2 3.37Å; D99-Y103 PolarHBondContact OD2-OH 2.92Å |
| 100 | C | 84.5 | Confident | 92.2 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 71% | 0.709 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 61.7 | 14.5 | -173.5 | -64.2 | 0 | 0 | 0 | 0 | 115.3 | C96 W97 S98 | C96-C100 VanDerWaalsContact SG-C 3.54Å; W97-C100 PolarHBondContact O-N 2.87Å; W97-C100 VanDerWaalsContact O-N 3.13Å; S98-C100 VanDerWaalsContact C-N 3.29Å |
| 101 | R | 89 | Confident | 92.2 | Very high | 165 Ų | 165 | 56.7 Ų | 56.7 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | trans | -96.4 | 151.6 | 174.7 | -59.5 | -176.9 | 179.4 | 177.7 | -1.6 | 111.2 | C96 W97 D99 Y103 | C96-R101 CarbonylContact C-O 3.58Å; C96-R101 WeakPolarHBondContact CA-O 3.08Å; W97-R101 PolarHBondContact N-O 3.44Å; D99-R101 PolarHBondContact O-N 2.9Å; D99-R101 WeakPolarHBondContact OD1-CB 3.08Å; D99-R101 PolarHBondContact OD1-N 3.28Å; D99-R101 WeakPolarHBondContact OD2-CD 3.38Å; D99-R101 WeakPolarHBondContact OD2-CG 3.28Å; R101-Y103 HydrophobicContact CB-CD2 4.4Å; R101-Y103 HydrophobicContact CB-CE2 3.66Å; R101-Y103 WeakPolarHBondContact CD-OH 3.26Å | ||
| 102 | F | 93.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112 | -179 | -78.8 | -97.3 | 0 | 0 | 0 | 110.2 | L94 A95 C96 K134 | L94-F102 HydrophobicContact CB-CB 4.32Å; L94-F102 HydrophobicContact CB-CD1 4.31Å; A95-F102 CarbonylContact O-C 3.48Å; A95-F102 WeakPolarHBondContact O-CA 3.26Å; C96-F102 HydrophobicContact CB-CD1 4.26Å; C96-F102 HydrophobicContact CB-CD2 4.47Å; C96-F102 HydrophobicContact CB-CE1 3.9Å; C96-F102 HydrophobicContact CB-CE2 4.12Å; C96-F102 HydrophobicContact CB-CZ 3.82Å; F102-K134 HydrophobicContact CD1-CD 3.73Å; F102-K134 HydrophobicContact CD1-CG 4.2Å; F102-K134 HydrophobicContact CE1-CD 3.6Å; F102-K134 HydrophobicContact CE1-CG 3.82Å; F102-K134 HydrophobicContact CG-CD 4.29Å; F102-K134 HydrophobicContact CZ-CD 4.07Å; F102-K134 VanDerWaalsContact CZ-CE 3.42Å; F102-K134 VanDerWaalsContact CZ-NZ 3.3Å |
| 103 | Y | 93.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 65.7 Ų | 65.7 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.5 | 176.5 | -60.1 | -84.1 | 0 | 0 | 0 | 110.6 | A95 W97 D99 R101 A105 | A95-Y103 PolarHBondContact N-O 3.26Å; A95-Y103 PolarHBondContact O-N 3.4Å; W97-Y103 HydrophobicContact CB-CD2 3.72Å; W97-Y103 HydrophobicContact CB-CE2 3.87Å; W97-Y103 HydrophobicContact CG-CD2 4.42Å; W97-Y103 HydrophobicContact CG-CE2 4.4Å; D99-Y103 WeakPolarHBondContact OD2-CE2 3.37Å; D99-Y103 PolarHBondContact OD2-OH 2.92Å; R101-Y103 HydrophobicContact CB-CD2 4.4Å; R101-Y103 HydrophobicContact CB-CE2 3.66Å; R101-Y103 WeakPolarHBondContact CD-OH 3.26Å; Y103-A105 PolarHBondContact O-N 3.18Å |
| 104 | P | 95 | Very high | 90.7 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.9 | 176.8 | 24.4 | -30.6 | 0 | 0 | 0 | 112 | V93 L94 Y121 F136 | V93-P104 WeakPolarHBondContact O-CA 3.17Å; L94-P104 HydrophobicContact CD2-CB 4.02Å; L94-P104 HydrophobicContact CD2-CG 4.5Å; P104-Y121 HydrophobicContact CB-CD2 4.14Å; P104-Y121 HydrophobicContact CB-CE2 3.65Å; P104-Y121 HydrophobicContact CG-CD2 3.8Å; P104-Y121 HydrophobicContact CG-CE2 3.61Å; P104-F136 HydrophobicContact CB-CD2 4.03Å; P104-F136 HydrophobicContact CB-CE2 3.76Å |
| 105 | A | 95 | Very high | 90.6 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q92 V93 A95 Y103 V118 K119 F120 | Q92-A105 WeakPolarHBondContact CA-O 3.33Å; V93-A105 HydrophobicContact CG2-CB 4.47Å; V93-A105 PolarHBondContact N-O 3.18Å; V93-A105 PolarHBondContact O-N 3.16Å; V93-A105 VanDerWaalsContact O-O 3.04Å; A95-A105 HydrophobicContact CB-CB 3.98Å; Y103-A105 PolarHBondContact O-N 3.18Å; A105-V118 HydrophobicContact CB-CB 4.11Å; A105-V118 HydrophobicContact CB-CG2 4.29Å; A105-K119 CarbonylContact C-O 3.52Å; A105-K119 VanDerWaalsContact CA-O 3.24Å; A105-K119 WeakPolarHBondContact CA-O 3.29Å; A105-K119 WeakPolarHBondContact CB-O 3.3Å; A105-F120 HydrophobicContact CB-CD1 3.78Å; A105-F120 HydrophobicContact CB-CD2 4.46Å; A105-F120 HydrophobicContact CB-CE1 4.01Å; A105-F120 HydrophobicContact CB-CG 4.03Å; A105-F120 HydrophobicContact CB-CZ 4.45Å |
| 106 | K | 96.2 | Very high | 90.5 | Very high | 90 Ų | 90 | 67 Ų | 67 | 39% | 0.391 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.8 | 177.1 | -161.2 | -170.7 | -165.4 | -160.3 | 0 | 109.8 | N90 E91 T108 V118 K119 | N90-K106 WeakPolarHBondContact O-CE 3.48Å; N90-K106 WeakPolarHBondContact OD1-CE 3.48Å; N90-K106 PolarHBondContact OD1-NZ 2.87Å; E91-K106 CarbonylContact O-C 3.56Å; E91-K106 WeakPolarHBondContact O-CA 3.47Å; K106-T108 PolarHBondContact O-N 3.12Å; K106-V118 CarbonylContact O-C 3.52Å; K106-V118 WeakPolarHBondContact O-CA 3.23Å; K106-K119 PolarHBondContact N-O 3.33Å; K106-K119 PolarHBondContact O-N 2.74Å |
| 107 | V | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 126.8 | 175.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | F87 Q88 N90 E91 V93 V110 Y116 V118 | F87-V107 HydrophobicContact CB-CG2 4.02Å; Q88-V107 WeakPolarHBondContact O-CB 3.42Å; N90-V107 WeakPolarHBondContact CA-O 3.47Å; N90-V107 PolarHBondContact N-O 2.71Å; E91-V107 PolarHBondContact O-N 3.28Å; V93-V107 HydrophobicContact CB-CG2 4.49Å; V93-V107 HydrophobicContact CG1-CG2 3.81Å; V93-V107 HydrophobicContact CG2-CG2 3.8Å; V107-V110 HydrophobicContact CG1-CG2 4.2Å; V107-Y116 HydrophobicContact CG1-CD1 4.13Å; V107-V118 HydrophobicContact CG2-CG1 4.32Å |
| 108 | T | 93.7 | Very high | 90.8 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -22.6 | 177.2 | 54.1 | 0 | 0 | 0 | 0 | 113 | I89 K106 T117 K119 | I89-T108 WeakPolarHBondContact CG2-O 3.23Å; K106-T108 PolarHBondContact O-N 3.12Å; T108-T117 PolarHBondContact N-O 2.83Å; T108-T117 PolarHBondContact OG1-O 2.97Å; T108-T117 VanDerWaalsContact OG1-O 3.13Å; T108-K119 HydrophobicContact CG2-CB 3.64Å |
| 109 | A | 91.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T117 | A109-T117 PolarHBondContact N-O 3.43Å; A109-T117 VanDerWaalsContact N-O 3.14Å; A109-T117 PolarHBondContact O-N 3.45Å |
| 110 | V | 92.5 | Very high | 91.6 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.6 | 164.6 | -172.7 | 0 | 0 | 0 | 0 | 107.3 | E86 F87 I89 V107 Y116 | E86-V110 HydrophobicContact CG-CG1 4.08Å; F87-V110 WeakPolarHBondContact O-CG2 3.33Å; I89-V110 HydrophobicContact CG1-CG2 3.92Å; V107-V110 HydrophobicContact CG1-CG2 4.2Å; V110-Y116 HydrophobicContact CB-CD1 4.38Å; V110-Y116 HydrophobicContact CB-CE1 4.46Å; V110-Y116 HydrophobicContact CG1-CD1 4.12Å; V110-Y116 HydrophobicContact CG1-CE1 3.85Å; V110-Y116 HydrophobicContact CG2-CD1 3.98Å; V110-Y116 HydrophobicContact CG2-CE1 3.99Å |
| 111 | N | 89.9 | Confident | 91.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -98.5 | 146.3 | -178.5 | -56.1 | -42.9 | 0 | 0 | 0 | 110.2 | D113 G114 T115 T117 T127 | N111-D113 WeakPolarHBondContact CB-OD1 3.39Å; N111-D113 PolarHBondContact O-N 3.4Å; N111-G114 PolarHBondContact O-N 3.32Å; N111-G114 VanDerWaalsContact O-N 3.11Å; N111-T115 VanDerWaalsContact CB-O 3.31Å; N111-T115 WeakPolarHBondContact CB-O 3.33Å; N111-T115 WeakPolarHBondContact CB-OG1 3.5Å; N111-T115 PolarHBondContact N-O 3.35Å; N111-T115 PolarHBondContact ND2-OG1 3.16Å; N111-T117 PolarHBondContact ND2-OG1 2.86Å; N111-T127 WeakPolarHBondContact ND2-CG2 3.45Å | ||
| 112 | K | 83.2 | Confident | 91.7 | Very high | 228 Ų | 228 | 61 Ų | 61 | 99% | 0.991 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -0.4 | -174 | -59.9 | -177.5 | -179.8 | -179.1 | 0 | 115.1 | ||
| 113 | D | 84.3 | Confident | 91.4 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 4.3 | 177.5 | 67.5 | -16 | 0 | 0 | 0 | 113.2 | N111 T115 | N111-D113 WeakPolarHBondContact CB-OD1 3.39Å; N111-D113 PolarHBondContact O-N 3.4Å; D113-T115 WeakPolarHBondContact OD1-CB 3.5Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.83Å; D113-T115 WeakPolarHBondContact OD2-CG2 3.25Å; D113-T115 PolarHBondContact OD2-OG1 3.02Å |
| 114 | G | 81.2 | Confident | 91.3 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 80.1 | 20.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N111 H130 | N111-G114 PolarHBondContact O-N 3.32Å; N111-G114 VanDerWaalsContact O-N 3.11Å; G114-H130 PolarHBondContact O-N 3Å; G114-H130 VanDerWaalsContact O-N 3.16Å |
| 115 | T | 91.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.104 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.5 | 167.7 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | N111 D113 T127 V128 K129 | N111-T115 VanDerWaalsContact CB-O 3.31Å; N111-T115 WeakPolarHBondContact CB-O 3.33Å; N111-T115 WeakPolarHBondContact CB-OG1 3.5Å; N111-T115 PolarHBondContact N-O 3.35Å; N111-T115 PolarHBondContact ND2-OG1 3.16Å; D113-T115 WeakPolarHBondContact OD1-CB 3.5Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.83Å; D113-T115 WeakPolarHBondContact OD2-CG2 3.25Å; D113-T115 PolarHBondContact OD2-OG1 3.02Å; T115-T127 HydrophobicContact CG2-CG2 4.49Å; T115-T127 WeakPolarHBondContact OG1-CG2 3.28Å; T115-V128 CarbonylContact C-O 3.58Å; T115-V128 WeakPolarHBondContact CA-O 3.5Å; T115-V128 WeakPolarHBondContact CB-O 3.35Å; T115-K129 HydrophobicContact CG2-CG 4.09Å |
| 116 | Y | 94.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.4 | 173.2 | -60.3 | -77.2 | 0 | 0 | 0 | 108.5 | E86 F87 V107 V110 T127 V128 H130 V133 | E86-Y116 WeakPolarHBondContact CA-OH 3.09Å; E86-Y116 HydrophobicContact CG-CE1 4.43Å; F87-Y116 HydrophobicContact CB-CD1 4.3Å; F87-Y116 HydrophobicContact CB-CE1 3.76Å; F87-Y116 HydrophobicContact CD2-CD2 4.38Å; F87-Y116 HydrophobicContact CD2-CE1 4.29Å; F87-Y116 AromaticContact CD2-CE2 3.73Å; F87-Y116 HydrophobicContact CD2-CE2 3.73Å; F87-Y116 AromaticContact CD2-CZ 3.68Å; F87-Y116 HydrophobicContact CE2-CE2 4.48Å; F87-Y116 PolarHBondContact N-OH 3.31Å; F87-Y116 WeakPolarHBondContact O-CE1 3.24Å; V107-Y116 HydrophobicContact CG1-CD1 4.13Å; V110-Y116 HydrophobicContact CB-CD1 4.38Å; V110-Y116 HydrophobicContact CB-CE1 4.46Å; V110-Y116 HydrophobicContact CG1-CD1 4.12Å; V110-Y116 HydrophobicContact CG1-CE1 3.85Å; V110-Y116 HydrophobicContact CG2-CD1 3.98Å; V110-Y116 HydrophobicContact CG2-CE1 3.99Å; Y116-T127 WeakPolarHBondContact O-CA 3.48Å; Y116-V128 PolarHBondContact N-O 3.4Å; Y116-V128 WeakPolarHBondContact O-CG2 3.37Å; Y116-V128 PolarHBondContact O-N 3.16Å; Y116-H130 HydrophobicContact CD2-CB 4.45Å; Y116-H130 HydrophobicContact CE2-CB 3.83Å; Y116-H130 AromaticContact CE2-CD2 3.8Å; Y116-H130 AromaticContact CE2-CG 3.73Å; Y116-H130 PolarHBondContact OH-CD2 2.9Å; Y116-V133 HydrophobicContact CD2-CB 4.13Å; Y116-V133 HydrophobicContact CD2-CG1 4.47Å; Y116-V133 HydrophobicContact CD2-CG2 3.79Å; Y116-V133 HydrophobicContact CG-CG2 4.41Å |
| 117 | T | 94.2 | Very high | 91 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123 | 162.1 | -54.7 | 0 | 0 | 0 | 0 | 107.2 | T108 A109 N111 V125 Q126 T127 | T108-T117 PolarHBondContact N-O 2.83Å; T108-T117 PolarHBondContact OG1-O 2.97Å; T108-T117 VanDerWaalsContact OG1-O 3.13Å; A109-T117 PolarHBondContact N-O 3.43Å; A109-T117 VanDerWaalsContact N-O 3.14Å; A109-T117 PolarHBondContact O-N 3.45Å; N111-T117 PolarHBondContact ND2-OG1 2.86Å; T117-V125 HydrophobicContact CG2-CG1 3.47Å; T117-V125 VanDerWaalsContact CG2-CG1 3.47Å; T117-Q126 CarbonylContact C-O 3.57Å; T117-Q126 WeakPolarHBondContact CA-O 3.24Å; T117-T127 PolarHBondContact OG1-OG1 2.99Å |
| 118 | V | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.6 | -175.6 | -58 | 0 | 0 | 0 | 0 | 110.3 | V93 A95 A105 K106 V107 F120 V125 Q126 V128 | V93-V118 HydrophobicContact CG2-CG1 4.14Å; A95-V118 HydrophobicContact CB-CB 4.46Å; A95-V118 HydrophobicContact CB-CG1 4.46Å; A95-V118 HydrophobicContact CB-CG2 3.82Å; A105-V118 HydrophobicContact CB-CB 4.11Å; A105-V118 HydrophobicContact CB-CG2 4.29Å; K106-V118 CarbonylContact O-C 3.52Å; K106-V118 WeakPolarHBondContact O-CA 3.23Å; V107-V118 HydrophobicContact CG2-CG1 4.32Å; V118-F120 HydrophobicContact CG2-CD2 4.34Å; V118-F120 HydrophobicContact CG2-CE2 3.69Å; V118-F120 HydrophobicContact CG2-CZ 4.07Å; V118-V125 CarbonylContact O-C 3.49Å; V118-V125 VanDerWaalsContact O-CA 3.3Å; V118-V125 WeakPolarHBondContact O-CA 3.18Å; V118-Q126 PolarHBondContact N-O 2.64Å; V118-Q126 PolarHBondContact O-N 2.7Å; V118-V128 HydrophobicContact CG1-CG2 3.92Å; V118-V128 HydrophobicContact CG2-CG2 3.82Å |
| 119 | K | 95.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.3 | 174.1 | -178.7 | 171.5 | 178.7 | 173.3 | 0 | 110.1 | A105 K106 T108 G123 V124 V125 | A105-K119 CarbonylContact C-O 3.52Å; A105-K119 VanDerWaalsContact CA-O 3.24Å; A105-K119 WeakPolarHBondContact CA-O 3.29Å; A105-K119 WeakPolarHBondContact CB-O 3.3Å; K106-K119 PolarHBondContact N-O 3.33Å; K106-K119 PolarHBondContact O-N 2.74Å; T108-K119 HydrophobicContact CG2-CB 3.64Å; K119-G123 VanDerWaalsContact CE-CA 3.41Å; K119-G123 VanDerWaalsContact CE-O 3.26Å; K119-G123 WeakPolarHBondContact CE-O 3.38Å; K119-V124 CarbonylContact C-O 3.54Å; K119-V124 WeakPolarHBondContact CA-O 3.37Å; K119-V125 HydrophobicContact CB-CG2 4.06Å; K119-V125 HydrophobicContact CD-CG2 4.14Å; K119-V125 HydrophobicContact CG-CG2 3.97Å |
| 120 | F | 94.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 166.4 | 176.9 | -67.1 | -92.3 | 0 | 0 | 0 | 111.2 | A95 W97 A105 V118 D122 G123 V124 Q126 | A95-F120 HydrophobicContact CB-CE1 3.79Å; A95-F120 HydrophobicContact CB-CZ 3.59Å; W97-F120 HydrophobicContact CE3-CD1 4.44Å; W97-F120 AromaticContact CE3-CD2 3.82Å; W97-F120 HydrophobicContact CE3-CD2 3.82Å; W97-F120 HydrophobicContact CE3-CE1 4.19Å; W97-F120 AromaticContact CE3-CE2 3.53Å; W97-F120 HydrophobicContact CE3-CE2 3.53Å; W97-F120 HydrophobicContact CE3-CG 4.27Å; W97-F120 AromaticContact CE3-CZ 3.73Å; W97-F120 HydrophobicContact CE3-CZ 3.73Å; W97-F120 AromaticContact CZ3-CD2 3.58Å; W97-F120 HydrophobicContact CZ3-CD2 3.58Å; W97-F120 AromaticContact CZ3-CE2 3.69Å; W97-F120 HydrophobicContact CZ3-CE2 3.69Å; W97-F120 HydrophobicContact CZ3-CG 4.15Å; W97-F120 HydrophobicContact CZ3-CZ 4.34Å; A105-F120 HydrophobicContact CB-CD1 3.78Å; A105-F120 HydrophobicContact CB-CD2 4.46Å; A105-F120 HydrophobicContact CB-CE1 4.01Å; A105-F120 HydrophobicContact CB-CG 4.03Å; A105-F120 HydrophobicContact CB-CZ 4.45Å; V118-F120 HydrophobicContact CG2-CD2 4.34Å; V118-F120 HydrophobicContact CG2-CE2 3.69Å; V118-F120 HydrophobicContact CG2-CZ 4.07Å; F120-D122 VanDerWaalsContact C-N 3.29Å; F120-D122 VanDerWaalsContact CB-OD1 3.23Å; F120-D122 WeakPolarHBondContact CB-OD1 3.4Å; F120-D122 PolarHBondContact O-N 3.21Å; F120-G123 WeakPolarHBondContact O-CA 3.27Å; F120-G123 PolarHBondContact O-N 3.35Å; F120-V124 PolarHBondContact N-O 2.92Å; F120-Q126 HydrophobicContact CE2-CB 4.08Å |
| 121 | Y | 88.2 | Confident | 90.5 | Very high | 163 Ų | 163 | 73.4 Ų | 73.4 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.6 | -176.5 | -82.8 | -57 | 0 | 0 | 0 | 114.4 | Q92 P104 G123 | Q92-Y121 PolarHBondContact NE2-OH 2.94Å; Q92-Y121 VanDerWaalsContact NE2-OH 3.07Å; P104-Y121 HydrophobicContact CB-CD2 4.14Å; P104-Y121 HydrophobicContact CB-CE2 3.65Å; P104-Y121 HydrophobicContact CG-CD2 3.8Å; P104-Y121 HydrophobicContact CG-CE2 3.61Å; Y121-G123 PolarHBondContact O-N 2.99Å |
| 122 | D | 87.3 | Confident | 90.5 | Very high | 111 Ų | 111 | 75 Ų | 75 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.7 | 170.3 | 64.9 | -6.8 | 0 | 0 | 0 | 113.2 | F120 V124 | F120-D122 VanDerWaalsContact C-N 3.29Å; F120-D122 VanDerWaalsContact CB-OD1 3.23Å; F120-D122 WeakPolarHBondContact CB-OD1 3.4Å; F120-D122 PolarHBondContact O-N 3.21Å; D122-V124 PolarHBondContact OD1-N 3.25Å; D122-V124 WeakPolarHBondContact OD2-CG2 3.3Å |
| 123 | G | 86.6 | Confident | 90.8 | Very high | 31 Ų | 31 | 64.6 Ų | 64.6 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 99.5 | -5.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K119 F120 Y121 | K119-G123 VanDerWaalsContact CE-CA 3.41Å; K119-G123 VanDerWaalsContact CE-O 3.26Å; K119-G123 WeakPolarHBondContact CE-O 3.38Å; F120-G123 WeakPolarHBondContact O-CA 3.27Å; F120-G123 PolarHBondContact O-N 3.35Å; Y121-G123 PolarHBondContact O-N 2.99Å |
| 124 | V | 92.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 64 Ų | 64 | 42% | 0.418 | 33% | 0.331 | S | S | . | . | trans | -72.1 | 140.8 | -178.6 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | W97 K119 F120 D122 | W97-V124 HydrophobicContact CH2-CB 3.92Å; W97-V124 HydrophobicContact CH2-CG1 3.73Å; W97-V124 HydrophobicContact CH2-CG2 4.33Å; W97-V124 HydrophobicContact CZ3-CB 4.28Å; W97-V124 HydrophobicContact CZ3-CG1 4.1Å; K119-V124 CarbonylContact C-O 3.54Å; K119-V124 WeakPolarHBondContact CA-O 3.37Å; F120-V124 PolarHBondContact N-O 2.92Å; D122-V124 PolarHBondContact OD1-N 3.25Å; D122-V124 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 125 | V | 93.8 | Very high | 91.6 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.7 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | T117 V118 K119 | T117-V125 HydrophobicContact CG2-CG1 3.47Å; T117-V125 VanDerWaalsContact CG2-CG1 3.47Å; V118-V125 CarbonylContact O-C 3.49Å; V118-V125 VanDerWaalsContact O-CA 3.3Å; V118-V125 WeakPolarHBondContact O-CA 3.18Å; K119-V125 HydrophobicContact CB-CG2 4.06Å; K119-V125 HydrophobicContact CD-CG2 4.14Å; K119-V125 HydrophobicContact CG-CG2 3.97Å |
| 126 | Q | 92.4 | Very high | 91.3 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.8 | -177.9 | -164.2 | -179.1 | 19.6 | 0 | 0 | 110.3 | T117 V118 F120 V128 | T117-Q126 CarbonylContact C-O 3.57Å; T117-Q126 WeakPolarHBondContact CA-O 3.24Å; V118-Q126 PolarHBondContact N-O 2.64Å; V118-Q126 PolarHBondContact O-N 2.7Å; F120-Q126 HydrophobicContact CE2-CB 4.08Å; Q126-V128 HydrophobicContact CG-CG1 4.25Å |
| 127 | T | 94.2 | Very high | 90.5 | Very high | 78 Ų | 78 | 70 Ų | 70 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.7 | 170.7 | -56.6 | 0 | 0 | 0 | 0 | 110 | N111 T115 Y116 T117 | N111-T127 WeakPolarHBondContact ND2-CG2 3.45Å; T115-T127 HydrophobicContact CG2-CG2 4.49Å; T115-T127 WeakPolarHBondContact OG1-CG2 3.28Å; Y116-T127 WeakPolarHBondContact O-CA 3.48Å; T117-T127 PolarHBondContact OG1-OG1 2.99Å |
| 128 | V | 92.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.8 | -173.6 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | T115 Y116 V118 Q126 H132 V133 | T115-V128 CarbonylContact C-O 3.58Å; T115-V128 WeakPolarHBondContact CA-O 3.5Å; T115-V128 WeakPolarHBondContact CB-O 3.35Å; Y116-V128 PolarHBondContact N-O 3.4Å; Y116-V128 WeakPolarHBondContact O-CG2 3.37Å; Y116-V128 PolarHBondContact O-N 3.16Å; V118-V128 HydrophobicContact CG1-CG2 3.92Å; V118-V128 HydrophobicContact CG2-CG2 3.82Å; Q126-V128 HydrophobicContact CG-CG1 4.25Å; V128-H132 HydrophobicContact CB-CB 4.21Å; V128-V133 HydrophobicContact CB-CG2 4.38Å; V128-V133 HydrophobicContact CG2-CG2 3.43Å; V128-V133 VanDerWaalsContact CG2-CG2 3.43Å |
| 129 | K | 91.7 | Very high | 86.6 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 154.8 | 176.7 | -65.7 | 179.5 | 178.1 | -179 | 0 | 110.6 | T115 I131 H132 | T115-K129 HydrophobicContact CG2-CG 4.09Å; K129-I131 HydrophobicContact CB-CG1 3.77Å; K129-I131 PolarHBondContact O-N 3.12Å; K129-I131 VanDerWaalsContact O-N 3.09Å; K129-H132 WeakPolarHBondContact O-CA 3.42Å; K129-H132 WeakPolarHBondContact O-CB 3.48Å; K129-H132 PolarHBondContact O-N 3.41Å |
| 130 | H | 87.4 | Confident | 84.5 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -48.9 | -38.5 | 174.9 | -169.7 | -35.8 | 0 | 0 | 0 | 113.9 | G114 Y116 H132 V133 | G114-H130 PolarHBondContact O-N 3Å; G114-H130 VanDerWaalsContact O-N 3.16Å; Y116-H130 HydrophobicContact CD2-CB 4.45Å; Y116-H130 HydrophobicContact CE2-CB 3.83Å; Y116-H130 AromaticContact CE2-CD2 3.8Å; Y116-H130 AromaticContact CE2-CG 3.73Å; Y116-H130 PolarHBondContact OH-CD2 2.9Å; H130-H132 PolarHBondContact O-N 2.82Å; H130-H132 VanDerWaalsContact O-N 3.11Å; H130-V133 PolarHBondContact O-N 3.03Å |
| 131 | I | 89.9 | Confident | 82 | Confident | 129 Ų | 129 | 91.3 Ų | 91.3 | 66% | 0.662 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -61.7 | -16.5 | 176.5 | 54.8 | 161.4 | 0 | 0 | 0 | 114.5 | K129 | K129-I131 HydrophobicContact CB-CG1 3.77Å; K129-I131 PolarHBondContact O-N 3.12Å; K129-I131 VanDerWaalsContact O-N 3.09Å |
| 132 | H | 91 | Very high | 79.8 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 38% | 0.384 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -105 | 12 | 179.3 | -64.4 | 177.9 | 0 | 0 | 0 | 112 | A95 C96 V128 K129 H130 | A95-H132 CarbonylContact C-O 3.6Å; A95-H132 WeakPolarHBondContact CA-O 3.32Å; C96-H132 HydrophobicContact CB-CB 3.77Å; C96-H132 PolarHBondContact N-O 2.8Å; V128-H132 HydrophobicContact CB-CB 4.21Å; K129-H132 WeakPolarHBondContact O-CA 3.42Å; K129-H132 WeakPolarHBondContact O-CB 3.48Å; K129-H132 PolarHBondContact O-N 3.41Å; H130-H132 PolarHBondContact O-N 2.82Å; H130-H132 VanDerWaalsContact O-N 3.11Å |
| 133 | V | 89.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 92.4 Ų | 92.4 | 6% | 0.055 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.6 | 177.7 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | F87 V93 L94 Y116 V128 H130 | F87-V133 HydrophobicContact CD2-CB 4.23Å; F87-V133 HydrophobicContact CD2-CG1 3.59Å; F87-V133 HydrophobicContact CE2-CB 4.04Å; F87-V133 HydrophobicContact CE2-CG1 3.61Å; F87-V133 HydrophobicContact CG-CG1 4.4Å; F87-V133 HydrophobicContact CZ-CG1 4.42Å; V93-V133 HydrophobicContact CB-CG1 3.59Å; V93-V133 HydrophobicContact CG1-CG1 3.81Å; V93-V133 HydrophobicContact CG2-CG1 3.79Å; L94-V133 CarbonylContact O-C 3.57Å; L94-V133 WeakPolarHBondContact O-CA 3.42Å; Y116-V133 HydrophobicContact CD2-CB 4.13Å; Y116-V133 HydrophobicContact CD2-CG1 4.47Å; Y116-V133 HydrophobicContact CD2-CG2 3.79Å; Y116-V133 HydrophobicContact CG-CG2 4.41Å; V128-V133 HydrophobicContact CB-CG2 4.38Å; V128-V133 HydrophobicContact CG2-CG2 3.43Å; V128-V133 VanDerWaalsContact CG2-CG2 3.43Å; H130-V133 PolarHBondContact O-N 3.03Å |
| 134 | K | 91.9 | Very high | 74.9 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.5 | 177.7 | -65.8 | 168.9 | -178.2 | 160.1 | 0 | 109.6 | V93 L94 F102 | V93-K134 CarbonylContact C-O 3.47Å; V93-K134 WeakPolarHBondContact CA-O 3.42Å; V93-K134 WeakPolarHBondContact CB-O 3.1Å; L94-K134 HydrophobicContact CB-CB 4.21Å; L94-K134 PolarHBondContact N-O 2.92Å; L94-K134 PolarHBondContact O-N 3.36Å; F102-K134 HydrophobicContact CD1-CD 3.73Å; F102-K134 HydrophobicContact CD1-CG 4.2Å; F102-K134 HydrophobicContact CE1-CD 3.6Å; F102-K134 HydrophobicContact CE1-CG 3.82Å; F102-K134 HydrophobicContact CG-CD 4.29Å; F102-K134 HydrophobicContact CZ-CD 4.07Å; F102-K134 VanDerWaalsContact CZ-CE 3.42Å; F102-K134 VanDerWaalsContact CZ-NZ 3.3Å |
| 135 | A | 89.1 | Confident | 71.8 | Confident | 54 Ų | 54 | 99 Ų | 99 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 144.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F87 S137 | F87-A135 HydrophobicContact CE1-CB 3.98Å; F87-A135 HydrophobicContact CZ-CB 4.42Å; A135-S137 PolarHBondContact O-N 2.91Å |
| 136 | F | 86.4 | Confident | 68.7 | Low | 59 Ų | 59 | 99.8 Ų | 99.8 | 26% | 0.259 | 55% | 0.548 | S | S | . | . | trans | -91.1 | 89 | 173.9 | -177.4 | -103 | 0 | 0 | 0 | 110.2 | Q92 L94 P104 K138 | Q92-F136 HydrophobicContact CB-CB 4.04Å; Q92-F136 HydrophobicContact CB-CD1 3.92Å; Q92-F136 HydrophobicContact CB-CG 4.13Å; Q92-F136 WeakPolarHBondContact O-CB 3.24Å; L94-F136 HydrophobicContact CD2-CD2 4.01Å; L94-F136 HydrophobicContact CD2-CE2 4.46Å; L94-F136 HydrophobicContact CG-CD2 4.11Å; P104-F136 HydrophobicContact CB-CD2 4.03Å; P104-F136 HydrophobicContact CB-CE2 3.76Å; F136-K138 PolarHBondContact O-N 2.78Å | ||
| 137 | S | 77.6 | Confident | 65.7 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | trans | -66.2 | 123.6 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | A135 D139 | A135-S137 PolarHBondContact O-N 2.91Å; S137-D139 VanDerWaalsContact C-N 3.25Å; S137-D139 PolarHBondContact O-N 2.81Å | ||
| 138 | K | 59.5 | Low | 62.8 | Low | 159 Ų | 159 | 109.6 Ų | 109.6 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -72.8 | -17.6 | -169.4 | -142.1 | 170.4 | -173.1 | 176.3 | 0 | 114.2 | F136 Q140 | F136-K138 PolarHBondContact O-N 2.78Å; K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 2.9Å |
| 139 | D | 48.4 | Very low | 59.7 | Low | 131 Ų | 131 | 114.9 Ų | 114.9 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -81.1 | -2.6 | -169.9 | -47.8 | -57.7 | 0 | 0 | 0 | 114.5 | S137 N141 | S137-D139 VanDerWaalsContact C-N 3.25Å; S137-D139 PolarHBondContact O-N 2.81Å; D139-N141 PolarHBondContact O-N 3.39Å |
| 140 | Q | 51 | Low | 56.9 | Low | 151 Ų | 151 | 116.4 Ų | 116.4 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -74.3 | 13.9 | 176.5 | -64.9 | -169 | -3.8 | 0 | 0 | 114.4 | K138 | K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 2.9Å |
| 141 | N | 41 | Very low | 54.1 | Low | 137 Ų | 137 | 115.7 Ų | 115.7 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -95.8 | 10.2 | 173.7 | -81.5 | -79.1 | 0 | 0 | 0 | 114 | D139 | D139-N141 PolarHBondContact O-N 3.39Š|
| 142 | I | 41.9 | Very low | 51.1 | Low | 150 Ų | 150 | 116 Ų | 116 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -120.1 | 26.7 | -177.1 | -32.7 | -176.6 | 0 | 0 | 0 | 113.3 | ||
| 143 | V | 37.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 89% | 0.885 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -143.4 | 92.9 | 155.2 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 144 | G | 33.5 | Very low | 45.2 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | 172.5 | 33.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 145 | N | 27.3 | Very low | 42 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | -153.9 | 102.5 | 163.8 | -109.1 | -13.8 | 0 | 0 | 0 | 110.6 | ||||
| 146 | A | 29.2 | Very low | 39.1 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -139 | 90.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 147 | R | 29.3 | Very low | 36.1 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | 177.7 | 152.3 | 172.8 | -104 | 167.6 | -157.5 | -116.6 | 4.5 | 109.2 | ||||
| 148 | P | 32 | Very low | 33.4 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -98 | -164.1 | -41.1 | 39.8 | -29.1 | 0 | 0 | 0 | 108.9 | ||||
| 149 | K | 28.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 137 Ų | 137 | 52% | 0.522 | 76% | 0.76 | S | S | . | * | trans | -117.8 | 158.5 | 140.1 | -58.7 | -172.5 | 174.1 | -164 | 0 | 107 | S617 E619 | K149-S617 WeakPolarHBondContact CE-OG 3.48Å; K149-S617 PolarHBondContact NZ-OG 3.39Å; K149-E619 WeakPolarHBondContact CA-OE1 3.39Å; K149-E619 HydrophobicContact CB-CB 4.2Å; K149-E619 WeakPolarHBondContact CB-OE1 3.4Å; K149-E619 HydrophobicContact CD-CB 3.91Å | ||
| 150 | E | 32.7 | Very low | 30.9 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -131 | 140.6 | 160.4 | -67 | -179 | 138.2 | 0 | 0 | 109 | S618 E619 | E150-S618 WeakPolarHBondContact O-CB 3.33Å; E150-S618 PolarHBondContact O-OG 3.42Å; E150-E619 VanDerWaalsContact CA-CD 3.47Å; E150-E619 WeakPolarHBondContact CA-OE1 3.28Å; E150-E619 WeakPolarHBondContact CA-OE2 3.45Å; E150-E619 PolarHBondContact N-OE1 2.82Å | ||
| 151 | T | 28.2 | Very low | 29.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 46% | 0.46 | 77% | 0.766 | S | S | . | * | trans | -96.6 | 127.3 | 171.4 | -98.8 | 0 | 0 | 0 | 0 | 109.5 | S618 E619 | T151-S618 WeakPolarHBondContact OG1-CB 3.39Å; T151-E619 PolarHBondContact N-OE1 3.21Å; T151-E619 VanDerWaalsContact N-OE1 3.11Å; T151-E619 PolarHBondContact N-OE2 3.14Å; T151-E619 WeakPolarHBondContact OG1-CG 3.44Å; T151-E619 PolarHBondContact OG1-O 3.07Å | ||
| 152 | D | 27.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -93.4 | 135 | -169 | -148.9 | -30.8 | 0 | 0 | 0 | 112 | K154 | D152-K154 PolarHBondContact OD1-N 3.35Š| ||
| 153 | H | 28.3 | Very low | 28.7 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -136.9 | 55.7 | 167.3 | -101.1 | -80.7 | 0 | 0 | 0 | 113.8 | ||||
| 154 | K | 28.8 | Very low | 28.6 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | 57.4 | 100 | 142.4 | -73.2 | 178.2 | 175.2 | 167.3 | 0 | 119.2 | D152 | D152-K154 PolarHBondContact OD1-N 3.35Š| ||
| 155 | S | 24.9 | Very low | 28.4 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -152.8 | 144.9 | 140.9 | 79.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 156 | L | 26.7 | Very low | 28.4 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | cis | -162.5 | 169.9 | -16.6 | -123.2 | 178 | 0 | 0 | 0 | 110.6 | ||||
| 157 | S | 23.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | 79.5 | 160.7 | 162.1 | -151.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 158 | S | 21.1 | Very low | 28.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -137.1 | 138.8 | -159.8 | 56.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 159 | S | 22.6 | Very low | 28.5 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | 60.4 | 170.3 | 154.4 | -102.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 160 | P | 33.5 | Very low | 28.7 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -124.5 | 172.7 | -1.8 | 41.1 | -27 | 0 | 0 | 0 | 115.4 | ||||
| 161 | D | 26.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | -83.4 | 168.7 | 161.3 | -176.1 | 15 | 0 | 0 | 0 | 111 | ||||
| 162 | K | 30 | Very low | 28.6 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 93.7 | 141.7 | -178.4 | -63.1 | 162.3 | -172.2 | 166.2 | 0 | 115.3 | ||||
| 163 | R | 31.3 | Very low | 28.6 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | cis | -173 | 169.2 | -12.5 | -164.6 | -168.4 | -168.7 | -158.4 | 15.9 | 110.6 | ||||
| 164 | E | 35.4 | Very low | 28.4 | Very low | 107 Ų | 107 | 147 Ų | 147 | 50% | 0.5 | 75% | 0.753 | S | S | . | * | trans | 86.7 | 138.5 | 149 | -106.4 | 175.5 | -114.4 | 0 | 0 | 116.6 | F166 | E164-F166 HydrophobicContact CG-CD2 4.02Å; E164-F166 HydrophobicContact CG-CE2 4.04Å | ||
| 165 | K | 28.9 | Very low | 28.3 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | cis | -134.5 | 141 | 25.7 | -106 | 169.2 | -170.9 | 171.8 | 0 | 113.7 | ||||
| 166 | F | 27.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | 56.9 | 140 | 105.9 | -80.7 | -121.9 | 0 | 0 | 0 | 114.9 | E164 | E164-F166 HydrophobicContact CG-CD2 4.02Å; E164-F166 HydrophobicContact CG-CE2 4.04Å | |||
| 167 | K | 30.8 | Very low | 28.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | cis | -145.7 | 177.6 | 20.3 | -93.3 | -163.4 | 172.8 | -131.8 | 0 | 108.6 | ||||
| 168 | E | 32.3 | Very low | 28.9 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | cis | -171.2 | 172.3 | -25.9 | -179.5 | 168 | 167.4 | 0 | 0 | 106.7 | ||||
| 169 | Q | 29 | Very low | 29.1 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | trans | -63.1 | 171 | 177.7 | -58.8 | 176.1 | -6.7 | 0 | 0 | 113.1 | ||||
| 170 | R | 32.9 | Very low | 29.5 | Very low | 217 Ų | 217 | 151.7 Ų | 151.7 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | cis | -161.6 | 178.3 | 25.4 | -139.5 | 147.3 | -164.9 | 172.1 | 7.8 | 112.2 | ||||
| 171 | K | 34.4 | Very low | 29.1 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -52.5 | 160.9 | 175.1 | -49.1 | 176.3 | 179 | -179.6 | 0 | 112.3 | ||||
| 172 | A | 25.6 | Very low | 29 | Very low | 79 Ų | 79 | 153.5 Ų | 153.5 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | cis | -170.4 | 163.3 | 35.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 173 | T | 26.6 | Very low | 29 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | 60.9 | 156.2 | 146.3 | 50.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 174 | V | 24 | Very low | 29.1 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | 102.6 | 130.9 | 158.5 | -174.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 175 | N | 27.6 | Very low | 28.7 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -104.8 | 141.6 | 173.7 | -66.1 | -19.4 | 0 | 0 | 0 | 112 | ||||
| 176 | V | 27.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -146.1 | 109.7 | 161.1 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 177 | K | 31.2 | Very low | 28.8 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | 55 | 144.9 | 99.9 | -66.3 | -179.6 | 178.3 | 174.7 | 0 | 114.3 | |||||
| 178 | K | 27.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | cis | -165.3 | 167.1 | 20.2 | -142.6 | 178.1 | 159.9 | -83.6 | 0 | 112.1 | ||||
| 179 | D | 26.4 | Very low | 28.5 | Very low | 118 Ų | 118 | 149 Ų | 149 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | trans | 61.5 | 174.3 | 152.1 | -62.1 | -30.3 | 0 | 0 | 0 | 121.4 | ||||
| 180 | K | 31.5 | Very low | 28.2 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | -173.5 | 128.7 | -51.9 | -163 | 168.9 | -169.3 | -78.8 | 0 | 109.7 | |||||
| 181 | E | 25 | Very low | 28.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | 55.1 | 144.4 | 157.3 | -74.6 | 163.6 | 176.1 | 0 | 0 | 124.2 | ||||
| 182 | D | 23.6 | Very low | 28.4 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 98.3 | 158.9 | 136.7 | -108.4 | -47.5 | 0 | 0 | 0 | 125.8 | ||||
| 183 | K | 29 | Very low | 28.3 | Very low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.726 | 73% | 0.734 | S | S | * | * | trans | -81.3 | 168.5 | -172.2 | -114.3 | 168.7 | -173.8 | 166 | 0 | 113.1 | ||||
| 184 | P | 33.9 | Very low | 28.8 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | -152.4 | -134.7 | 66.6 | 41.9 | -18.1 | 0 | 0 | 0 | 117 | |||||
| 185 | L | 26.5 | Very low | 28.8 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | trans | -151 | 162.9 | -149.1 | -83 | 163.5 | 0 | 0 | 0 | 114.7 | ||||
| 186 | K | 29.5 | Very low | 29 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | trans | 71.2 | 166.5 | 150.6 | -79.3 | 173.1 | 174.8 | -177.5 | 0 | 118 | ||||
| 187 | T | 29.3 | Very low | 28.8 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | cis | -152.6 | 171.2 | 10 | -10.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 188 | E | 29.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 55% | 0.547 | 72% | 0.718 | S | S | . | * | cis | -135 | -101.3 | 5 | -168.6 | -150.2 | 135 | 0 | 0 | 111.9 | R190 | E188-R190 WeakPolarHBondContact OE1-CD 3.46Š| ||
| 189 | K | 28.8 | Very low | 28.5 | Very low | 175 Ų | 175 | 144 Ų | 144 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | cis | -148.9 | -170.9 | -12.2 | -151.2 | 143.2 | -167.7 | 76.9 | 0 | 112.8 | ||||
| 190 | R | 21.8 | Very low | 28.3 | Very low | 160 Ų | 160 | 145 Ų | 145 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | -158.3 | 173.6 | -150 | -95.2 | -175.7 | 138.6 | -164.9 | -6.1 | 114.8 | E188 | E188-R190 WeakPolarHBondContact OE1-CD 3.46Š| ||
| 191 | P | 46.2 | Very low | 27.9 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | cis | -110.3 | -175.3 | 1.9 | 42.2 | -32.8 | 0 | 0 | 0 | 112.6 | ||||
| 192 | K | 24.7 | Very low | 27.7 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -122.1 | -151.1 | 6.1 | -59 | 170.8 | -175.7 | 175.3 | 0 | 108.2 | ||||
| 193 | Q | 23.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | cis | 72 | 159.6 | -3.1 | -79.3 | 178.4 | -89.8 | 0 | 0 | 119.7 | ||||
| 194 | P | 36.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -88.7 | -157.7 | -6.8 | 43.9 | -38.9 | 0 | 0 | 0 | 110.5 | ||||
| 195 | D | 25.6 | Very low | 27.1 | Very low | 120 Ų | 120 | 144 Ų | 144 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | cis | -140.9 | -86.3 | -1.9 | -165 | 35.8 | 0 | 0 | 0 | 114.2 | ||||
| 196 | K | 29.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -147.1 | 154.7 | -159.8 | -76.1 | 179.3 | -160.2 | 71 | 0 | 111.4 | ||||
| 197 | E | 25 | Very low | 26.9 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | cis | -165.5 | 149.9 | -10.6 | 169.8 | 164.8 | -134.3 | 0 | 0 | 108.5 | ||||
| 198 | G | 27.4 | Very low | 26.5 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 145.9 | 91.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 199 | K | 24.3 | Very low | 26.2 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -161.3 | 146.1 | 164.6 | -151.1 | -159.5 | 170 | -176.3 | 0 | 112.3 | ||||
| 200 | L | 22 | Very low | 25.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | 67.4 | 128.5 | 166.6 | -57.1 | 171.4 | 0 | 0 | 0 | 118.1 | ||||
| 201 | I | 24.1 | Very low | 26.2 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | 174.3 | 172.9 | 114.5 | -89.3 | 165.9 | 0 | 0 | 0 | 109.5 | |||||
| 202 | C | 20.9 | Very low | 25 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -38.7 | 161.8 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 203 | S | 25.7 | Very low | 25 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -155.1 | 162.4 | 41.9 | -51.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | E | 22.7 | Very low | 25.6 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 44.9 | 124.8 | 66.3 | -104.1 | -158.8 | 116.2 | 0 | 0 | 113.1 | |||||
| 205 | K | 25.5 | Very low | 24.9 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | cis | -139.1 | 173.5 | 5.4 | -66.3 | 162 | -177.7 | 169.4 | 0 | 106.3 | ||||
| 206 | G | 26 | Very low | 24.8 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | cis | 130 | 124.2 | 5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 207 | K | 24.8 | Very low | 24.6 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | 73.4 | 114.2 | 167.6 | -66 | -173.7 | 174.8 | -176.1 | 0 | 121.6 | ||||
| 208 | V | 21 | Very low | 24.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | 43.2 | 116.1 | 114.9 | -177.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 209 | S | 23.5 | Very low | 24.8 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | -169.8 | 119.7 | 115 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 210 | E | 23.5 | Very low | 24.8 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | 86.6 | 141.2 | 86.6 | -72.6 | -142.5 | 109 | 0 | 0 | 117 | |||||
| 211 | K | 26.1 | Very low | 25.3 | Very low | 156 Ų | 156 | 143 Ų | 143 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 64.5 | 108.9 | 141.6 | -75.1 | 167.5 | -176.6 | 142.9 | 0 | 122.2 | ||||
| 212 | S | 22.2 | Very low | 25.5 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 55.3 | 142.1 | 121.9 | 65.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 213 | L | 24.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -39.2 | 135.7 | 161 | -58.1 | 165.2 | 0 | 0 | 0 | 114 | ||||
| 214 | P | 35.8 | Very low | 25.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | -147.9 | -167 | 106.5 | 39.9 | -24.8 | 0 | 0 | 0 | 114.1 | |||||
| 215 | K | 22.8 | Very low | 26.2 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | -176.9 | 131.1 | -68 | 174.9 | 174.8 | 176.9 | -177.6 | 0 | 110.7 | |||||
| 216 | N | 22.4 | Very low | 26.4 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | trans | 62.9 | 173.3 | 170.7 | -61.5 | -3 | 0 | 0 | 0 | 115.4 | ||||
| 217 | E | 25.8 | Very low | 26.5 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | cis | -127.6 | 152.2 | 12.4 | -78.4 | -178.1 | 138.4 | 0 | 0 | 111.2 | ||||
| 218 | K | 28.5 | Very low | 26.6 | Very low | 151 Ų | 151 | 138 Ų | 138 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | 53.5 | 135 | 70.7 | -86.2 | 173.5 | 153.9 | -86.6 | 0 | 112.5 | |||||
| 219 | E | 27.6 | Very low | 27.2 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | cis | -142.4 | -173 | -2.8 | -125.7 | 141.6 | 170.4 | 0 | 0 | 108.1 | ||||
| 220 | D | 26.4 | Very low | 27.4 | Very low | 138 Ų | 138 | 146 Ų | 146 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | cis | -170 | -170.1 | 49.4 | -145.7 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 221 | K | 30.5 | Very low | 27.7 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | trans | -69 | 164.3 | -171.2 | -63.8 | 169.2 | -170.1 | -172.5 | 0 | 113.5 | ||||
| 222 | E | 29.4 | Very low | 28.1 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | -154.3 | 126.5 | 60.8 | -70.1 | -172.6 | 155.4 | 0 | 0 | 116.1 | |||||
| 223 | N | 26.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | trans | 55.5 | -179.4 | 132.9 | -80.3 | -16.7 | 0 | 0 | 0 | 120.4 | T551 | N223-T551 HydrophobicContact CB-CG2 3.69Š| ||
| 224 | I | 28.2 | Very low | 28.5 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 42% | 0.415 | 72% | 0.722 | S | S | . | * | trans | 151.1 | 56.7 | -176.8 | -53.6 | 172.6 | 0 | 0 | 0 | 122.8 | K549 K550 T551 | I224-K549 HydrophobicContact CD1-CD 4.32Å; I224-K550 HydrophobicContact CB-CB 3.78Å; I224-K550 HydrophobicContact CB-CD 4.19Å; I224-K550 HydrophobicContact CD1-CB 4.27Å; I224-K550 HydrophobicContact CG1-CB 3.58Å; I224-K550 WeakPolarHBondContact CG1-O 3.42Å; I224-K550 HydrophobicContact CG2-CB 3.63Å; I224-K550 HydrophobicContact CG2-CD 3.28Å; I224-K550 HydrophobicContact CG2-CG 3.88Å; I224-K550 VanDerWaalsContact O-CD 3.23Å; I224-K550 WeakPolarHBondContact O-CD 3.5Å; I224-K550 WeakPolarHBondContact O-CE 3.4Å; I224-K550 PolarHBondContact O-NZ 3.15Å; I224-T551 VanDerWaalsContact CA-OG1 3.24Å; I224-T551 WeakPolarHBondContact CA-OG1 3.04Å; I224-T551 WeakPolarHBondContact CG1-OG1 3.31Å; I224-T551 PolarHBondContact N-OG1 3.41Å | ||
| 225 | S | 29.2 | Very low | 28.4 | Very low | 50 Ų | 50 | 141.9 Ų | 141.9 | 35% | 0.35 | 72% | 0.715 | S | S | . | * | trans | -159.1 | 111.2 | 166.7 | 63.3 | 0 | 0 | 0 | 0 | 125.8 | K550 T551 K552 | S225-K550 VanDerWaalsContact CA-CB 3.4Å; S225-K550 VanDerWaalsContact CA-CG 3.47Å; S225-T551 PolarHBondContact N-OG1 2.83Å; S225-T551 VanDerWaalsContact N-OG1 3.15Å; S225-T551 CarbonylContact O-C 3.54Å; S225-T551 WeakPolarHBondContact O-CA 3.31Å; S225-T551 PolarHBondContact O-N 3.23Å; S225-K552 PolarHBondContact OG-N 2.9Å | ||
| 226 | E | 29.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | trans | 165.6 | 136.9 | 169.8 | -119.5 | -176.8 | -178.4 | 0 | 0 | 121.4 | K549 | E226-K549 CarbonylContact O-C 3.52Å; E226-K549 VanDerWaalsContact O-C 3.29Å | ||
| 227 | N | 27.6 | Very low | 28.8 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -6.1 | 152.9 | 170.6 | -78.9 | -10.6 | 0 | 0 | 0 | 129.1 | ||||
| 228 | D | 27.1 | Very low | 29 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | -165.3 | 171.5 | 115.4 | -141.4 | -22.1 | 0 | 0 | 0 | 114.7 | |||||
| 229 | R | 34.6 | Very low | 29.1 | Very low | 219 Ų | 219 | 139.5 Ų | 139.5 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -117.3 | -167.4 | -158 | -151.3 | 173.5 | 179.7 | 171.7 | -1 | 116.6 | ||||
| 230 | E | 27.6 | Very low | 29.2 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | 83.7 | 155.7 | 165.8 | -53.1 | -176.3 | 143.5 | 0 | 0 | 121.3 | ||||
| 231 | Y | 29.8 | Very low | 30 | Very low | 215 Ų | 215 | 139.3 Ų | 139.3 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | cis | -170.9 | 142.1 | -43.5 | -176 | -127.6 | 0 | 0 | 0 | 111.8 | ||||
| 232 | S | 35.2 | Very low | 29.9 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | 56.7 | 162 | 156.5 | -88.6 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 233 | G | 27.5 | Very low | 29.7 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | 132.9 | 64.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 234 | D | 27.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | 53.5 | 127.9 | 108.3 | -87.4 | -46 | 0 | 0 | 0 | 116.1 | |||||
| 235 | A | 32.1 | Very low | 29.8 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | cis | -150.8 | -160.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 236 | Q | 28.4 | Very low | 29.8 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | cis | -160.9 | -169.6 | 7.3 | -144.1 | -173.8 | 6.6 | 0 | 0 | 105.9 | ||||
| 237 | V | 27.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 65% | 0.648 | 75% | 0.747 | S | S | * | * | cis | -159.7 | -178.4 | 4.5 | 73.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 238 | D | 28.1 | Very low | 29.8 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 57% | 0.572 | 74% | 0.744 | S | S | * | * | trans | -24 | 151.7 | 162.9 | -69.8 | -16 | 0 | 0 | 0 | 120 | ||||
| 239 | K | 31.6 | Very low | 30.6 | Very low | 177 Ų | 177 | 140 Ų | 140 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -160.7 | 156.4 | -4.9 | -115.3 | 157.7 | -168.9 | 142.7 | 0 | 111.4 | ||||
| 240 | K | 30 | Very low | 30.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | trans | -96.7 | 158.9 | 165.2 | -132.4 | 175.6 | 172.9 | -160.3 | 0 | 109.8 | E242 | K240-E242 VanDerWaalsContact CD-CD 3.47Å; K240-E242 HydrophobicContact CD-CG 4.13Å; K240-E242 WeakPolarHBondContact CD-OE1 3.49Å; K240-E242 VanDerWaalsContact CE-CG 3.47Å; K240-E242 VanDerWaalsContact CE-OE2 3.31Å; K240-E242 WeakPolarHBondContact CE-OE2 3.25Å; K240-E242 HydrophobicContact CG-CG 4.4Å; K240-E242 WeakPolarHBondContact CG-OE1 3.37Å; K240-E242 IonicContact NZ-OE1 2.8Å; K240-E242 IonicContact NZ-OE2 3.83Å; K240-E242 PolarHBondContact NZ-OE2 3.33Å | ||
| 241 | P | 43.6 | Very low | 30 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | -137.5 | -158 | 88.3 | 42.4 | -29.9 | 0 | 0 | 0 | 113.8 | |||||
| 242 | E | 26.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 56% | 0.561 | 73% | 0.727 | S | S | * | * | trans | -135.9 | -172 | -169.7 | -61.3 | 104.4 | -78.4 | 0 | 0 | 114.1 | K240 | K240-E242 VanDerWaalsContact CD-CD 3.47Å; K240-E242 HydrophobicContact CD-CG 4.13Å; K240-E242 WeakPolarHBondContact CD-OE1 3.49Å; K240-E242 VanDerWaalsContact CE-CG 3.47Å; K240-E242 VanDerWaalsContact CE-OE2 3.31Å; K240-E242 WeakPolarHBondContact CE-OE2 3.25Å; K240-E242 HydrophobicContact CG-CG 4.4Å; K240-E242 WeakPolarHBondContact CG-OE1 3.37Å; K240-E242 IonicContact NZ-OE1 2.8Å; K240-E242 IonicContact NZ-OE2 3.83Å; K240-E242 PolarHBondContact NZ-OE2 3.33Å | ||
| 243 | N | 27.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | 105.9 | 111.6 | 159 | -62.4 | 2.2 | 0 | 0 | 0 | 118.8 | ||||
| 244 | D | 27.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 70.1 | 139.5 | 123.5 | -80.5 | -47.1 | 0 | 0 | 0 | 125.8 | |||||
| 245 | I | 29 | Very low | 30 | Very low | 142 Ų | 142 | 144 Ų | 144 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | trans | 83.8 | 110.4 | 134.6 | -76.2 | 169.5 | 0 | 0 | 0 | 121.5 | ||||
| 246 | V | 28.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | 86.6 | 119.3 | 137.2 | 165.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 247 | K | 29.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | 43.8 | 137.1 | 144 | -60.8 | 179.7 | 179.1 | 179.2 | 0 | 122.8 | ||||
| 248 | S | 28.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -58.6 | 176.8 | 159.9 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 249 | P | 42.8 | Very low | 31.3 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | cis | -133.9 | 169.4 | -0.5 | 41.1 | -26.2 | 0 | 0 | 0 | 115.7 | ||||
| 250 | Q | 24.3 | Very low | 31.3 | Very low | 198 Ų | 198 | 157.8 Ų | 157.8 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -170.1 | 172.1 | 132.5 | -115 | -177.1 | -14.5 | 0 | 0 | 114 | ||||
| 251 | E | 25.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -107.9 | 174.8 | -164.6 | -51.7 | 173.1 | 78.5 | 0 | 0 | 116.5 | ||||
| 252 | N | 24.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | 76.3 | 90.7 | 143 | -75.8 | -48.7 | 0 | 0 | 0 | 120.8 | ||||
| 253 | L | 37.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 159 Ų | 159 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | 34 | 134.5 | 106.7 | -78.8 | 154.2 | 0 | 0 | 0 | 119.4 | |||||
| 254 | R | 26.1 | Very low | 32.8 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -130.9 | 100.6 | 153.7 | -76.7 | -166.6 | 172.8 | -165.1 | -0.2 | 112.9 | ||||
| 255 | E | 31.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | 7.3 | 155.6 | 114.9 | -134.6 | -153.8 | -99.3 | 0 | 0 | 117.3 | K257 | E255-K257 PolarHBondContact OE2-N 2.91Š| |||
| 256 | P | 43.5 | Very low | 33 | Very low | 102 Ų | 102 | 158.1 Ų | 158.1 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | -153.2 | 156.3 | 86.4 | 42.8 | -25.4 | 0 | 0 | 0 | 118.7 | |||||
| 257 | K | 28.4 | Very low | 33.1 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 94.9 | 138.4 | 154 | -52 | 171.5 | -170.3 | 171.5 | 0 | 118.9 | E255 | E255-K257 PolarHBondContact OE2-N 2.91Š| ||
| 258 | R | 33.9 | Very low | 33.7 | Very low | 214 Ų | 214 | 153 Ų | 153 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | cis | -175.7 | 118 | -40.1 | -113.3 | 170.9 | -175.5 | -160.2 | 0.3 | 112.9 | ||||
| 259 | K | 37.8 | Very low | 33.7 | Very low | 205 Ų | 205 | 154.2 Ų | 154.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | 42.2 | 148.4 | 141.7 | -55.8 | -165.2 | 177.9 | -169.1 | 0 | 121.3 | ||||
| 260 | R | 33.1 | Very low | 33 | Very low | 242 Ų | 242 | 152.7 Ų | 152.7 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | cis | -162 | 170.6 | 16.2 | 47.3 | 170.7 | 177.1 | 179.6 | -0.8 | 109.3 | ||||
| 261 | G | 28.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | 122 | 102.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 262 | R | 29.5 | Very low | 33.4 | Very low | 236 Ų | 236 | 148.4 Ų | 148.4 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -168.6 | 134.2 | 167.8 | 172.9 | 177.7 | -107.3 | -105 | 6.6 | 113.6 | ||||
| 263 | P | 51.7 | Low | 33.8 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -104.3 | -177.6 | 160.1 | 40.8 | -32.2 | 0 | 0 | 0 | 111.5 | ||||
| 264 | P | 48.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -146.3 | -149.7 | 34.1 | 45.5 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 265 | S | 28.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -74.6 | 156.1 | -168.8 | -177.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 266 | I | 32 | Very low | 33.6 | Very low | 168 Ų | 168 | 143 Ų | 143 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | trans | -176.9 | 154.1 | 139.9 | -95.3 | 154.7 | 0 | 0 | 0 | 109.9 | ||||
| 267 | A | 29.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -109.1 | 165.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 268 | P | 43 | Very low | 32.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -153.7 | 178.4 | 106.5 | 41.1 | -23.3 | 0 | 0 | 0 | 117.6 | |||||
| 269 | T | 27.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -33.3 | 160.4 | 161.1 | 48 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 270 | A | 29 | Very low | 32.9 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | -176.1 | -161.8 | -9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 271 | V | 28.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 98.2 | 119.4 | 157.9 | -169.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 272 | D | 28.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 29.7 | 123 | 154 | -52.9 | -18.8 | 0 | 0 | 0 | 122.5 | ||||
| 273 | S | 33.5 | Very low | 33.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | -170.7 | 142.9 | 99.2 | -79.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 274 | N | 27.3 | Very low | 32.3 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -125.2 | 124.4 | 175.5 | 172.1 | 15.4 | 0 | 0 | 0 | 109.3 | ||||
| 275 | S | 33.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -177.2 | 129.8 | 144.3 | -87 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 276 | Q | 31.1 | Very low | 31.4 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 61.4 | 119.6 | 130.6 | -63.1 | -172.8 | -21.7 | 0 | 0 | 122.1 | ||||
| 277 | T | 26.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 57.2 | 122.7 | 113.7 | -42.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 278 | L | 27.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | 178.3 | 123.4 | 116.3 | -93.6 | 167.3 | 0 | 0 | 0 | 112.3 | |||||
| 279 | Q | 29.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -98.9 | 170.3 | 140.3 | -76.1 | -158.9 | 18.6 | 0 | 0 | 107.9 | ||||
| 280 | P | 43.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -123.4 | -176.8 | -9.4 | 37.9 | -23.3 | 0 | 0 | 0 | 112.2 | ||||
| 281 | I | 29.8 | Very low | 31.1 | Very low | 170 Ų | 170 | 154 Ų | 154 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -164.4 | 150.7 | 141.6 | -107.1 | 157 | 0 | 0 | 0 | 109.8 | ||||
| 282 | T | 32.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -128 | 165.1 | -170.7 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 283 | L | 32.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 81.1 | 120.8 | 162.2 | -54.3 | -177.1 | 0 | 0 | 0 | 120.4 | ||||
| 284 | E | 36 | Very low | 30.8 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 67.2 | 154.1 | 131.7 | -65.7 | -68.8 | 178.1 | 0 | 0 | 119 | ||||
| 285 | L | 29.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 60% | 0.597 | 78% | 0.778 | S | S | * | * | cis | -161.2 | 148.1 | 18 | -139.6 | 173.5 | 0 | 0 | 0 | 109.8 | ||||
| 286 | R | 27.7 | Very low | 30.6 | Very low | 239 Ų | 239 | 155.2 Ų | 155.2 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -174.8 | 130.2 | 139.9 | -105.4 | 162.8 | -164.8 | 88.9 | -8 | 115.1 | ||||
| 287 | R | 32.5 | Very low | 31.2 | Very low | 228 Ų | 228 | 152.6 Ų | 152.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -106.1 | 166.5 | 170.6 | -67.2 | 178.9 | 174 | -119.5 | 4.5 | 112.1 | ||||
| 288 | R | 31.1 | Very low | 31.4 | Very low | 253 Ų | 253 | 153.9 Ų | 153.9 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | trans | -128.4 | 172.3 | 154.7 | -74.5 | -171.3 | 170.4 | 177.9 | -2.4 | 111 | ||||
| 289 | K | 31.2 | Very low | 31.5 | Very low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -150.4 | 172.4 | -155.8 | -115.2 | -174.8 | 171.2 | -178.3 | 0 | 111 | ||||
| 290 | I | 32.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | cis | -114.2 | -103.1 | 9.2 | -45.6 | 166.9 | 0 | 0 | 0 | 112.9 | ||||
| 291 | S | 27.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 157.3 Ų | 157.3 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | -161.3 | 116.1 | -3.4 | 176.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 292 | K | 30.3 | Very low | 31.4 | Very low | 205 Ų | 205 | 158.5 Ų | 158.5 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | 63.7 | 137.4 | 162.9 | -59.9 | 178 | -179.6 | -178.5 | 0 | 118.7 | ||||
| 293 | G | 27.8 | Very low | 31.4 | Very low | 69 Ų | 69 | 160.9 Ų | 160.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 168.6 | 160.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 294 | C | 27.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | 65.8 | 147.6 | 173.6 | -70.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 295 | E | 25.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 158.5 Ų | 158.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | -141.3 | 179.2 | -3 | -116.9 | -54.2 | 130 | 0 | 0 | 110 | ||||
| 296 | V | 31.1 | Very low | 31 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -119.4 | 176.4 | -171.4 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 297 | P | 42.7 | Very low | 30.9 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -133.8 | -144.3 | 14.5 | 37.7 | -11.9 | 0 | 0 | 0 | 113 | ||||
| 298 | L | 31 | Very low | 30.7 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -161.7 | -180 | 9.8 | -133.9 | -171.4 | 0 | 0 | 0 | 111.8 | ||||
| 299 | K | 29.8 | Very low | 30.5 | Very low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | 65.7 | 107.2 | 159 | -70.3 | -174 | 178.3 | 179.2 | 0 | 121.9 | ||||
| 300 | R | 29.5 | Very low | 30.2 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | trans | -90.3 | -177.6 | 149.5 | -50.9 | 178.5 | 177.2 | 112.4 | -7.9 | 109.8 | R302 | R300-R302 HydrophobicContact CB-CB 4.27Š| ||
| 301 | P | 42.8 | Very low | 30 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | -119.2 | 159.3 | 65.7 | 2.6 | 20.5 | 0 | 0 | 0 | 112.7 | |||||
| 302 | R | 29.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | cis | 85.3 | 105.4 | 17.3 | -150.4 | -168.9 | -156.3 | -175.6 | 5 | 115.8 | R300 | R300-R302 HydrophobicContact CB-CB 4.27Š| ||
| 303 | L | 31.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | 178.2 | 157.7 | 131.7 | -110.1 | 115.8 | 0 | 0 | 0 | 109.2 | ||||
| 304 | D | 29.7 | Very low | 30 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 53% | 0.529 | 76% | 0.757 | S | S | . | * | cis | -170.2 | 163.7 | -43.2 | -150.1 | -10.6 | 0 | 0 | 0 | 110.2 | ||||
| 305 | K | 33.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | trans | 65.1 | 156.6 | 166.8 | -83.3 | 55.6 | 175.8 | 174.9 | 0 | 119.5 | ||||
| 306 | N | 27.1 | Very low | 29.9 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -179.8 | 145 | -41.3 | -108.4 | 15.3 | 0 | 0 | 0 | 112.1 | ||||
| 307 | S | 25.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 66 | 159.7 | 147.8 | -134.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 308 | S | 28.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 152.8 Ų | 152.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | -145.5 | 163.5 | 6.7 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 309 | Q | 25.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 153 Ų | 153 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -8.2 | 163.6 | 138.3 | -71.1 | 158.2 | -109.1 | 0 | 0 | 119.6 | ||||
| 310 | E | 25.4 | Very low | 28.7 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -152 | -160.4 | 30.6 | -156 | 130.7 | -133.2 | 0 | 0 | 116.1 | ||||
| 311 | K | 29.4 | Very low | 28.8 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | trans | -135 | 142.8 | -167.2 | -61.3 | 171.9 | 178.1 | 170.9 | 0 | 114.9 | ||||
| 312 | S | 29.7 | Very low | 28 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -171.7 | 149.1 | 139.6 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 313 | K | 31.8 | Very low | 28.1 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | cis | 81.4 | 98.7 | 23.2 | -89 | -158.2 | 171.7 | -165 | 0 | 117.6 | ||||
| 314 | N | 23.9 | Very low | 27.9 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | 175.7 | 176.5 | 107.9 | -86.4 | -15.1 | 0 | 0 | 0 | 114.5 | |||||
| 315 | Y | 23.5 | Very low | 28.1 | Very low | 234 Ų | 234 | 149.6 Ų | 149.6 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 176.7 | 177.4 | -99.2 | -120.3 | 0 | 0 | 0 | 113.8 | ||||
| 316 | S | 26.8 | Very low | 28.1 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | cis | -154.4 | 176.4 | 15.2 | 52 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 317 | E | 24.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 79.1 | 101.1 | 142 | -82.5 | 157.2 | 115.9 | 0 | 0 | 125.4 | ||||
| 318 | N | 26 | Very low | 28.5 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 45.2 | 129 | 115.5 | -70 | -7.9 | 0 | 0 | 0 | 124.2 | |||||
| 319 | T | 29.3 | Very low | 28.8 | Very low | 147 Ų | 147 | 160 Ų | 160 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -179.4 | 157.7 | 127.2 | 20.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 320 | D | 28.4 | Very low | 29.4 | Very low | 126 Ų | 126 | 163.5 Ų | 163.5 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | cis | -155.7 | 153.7 | -49.2 | -174.5 | 21.5 | 0 | 0 | 0 | 108.1 | ||||
| 321 | R | 30.7 | Very low | 29.9 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 161.8 | 167.8 | -48.7 | -148.1 | 174.8 | -154.8 | -2.3 | 119.4 | ||||
| 322 | D | 27.7 | Very low | 30 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | cis | -144.2 | -177.2 | -1.7 | -134.9 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 323 | L | 30.9 | Very low | 30.1 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 140.1 | -159.7 | -72.6 | 156.3 | 0 | 0 | 0 | 122.3 | ||||
| 324 | S | 27.6 | Very low | 30.3 | Very low | 92 Ų | 92 | 157.4 Ų | 157.4 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | 74.2 | 130.5 | 121.8 | -69.1 | 0 | 0 | 0 | 0 | 127 | |||||
| 325 | R | 32.5 | Very low | 31.1 | Very low | 219 Ų | 219 | 153.5 Ų | 153.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 84.6 | 113.8 | 131.4 | -75.6 | 178.5 | -173 | -140.5 | 1.5 | 124.3 | ||||
| 326 | R | 33.8 | Very low | 31.7 | Very low | 226 Ų | 226 | 147.6 Ų | 147.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | 58.3 | 116.6 | 126.3 | -69.4 | -170.3 | 174.6 | -163 | -1.2 | 122.8 | |||||
| 327 | R | 34.1 | Very low | 32.1 | Very low | 252 Ų | 252 | 150.9 Ų | 150.9 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | trans | 19.4 | 127.4 | 133.5 | -72.2 | -174.8 | 175.4 | -178.9 | -1.7 | 120.2 | ||||
| 328 | S | 27.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 150 Ų | 150 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -160.4 | -174.6 | 131 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 329 | S | 35.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -144.6 | 139.7 | -168.5 | 58.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 330 | R | 38.3 | Very low | 33.4 | Very low | 227 Ų | 227 | 151.4 Ų | 151.4 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | 74.4 | 121.2 | 162.5 | -67 | -173.3 | 176.1 | -154.5 | -1.7 | 120 | ||||
| 331 | L | 35.1 | Very low | 34.1 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 66 | 148.9 | 142.4 | -57.2 | 171.3 | 0 | 0 | 0 | 118.8 | ||||
| 332 | S | 31.9 | Very low | 35.7 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | cis | -172 | 152.4 | -16.9 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 333 | T | 32.5 | Very low | 36 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 172.1 | 128.3 | 142 | 36.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 334 | N | 36.3 | Very low | 36.5 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 30.1 | 154.9 | 136 | -51.5 | 12.8 | 0 | 0 | 0 | 122.6 | ||||
| 335 | G | 40.5 | Very low | 36.7 | Very low | 69 Ų | 69 | 151.6 Ų | 151.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 156.6 | 152.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 336 | T | 36.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 147 Ų | 147 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | 179.5 | 169.4 | 174.6 | 34.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 337 | H | 34.2 | Very low | 37 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -148.2 | 156.9 | -13.5 | -94.3 | -37.2 | 0 | 0 | 0 | 106.3 | ||||
| 338 | E | 35.5 | Very low | 36.8 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | cis | 87.6 | 133.5 | 21 | -57.6 | 142 | -129 | 0 | 0 | 115.8 | ||||
| 339 | I | 37.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | cis | -162.6 | 152.3 | -26.3 | 44 | 171.3 | 0 | 0 | 0 | 109.3 | ||||
| 340 | L | 34.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -172 | 132 | 132.5 | -108.4 | 177.4 | 0 | 0 | 0 | 114.9 | ||||
| 341 | D | 43.1 | Very low | 37.6 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -170.8 | 172.3 | -170.9 | -151.1 | 35.1 | 0 | 0 | 0 | 106.5 | ||||
| 342 | P | 65.6 | Low | 37.8 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -128.5 | -155.3 | -3.5 | 45.3 | -28.7 | 0 | 0 | 0 | 112.9 | ||||
| 343 | D | 32.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -127.3 | -165.2 | 161.3 | -151.5 | 149.8 | 0 | 0 | 0 | 110.7 | ||||
| 344 | L | 41.4 | Very low | 38.3 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -127 | -162 | -163.8 | -57.3 | 175.5 | 0 | 0 | 0 | 113.6 | ||||
| 345 | V | 32.4 | Very low | 38 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | trans | 75.7 | 135.5 | 168.5 | 170.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 346 | V | 33.5 | Very low | 37.5 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | cis | -171.2 | 150.3 | -6.6 | 131 | 0 | 0 | 0 | 0 | 104 | ||||
| 347 | S | 38.7 | Very low | 37 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | cis | -177 | 167.6 | -7.3 | -92.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 348 | D | 31.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | cis | -162.2 | 168.3 | -6.9 | -116 | 36.8 | 0 | 0 | 0 | 109 | ||||
| 349 | L | 43.5 | Very low | 35.9 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | 42.6 | 118 | 148.5 | -60.4 | 170.2 | 0 | 0 | 0 | 119.2 | ||||
| 350 | V | 38 | Very low | 35.3 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | cis | -154.1 | 176.3 | 24.8 | -108.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 351 | D | 35.4 | Very low | 34.7 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -148.3 | -151.6 | 20 | -144.1 | -56.3 | 0 | 0 | 0 | 113.1 | ||||
| 352 | T | 39.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | -127.4 | 164.1 | -165.9 | 58 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 353 | D | 28.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | cis | -169 | -177.9 | 6.9 | -128 | 22.8 | 0 | 0 | 0 | 108.2 | ||||
| 354 | P | 46.8 | Very low | 31.8 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 56% | 0.558 | 72% | 0.721 | S | S | * | * | -142.7 | -176.3 | -51.5 | 36.1 | -15.3 | 0 | 0 | 0 | 115.2 | |||||
| 355 | L | 30.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 125 Ų | 125 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | 68.1 | 156.2 | 159.3 | -49.3 | -173 | 0 | 0 | 0 | 118.3 | ||||
| 356 | Q | 28.6 | Very low | 31.1 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 71% | 0.708 | S | S | * | * | cis | -159.1 | 153 | -19 | -119.6 | -176 | -44.9 | 0 | 0 | 112.7 | ||||
| 357 | D | 25.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | trans | 35.6 | 138 | 132 | -68.4 | -30.9 | 0 | 0 | 0 | 124.6 | ||||
| 358 | T | 25.6 | Very low | 30.5 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | 88.1 | 116.9 | 125.5 | -75.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 359 | L | 21.8 | Very low | 30.2 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | 49.7 | 157.7 | 137 | -60.1 | 177.3 | 0 | 0 | 0 | 124.4 | ||||
| 360 | S | 24.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 78.7 | 143 | 157.3 | 76.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 361 | S | 20.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | cis | 89.6 | 57.4 | 15.2 | -166 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 362 | T | 27 | Very low | 29 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -144.7 | 130.8 | 137.9 | 8.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 363 | K | 27 | Very low | 28.4 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | cis | 78.5 | 140 | 25.2 | -146.9 | 172.9 | 172.6 | -86.1 | 0 | 113.5 | ||||
| 364 | E | 28.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | 68.9 | 147.9 | -177.6 | -76.2 | 119.7 | -129 | 0 | 0 | 116.7 | ||||
| 365 | S | 29.5 | Very low | 28 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 57% | 0.566 | 74% | 0.739 | S | S | * | * | cis | -142.7 | 153.6 | 8 | -145.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 366 | E | 28.6 | Very low | 28 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 57.3 | 153.1 | 150.4 | -74.7 | 149.7 | 144.4 | 0 | 0 | 119.8 | ||||
| 367 | E | 29.9 | Very low | 27.9 | Very low | 193 Ų | 193 | 130 Ų | 130 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | cis | -149.7 | -179.4 | 12.4 | -145.4 | 179.2 | 173.1 | 0 | 0 | 110.7 | ||||
| 368 | G | 29.1 | Very low | 28.1 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 111.6 | 41.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 369 | Q | 26.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | 52 | 95.8 | 129.2 | -156.5 | 75.5 | -39.1 | 0 | 0 | 122.6 | |||||
| 370 | L | 28.8 | Very low | 28.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | 57.7 | 116.4 | 133.1 | -57.9 | 176.4 | 0 | 0 | 0 | 124.4 | ||||
| 371 | K | 32.6 | Very low | 28.7 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | 81.4 | 129.4 | 124.4 | -74.1 | 178.3 | 174.9 | 174.4 | 0 | 123.3 | |||||
| 372 | S | 29.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 80.8 | 148.7 | 137.2 | 77.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 373 | T | 27.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -169.3 | 138.3 | -14.1 | -101.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 374 | L | 33.4 | Very low | 29.2 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | 63 | 153.1 | 156.1 | -79.6 | 171.1 | 0 | 0 | 0 | 123.8 | ||||
| 375 | E | 31.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 114.4 | 148.7 | -74.6 | -66.1 | 93.4 | 0 | 0 | 123.3 | ||||
| 376 | A | 31.2 | Very low | 28.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | 53.7 | 159.7 | 122.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 377 | G | 26.9 | Very low | 28.8 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 116.4 | 51.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 378 | Q | 29.2 | Very low | 28.6 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | 27 | 127.5 | 129.3 | -139.3 | -175 | 17.4 | 0 | 0 | 120.3 | |||||
| 379 | V | 26.6 | Very low | 28.4 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 61 | 150.5 | 153 | -69.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 380 | S | 29.1 | Very low | 28.4 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | cis | -165.1 | 178.6 | -4.4 | -116.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 381 | S | 30.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 71.8 | 148.5 | 151 | 38.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 382 | A | 30.6 | Very low | 28.6 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -170.5 | -173.8 | -13.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 383 | L | 29.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | 75.7 | 144.4 | 158.8 | -57.8 | 173.7 | 0 | 0 | 0 | 117.3 | ||||
| 384 | T | 25.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | cis | -169.7 | 158.6 | -40.3 | 16.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 385 | C | 24.7 | Very low | 28.4 | Very low | 92 Ų | 92 | 118 Ų | 118 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | 63.7 | 149.9 | 142.7 | 70.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 386 | H | 25.5 | Very low | 28.3 | Very low | 165 Ų | 165 | 113.4 Ų | 113.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 81.5 | 82.6 | 155.9 | -54.1 | -51.5 | 0 | 0 | 0 | 122.4 | ||||
| 387 | S | 28.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | 55 | 150.1 | 103.8 | -153.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 388 | F | 24.6 | Very low | 28.5 | Very low | 201 Ų | 201 | 121.6 Ų | 121.6 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 94 | 148.2 | 163 | -53.9 | -69.5 | 0 | 0 | 0 | 119.8 | ||||
| 389 | G | 25.4 | Very low | 28.7 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 96.7 | 114 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 390 | D | 26 | Very low | 28.8 | Very low | 178 Ų | 178 | 121.4 Ų | 121.4 | 95% | 0.952 | 78% | 0.78 | S | S | * | * | cis | 70.8 | 137.5 | 36 | -71.8 | -42.2 | 0 | 0 | 0 | 117.1 | ||||
| 391 | G | 27.5 | Very low | 28.5 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 112.7 | 102.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 392 | S | 37.8 | Very low | 29 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -91.6 | 160.3 | 177.9 | -44 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 393 | G | 23.3 | Very low | 29 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -165.5 | 144.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 394 | A | 32.1 | Very low | 28.8 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | cis | 78.4 | 130.9 | 34.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 395 | A | 31.4 | Very low | 29 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | cis | -166.5 | 174.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 396 | G | 28.7 | Very low | 29.3 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 138.2 | 133.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 397 | L | 33.1 | Very low | 29.5 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | 77.3 | 134.4 | 50.2 | -64.9 | 178.4 | 0 | 0 | 0 | 113 | |||||
| 398 | E | 29.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -148.1 | 172.3 | 20.8 | -66.9 | -169.9 | 126.7 | 0 | 0 | 116.1 | ||||
| 399 | L | 34.5 | Very low | 30 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | 16.2 | 147.6 | 145.9 | -55.5 | 169.5 | 0 | 0 | 0 | 121.6 | ||||
| 400 | N | 27.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | -171 | -173.2 | 56 | -145.9 | -31.9 | 0 | 0 | 0 | 115.3 | |||||
| 401 | C | 23.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -77.3 | -179.4 | -169.5 | -64.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 402 | P | 42 | Very low | 30.6 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -153.6 | 158 | 22.6 | 44.3 | -21.6 | 0 | 0 | 0 | 123.9 | ||||
| 403 | S | 29.2 | Very low | 30 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 72.4 | 149.9 | 137.9 | -145.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 404 | M | 26.7 | Very low | 30.1 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 129.7 | 168.8 | -43.2 | -58.2 | -79.3 | 0 | 0 | 118.2 | ||||
| 405 | G | 27.8 | Very low | 29.8 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | 171.6 | 132.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 406 | E | 32.1 | Very low | 30.4 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | 61.2 | 149.4 | 167.7 | -72.9 | -174.8 | 104.8 | 0 | 0 | 119.1 | ||||
| 407 | N | 29.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | cis | -146.5 | 145.7 | 6.3 | -130.3 | -36.1 | 0 | 0 | 0 | 115.8 | ||||
| 408 | T | 30.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | trans | 20.2 | 139.7 | 150.9 | 38.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 409 | M | 32.1 | Very low | 30 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | cis | -134 | -98.5 | 21 | -72.9 | -163.3 | 169.1 | 0 | 0 | 118.3 | ||||
| 410 | K | 32.5 | Very low | 29.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | -157.2 | -179.7 | -143.5 | -78.5 | -177.1 | 115.5 | -88 | 0 | 110.1 | E412 | K410-E412 WeakPolarHBondContact CE-OE1 3.34Å; K410-E412 IonicContact NZ-OE1 3.14Å; K410-E412 PolarHBondContact NZ-OE1 3.12Å; K410-E412 IonicContact NZ-OE2 2.62Å; K410-E412 PolarHBondContact NZ-OE2 3Å | ||
| 411 | T | 29.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | cis | -155.1 | 140.4 | 12.4 | -129.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 412 | E | 29.1 | Very low | 29.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | 84.9 | 139 | 63.7 | -75.3 | -170.6 | -160.1 | 0 | 0 | 116.3 | K410 | K410-E412 WeakPolarHBondContact CE-OE1 3.34Å; K410-E412 IonicContact NZ-OE1 3.14Å; K410-E412 PolarHBondContact NZ-OE1 3.12Å; K410-E412 IonicContact NZ-OE2 2.62Å; K410-E412 PolarHBondContact NZ-OE2 3Å | |||
| 413 | T | 25.9 | Very low | 29 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -162.6 | 171.7 | -26.2 | -28.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 414 | T | 25.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | 79.4 | 123.7 | 144.7 | 33.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 415 | S | 25.7 | Very low | 28.6 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -81.3 | 163.9 | 151.8 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 416 | P | 43 | Very low | 28.6 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | -152.1 | -170.2 | 110.1 | 40.3 | -23.8 | 0 | 0 | 0 | 114.9 | |||||
| 417 | L | 26.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | -169.4 | 143.6 | -60.6 | -162 | 67.8 | 0 | 0 | 0 | 111.8 | |||||
| 418 | V | 30 | Very low | 28.2 | Very low | 121 Ų | 121 | 137 Ų | 137 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 79.6 | 146.7 | 150.9 | 135.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 419 | E | 26.8 | Very low | 27.9 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 87.9 | 161.7 | 158.3 | -99.6 | 169.7 | 166.9 | 0 | 0 | 124.7 | ||||
| 420 | L | 26.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -128.8 | 145.3 | -153.9 | -63.1 | 155.4 | 0 | 0 | 0 | 110.8 | ||||
| 421 | Q | 25.8 | Very low | 27.5 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | -176.8 | 177.9 | 112.3 | -109.8 | -175.7 | -28.3 | 0 | 0 | 114.1 | |||||
| 422 | E | 27.4 | Very low | 27.3 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | trans | -83.4 | 158.5 | -157.9 | -67.1 | 179.1 | 108.9 | 0 | 0 | 117.3 | ||||
| 423 | I | 25.4 | Very low | 27.4 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 56.8 | 119 | 145.1 | -62.8 | 156.5 | 0 | 0 | 0 | 118.4 | ||||
| 424 | S | 23 | Very low | 27.6 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | -179.9 | 135.4 | 108.1 | -164.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 425 | T | 23.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 50.7 | 120.3 | 145.1 | 51.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 426 | V | 27.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | 83.9 | 124.3 | 125.8 | 178.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 427 | E | 27.4 | Very low | 27.3 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -19.8 | 152.8 | 157 | -45.5 | 174.4 | 125 | 0 | 0 | 119.2 | ||||
| 428 | V | 26.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | -177 | 124.5 | 115.6 | 143.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 429 | T | 25.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 43.5 | 123.8 | 154.1 | 64.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 430 | N | 27 | Very low | 27.6 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | 35.5 | 131.6 | 109.1 | -85.7 | -24.9 | 0 | 0 | 0 | 118.4 | |||||
| 431 | T | 27.4 | Very low | 27.8 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | 170.3 | 162.2 | 51.8 | 17.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 432 | F | 27 | Very low | 28 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 62.4 | 151.3 | 151 | -66.8 | -47 | 0 | 0 | 0 | 119.8 | ||||
| 433 | K | 30.2 | Very low | 28 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | cis | -142.8 | 146 | -3.8 | -86.9 | 125.1 | -174.4 | 177.3 | 0 | 106.6 | ||||
| 434 | K | 29.8 | Very low | 28.5 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | 71.1 | 109.8 | 64.8 | -164.9 | -164.3 | 173.8 | -173.9 | 0 | 116.7 | |||||
| 435 | T | 29.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 178.6 | 114.9 | 135.3 | 34.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 436 | D | 27.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | 76.8 | 134 | 84.9 | -58.9 | -15.2 | 0 | 0 | 0 | 112.2 | |||||
| 437 | D | 32 | Very low | 30.1 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | cis | -162.3 | -178 | -15.9 | -150.8 | 14.5 | 0 | 0 | 0 | 106.3 | ||||
| 438 | F | 31.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | cis | -155.9 | -116.8 | 7.9 | -179.4 | 53.4 | 0 | 0 | 0 | 108.6 | ||||
| 439 | V | 29.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 80.3 | 167.6 | 168.5 | -168 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 440 | S | 29.8 | Very low | 34.2 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | -153.5 | 146.9 | -164.9 | -51.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 441 | S | 31 | Very low | 36.3 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | trans | -154.7 | 168.4 | 130.9 | 74 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 442 | N | 30.8 | Very low | 38.7 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 88% | 0.882 | 69% | 0.687 | S | S | * | * | trans | -107 | 137.7 | -153.8 | -59.6 | -52.9 | 0 | 0 | 0 | 116.3 | ||||
| 443 | A | 27.2 | Very low | 41.5 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -154.4 | 147.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 444 | P | 36.4 | Very low | 44.3 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 83% | 0.831 | 64% | 0.637 | S | S | * | * | trans | -86.4 | 135.1 | -167.5 | 32.5 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 445 | A | 31.2 | Very low | 46.7 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 79% | 0.793 | 64% | 0.644 | S | S | * | * | trans | -86.2 | 135.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D447 | A445-D447 PolarHBondContact O-N 2.81Š| ||
| 446 | V | 37.7 | Very low | 49.3 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 75% | 0.745 | 62% | 0.622 | S | S | * | * | trans | -93.6 | 76.1 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | L448 | V446-L448 HydrophobicContact CG1-CD1 3.7Å; V446-L448 PolarHBondContact O-N 2.56Å | ||
| 447 | D | 37.2 | Very low | 51.5 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | -77 | 96.4 | 173.4 | -179.4 | 19.5 | 0 | 0 | 0 | 110.9 | A445 D449 | A445-D447 PolarHBondContact O-N 2.81Å; D447-D449 VanDerWaalsContact C-N 3.34Å; D447-D449 PolarHBondContact O-N 3.48Å | ||
| 448 | L | 48.8 | Very low | 53.4 | Low | 92 Ų | 92 | 113.1 Ų | 113.1 | 48% | 0.482 | 63% | 0.63 | S | S | . | * | trans | -94.2 | 53.2 | -173.4 | -131.4 | 81.8 | 0 | 0 | 0 | 114.4 | V446 H450 R464 | V446-L448 HydrophobicContact CG1-CD1 3.7Å; V446-L448 PolarHBondContact O-N 2.56Å; L448-H450 PolarHBondContact O-CD2 3.35Å; L448-H450 PolarHBondContact O-NE2 2.83Å; L448-R464 PolarHBondContact O-NE 3.4Å | ||
| 449 | D | 56.3 | Low | 56 | Low | 74 Ų | 74 | 106.2 Ų | 106.2 | 40% | 0.396 | 60% | 0.602 | S | S | . | * | trans | 52.8 | 59.4 | 154.2 | -157.1 | 14.4 | 0 | 0 | 0 | 117.5 | D447 K451 | D447-D449 VanDerWaalsContact C-N 3.34Å; D447-D449 PolarHBondContact O-N 3.48Å; D449-K451 VanDerWaalsContact C-N 3.26Å; D449-K451 PolarHBondContact O-N 3.47Å; D449-K451 VanDerWaalsContact O-N 3.1Å; D449-K451 WeakPolarHBondContact OD1-CD 3.49Å; D449-K451 WeakPolarHBondContact OD1-CE 3.29Å; D449-K451 WeakPolarHBondContact OD1-CG 3.24Å; D449-K451 IonicContact OD1-NZ 2.66Å; D449-K451 PolarHBondContact OD1-NZ 3.38Å; D449-K451 IonicContact OD2-NZ 3.5Å; D449-K451 PolarHBondContact OD2-NZ 2.97Å | ||
| 450 | H | 62.3 | Low | 58.7 | Low | 89 Ų | 89 | 106.4 Ų | 106.4 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | trans | -85.3 | 45.7 | -179.6 | -74 | -94.9 | 0 | 0 | 0 | 114.2 | L448 F452 F462 R464 | L448-H450 PolarHBondContact O-CD2 3.35Å; L448-H450 PolarHBondContact O-NE2 2.83Å; H450-F452 VanDerWaalsContact C-N 3.29Å; H450-F452 PolarHBondContact O-N 3.03Å; H450-F462 HydrophobicContact CB-CB 4.39Å; H450-F462 HydrophobicContact CB-CD1 4.18Å; H450-R464 PolarHBondContact NE2-NE 3.28Å; H450-R464 PolarHBondContact NE2-NH2 3.07Å | ||
| 451 | K | 70.2 | Confident | 61.3 | Low | 145 Ų | 145 | 107 Ų | 107 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | trans | -57.8 | -18.3 | -171.2 | -88 | 168.1 | -171.7 | 127.7 | 0 | 118 | D449 | D449-K451 VanDerWaalsContact C-N 3.26Å; D449-K451 PolarHBondContact O-N 3.47Å; D449-K451 VanDerWaalsContact O-N 3.1Å; D449-K451 WeakPolarHBondContact OD1-CD 3.49Å; D449-K451 WeakPolarHBondContact OD1-CE 3.29Å; D449-K451 WeakPolarHBondContact OD1-CG 3.24Å; D449-K451 IonicContact OD1-NZ 2.66Å; D449-K451 PolarHBondContact OD1-NZ 3.38Å; D449-K451 IonicContact OD2-NZ 3.5Å; D449-K451 PolarHBondContact OD2-NZ 2.97Å | ||
| 452 | F | 78.2 | Confident | 64 | Low | 71 Ų | 71 | 105.9 Ų | 105.9 | 31% | 0.311 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 89.7 | -171.8 | -53 | -81.9 | 0 | 0 | 0 | 112.7 | H450 F463 A466 L469 | H450-F452 VanDerWaalsContact C-N 3.29Å; H450-F452 PolarHBondContact O-N 3.03Å; F452-F463 HydrophobicContact CB-CB 4.37Å; F452-F463 WeakPolarHBondContact CB-O 3.42Å; F452-F463 PolarHBondContact N-O 3.17Å; F452-F463 VanDerWaalsContact N-O 3.13Å; F452-F463 WeakPolarHBondContact O-CD2 3.23Å; F452-F463 PolarHBondContact O-N 3.01Å; F452-A466 HydrophobicContact CD1-CB 3.86Å; F452-A466 HydrophobicContact CE1-CB 3.67Å; F452-A466 HydrophobicContact CE2-CB 4.41Å; F452-A466 HydrophobicContact CG-CB 4.32Å; F452-A466 HydrophobicContact CZ-CB 3.97Å; F452-L469 HydrophobicContact CB-CB 4.15Å; F452-L469 HydrophobicContact CB-CD2 3.89Å |
| 453 | R | 85.8 | Confident | 66.7 | Low | 124 Ų | 124 | 99.6 Ų | 99.6 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 147.1 | 172.2 | -161.8 | -154.6 | -80 | -103.5 | 9.2 | 111.6 | F462 L469 | R453-F462 HydrophobicContact CB-CD1 3.92Å; R453-F462 HydrophobicContact CB-CE1 4.27Å; R453-F462 HydrophobicContact CB-CG 4.47Å; R453-F462 HydrophobicContact CG-CD1 3.89Å; R453-F462 HydrophobicContact CG-CD2 4.47Å; R453-F462 HydrophobicContact CG-CE1 4.03Å; R453-F462 HydrophobicContact CG-CG 4.15Å; R453-F462 HydrophobicContact CG-CZ 4.41Å; R453-F462 VanDerWaalsContact NH2-CZ 3.33Å; R453-L469 WeakPolarHBondContact O-CD2 3.43Å |
| 454 | C | 88.7 | Confident | 69.3 | Low | 4 Ų | 4 | 101.5 Ų | 101.5 | 3% | 0.027 | 52% | 0.52 | C | S | . | . | trans | -60.4 | 147 | 161 | -158.7 | 0 | 0 | 0 | 0 | 110.9 | C459 K461 L469 H472 | C454-C459 HydrophobicContact CB-CB 4.2Å; C454-K461 PolarHBondContact N-O 2.89Å; C454-L469 HydrophobicContact CB-CD1 4.12Å; C454-H472 PolarHBondContact SG-NE2 2.92Å | ||
| 455 | K | 79.4 | Confident | 71.6 | Confident | 199 Ų | 199 | 102.3 Ų | 102.3 | 87% | 0.865 | 51% | 0.511 | S | S | * | . | trans | -112 | 1.7 | -179.9 | -66.7 | -171 | 177.1 | -174.8 | 0 | 113.5 | ||||
| 456 | V | 84 | Confident | 74.2 | Confident | 47 Ų | 47 | 100.2 Ų | 100.2 | 29% | 0.285 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -74.9 | 136.6 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | C459 H477 M479 | V456-C459 HydrophobicContact CB-CB 4.22Å; V456-C459 WeakPolarHBondContact O-CB 3.43Å; V456-C459 PolarHBondContact O-N 2.79Å; V456-C459 VanDerWaalsContact O-N 3.09Å; V456-H477 HydrophobicContact CG2-CB 4.01Å; V456-M479 HydrophobicContact CG2-SD 3.8Å |
| 457 | V | 74.8 | Confident | 76.5 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 74% | 0.739 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 142.8 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | C459 | V457-C459 PolarHBondContact O-N 3.23Š|
| 458 | D | 71.5 | Confident | 78.9 | Confident | 154 Ų | 154 | 101.1 Ų | 101.1 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -2.2 | -174.2 | -49.2 | -38.7 | 0 | 0 | 0 | 116.7 | L460 | D458-L460 PolarHBondContact O-N 2.92Š|
| 459 | C | 85.4 | Confident | 80.8 | Confident | 18 Ų | 18 | 98 Ų | 98 | 12% | 0.122 | 47% | 0.468 | C | S | . | . | trans | -93 | 91.6 | 176.1 | -166 | 0 | 0 | 0 | 0 | 113.2 | C454 V456 V457 K461 H472 H477 | C454-C459 HydrophobicContact CB-CB 4.2Å; V456-C459 HydrophobicContact CB-CB 4.22Å; V456-C459 WeakPolarHBondContact O-CB 3.43Å; V456-C459 PolarHBondContact O-N 2.79Å; V456-C459 VanDerWaalsContact O-N 3.09Å; V457-C459 PolarHBondContact O-N 3.23Å; C459-K461 PolarHBondContact O-N 2.81Å; C459-K461 VanDerWaalsContact O-N 3.1Å; C459-H472 PolarHBondContact SG-NE2 3.44Å; C459-H477 PolarHBondContact SG-NE2 2.87Å | ||
| 460 | L | 85.4 | Confident | 82.1 | Confident | 133 Ų | 133 | 100 Ų | 100 | 70% | 0.696 | 48% | 0.475 | S | S | * | . | trans | -75.3 | 11 | -178.5 | -58.7 | 179.8 | 0 | 0 | 0 | 115.5 | D458 F462 | D458-L460 PolarHBondContact O-N 2.92Å; L460-F462 WeakPolarHBondContact O-CD2 3.32Å; L460-F462 WeakPolarHBondContact O-CE2 3.47Å | ||
| 461 | K | 84.7 | Confident | 83.4 | Confident | 108 Ų | 108 | 102.3 Ų | 102.3 | 47% | 0.47 | 48% | 0.481 | S | S | . | . | trans | -76.4 | 135.2 | -172.2 | -64.8 | -172.8 | -179.4 | -178.7 | 0 | 113.2 | C454 C459 F463 | C454-K461 PolarHBondContact N-O 2.89Å; C459-K461 PolarHBondContact O-N 2.81Å; C459-K461 VanDerWaalsContact O-N 3.1Å; K461-F463 HydrophobicContact CB-CE2 3.8Å; K461-F463 HydrophobicContact CB-CZ 3.75Å; K461-F463 HydrophobicContact CD-CZ 4.43Å | ||
| 462 | F | 88.8 | Confident | 84.3 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.2 | 174.9 | -60.3 | -108.3 | 0 | 0 | 0 | 111.3 | H450 R453 L460 | H450-F462 HydrophobicContact CB-CB 4.39Å; H450-F462 HydrophobicContact CB-CD1 4.18Å; R453-F462 HydrophobicContact CB-CD1 3.92Å; R453-F462 HydrophobicContact CB-CE1 4.27Å; R453-F462 HydrophobicContact CB-CG 4.47Å; R453-F462 HydrophobicContact CG-CD1 3.89Å; R453-F462 HydrophobicContact CG-CD2 4.47Å; R453-F462 HydrophobicContact CG-CE1 4.03Å; R453-F462 HydrophobicContact CG-CG 4.15Å; R453-F462 HydrophobicContact CG-CZ 4.41Å; R453-F462 VanDerWaalsContact NH2-CZ 3.33Å; L460-F462 WeakPolarHBondContact O-CD2 3.32Å; L460-F462 WeakPolarHBondContact O-CE2 3.47Å |
| 463 | F | 86.8 | Confident | 84.8 | Confident | 34 Ų | 34 | 94.9 Ų | 94.9 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.9 | -179.3 | -54.3 | -84.7 | 0 | 0 | 0 | 110.3 | F452 K461 K465 L468 L469 H472 | F452-F463 HydrophobicContact CB-CB 4.37Å; F452-F463 WeakPolarHBondContact CB-O 3.42Å; F452-F463 PolarHBondContact N-O 3.17Å; F452-F463 VanDerWaalsContact N-O 3.13Å; F452-F463 WeakPolarHBondContact O-CD2 3.23Å; F452-F463 PolarHBondContact O-N 3.01Å; K461-F463 HydrophobicContact CB-CE2 3.8Å; K461-F463 HydrophobicContact CB-CZ 3.75Å; K461-F463 HydrophobicContact CD-CZ 4.43Å; F463-K465 VanDerWaalsContact C-N 3.3Å; F463-L468 HydrophobicContact CB-CB 4.15Å; F463-L468 HydrophobicContact CD1-CB 3.73Å; F463-L468 HydrophobicContact CD1-CD2 4.5Å; F463-L468 HydrophobicContact CG-CB 4.17Å; F463-L469 HydrophobicContact CB-CB 4.34Å; F463-L469 HydrophobicContact CD2-CB 3.83Å; F463-L469 HydrophobicContact CD2-CD1 3.96Å; F463-L469 HydrophobicContact CD2-CG 4.49Å; F463-L469 HydrophobicContact CE2-CD1 4.09Å; F463-L469 HydrophobicContact CG-CB 4.25Å; F463-H472 HydrophobicContact CE1-CB 4.09Å; F463-H472 HydrophobicContact CE2-CB 3.99Å; F463-H472 AromaticContact CE2-CD2 3.32Å; F463-H472 WeakPolarHBondContact CE2-CD2 3.48Å; F463-H472 AromaticContact CE2-CG 3.82Å; F463-H472 HydrophobicContact CZ-CB 3.53Å; F463-H472 AromaticContact CZ-CD2 3.35Å; F463-H472 WeakPolarHBondContact CZ-CD2 3.35Å; F463-H472 AromaticContact CZ-CG 3.4Å; F463-H472 VanDerWaalsContact CZ-CG 3.4Å |
| 464 | R | 82.6 | Confident | 84.7 | Confident | 135 Ų | 135 | 92.6 Ų | 92.6 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -81.3 | -5.3 | 176 | -64.7 | -174.6 | 176 | 142.1 | 6 | 113.7 | L448 H450 | L448-R464 PolarHBondContact O-NE 3.4Å; H450-R464 PolarHBondContact NE2-NE 3.28Å; H450-R464 PolarHBondContact NE2-NH2 3.07Å |
| 465 | K | 83.8 | Confident | 84.4 | Confident | 145 Ų | 145 | 99.4 Ų | 99.4 | 63% | 0.63 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -143.8 | 134.2 | 178.3 | -59.9 | -176.5 | 179.7 | -178.4 | 0 | 111.2 | F463 K467 L468 L469 | F463-K465 VanDerWaalsContact C-N 3.3Å; K465-K467 VanDerWaalsContact C-N 3.25Å; K465-K467 PolarHBondContact O-N 3.33Å; K465-K467 VanDerWaalsContact O-N 3.15Å; K465-L468 HydrophobicContact CB-CD1 4.06Å; K465-L468 PolarHBondContact O-N 3.47Å; K465-L469 PolarHBondContact O-N 3.35Å |
| 466 | A | 85.1 | Confident | 84.3 | Confident | 51 Ų | 51 | 96.1 Ų | 96.1 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.5 | -35.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F452 L468 L469 H470 | F452-A466 HydrophobicContact CD1-CB 3.86Å; F452-A466 HydrophobicContact CE1-CB 3.67Å; F452-A466 HydrophobicContact CE2-CB 4.41Å; F452-A466 HydrophobicContact CG-CB 4.32Å; F452-A466 HydrophobicContact CZ-CB 3.97Å; A466-L468 VanDerWaalsContact C-N 3.29Å; A466-L468 PolarHBondContact O-N 3.31Å; A466-L469 PolarHBondContact O-N 3.06Å; A466-H470 PolarHBondContact O-N 3.04Å |
| 467 | K | 86 | Confident | 84.3 | Confident | 187 Ų | 187 | 96.8 Ų | 96.8 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.1 | -34.2 | 178.1 | -69.8 | -173.5 | 177.8 | -178.8 | 0 | 112.8 | K465 Y471 | K465-K467 VanDerWaalsContact C-N 3.25Å; K465-K467 PolarHBondContact O-N 3.33Å; K465-K467 VanDerWaalsContact O-N 3.15Å; K467-Y471 WeakPolarHBondContact O-CB 3.27Å; K467-Y471 PolarHBondContact O-N 2.88Å |
| 468 | L | 87.8 | Confident | 84.3 | Confident | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.4 | -37.8 | 176.1 | -80.2 | 84.2 | 0 | 0 | 0 | 111.6 | F463 K465 A466 Y471 H472 | F463-L468 HydrophobicContact CB-CB 4.15Å; F463-L468 HydrophobicContact CD1-CB 3.73Å; F463-L468 HydrophobicContact CD1-CD2 4.5Å; F463-L468 HydrophobicContact CG-CB 4.17Å; K465-L468 HydrophobicContact CB-CD1 4.06Å; K465-L468 PolarHBondContact O-N 3.47Å; A466-L468 VanDerWaalsContact C-N 3.29Å; A466-L468 PolarHBondContact O-N 3.31Å; L468-Y471 PolarHBondContact O-N 2.88Å; L468-H472 VanDerWaalsContact O-CB 3.3Å; L468-H472 WeakPolarHBondContact O-CB 3.25Å; L468-H472 PolarHBondContact O-N 3.32Å |
| 469 | L | 88.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 91.7 Ų | 91.7 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 171.5 | 171.8 | 59.1 | 0 | 0 | 0 | 111.1 | F452 R453 C454 F463 K465 A466 Y471 H472 M473 | F452-L469 HydrophobicContact CB-CB 4.15Å; F452-L469 HydrophobicContact CB-CD2 3.89Å; R453-L469 WeakPolarHBondContact O-CD2 3.43Å; C454-L469 HydrophobicContact CB-CD1 4.12Å; F463-L469 HydrophobicContact CB-CB 4.34Å; F463-L469 HydrophobicContact CD2-CB 3.83Å; F463-L469 HydrophobicContact CD2-CD1 3.96Å; F463-L469 HydrophobicContact CD2-CG 4.49Å; F463-L469 HydrophobicContact CE2-CD1 4.09Å; F463-L469 HydrophobicContact CG-CB 4.25Å; K465-L469 PolarHBondContact O-N 3.35Å; A466-L469 PolarHBondContact O-N 3.06Å; L469-Y471 PolarHBondContact O-N 3.17Å; L469-H472 PolarHBondContact O-N 3.26Å; L469-M473 HydrophobicContact CD1-CG 3.89Å; L469-M473 HydrophobicContact CD1-SD 3.82Å; L469-M473 HydrophobicContact CG-CG 4.45Å; L469-M473 HydrophobicContact CG-SD 3.93Å; L469-M473 WeakPolarHBondContact O-CG 3.32Å; L469-M473 PolarHBondContact O-N 2.84Å |
| 470 | H | 83.7 | Confident | 82.1 | Confident | 117 Ų | 117 | 97.6 Ų | 97.6 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 178.2 | -170.4 | -80.4 | 0 | 0 | 0 | 112.4 | A466 K474 | A466-H470 PolarHBondContact O-N 3.04Å; H470-K474 WeakPolarHBondContact O-CB 3.31Å; H470-K474 PolarHBondContact O-N 2.79Å |
| 471 | Y | 90 | Very high | 79.9 | Confident | 137 Ų | 137 | 100.5 Ų | 100.5 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 171.7 | -173.4 | -85.8 | 0 | 0 | 0 | 111.1 | K467 L468 L469 K474 Y475 | K467-Y471 WeakPolarHBondContact O-CB 3.27Å; K467-Y471 PolarHBondContact O-N 2.88Å; L468-Y471 PolarHBondContact O-N 2.88Å; L469-Y471 PolarHBondContact O-N 3.17Å; Y471-K474 PolarHBondContact O-N 2.95Å; Y471-Y475 AromaticContact CD1-CD2 3.94Å; Y471-Y475 HydrophobicContact CD1-CD2 3.94Å; Y471-Y475 AromaticContact CD2-CD2 3.64Å; Y471-Y475 HydrophobicContact CD2-CD2 3.64Å; Y471-Y475 AromaticContact CD2-CE2 3.59Å; Y471-Y475 HydrophobicContact CD2-CE2 3.59Å; Y471-Y475 AromaticContact CE1-CD2 3.8Å; Y471-Y475 HydrophobicContact CE1-CD2 3.8Å; Y471-Y475 HydrophobicContact CE1-CG 4.33Å; Y471-Y475 AromaticContact CE2-CD2 3.5Å; Y471-Y475 HydrophobicContact CE2-CD2 3.5Å; Y471-Y475 VanDerWaalsContact CE2-CD2 3.5Å; Y471-Y475 AromaticContact CE2-CE2 3.37Å; Y471-Y475 HydrophobicContact CE2-CE2 3.37Å; Y471-Y475 AromaticContact CG-CD2 3.86Å; Y471-Y475 HydrophobicContact CG-CD2 3.86Å; Y471-Y475 HydrophobicContact CG-CE2 4.26Å; Y471-Y475 AromaticContact CZ-CD2 3.57Å; Y471-Y475 AromaticContact CZ-CE2 3.87Å; Y471-Y475 WeakPolarHBondContact O-CD2 3.5Å; Y471-Y475 PolarHBondContact O-N 3.03Å |
| 472 | H | 90.3 | Very high | 77.4 | Confident | 6 Ų | 6 | 100.6 Ų | 100.6 | 3% | 0.028 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61 | -47 | 178.8 | 170.2 | 49.8 | 0 | 0 | 0 | 112.5 | C454 C459 F463 L468 L469 K474 Y475 F476 H477 | C454-H472 PolarHBondContact SG-NE2 2.92Å; C459-H472 PolarHBondContact SG-NE2 3.44Å; F463-H472 HydrophobicContact CE1-CB 4.09Å; F463-H472 HydrophobicContact CE2-CB 3.99Å; F463-H472 AromaticContact CE2-CD2 3.32Å; F463-H472 WeakPolarHBondContact CE2-CD2 3.48Å; F463-H472 AromaticContact CE2-CG 3.82Å; F463-H472 HydrophobicContact CZ-CB 3.53Å; F463-H472 AromaticContact CZ-CD2 3.35Å; F463-H472 WeakPolarHBondContact CZ-CD2 3.35Å; F463-H472 AromaticContact CZ-CG 3.4Å; F463-H472 VanDerWaalsContact CZ-CG 3.4Å; L468-H472 VanDerWaalsContact O-CB 3.3Å; L468-H472 WeakPolarHBondContact O-CB 3.25Å; L468-H472 PolarHBondContact O-N 3.32Å; L469-H472 PolarHBondContact O-N 3.26Å; H472-K474 PolarHBondContact O-N 2.83Å; H472-Y475 PolarHBondContact O-N 3.48Å; H472-F476 AromaticContact ND1-CD2 3.5Å; H472-F476 WeakPolarHBondContact ND1-CD2 3.42Å; H472-F476 AromaticContact ND1-CG 3.58Å; H472-F476 WeakPolarHBondContact O-CB 3.29Å; H472-F476 PolarHBondContact O-N 2.92Å; H472-H477 AromaticContact CE1-CD2 3.79Å; H472-H477 AromaticContact CE1-NE2 3.34Å; H472-H477 PolarHBondContact CE1-NE2 3.26Å; H472-H477 VanDerWaalsContact CE1-NE2 3.34Å; H472-H477 AromaticContact NE2-CD2 3.74Å; H472-H477 AromaticContact NE2-NE2 3.27Å; H472-H477 PolarHBondContact NE2-NE2 3.16Å |
| 473 | M | 87.8 | Confident | 74.6 | Confident | 55 Ų | 55 | 104 Ų | 104 | 27% | 0.271 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176 | -71.3 | 173.7 | 64.2 | 0 | 0 | 112.3 | L469 H477 G478 M479 | L469-M473 HydrophobicContact CD1-CG 3.89Å; L469-M473 HydrophobicContact CD1-SD 3.82Å; L469-M473 HydrophobicContact CG-CG 4.45Å; L469-M473 HydrophobicContact CG-SD 3.93Å; L469-M473 WeakPolarHBondContact O-CG 3.32Å; L469-M473 PolarHBondContact O-N 2.84Å; M473-H477 CarbonylContact O-C 3.59Å; M473-H477 PolarHBondContact O-N 3.43Å; M473-G478 PolarHBondContact O-N 3.12Å; M473-M479 HydrophobicContact CE-SD 3.98Å; M473-M479 PolarHBondContact O-N 3.09Å |
| 474 | K | 84.6 | Confident | 71.9 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 33% | 0.326 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 178.3 | -178.1 | 165.4 | -173.2 | 162.3 | 0 | 112.5 | H470 Y471 H472 G478 E480 | H470-K474 WeakPolarHBondContact O-CB 3.31Å; H470-K474 PolarHBondContact O-N 2.79Å; Y471-K474 PolarHBondContact O-N 2.95Å; H472-K474 PolarHBondContact O-N 2.83Å; K474-G478 WeakPolarHBondContact O-CA 3.33Å; K474-G478 PolarHBondContact O-N 2.89Å; K474-E480 WeakPolarHBondContact CE-OE1 3.33Å; K474-E480 IonicContact NZ-OE1 2.55Å; K474-E480 PolarHBondContact NZ-OE1 3.22Å |
| 475 | Y | 82.3 | Confident | 69.6 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -95.6 | -21.3 | -168.4 | -69.5 | -75.7 | 0 | 0 | 0 | 115.4 | Y471 H472 | Y471-Y475 AromaticContact CD1-CD2 3.94Å; Y471-Y475 HydrophobicContact CD1-CD2 3.94Å; Y471-Y475 AromaticContact CD2-CD2 3.64Å; Y471-Y475 HydrophobicContact CD2-CD2 3.64Å; Y471-Y475 AromaticContact CD2-CE2 3.59Å; Y471-Y475 HydrophobicContact CD2-CE2 3.59Å; Y471-Y475 AromaticContact CE1-CD2 3.8Å; Y471-Y475 HydrophobicContact CE1-CD2 3.8Å; Y471-Y475 HydrophobicContact CE1-CG 4.33Å; Y471-Y475 AromaticContact CE2-CD2 3.5Å; Y471-Y475 HydrophobicContact CE2-CD2 3.5Å; Y471-Y475 VanDerWaalsContact CE2-CD2 3.5Å; Y471-Y475 AromaticContact CE2-CE2 3.37Å; Y471-Y475 HydrophobicContact CE2-CE2 3.37Å; Y471-Y475 AromaticContact CG-CD2 3.86Å; Y471-Y475 HydrophobicContact CG-CD2 3.86Å; Y471-Y475 HydrophobicContact CG-CE2 4.26Å; Y471-Y475 AromaticContact CZ-CD2 3.57Å; Y471-Y475 AromaticContact CZ-CE2 3.87Å; Y471-Y475 WeakPolarHBondContact O-CD2 3.5Å; Y471-Y475 PolarHBondContact O-N 3.03Å; H472-Y475 PolarHBondContact O-N 3.48Å |
| 476 | F | 77.5 | Confident | 67 | Low | 131 Ų | 131 | 111.7 Ų | 111.7 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -109.8 | -13.7 | -180 | -62.5 | -99.7 | 0 | 0 | 0 | 113.6 | H472 | H472-F476 AromaticContact ND1-CD2 3.5Å; H472-F476 WeakPolarHBondContact ND1-CD2 3.42Å; H472-F476 AromaticContact ND1-CG 3.58Å; H472-F476 WeakPolarHBondContact O-CB 3.29Å; H472-F476 PolarHBondContact O-N 2.92Å |
| 477 | H | 84.1 | Confident | 64.2 | Low | 61 Ų | 61 | 118.7 Ų | 118.7 | 28% | 0.282 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -126.2 | 3.3 | 176.7 | -59.4 | -58.5 | 0 | 0 | 0 | 113.4 | V456 C459 H472 M473 M479 | V456-H477 HydrophobicContact CG2-CB 4.01Å; C459-H477 PolarHBondContact SG-NE2 2.87Å; H472-H477 AromaticContact CE1-CD2 3.79Å; H472-H477 AromaticContact CE1-NE2 3.34Å; H472-H477 PolarHBondContact CE1-NE2 3.26Å; H472-H477 VanDerWaalsContact CE1-NE2 3.34Å; H472-H477 AromaticContact NE2-CD2 3.74Å; H472-H477 AromaticContact NE2-NE2 3.27Å; H472-H477 PolarHBondContact NE2-NE2 3.16Å; M473-H477 CarbonylContact O-C 3.59Å; M473-H477 PolarHBondContact O-N 3.43Å; H477-M479 HydrophobicContact CB-CG 4.05Å; H477-M479 HydrophobicContact CB-SD 4.41Å; H477-M479 WeakPolarHBondContact O-CG 3.43Å; H477-M479 PolarHBondContact O-N 3.09Å; H477-M479 VanDerWaalsContact O-N 3.09Å |
| 478 | G | 74.4 | Confident | 61.4 | Low | 64 Ų | 64 | 114.2 Ų | 114.2 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | trans | 64.2 | 12.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M473 K474 E480 | M473-G478 PolarHBondContact O-N 3.12Å; K474-G478 WeakPolarHBondContact O-CA 3.33Å; K474-G478 PolarHBondContact O-N 2.89Å; G478-E480 PolarHBondContact O-N 2.83Å | ||
| 479 | M | 58.9 | Low | 59.5 | Low | 105 Ų | 105 | 115 Ų | 115 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | trans | -80.3 | 84.5 | -171.1 | -61 | -173.2 | 79.3 | 0 | 0 | 111.3 | V456 M473 H477 | V456-M479 HydrophobicContact CG2-SD 3.8Å; M473-M479 HydrophobicContact CE-SD 3.98Å; M473-M479 PolarHBondContact O-N 3.09Å; H477-M479 HydrophobicContact CB-CG 4.05Å; H477-M479 HydrophobicContact CB-SD 4.41Å; H477-M479 WeakPolarHBondContact O-CG 3.43Å; H477-M479 PolarHBondContact O-N 3.09Å; H477-M479 VanDerWaalsContact O-N 3.09Å | ||
| 480 | E | 50.4 | Low | 56.6 | Low | 142 Ų | 142 | 117 Ų | 117 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 143.3 | 163.8 | -160.9 | 149.6 | -114.1 | 0 | 0 | 110.1 | K474 G478 S482 | K474-E480 WeakPolarHBondContact CE-OE1 3.33Å; K474-E480 IonicContact NZ-OE1 2.55Å; K474-E480 PolarHBondContact NZ-OE1 3.22Å; G478-E480 PolarHBondContact O-N 2.83Å; E480-S482 PolarHBondContact O-N 3.17Å |
| 481 | K | 39.8 | Very low | 54.3 | Low | 193 Ų | 193 | 119.8 Ų | 119.8 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 121.4 | -164.1 | -79.7 | -171.1 | 170.9 | -167.1 | 0 | 113.5 | ||
| 482 | S | 31.6 | Very low | 51.5 | Low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -93 | 164.8 | 156.9 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | E480 | E480-S482 PolarHBondContact O-N 3.17Š|
| 483 | L | 30.6 | Very low | 48.4 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.9 | -159.8 | -62 | 88.9 | 0 | 0 | 0 | 116 | ||
| 484 | E | 31.1 | Very low | 45.5 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 146.1 | 155.2 | -65.3 | -78 | 131.9 | 0 | 0 | 110.6 | ||
| 485 | P | 33.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 132.5 | 164.2 | -5.4 | 24.3 | 0 | 0 | 0 | 111.7 | ||
| 486 | E | 29.8 | Very low | 40.4 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.2 | 171.1 | -89.3 | -93.6 | 137.8 | 0 | 0 | 112.5 | ||
| 487 | E | 26.4 | Very low | 38.1 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -141.9 | 135.4 | 145.3 | -139.8 | 173.5 | -160.5 | 0 | 0 | 111 | ||||
| 488 | S | 26.5 | Very low | 35.2 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -117.4 | -166 | -169.4 | 68.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 489 | P | 49 | Very low | 34 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -146.5 | 163.7 | 12 | 40.6 | -19.7 | 0 | 0 | 0 | 119.8 | ||||
| 490 | G | 26.1 | Very low | 32.4 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 127.2 | 159.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 491 | K | 35.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | cis | -170.9 | 142.5 | -10.4 | -131 | 169.8 | -174.3 | 167.7 | 0 | 110.3 | ||||
| 492 | R | 31.1 | Very low | 30.7 | Very low | 229 Ų | 229 | 140.2 Ų | 140.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 70.6 | 157.2 | 164.7 | -67.2 | 178.2 | -80.1 | -164.8 | -4.3 | 116.4 | ||||
| 493 | H | 25.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | -166.3 | 129.7 | -20.1 | 166.6 | 80.5 | 0 | 0 | 0 | 112.2 | ||||
| 494 | V | 26.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 2.5 | 128.5 | 157.2 | -170.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 495 | Q | 30 | Very low | 31.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | -169.8 | 179.1 | 119.7 | -104 | -172.6 | 29.1 | 0 | 0 | 114.4 | |||||
| 496 | T | 30 | Very low | 30.8 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -154.9 | 137.7 | -151.7 | -46.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 497 | R | 28.1 | Very low | 30.7 | Very low | 247 Ų | 247 | 138.2 Ų | 138.2 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | 156.4 | 150.2 | 145.9 | -89.5 | 160.8 | 173 | 173.3 | -2.9 | 113.4 | ||||
| 498 | G | 24.3 | Very low | 30.7 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -106 | -146.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 499 | P | 48.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -138.6 | -158.8 | -5.9 | 42.1 | -22.4 | 0 | 0 | 0 | 113.9 | ||||
| 500 | S | 26.2 | Very low | 30.1 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 69 | 155.1 | 160.5 | 38.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 501 | A | 27.7 | Very low | 30.3 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | cis | -171.1 | -175.7 | -15.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 502 | S | 27.5 | Very low | 30.1 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 80.5 | 151.5 | 168.3 | -104.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 503 | D | 25 | Very low | 30.2 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | -141.4 | -169 | 12.4 | -136.5 | -64.8 | 0 | 0 | 0 | 115.9 | ||||
| 504 | K | 31.3 | Very low | 30.4 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 75% | 0.753 | S | S | * | * | trans | -119.3 | -174.2 | -156.5 | -107.5 | -179.5 | -175.5 | 177.4 | 0 | 114.4 | ||||
| 505 | P | 46.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | -116.5 | -150.2 | 16.2 | 33.3 | -10.1 | 0 | 0 | 0 | 113 | ||||
| 506 | S | 25 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -163.1 | -176.8 | 11.1 | 72 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 507 | Q | 27.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | cis | -145.4 | -94.3 | -8.4 | -156.8 | -170.2 | -24.8 | 0 | 0 | 113.2 | ||||
| 508 | E | 27.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | trans | -151.9 | 160.3 | -154.6 | -83.9 | 163 | -130.1 | 0 | 0 | 112.1 | ||||
| 509 | T | 26.8 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | cis | -161.7 | 136.1 | -17.1 | 21.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 510 | L | 34.6 | Very low | 30 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 35.9 | 108.8 | 135.3 | -58.8 | 174.9 | 0 | 0 | 0 | 125.7 | ||||
| 511 | T | 31.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | 77.8 | 138.8 | 122.7 | 70.3 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 512 | R | 31.3 | Very low | 29.8 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 111.9 | 126.4 | 120.3 | -127 | -179.5 | -174.9 | -179.9 | 6.1 | 122.1 | |||||
| 513 | K | 33.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | 74.2 | 161.2 | 144.5 | -96.9 | 174.2 | -176.2 | 177.9 | 0 | 117.4 | ||||
| 514 | R | 29.5 | Very low | 29.9 | Very low | 198 Ų | 198 | 135 Ų | 135 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | cis | -169 | 142.7 | 10.1 | 124.2 | -169 | -82.1 | 172.3 | -9.1 | 113.4 | ||||
| 515 | V | 28.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | 63.6 | 155 | 148.3 | 162 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 516 | S | 26.5 | Very low | 29.1 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | cis | 179.1 | 179.1 | -22.6 | -81.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 517 | A | 24.6 | Very low | 29.4 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | cis | -177.7 | -177.6 | -40.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 518 | S | 24.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | 70.9 | 141.5 | 165.3 | 56.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 519 | S | 24.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -95.7 | -159.7 | 175 | -30.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 520 | P | 49.6 | Very low | 29.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | cis | -136.2 | -151.3 | -16.4 | 31.2 | -6.6 | 0 | 0 | 0 | 112.8 | ||||
| 521 | T | 23.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | 82.9 | 160 | 160.6 | 77.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 522 | T | 26 | Very low | 29.8 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | cis | -165.5 | 180 | -42.7 | 44.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 523 | K | 26.9 | Very low | 29.5 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | 78.9 | 145.8 | 155.1 | -75.1 | -176.5 | -179.6 | 178.9 | 0 | 118 | ||||
| 524 | D | 28.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | cis | -165.5 | 169.4 | -20.9 | -139.1 | -27.2 | 0 | 0 | 0 | 111.8 | ||||
| 525 | K | 31.2 | Very low | 29.1 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | 66 | 160.7 | 147.9 | -77.4 | 178.3 | 176.1 | -78.6 | 0 | 121.3 | ||||
| 526 | E | 31.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 56% | 0.556 | 69% | 0.688 | S | S | * | * | cis | 170.6 | 161.9 | -31.9 | -109.3 | -171.1 | 156.3 | 0 | 0 | 106.9 | ||||
| 527 | K | 31.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | cis | -171.6 | -175.8 | -14.7 | -135.2 | -179 | -158.2 | 154 | 0 | 106 | ||||
| 528 | N | 28.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 52% | 0.519 | 70% | 0.699 | S | S | . | * | cis | -161.5 | 139.4 | -3.6 | -173.9 | 62.4 | 0 | 0 | 0 | 109 | ||||
| 529 | K | 29.2 | Very low | 28.8 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | 176.6 | 112.7 | 138.1 | -96.1 | 155.4 | -176.1 | -176.2 | 0 | 110.2 | ||||
| 530 | E | 31.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 58% | 0.575 | 69% | 0.691 | S | S | * | * | 79.1 | 135.5 | 70.8 | -78.6 | -163.7 | 138.7 | 0 | 0 | 113.2 | |||||
| 531 | K | 35.5 | Very low | 28 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 70% | 0.7 | 69% | 0.686 | S | S | * | * | cis | -144.9 | 145.9 | -4.2 | -86.5 | 135.1 | 169 | 139.9 | 0 | 105.5 | ||||
| 532 | K | 30.7 | Very low | 28.1 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | cis | 65.1 | 104.3 | 42.3 | -171.5 | 160.4 | -174.2 | 160.2 | 0 | 117.2 | E535 | K532-E535 IonicContact NZ-OE2 2.64Å; K532-E535 PolarHBondContact NZ-OE2 3.05Å | ||
| 533 | F | 26.2 | Very low | 28.3 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | -130.6 | 127.9 | 127.8 | -96 | -101.3 | 0 | 0 | 0 | 106.6 | |||||
| 534 | K | 28.4 | Very low | 28.4 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | cis | 85.6 | 97.3 | 41.6 | -169.6 | -175.4 | 179.1 | -172.9 | 0 | 110.5 | ||||
| 535 | E | 24.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | cis | 84 | 146.2 | 45.7 | -163.4 | -169.4 | 180 | 0 | 0 | 113.3 | K532 | K532-E535 IonicContact NZ-OE2 2.64Å; K532-E535 PolarHBondContact NZ-OE2 3.05Å | ||
| 536 | F | 23.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 69% | 0.689 | 70% | 0.695 | S | S | * | * | trans | 78 | 145.4 | -175.1 | -55.5 | -79.8 | 0 | 0 | 0 | 114 | ||||
| 537 | V | 26.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 154 Ų | 154 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | cis | -118.6 | 155.9 | 25.1 | 174.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 538 | R | 24.1 | Very low | 27.9 | Very low | 206 Ų | 206 | 154 Ų | 154 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -128.5 | 177.2 | 177.3 | -165.8 | -176.8 | -169.9 | -175.9 | 7.8 | 108.5 | ||||
| 539 | V | 24.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | trans | 93.5 | 103.2 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 540 | K | 26 | Very low | 27.8 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | 66.2 | 141.9 | 75.9 | -75.5 | -179.6 | 175.8 | 179.6 | 0 | 111 | |||||
| 541 | P | 30.6 | Very low | 27.5 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | -163 | 157.2 | 71.9 | 43 | -21.6 | 0 | 0 | 0 | 121.6 | |||||
| 542 | K | 25.2 | Very low | 27.3 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | trans | 71 | 159.5 | 142.3 | -70.6 | 158.7 | -158.6 | 161.6 | 0 | 115.2 | ||||
| 543 | K | 30.2 | Very low | 27.1 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | cis | -159.7 | 145.9 | 2.3 | -125.6 | 161.2 | -175 | 179.9 | 0 | 109.9 | ||||
| 544 | K | 28.7 | Very low | 26.8 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 74% | 0.739 | 67% | 0.673 | S | S | * | * | trans | 40.5 | 152.6 | 133.7 | -64.8 | -179.2 | -174.1 | -178.8 | 0 | 120 | ||||
| 545 | K | 29.2 | Very low | 26.7 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 74% | 0.735 | 68% | 0.682 | S | S | * | * | cis | -166.2 | 149.6 | 2.6 | -119.1 | 177.6 | 174.7 | -171.8 | 0 | 104.9 | ||||
| 546 | K | 27.8 | Very low | 26.7 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | -159.7 | 143.8 | 68.8 | -111.7 | 177.6 | 178.5 | 179.7 | 0 | 105.3 | |||||
| 547 | K | 28.1 | Very low | 26.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | cis | 64.5 | 124.2 | 37.5 | -123.8 | -123.1 | -178.7 | -177.1 | 0 | 111.5 | ||||
| 548 | K | 26.8 | Very low | 26.5 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | cis | -172.7 | -177.5 | -4 | -154.6 | -150.3 | 178.1 | -170.7 | 0 | 107.6 | ||||
| 549 | K | 27 | Very low | 26.4 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 59% | 0.591 | 68% | 0.679 | S | S | * | * | trans | 70.2 | 165.4 | 161.3 | -110.2 | -96.8 | -173.3 | 173.9 | 0 | 113.2 | I224 E226 | I224-K549 HydrophobicContact CD1-CD 4.32Å; E226-K549 CarbonylContact O-C 3.52Å; E226-K549 VanDerWaalsContact O-C 3.29Å | ||
| 550 | K | 27.8 | Very low | 26.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 46% | 0.461 | 68% | 0.68 | S | S | . | * | 174.1 | 136.3 | -122.4 | -85.8 | -153.7 | 134.1 | -146.1 | 0 | 114.2 | I224 S225 | I224-K550 HydrophobicContact CB-CB 3.78Å; I224-K550 HydrophobicContact CB-CD 4.19Å; I224-K550 HydrophobicContact CD1-CB 4.27Å; I224-K550 HydrophobicContact CG1-CB 3.58Å; I224-K550 WeakPolarHBondContact CG1-O 3.42Å; I224-K550 HydrophobicContact CG2-CB 3.63Å; I224-K550 HydrophobicContact CG2-CD 3.28Å; I224-K550 HydrophobicContact CG2-CG 3.88Å; I224-K550 VanDerWaalsContact O-CD 3.23Å; I224-K550 WeakPolarHBondContact O-CD 3.5Å; I224-K550 WeakPolarHBondContact O-CE 3.4Å; I224-K550 PolarHBondContact O-NZ 3.15Å; S225-K550 VanDerWaalsContact CA-CB 3.4Å; S225-K550 VanDerWaalsContact CA-CG 3.47Å | |||
| 551 | T | 24.7 | Very low | 26.4 | Very low | 38 Ų | 38 | 136.7 Ų | 136.7 | 23% | 0.233 | 68% | 0.679 | C | S | . | * | 156 | 141.7 | 121.1 | -35.9 | 0 | 0 | 0 | 0 | 121.6 | N223 I224 S225 | N223-T551 HydrophobicContact CB-CG2 3.69Å; I224-T551 VanDerWaalsContact CA-OG1 3.24Å; I224-T551 WeakPolarHBondContact CA-OG1 3.04Å; I224-T551 WeakPolarHBondContact CG1-OG1 3.31Å; I224-T551 PolarHBondContact N-OG1 3.41Å; S225-T551 PolarHBondContact N-OG1 2.83Å; S225-T551 VanDerWaalsContact N-OG1 3.15Å; S225-T551 CarbonylContact O-C 3.54Å; S225-T551 WeakPolarHBondContact O-CA 3.31Å; S225-T551 PolarHBondContact O-N 3.23Å | |||
| 552 | K | 32.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -26.9 | 144.7 | 142.7 | -109.1 | -162.2 | 175.2 | -167.5 | 0 | 115.8 | S225 | S225-K552 PolarHBondContact OG-N 2.9Š| ||
| 553 | P | 26.4 | Very low | 26 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | -106.2 | 162.2 | 97.2 | -12.2 | 30.6 | 0 | 0 | 0 | 111.5 | |||||
| 554 | E | 20.3 | Very low | 25.7 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | 67.6 | 145.9 | 64.3 | -61 | -162.4 | 134.4 | 0 | 0 | 115.2 | |||||
| 555 | C | 26.8 | Very low | 25.4 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -103.7 | 168.1 | -159.8 | -45.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 556 | P | 24.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | trans | -78.1 | 145.2 | 140.7 | -8.9 | 28.3 | 0 | 0 | 0 | 109.8 | ||||
| 557 | C | 20.1 | Very low | 25 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | 66.4 | 137.4 | 51.9 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 558 | S | 24.4 | Very low | 24.8 | Very low | 74 Ų | 74 | 128 Ų | 128 | 52% | 0.517 | 69% | 0.693 | S | S | . | * | cis | -171.2 | 174.3 | 1.3 | -124.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 559 | E | 23.2 | Very low | 24.7 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 77% | 0.771 | 69% | 0.686 | S | S | * | * | trans | 59.2 | 165.1 | 148.1 | -77.8 | 123.2 | -123.9 | 0 | 0 | 120.2 | ||||
| 560 | E | 24.6 | Very low | 25.9 | Very low | 157 Ų | 157 | 123 Ų | 123 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | cis | -169.6 | 173.2 | -37.7 | -153.8 | -164.8 | 162.6 | 0 | 0 | 108.5 | ||||
| 561 | I | 26.5 | Very low | 26.6 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | 55.5 | 155.7 | 161 | 57.4 | 173 | 0 | 0 | 0 | 119.8 | ||||
| 562 | S | 23.4 | Very low | 26.6 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | cis | -159.2 | 137.5 | -8.9 | 36.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 563 | D | 23.8 | Very low | 26.3 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | 72.6 | 155.3 | 73.5 | -158 | 15.9 | 0 | 0 | 0 | 115.2 | |||||
| 564 | T | 22.7 | Very low | 26.2 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 70.4 | 141.5 | -169.8 | 52.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 565 | S | 22.7 | Very low | 26.6 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | cis | -164.4 | 153.7 | -4.3 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 566 | Q | 22.6 | Very low | 26.5 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | 73.2 | 123.2 | 143.9 | -79.7 | 175.8 | -13.7 | 0 | 0 | 122.6 | ||||
| 567 | E | 26.4 | Very low | 26.6 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -62.2 | 162.8 | 154.3 | -145.1 | -159.1 | 115.9 | 0 | 0 | 111.8 | S569 | E567-S569 WeakPolarHBondContact OE1-CB 3.2Å; E567-S569 PolarHBondContact OE1-N 3.05Å; E567-S569 PolarHBondContact OE1-OG 3.39Å | ||
| 568 | P | 24.5 | Very low | 26.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | -144.1 | 159.4 | 88.9 | 39 | -24.7 | 0 | 0 | 0 | 116.2 | |||||
| 569 | S | 23.2 | Very low | 26.7 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | trans | -120.4 | -157.6 | 177.9 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | E567 | E567-S569 WeakPolarHBondContact OE1-CB 3.2Å; E567-S569 PolarHBondContact OE1-N 3.05Å; E567-S569 PolarHBondContact OE1-OG 3.39Å | ||
| 570 | P | 52.6 | Low | 26.7 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | -117.8 | -31.6 | -53.4 | 18.2 | -4.6 | 0 | 0 | 0 | 121.7 | |||||
| 571 | P | 42 | Very low | 26.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | -127.6 | 125.2 | -122.3 | 37 | -19.4 | 0 | 0 | 0 | 118.6 | |||||
| 572 | K | 25.1 | Very low | 26.8 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -175.3 | 114.8 | 145.6 | -98.5 | 150.6 | -172.9 | 176.6 | 0 | 108.1 | ||||
| 573 | A | 27 | Very low | 27 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 71.8 | 112.8 | 36.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 574 | F | 23.6 | Very low | 27.5 | Very low | 213 Ų | 213 | 135.5 Ų | 135.5 | 93% | 0.934 | 78% | 0.775 | S | S | * | * | -168.6 | 173.2 | 128.2 | -97.6 | -61.9 | 0 | 0 | 0 | 110.4 | |||||
| 575 | A | 28.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -136.9 | -166 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 576 | V | 24.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 97 | 91.2 | 166.7 | -169.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 577 | T | 27.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | 6.1 | 122.3 | 130 | -39.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 578 | R | 22.5 | Very low | 28.7 | Very low | 248 Ų | 248 | 131.7 Ų | 131.7 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | -165 | 170.7 | 129.2 | -124.1 | -179.7 | 177.7 | 175.4 | -0.4 | 113.6 | |||||
| 579 | C | 23.1 | Very low | 29.1 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -124.1 | 162 | -172.2 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 580 | G | 23.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 122.8 | 147.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 581 | S | 26.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -166 | 144.1 | -8.6 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 582 | S | 28 | Very low | 27.9 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 51.6 | 154.8 | 151.8 | -53.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 583 | H | 26.8 | Very low | 28.2 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | cis | -144.3 | 163.4 | 31.2 | -82.9 | -96.7 | 0 | 0 | 0 | 114.9 | ||||
| 584 | K | 34.9 | Very low | 28.1 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -115.1 | 170.9 | 157.2 | -73.9 | -171.5 | 175.6 | -174.2 | 0 | 109.8 | ||||
| 585 | P | 37.5 | Very low | 28 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -133.9 | 165 | 105.8 | 38.1 | -30.3 | 0 | 0 | 0 | 113 | |||||
| 586 | G | 27.7 | Very low | 29.3 | Very low | 52 Ų | 52 | 136.9 Ų | 136.9 | 54% | 0.536 | 79% | 0.79 | S | S | . | * | cis | -120.5 | -125.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 587 | V | 26.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | cis | -155.8 | 168.1 | -3.6 | -150.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 588 | H | 27.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | -159.8 | 172.6 | -177.3 | -136 | -133.1 | 0 | 0 | 0 | 111.4 | ||||
| 589 | M | 32 | Very low | 29.1 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | -159.1 | 164.2 | 51.8 | -77.1 | -73.9 | 169.9 | 0 | 0 | 114.8 | |||||
| 590 | S | 30.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -137.9 | 160.9 | 159.2 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 591 | P | 39.6 | Very low | 29.4 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -94.9 | 169.3 | 179.3 | -2.2 | 23.8 | 0 | 0 | 0 | 114.9 | ||||
| 592 | Q | 23.5 | Very low | 29.6 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -131.1 | 176.4 | 178.3 | -82.3 | -161.7 | 5.9 | 0 | 0 | 113.5 | ||||
| 593 | L | 31.6 | Very low | 29.3 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -63.7 | 159.6 | 173.1 | -56.1 | 166.9 | 0 | 0 | 0 | 113.7 | ||||
| 594 | H | 23.6 | Very low | 29.3 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 176.6 | 161.5 | 137.3 | -94.8 | -63.4 | 0 | 0 | 0 | 112.6 | ||||
| 595 | G | 22.8 | Very low | 28.8 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | -115.4 | -156.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 596 | P | 54.5 | Low | 28.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -135.3 | -161.2 | 4.6 | 41.7 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 597 | E | 21.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 164.7 | 164 | 132.8 | -85.4 | -103.6 | 86.6 | 0 | 0 | 116.4 | ||||
| 598 | S | 27.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -51.7 | 168.2 | -164.3 | 73 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 599 | G | 23.1 | Very low | 28.2 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -180 | 146.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 600 | H | 25.4 | Very low | 28 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 150.4 | -165.7 | -137.1 | 29.9 | 0 | 0 | 0 | 117.2 | ||||
| 601 | H | 26.7 | Very low | 28 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | trans | 89.7 | 103.4 | 159.4 | -59.6 | -35.6 | 0 | 0 | 0 | 124.1 | ||||
| 602 | K | 29.4 | Very low | 27.4 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | 66.3 | 117.1 | 127.2 | -67.8 | -174.1 | 175.4 | 178.3 | 0 | 122.9 | |||||
| 603 | G | 23.1 | Very low | 27.8 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 166.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 604 | K | 26.6 | Very low | 28 | Very low | 219 Ų | 219 | 139.6 Ų | 139.6 | 95% | 0.952 | 79% | 0.786 | S | S | * | * | trans | -102.4 | 159.1 | 178.4 | -59 | 169.1 | -177.6 | 170.2 | 0 | 110 | ||||
| 605 | G | 24.9 | Very low | 28.1 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 147.1 | 166.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 606 | K | 26.8 | Very low | 28.5 | Very low | 211 Ų | 211 | 142.7 Ų | 142.7 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | 76.8 | 121.6 | -179.2 | -59.6 | -171.2 | 173.5 | -170.1 | 0 | 115.3 | ||||
| 607 | A | 24.2 | Very low | 27.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | 84.4 | 146.3 | 92 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 608 | L | 28 | Very low | 27.9 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | cis | -134 | -177.8 | 29.1 | -177 | 55.6 | 0 | 0 | 0 | 112.4 | ||||
| 609 | E | 27.3 | Very low | 27.7 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -70.5 | -172 | 163.8 | -50.4 | -176.6 | 136.3 | 0 | 0 | 109.5 | ||||
| 610 | E | 28.4 | Very low | 27.9 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | -162.5 | 169.5 | 54.6 | -72.3 | 168.2 | 176.6 | 0 | 0 | 110.5 | |||||
| 611 | D | 29.6 | Very low | 27.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 24.2 | 145.4 | 142.8 | -77.3 | 0.1 | 0 | 0 | 0 | 123 | ||||
| 612 | N | 27.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | cis | -163.5 | 170.2 | -17.8 | -142.1 | -76.5 | 0 | 0 | 0 | 108.6 | ||||
| 613 | L | 30.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -10 | 126.2 | 175 | -65.4 | 160.7 | 0 | 0 | 0 | 121.2 | ||||
| 614 | S | 36.8 | Very low | 27.8 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 34.5 | 131.6 | 131.9 | -50.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 615 | E | 25.1 | Very low | 28 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 95% | 0.949 | 73% | 0.726 | S | S | * | * | -164.5 | -167.4 | 121.9 | -111.4 | 174.5 | 171.2 | 0 | 0 | 114.5 | |||||
| 616 | S | 31.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -91.2 | 173.6 | -140.8 | -157.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 617 | S | 37.8 | Very low | 28.7 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 46% | 0.462 | 73% | 0.734 | S | S | . | * | trans | -62.2 | 154 | -178.8 | 149.1 | 0 | 0 | 0 | 0 | 118.6 | K149 | K149-S617 WeakPolarHBondContact CE-OG 3.48Å; K149-S617 PolarHBondContact NZ-OG 3.39Å | ||
| 618 | S | 25.8 | Very low | 29.4 | Very low | 51 Ų | 51 | 143.7 Ų | 143.7 | 36% | 0.357 | 74% | 0.738 | S | S | . | * | -173.1 | 138.3 | 118.8 | -83.4 | 0 | 0 | 0 | 0 | 110.4 | E150 T151 | E150-S618 WeakPolarHBondContact O-CB 3.33Å; E150-S618 PolarHBondContact O-OG 3.42Å; T151-S618 WeakPolarHBondContact OG1-CB 3.39Å | |||
| 619 | E | 24 | Very low | 29.6 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 34% | 0.341 | 73% | 0.731 | S | S | . | * | 64.9 | 152.6 | 89.1 | 120.7 | -167.7 | 47.7 | 0 | 0 | 116.1 | K149 E150 T151 | K149-E619 WeakPolarHBondContact CA-OE1 3.39Å; K149-E619 HydrophobicContact CB-CB 4.2Å; K149-E619 WeakPolarHBondContact CB-OE1 3.4Å; K149-E619 HydrophobicContact CD-CB 3.91Å; E150-E619 VanDerWaalsContact CA-CD 3.47Å; E150-E619 WeakPolarHBondContact CA-OE1 3.28Å; E150-E619 WeakPolarHBondContact CA-OE2 3.45Å; E150-E619 PolarHBondContact N-OE1 2.82Å; T151-E619 PolarHBondContact N-OE1 3.21Å; T151-E619 VanDerWaalsContact N-OE1 3.11Å; T151-E619 PolarHBondContact N-OE2 3.14Å; T151-E619 WeakPolarHBondContact OG1-CG 3.44Å; T151-E619 PolarHBondContact OG1-O 3.07Å | |||
| 620 | S | 26.3 | Very low | 30.1 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | cis | -163.3 | 162.7 | -13.8 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 621 | F | 25.4 | Very low | 30.3 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | 60.2 | 170.9 | 158.9 | -70.5 | -60.9 | 0 | 0 | 0 | 120.4 | ||||
| 622 | L | 24.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 64.3 | 125.3 | -176.5 | -64.3 | 165.6 | 0 | 0 | 0 | 115.9 | ||||
| 623 | W | 27.2 | Very low | 30.6 | Very low | 261 Ų | 261 | 141.7 Ų | 141.7 | 99% | 0.989 | 75% | 0.751 | S | S | * | * | -130.4 | 125.1 | 120.6 | -80.9 | -18 | 0 | 0 | 0 | 107.6 | |||||
| 624 | S | 26.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -87 | -178 | 154.7 | -66 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 625 | D | 29.4 | Very low | 30.5 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -55.1 | 150.6 | -175.8 | -53.9 | -84.7 | 0 | 0 | 0 | 115.3 | ||||
| 626 | D | 29.6 | Very low | 30.9 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | trans | -107.6 | 99.6 | 147.7 | -92.3 | -51.2 | 0 | 0 | 0 | 107.3 | ||||
| 627 | E | 36.9 | Very low | 31 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -82.9 | 133.6 | 176 | -173.7 | -174.7 | 157.4 | 0 | 0 | 110.6 | G629 | E627-G629 PolarHBondContact O-N 3.46Å; E627-G629 VanDerWaalsContact O-N 3.11Å | ||
| 628 | Y | 39.3 | Very low | 31.3 | Very low | 234 Ų | 234 | 141 Ų | 141 | 92% | 0.918 | 75% | 0.751 | S | S | * | * | trans | -87.7 | 77.8 | 179.5 | -144.5 | -79.7 | 0 | 0 | 0 | 111.2 | ||||
| 629 | G | 32.9 | Very low | 31.5 | Very low | 58 Ų | 58 | 145.6 Ų | 145.6 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | -65.7 | 149.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E627 | E627-G629 PolarHBondContact O-N 3.46Å; E627-G629 VanDerWaalsContact O-N 3.11Å | ||
| 630 | Q | 37.3 | Very low | 32.1 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -142.2 | 115 | 165.3 | -173 | 160.3 | 23.1 | 0 | 0 | 110.1 | ||||
| 631 | D | 32.7 | Very low | 33 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -64.7 | 146.5 | -176 | -62 | -68 | 0 | 0 | 0 | 114 | ||||
| 632 | V | 34 | Very low | 33.6 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | -167.4 | 109.8 | 107.8 | -91.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 633 | D | 28.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 155.9 Ų | 155.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 37.8 | 118 | 137.6 | -137.1 | 41.1 | 0 | 0 | 0 | 124.1 | ||||
| 634 | V | 32.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 64% | 0.642 | 81% | 0.805 | S | S | * | * | 80.1 | 106.3 | 129 | 158 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 635 | T | 34 | Very low | 35.8 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 57.7 | 112.9 | 144.2 | 65.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 636 | T | 32.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | -154.9 | 155.5 | 113.7 | -73.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 637 | N | 34.1 | Very low | 36.8 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -153.4 | 144.3 | 174.9 | -165.6 | 33.8 | 0 | 0 | 0 | 105.5 | ||||
| 638 | P | 43.8 | Very low | 37.2 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | cis | -133 | -166.7 | 12.5 | 38.2 | -17.3 | 0 | 0 | 0 | 114.9 | ||||
| 639 | D | 30.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 97.2 | 142.6 | -142.7 | 35.9 | 0 | 0 | 0 | 118.5 | ||||
| 640 | E | 36.4 | Very low | 38.2 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -136.6 | 134.1 | 143.9 | -76.3 | -160.9 | 143 | 0 | 0 | 109.4 | ||||
| 641 | E | 44.5 | Very low | 39.6 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -74.1 | 133.9 | 164 | -62.3 | 177 | 122.7 | 0 | 0 | 108.7 | ||||
| 642 | L | 37.4 | Very low | 41.9 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | trans | -131.8 | 121.7 | 158 | -149.8 | 79.5 | 0 | 0 | 0 | 110.4 | ||||
| 643 | D | 41.3 | Very low | 44.4 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 149.2 | 171.1 | -163.2 | 3.3 | 0 | 0 | 0 | 110.1 | ||||
| 644 | G | 37.5 | Very low | 47.1 | Very low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | -167.8 | 49.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D646 | G644-D646 VanDerWaalsContact C-N 3.25Å; G644-D646 PolarHBondContact O-N 2.82Å | ||
| 645 | D | 45.1 | Very low | 49.7 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 85 | 165.9 | -177.1 | 30.2 | 0 | 0 | 0 | 110.5 | ||||
| 646 | D | 39.9 | Very low | 52.1 | Low | 128 Ų | 128 | 127 Ų | 127 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | trans | -125.2 | 92 | 159.7 | -116.2 | -39.4 | 0 | 0 | 0 | 109.5 | G644 Y648 | G644-D646 VanDerWaalsContact C-N 3.25Å; G644-D646 PolarHBondContact O-N 2.82Å; D646-Y648 VanDerWaalsContact C-N 3.28Å; D646-Y648 HydrophobicContact CB-CD2 4.47Å; D646-Y648 HydrophobicContact CB-CE2 4.18Å; D646-Y648 VanDerWaalsContact O-CD2 3.25Å; D646-Y648 WeakPolarHBondContact O-CD2 3.3Å; D646-Y648 PolarHBondContact O-N 3.4Å | ||
| 647 | R | 41.9 | Very low | 54.6 | Low | 214 Ų | 214 | 122.5 Ų | 122.5 | 81% | 0.808 | 62% | 0.621 | S | S | * | * | trans | -74.3 | 79.8 | 176 | -174.6 | -176.4 | -172.8 | -118.6 | 5.3 | 109.6 | D649 | R647-D649 PolarHBondContact O-N 3.48Š| ||
| 648 | Y | 44.8 | Very low | 56.9 | Low | 174 Ų | 174 | 124.3 Ų | 124.3 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | trans | -48.9 | 91.1 | 176.5 | -78.5 | -97.2 | 0 | 0 | 0 | 112.2 | D646 F650 | D646-Y648 VanDerWaalsContact C-N 3.28Å; D646-Y648 HydrophobicContact CB-CD2 4.47Å; D646-Y648 HydrophobicContact CB-CE2 4.18Å; D646-Y648 VanDerWaalsContact O-CD2 3.25Å; D646-Y648 WeakPolarHBondContact O-CD2 3.3Å; D646-Y648 PolarHBondContact O-N 3.4Å; Y648-F650 HydrophobicContact CD1-CE1 4.25Å; Y648-F650 HydrophobicContact CD1-CZ 4.29Å; Y648-F650 HydrophobicContact CG-CZ 4.22Å; Y648-F650 VanDerWaalsContact O-CD2 3.28Å; Y648-F650 WeakPolarHBondContact O-CD2 3.21Å; Y648-F650 PolarHBondContact O-N 2.87Å | ||
| 649 | D | 45.8 | Very low | 58.6 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | trans | -76.7 | 80.9 | 168.5 | -156.6 | 14.9 | 0 | 0 | 0 | 105.8 | R647 E651 R789 | R647-D649 PolarHBondContact O-N 3.48Å; D649-E651 PolarHBondContact O-N 3.28Å; D649-R789 IonicContact OD2-NH1 2.68Å | ||
| 650 | F | 46.7 | Very low | 60.8 | Low | 159 Ų | 159 | 120.3 Ų | 120.3 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | trans | -57.2 | 100.9 | -174.4 | -73.6 | -81.5 | 0 | 0 | 0 | 110.3 | Y648 V652 | Y648-F650 HydrophobicContact CD1-CE1 4.25Å; Y648-F650 HydrophobicContact CD1-CZ 4.29Å; Y648-F650 HydrophobicContact CG-CZ 4.22Å; Y648-F650 VanDerWaalsContact O-CD2 3.28Å; Y648-F650 WeakPolarHBondContact O-CD2 3.21Å; Y648-F650 PolarHBondContact O-N 2.87Å; F650-V652 VanDerWaalsContact C-N 3.27Å; F650-V652 VanDerWaalsContact O-CG2 3.32Å; F650-V652 WeakPolarHBondContact O-CG2 3.46Å; F650-V652 PolarHBondContact O-N 2.99Å | ||
| 651 | E | 67.9 | Low | 62.8 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | trans | -71.5 | 82.1 | 178.9 | -69.8 | -144.2 | 129.1 | 0 | 0 | 110 | D649 V653 Q668 W675 | D649-E651 PolarHBondContact O-N 3.28Å; E651-V653 PolarHBondContact O-N 3.27Å; E651-Q668 PolarHBondContact OE1-NE2 3.44Å; E651-W675 PolarHBondContact OE2-NE1 2.96Å | ||
| 652 | V | 81.1 | Confident | 63.8 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 39% | 0.394 | 58% | 0.582 | S | S | . | * | trans | -63.7 | 99.3 | -170.8 | -176 | 0 | 0 | 0 | 0 | 111.2 | F650 R654 C674 W675 | F650-V652 VanDerWaalsContact C-N 3.27Å; F650-V652 VanDerWaalsContact O-CG2 3.32Å; F650-V652 WeakPolarHBondContact O-CG2 3.46Å; F650-V652 PolarHBondContact O-N 2.99Å; V652-R654 PolarHBondContact O-N 3.29Å; V652-C674 VanDerWaalsContact O-CA 3.23Å; V652-C674 WeakPolarHBondContact O-CA 3.4Å; V652-C674 VanDerWaalsContact O-CB 3.26Å; V652-C674 WeakPolarHBondContact O-CB 3.47Å; V652-W675 PolarHBondContact O-N 3.46Å | ||
| 653 | V | 86.1 | Confident | 65.4 | Low | 15 Ų | 15 | 112.6 Ų | 112.6 | 9% | 0.091 | 56% | 0.558 | C | S | . | * | B | Isolated β-bridge | trans | -57.7 | 133 | 159.7 | -164.2 | 0 | 0 | 0 | 0 | 108.2 | E651 Q660 M666 W675 | E651-V653 PolarHBondContact O-N 3.27Å; V653-Q660 PolarHBondContact O-OE1 3.17Å; V653-M666 HydrophobicContact CB-CE 4.4Å; V653-M666 HydrophobicContact CG1-CE 3.66Å; V653-M666 HydrophobicContact CG2-CE 3.79Å; V653-W675 CarbonylContact C-O 3.29Å; V653-W675 VanDerWaalsContact CA-O 3.3Å; V653-W675 WeakPolarHBondContact CA-O 3.49Å; V653-W675 HydrophobicContact CB-CB 4.48Å; V653-W675 HydrophobicContact CG1-CB 4.48Å; V653-W675 WeakPolarHBondContact CG1-O 3.21Å; V653-W675 HydrophobicContact CG2-CB 4.23Å |
| 654 | R | 84.3 | Confident | 67 | Low | 126 Ų | 126 | 114 Ų | 114 | 48% | 0.475 | 57% | 0.565 | S | S | . | * | trans | -148.7 | 66.9 | 177.2 | -169.7 | -175.7 | -66.2 | 163.9 | 2.2 | 109.7 | V652 C674 W675 Q676 | V652-R654 PolarHBondContact O-N 3.29Å; R654-C674 HydrophobicContact CB-CB 4.18Å; R654-W675 PolarHBondContact N-O 3.21Å; R654-Q676 WeakPolarHBondContact O-CG 3.42Å; R654-Q676 PolarHBondContact O-NE2 2.83Å | ||
| 655 | C | 87.3 | Confident | 69.5 | Low | 7 Ų | 7 | 113.1 Ų | 113.1 | 5% | 0.047 | 54% | 0.542 | C | S | . | . | trans | -90.7 | 157.3 | -178.5 | -160.8 | 0 | 0 | 0 | 0 | 112 | C657 E658 Q676 H677 C680 | C655-C657 VanDerWaalsContact CB-SG 3.56Å; C655-C657 PolarHBondContact O-N 2.91Å; C655-C657 VanDerWaalsContact SG-SG 3.61Å; C655-E658 PolarHBondContact O-N 2.99Å; C655-E658 VanDerWaalsContact O-N 3.09Å; C655-Q676 HydrophobicContact CB-CB 4.38Å; C655-H677 PolarHBondContact SG-N 2.85Å; C655-H677 VanDerWaalsContact SG-N 3.4Å; C655-H677 PolarHBondContact SG-ND1 2.96Å; C655-H677 VanDerWaalsContact SG-ND1 3.43Å; C655-C680 WeakPolarHBondContact SG-CB 3.49Å | ||
| 656 | I | 84.6 | Confident | 71.6 | Confident | 95 Ų | 95 | 108.1 Ų | 108.1 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.4 | -180 | 58.7 | 173.1 | 0 | 0 | 0 | 114.5 | E658 C680 M681 Y695 | I656-E658 VanDerWaalsContact C-N 3.3Å; I656-C680 HydrophobicContact CD1-CB 4.49Å; I656-C680 VanDerWaalsContact CD1-O 3.27Å; I656-C680 WeakPolarHBondContact CD1-O 2.31Å; I656-C680 HydrophobicContact CG1-CB 4.08Å; I656-M681 HydrophobicContact CB-CE 4.3Å; I656-M681 HydrophobicContact CD1-CE 4.04Å; I656-M681 HydrophobicContact CG1-CE 3.72Å; I656-M681 HydrophobicContact CG2-CE 3.89Å; I656-Y695 HydrophobicContact CG2-CD1 3.78Å; I656-Y695 HydrophobicContact CG2-CD2 4.39Å; I656-Y695 HydrophobicContact CG2-CE1 3.3Å; I656-Y695 HydrophobicContact CG2-CE2 3.97Å; I656-Y695 HydrophobicContact CG2-CG 4.31Å; I656-Y695 VanDerWaalsContact CG2-CZ 3.4Å |
| 657 | C | 86.4 | Confident | 74 | Confident | 52 Ų | 52 | 102.7 Ų | 102.7 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.5 | 174.3 | 56 | 0 | 0 | 0 | 0 | 113 | C655 V659 H677 | C655-C657 VanDerWaalsContact CB-SG 3.56Å; C655-C657 PolarHBondContact O-N 2.91Å; C655-C657 VanDerWaalsContact SG-SG 3.61Å; C657-V659 HydrophobicContact CB-CG2 4.39Å; C657-V659 PolarHBondContact O-N 3.07Å; C657-H677 VanDerWaalsContact SG-CE1 3.55Å; C657-H677 PolarHBondContact SG-ND1 3.21Å |
| 658 | E | 80.9 | Confident | 76.4 | Confident | 183 Ų | 183 | 95.1 Ų | 95.1 | 86% | 0.855 | 46% | 0.459 | S | S | * | . | trans | 60 | 5.1 | -174.9 | -55.8 | -177.1 | 168.1 | 0 | 0 | 114.8 | C655 I656 | C655-E658 PolarHBondContact O-N 2.99Å; C655-E658 VanDerWaalsContact O-N 3.09Å; I656-E658 VanDerWaalsContact C-N 3.3Å | ||
| 659 | V | 81.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | trans | -78.9 | 126.7 | 172.7 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | C657 E661 H677 | C657-V659 HydrophobicContact CB-CG2 4.39Å; C657-V659 PolarHBondContact O-N 3.07Å; V659-E661 HydrophobicContact CG1-CB 3.62Å; V659-E661 HydrophobicContact CG1-CG 3.82Å; V659-H677 PolarHBondContact O-CE1 3.35Å | ||
| 660 | Q | 76.1 | Confident | 80.6 | Confident | 115 Ų | 115 | 86.3 Ų | 86.3 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | trans | -87.7 | -15.2 | 177.1 | -163 | 67.5 | 21.1 | 0 | 0 | 112.8 | V653 | V653-Q660 PolarHBondContact O-OE1 3.17Š| ||
| 661 | E | 78.2 | Confident | 82.4 | Confident | 145 Ų | 145 | 82.2 Ų | 82.2 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -62.2 | 149.6 | -176.4 | -56.9 | 171.6 | 168.4 | 0 | 0 | 112.2 | V659 N663 H677 | V659-E661 HydrophobicContact CG1-CB 3.62Å; V659-E661 HydrophobicContact CG1-CG 3.82Å; E661-N663 PolarHBondContact O-N 3.4Å; E661-H677 PolarHBondContact O-NE2 3.4Å |
| 662 | E | 65.9 | Low | 83.3 | Confident | 174 Ų | 174 | 78.9 Ų | 78.9 | 81% | 0.813 | 39% | 0.393 | S | S | * | . | trans | -82.3 | 103.6 | -179.8 | -66.6 | 172 | -170.6 | 0 | 0 | 110.4 | M666 | E662-M666 HydrophobicContact CB-SD 4.14Å; E662-M666 HydrophobicContact CG-SD 4.12Å | ||
| 663 | N | 70.3 | Confident | 83.7 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -80.3 | 147.9 | 168.6 | -62.3 | 9.2 | 0 | 0 | 0 | 109.8 | E661 F665 M666 H677 | E661-N663 PolarHBondContact O-N 3.4Å; N663-F665 CarbonylContact O-C 3.57Å; N663-F665 PolarHBondContact O-N 3.25Å; N663-M666 VanDerWaalsContact O-CG 3.23Å; N663-M666 WeakPolarHBondContact O-CG 3.22Å; N663-H677 HydrophobicContact CB-CB 4.47Å; N663-H677 PolarHBondContact OD1-NE2 3.03Å | ||
| 664 | D | 75.4 | Confident | 83.8 | Confident | 185 Ų | 185 | 78.3 Ų | 78.3 | 99% | 0.989 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -44.9 | -28.5 | -179.3 | -53.3 | -43.1 | 0 | 0 | 0 | 115.8 | ||
| 665 | F | 88.9 | Confident | 84.2 | Confident | 49 Ų | 49 | 75.5 Ų | 75.5 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -124.4 | 107.1 | 173.6 | -179.8 | -130.4 | 0 | 0 | 0 | 112.7 | N663 G678 L683 V688 | N663-F665 CarbonylContact O-C 3.57Å; N663-F665 PolarHBondContact O-N 3.25Å; F665-G678 PolarHBondContact O-N 2.93Å; F665-L683 HydrophobicContact CE1-CB 4.14Å; F665-V688 HydrophobicContact CE1-CG2 4.37Å; F665-V688 HydrophobicContact CE2-CG2 4.1Å; F665-V688 HydrophobicContact CZ-CG2 3.49Å; F665-V688 VanDerWaalsContact CZ-CG2 3.49Å |
| 666 | M | 89.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 20% | 0.197 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 153.5 | 173.4 | -50.5 | -168.8 | 82.5 | 0 | 0 | 111.5 | V653 E662 N663 W675 Q676 | V653-M666 HydrophobicContact CB-CE 4.4Å; V653-M666 HydrophobicContact CG1-CE 3.66Å; V653-M666 HydrophobicContact CG2-CE 3.79Å; E662-M666 HydrophobicContact CB-SD 4.14Å; E662-M666 HydrophobicContact CG-SD 4.12Å; N663-M666 VanDerWaalsContact O-CG 3.23Å; N663-M666 WeakPolarHBondContact O-CG 3.22Å; M666-W675 HydrophobicContact CB-CE3 3.79Å; M666-W675 HydrophobicContact CB-CZ3 4.21Å; M666-W675 HydrophobicContact CE-CB 4.15Å; M666-Q676 CarbonylContact C-O 3.54Å; M666-Q676 WeakPolarHBondContact CA-O 3.46Å |
| 667 | I | 91 | Very high | 84.6 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.077 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.7 | 177.1 | -166.8 | 170.9 | 0 | 0 | 0 | 110.8 | W675 Q676 L683 V688 Y692 | I667-W675 VanDerWaalsContact C-CE3 3.4Å; I667-Q676 WeakPolarHBondContact CG2-O 3.46Å; I667-Q676 PolarHBondContact N-O 2.97Å; I667-Q676 PolarHBondContact O-N 3.38Å; I667-L683 HydrophobicContact CD1-CD1 3.57Å; I667-L683 HydrophobicContact CG2-CD1 4.42Å; I667-V688 HydrophobicContact CD1-CG1 3.81Å; I667-Y692 HydrophobicContact CB-CD1 4.35Å; I667-Y692 HydrophobicContact CD1-CD1 3.79Å; I667-Y692 HydrophobicContact CD1-CD2 3.91Å; I667-Y692 HydrophobicContact CD1-CG 3.46Å; I667-Y692 VanDerWaalsContact CD1-CG 3.46Å; I667-Y692 HydrophobicContact CG1-CD1 3.66Å; I667-Y692 HydrophobicContact CG1-CE1 4.34Å; I667-Y692 HydrophobicContact CG1-CG 3.87Å; I667-Y692 HydrophobicContact CG2-CD1 3.94Å; I667-Y692 HydrophobicContact CG2-CE1 3.71Å |
| 668 | Q | 91.8 | Very high | 84.8 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.5 | 178.3 | -168.3 | 177.6 | 91.6 | 0 | 0 | 109.8 | E651 Q673 W675 | E651-Q668 PolarHBondContact OE1-NE2 3.44Å; Q668-Q673 WeakPolarHBondContact CG-O 2.97Å; Q668-W675 HydrophobicContact CB-CD2 3.8Å; Q668-W675 HydrophobicContact CB-CE3 3.72Å; Q668-W675 HydrophobicContact CB-CH2 3.95Å; Q668-W675 HydrophobicContact CB-CZ2 4.02Å; Q668-W675 HydrophobicContact CB-CZ3 3.8Å; Q668-W675 HydrophobicContact CG-CD2 4.24Å; Q668-W675 HydrophobicContact CG-CZ2 4.47Å; Q668-W675 VanDerWaalsContact N-CE3 3.3Å |
| 669 | C | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -75.5 | 128.5 | 171.5 | 164.3 | 0 | 0 | 0 | 0 | 110.9 | E671 C672 Q673 C674 Y692 C694 | C669-E671 PolarHBondContact O-N 2.92Å; C669-E671 VanDerWaalsContact O-N 3.11Å; C669-E671 PolarHBondContact SG-N 3.43Å; C669-E671 VanDerWaalsContact SG-N 3.44Å; C669-C672 WeakPolarHBondContact CB-SG 3.48Å; C669-C672 PolarHBondContact SG-SG 3.24Å; C669-Q673 WeakPolarHBondContact O-CA 3.38Å; C669-Q673 PolarHBondContact O-N 3.5Å; C669-C674 PolarHBondContact N-O 2.89Å; C669-C674 VanDerWaalsContact N-O 3.1Å; C669-Y692 HydrophobicContact CB-CD1 4.07Å; C669-Y692 HydrophobicContact CB-CE1 3.92Å; C669-C694 HydrophobicContact CB-CB 3.77Å; C669-C694 PolarHBondContact SG-N 3.46Å | ||
| 670 | E | 89.2 | Confident | 85.5 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.7 | -177.6 | -69.2 | -177.2 | -176.7 | 0 | 0 | 115 | K691 Y692 | E670-K691 WeakPolarHBondContact OE1-CA 3.49Å; E670-K691 WeakPolarHBondContact OE1-CG 3.48Å; E670-K691 WeakPolarHBondContact OE2-CE 3.46Å; E670-K691 WeakPolarHBondContact OE2-CG 3.35Å; E670-Y692 PolarHBondContact N-O 3.06Å |
| 671 | E | 83.6 | Confident | 86 | Confident | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -41.9 | -170.3 | -44.4 | -147.6 | 152.3 | 0 | 0 | 113.5 | C669 T693 C697 K713 | C669-E671 PolarHBondContact O-N 2.92Å; C669-E671 VanDerWaalsContact O-N 3.11Å; C669-E671 PolarHBondContact SG-N 3.43Å; C669-E671 VanDerWaalsContact SG-N 3.44Å; E671-T693 HydrophobicContact CG-CG2 3.79Å; E671-C697 HydrophobicContact CB-CB 4.11Å; E671-C697 HydrophobicContact CG-CB 4.35Å; E671-K713 IonicContact OE1-NZ 2.7Å; E671-K713 PolarHBondContact OE1-NZ 2.83Å; E671-K713 IonicContact OE2-NZ 3.25Å; E671-K713 PolarHBondContact OE2-NZ 2.86Å |
| 672 | C | 86.5 | Confident | 86.5 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 31% | 0.311 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | C669 C674 C694 | C669-C672 WeakPolarHBondContact CB-SG 3.48Å; C669-C672 PolarHBondContact SG-SG 3.24Å; C672-C674 HydrophobicContact CB-CB 3.92Å; C672-C674 WeakPolarHBondContact CB-SG 3.4Å; C672-C674 PolarHBondContact O-N 3.43Å; C672-C674 WeakPolarHBondContact SG-CB 3.39Å; C672-C674 PolarHBondContact SG-N 2.85Å; C672-C674 CovalentContact SG-SG 2.05Å; C672-C674 PolarHBondContact SG-SG 3.07Å; C672-C694 VanDerWaalsContact SG-SG 3.63Å |
| 673 | Q | 89.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | trans | 53.4 | 11.2 | -162.6 | -57.3 | -161.7 | -99.6 | 0 | 0 | 114.9 | Q668 C669 | Q668-Q673 WeakPolarHBondContact CG-O 2.97Å; C669-Q673 WeakPolarHBondContact O-CA 3.38Å; C669-Q673 PolarHBondContact O-N 3.5Å | ||
| 674 | C | 89.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | trans | -82.8 | 131.2 | -176.2 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | V652 R654 C669 C672 | V652-C674 VanDerWaalsContact O-CA 3.23Å; V652-C674 WeakPolarHBondContact O-CA 3.4Å; V652-C674 VanDerWaalsContact O-CB 3.26Å; V652-C674 WeakPolarHBondContact O-CB 3.47Å; R654-C674 HydrophobicContact CB-CB 4.18Å; C669-C674 PolarHBondContact N-O 2.89Å; C669-C674 VanDerWaalsContact N-O 3.1Å; C672-C674 HydrophobicContact CB-CB 3.92Å; C672-C674 WeakPolarHBondContact CB-SG 3.4Å; C672-C674 PolarHBondContact O-N 3.43Å; C672-C674 WeakPolarHBondContact SG-CB 3.39Å; C672-C674 PolarHBondContact SG-N 2.85Å; C672-C674 CovalentContact SG-SG 2.05Å; C672-C674 PolarHBondContact SG-SG 3.07Å | ||
| 675 | W | 91.4 | Very high | 88.7 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 25% | 0.254 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 145.8 | -179.9 | -72 | 103 | 0 | 0 | 0 | 111.6 | E651 V652 V653 R654 M666 I667 Q668 | E651-W675 PolarHBondContact OE2-NE1 2.96Å; V652-W675 PolarHBondContact O-N 3.46Å; V653-W675 CarbonylContact C-O 3.29Å; V653-W675 VanDerWaalsContact CA-O 3.3Å; V653-W675 WeakPolarHBondContact CA-O 3.49Å; V653-W675 HydrophobicContact CB-CB 4.48Å; V653-W675 HydrophobicContact CG1-CB 4.48Å; V653-W675 WeakPolarHBondContact CG1-O 3.21Å; V653-W675 HydrophobicContact CG2-CB 4.23Å; R654-W675 PolarHBondContact N-O 3.21Å; M666-W675 HydrophobicContact CB-CE3 3.79Å; M666-W675 HydrophobicContact CB-CZ3 4.21Å; M666-W675 HydrophobicContact CE-CB 4.15Å; I667-W675 VanDerWaalsContact C-CE3 3.4Å; Q668-W675 HydrophobicContact CB-CD2 3.8Å; Q668-W675 HydrophobicContact CB-CE3 3.72Å; Q668-W675 HydrophobicContact CB-CH2 3.95Å; Q668-W675 HydrophobicContact CB-CZ2 4.02Å; Q668-W675 HydrophobicContact CB-CZ3 3.8Å; Q668-W675 HydrophobicContact CG-CD2 4.24Å; Q668-W675 HydrophobicContact CG-CZ2 4.47Å; Q668-W675 VanDerWaalsContact N-CE3 3.3Å |
| 676 | Q | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.8 | 178.7 | -58.4 | -171.9 | -22.2 | 0 | 0 | 108.8 | R654 C655 M666 I667 G678 M681 Y692 C694 | R654-Q676 WeakPolarHBondContact O-CG 3.42Å; R654-Q676 PolarHBondContact O-NE2 2.83Å; C655-Q676 HydrophobicContact CB-CB 4.38Å; M666-Q676 CarbonylContact C-O 3.54Å; M666-Q676 WeakPolarHBondContact CA-O 3.46Å; I667-Q676 WeakPolarHBondContact CG2-O 3.46Å; I667-Q676 PolarHBondContact N-O 2.97Å; I667-Q676 PolarHBondContact O-N 3.38Å; Q676-G678 PolarHBondContact O-N 3.4Å; Q676-M681 HydrophobicContact CB-CE 4.39Å; Q676-M681 HydrophobicContact CB-CG 4.06Å; Q676-M681 PolarHBondContact OE1-SD 3.18Å; Q676-Y692 PolarHBondContact OE1-OH 3.01Å; Q676-C694 VanDerWaalsContact CD-CB 3.47Å |
| 677 | H | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128.5 | 174.4 | -46.7 | 117.2 | 0 | 0 | 0 | 109.4 | C655 C657 V659 E661 N663 V679 C680 M681 | C655-H677 PolarHBondContact SG-N 2.85Å; C655-H677 VanDerWaalsContact SG-N 3.4Å; C655-H677 PolarHBondContact SG-ND1 2.96Å; C655-H677 VanDerWaalsContact SG-ND1 3.43Å; C657-H677 VanDerWaalsContact SG-CE1 3.55Å; C657-H677 PolarHBondContact SG-ND1 3.21Å; V659-H677 PolarHBondContact O-CE1 3.35Å; E661-H677 PolarHBondContact O-NE2 3.4Å; N663-H677 HydrophobicContact CB-CB 4.47Å; N663-H677 PolarHBondContact OD1-NE2 3.03Å; H677-V679 VanDerWaalsContact C-N 3.28Å; H677-V679 PolarHBondContact O-N 2.78Å; H677-C680 HydrophobicContact CB-CB 4.18Å; H677-C680 PolarHBondContact O-N 2.66Å; H677-C680 VanDerWaalsContact O-N 3.14Å; H677-M681 PolarHBondContact O-N 3.2Å |
| 678 | G | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F665 Q676 C680 M681 G682 L683 | F665-G678 PolarHBondContact O-N 2.93Å; Q676-G678 PolarHBondContact O-N 3.4Å; G678-C680 VanDerWaalsContact C-N 3.32Å; G678-C680 PolarHBondContact O-N 3.5Å; G678-M681 CarbonylContact O-C 3.57Å; G678-M681 WeakPolarHBondContact O-CA 2.94Å; G678-M681 WeakPolarHBondContact O-CB 2.96Å; G678-M681 PolarHBondContact O-N 2.85Å; G678-G682 PolarHBondContact O-N 3.11Å; G678-L683 CarbonylContact C-O 3.57Å; G678-L683 WeakPolarHBondContact O-CA 2.9Å; G678-L683 PolarHBondContact O-N 3.07Å |
| 679 | V | 89 | Confident | 87.8 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -58.2 | -41.4 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 112 | H677 M681 G682 L683 | H677-V679 VanDerWaalsContact C-N 3.28Å; H677-V679 PolarHBondContact O-N 2.78Å; V679-M681 PolarHBondContact O-N 3.26Å; V679-G682 PolarHBondContact O-N 3.14Å; V679-L683 PolarHBondContact N-O 3.47Å |
| 680 | C | 88.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 28% | 0.284 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -67.5 | -23.2 | 176 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | C655 I656 H677 G678 G682 | C655-C680 WeakPolarHBondContact SG-CB 3.49Å; I656-C680 HydrophobicContact CD1-CB 4.49Å; I656-C680 VanDerWaalsContact CD1-O 3.27Å; I656-C680 WeakPolarHBondContact CD1-O 2.31Å; I656-C680 HydrophobicContact CG1-CB 4.08Å; H677-C680 HydrophobicContact CB-CB 4.18Å; H677-C680 PolarHBondContact O-N 2.66Å; H677-C680 VanDerWaalsContact O-N 3.14Å; G678-C680 VanDerWaalsContact C-N 3.32Å; G678-C680 PolarHBondContact O-N 3.5Å; C680-G682 VanDerWaalsContact C-N 3.32Å |
| 681 | M | 87.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -89.6 | 4.5 | 173.6 | -62 | -61.4 | 119 | 0 | 0 | 113.1 | I656 Q676 H677 G678 V679 L683 Y692 Y695 | I656-M681 HydrophobicContact CB-CE 4.3Å; I656-M681 HydrophobicContact CD1-CE 4.04Å; I656-M681 HydrophobicContact CG1-CE 3.72Å; I656-M681 HydrophobicContact CG2-CE 3.89Å; Q676-M681 HydrophobicContact CB-CE 4.39Å; Q676-M681 HydrophobicContact CB-CG 4.06Å; Q676-M681 PolarHBondContact OE1-SD 3.18Å; H677-M681 PolarHBondContact O-N 3.2Å; G678-M681 CarbonylContact O-C 3.57Å; G678-M681 WeakPolarHBondContact O-CA 2.94Å; G678-M681 WeakPolarHBondContact O-CB 2.96Å; G678-M681 PolarHBondContact O-N 2.85Å; V679-M681 PolarHBondContact O-N 3.26Å; M681-L683 HydrophobicContact CB-CD1 4.35Å; M681-L683 HydrophobicContact CB-CG 4.18Å; M681-L683 PolarHBondContact O-N 3.26Å; M681-Y692 WeakPolarHBondContact CG-OH 3.41Å; M681-Y692 PolarHBondContact SD-OH 3.12Å; M681-Y695 HydrophobicContact CE-CD1 4.25Å; M681-Y695 HydrophobicContact CE-CE1 4.48Å; M681-Y695 HydrophobicContact SD-CD1 4.29Å |
| 682 | G | 86.9 | Confident | 87.5 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 14.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G678 V679 C680 | G678-G682 PolarHBondContact O-N 3.11Å; V679-G682 PolarHBondContact O-N 3.14Å; C680-G682 VanDerWaalsContact C-N 3.32Å |
| 683 | L | 88.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -99 | 143 | 179.6 | -56.8 | -178.7 | 0 | 0 | 0 | 110.8 | F665 I667 G678 V679 M681 P689 Y692 | F665-L683 HydrophobicContact CE1-CB 4.14Å; I667-L683 HydrophobicContact CD1-CD1 3.57Å; I667-L683 HydrophobicContact CG2-CD1 4.42Å; G678-L683 CarbonylContact C-O 3.57Å; G678-L683 WeakPolarHBondContact O-CA 2.9Å; G678-L683 PolarHBondContact O-N 3.07Å; V679-L683 PolarHBondContact N-O 3.47Å; M681-L683 HydrophobicContact CB-CD1 4.35Å; M681-L683 HydrophobicContact CB-CG 4.18Å; M681-L683 PolarHBondContact O-N 3.26Å; L683-P689 HydrophobicContact CD2-CG 4.39Å; L683-Y692 HydrophobicContact CD1-CD2 3.95Å; L683-Y692 HydrophobicContact CD1-CE2 4.02Å | ||
| 684 | L | 86.2 | Confident | 87.5 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | trans | -116.9 | 161.3 | 167.2 | -58.9 | 175.7 | 0 | 0 | 0 | 107.7 | E686 N687 V688 | L684-E686 PolarHBondContact O-N 2.89Å; L684-E686 VanDerWaalsContact O-N 3.16Å; L684-N687 CarbonylContact O-C 3.53Å; L684-N687 PolarHBondContact O-N 3.12Å; L684-V688 WeakPolarHBondContact O-CG2 3.44Å; L684-V688 PolarHBondContact O-N 3Å | ||
| 685 | E | 84.1 | Confident | 87.2 | Confident | 168 Ų | 168 | 68.8 Ų | 68.8 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -53.5 | -35.3 | 178.2 | -169.3 | 178.9 | -176 | 0 | 0 | 112.8 | N687 | E685-N687 VanDerWaalsContact C-N 3.3Å; E685-N687 PolarHBondContact O-N 3.15Å |
| 686 | E | 83.4 | Confident | 86.9 | Confident | 180 Ų | 180 | 67.1 Ų | 67.1 | 84% | 0.841 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.8 | 175.8 | -59.3 | -179.2 | 163.4 | 0 | 0 | 114.7 | L684 | L684-E686 PolarHBondContact O-N 2.89Å; L684-E686 VanDerWaalsContact O-N 3.16Å |
| 687 | N | 85.2 | Confident | 86.4 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -123.6 | 24.6 | -168.2 | -69.3 | -84.2 | 0 | 0 | 0 | 112.8 | L684 E685 P689 | L684-N687 CarbonylContact O-C 3.53Å; L684-N687 PolarHBondContact O-N 3.12Å; E685-N687 VanDerWaalsContact C-N 3.3Å; E685-N687 PolarHBondContact O-N 3.15Å; N687-P689 WeakPolarHBondContact O-CD 3.45Å |
| 688 | V | 88.1 | Confident | 85.9 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | trans | -73.2 | 124 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | F665 I667 L684 | F665-V688 HydrophobicContact CE1-CG2 4.37Å; F665-V688 HydrophobicContact CE2-CG2 4.1Å; F665-V688 HydrophobicContact CZ-CG2 3.49Å; F665-V688 VanDerWaalsContact CZ-CG2 3.49Å; I667-V688 HydrophobicContact CD1-CG1 3.81Å; L684-V688 WeakPolarHBondContact O-CG2 3.44Å; L684-V688 PolarHBondContact O-N 3Å | ||
| 689 | P | 84.9 | Confident | 85.2 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | trans | -66.7 | 143.5 | 172.8 | -18.7 | 32.4 | 0 | 0 | 0 | 111.3 | L683 N687 K691 | L683-P689 HydrophobicContact CD2-CG 4.39Å; N687-P689 WeakPolarHBondContact O-CD 3.45Å; P689-K691 PolarHBondContact O-N 3.34Å | ||
| 690 | E | 83.4 | Confident | 84.6 | Confident | 208 Ų | 208 | 75.6 Ų | 75.6 | 97% | 0.972 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -52.2 | -27.2 | 172.4 | -63.7 | -179.5 | 168.9 | 0 | 0 | 113.3 | ||
| 691 | K | 84.9 | Confident | 83.8 | Confident | 76 Ų | 76 | 79 Ų | 79 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -133.9 | 111.7 | -179.1 | -164.6 | -154.4 | 169.2 | -173.8 | 0 | 110.2 | E670 P689 E714 | E670-K691 WeakPolarHBondContact OE1-CA 3.49Å; E670-K691 WeakPolarHBondContact OE1-CG 3.48Å; E670-K691 WeakPolarHBondContact OE2-CE 3.46Å; E670-K691 WeakPolarHBondContact OE2-CG 3.35Å; P689-K691 PolarHBondContact O-N 3.34Å; K691-E714 WeakPolarHBondContact CD-OE1 3.44Å; K691-E714 IonicContact NZ-OE1 3.62Å; K691-E714 PolarHBondContact NZ-OE1 2.76Å |
| 692 | Y | 89.3 | Confident | 82.9 | Confident | 23 Ų | 23 | 81 Ų | 81 | 9% | 0.09 | 45% | 0.454 | C | S | . | . | trans | -106.2 | 128.5 | 180 | 179.8 | -110 | 0 | 0 | 0 | 113.4 | I667 C669 E670 Q676 M681 L683 C694 | I667-Y692 HydrophobicContact CB-CD1 4.35Å; I667-Y692 HydrophobicContact CD1-CD1 3.79Å; I667-Y692 HydrophobicContact CD1-CD2 3.91Å; I667-Y692 HydrophobicContact CD1-CG 3.46Å; I667-Y692 VanDerWaalsContact CD1-CG 3.46Å; I667-Y692 HydrophobicContact CG1-CD1 3.66Å; I667-Y692 HydrophobicContact CG1-CE1 4.34Å; I667-Y692 HydrophobicContact CG1-CG 3.87Å; I667-Y692 HydrophobicContact CG2-CD1 3.94Å; I667-Y692 HydrophobicContact CG2-CE1 3.71Å; C669-Y692 HydrophobicContact CB-CD1 4.07Å; C669-Y692 HydrophobicContact CB-CE1 3.92Å; E670-Y692 PolarHBondContact N-O 3.06Å; Q676-Y692 PolarHBondContact OE1-OH 3.01Å; M681-Y692 WeakPolarHBondContact CG-OH 3.41Å; M681-Y692 PolarHBondContact SD-OH 3.12Å; L683-Y692 HydrophobicContact CD1-CD2 3.95Å; L683-Y692 HydrophobicContact CD1-CE2 4.02Å; Y692-C694 HydrophobicContact CE1-CB 4.21Å; Y692-C694 WeakPolarHBondContact OH-CA 3.38Å | ||
| 693 | T | 88.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 14% | 0.141 | 44% | 0.441 | C | S | . | . | trans | -127.5 | 133.2 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | E671 Q698 | E671-T693 HydrophobicContact CG-CG2 3.79Å; T693-Q698 PolarHBondContact O-NE2 2.92Å; T693-Q698 WeakPolarHBondContact OG1-CG 3.41Å; T693-Q698 PolarHBondContact OG1-NE2 2.81Å; T693-Q698 VanDerWaalsContact OG1-NE2 3.15Å | ||
| 694 | C | 87.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | trans | -79.4 | 163 | -175 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | C669 C672 Q676 Y692 V696 C697 Q698 | C669-C694 HydrophobicContact CB-CB 3.77Å; C669-C694 PolarHBondContact SG-N 3.46Å; C672-C694 VanDerWaalsContact SG-SG 3.63Å; Q676-C694 VanDerWaalsContact CD-CB 3.47Å; Y692-C694 HydrophobicContact CE1-CB 4.21Å; Y692-C694 WeakPolarHBondContact OH-CA 3.38Å; C694-V696 PolarHBondContact O-N 3.42Å; C694-V696 VanDerWaalsContact O-N 3.11Å; C694-C697 PolarHBondContact O-N 2.99Å; C694-Q698 WeakPolarHBondContact O-CG 3.48Å; C694-Q698 PolarHBondContact O-N 2.8Å | ||
| 695 | Y | 83.6 | Confident | 79.5 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -52.3 | -34 | 177.2 | 77.5 | -79.7 | 0 | 0 | 0 | 113.7 | I656 M681 D699 | I656-Y695 HydrophobicContact CG2-CD1 3.78Å; I656-Y695 HydrophobicContact CG2-CD2 4.39Å; I656-Y695 HydrophobicContact CG2-CE1 3.3Å; I656-Y695 HydrophobicContact CG2-CE2 3.97Å; I656-Y695 HydrophobicContact CG2-CG 4.31Å; I656-Y695 VanDerWaalsContact CG2-CZ 3.4Å; M681-Y695 HydrophobicContact CE-CD1 4.25Å; M681-Y695 HydrophobicContact CE-CE1 4.48Å; M681-Y695 HydrophobicContact SD-CD1 4.29Å; Y695-D699 CarbonylContact O-C 3.11Å; Y695-D699 WeakPolarHBondContact O-CA 3.32Å; Y695-D699 PolarHBondContact O-N 2.62Å |
| 696 | V | 84.1 | Confident | 78.2 | Confident | 32 Ų | 32 | 84.6 Ų | 84.6 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -70.1 | -31.8 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | C694 P700 | C694-V696 PolarHBondContact O-N 3.42Å; C694-V696 VanDerWaalsContact O-N 3.11Å; V696-P700 WeakPolarHBondContact O-CA 3.37Å; V696-P700 VanDerWaalsContact O-CG 3.3Å; V696-P700 WeakPolarHBondContact O-CG 3.48Å |
| 697 | C | 81.6 | Confident | 76.9 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 25% | 0.25 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -85.6 | -34.1 | 178.4 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | E671 C694 | E671-C697 HydrophobicContact CB-CB 4.11Å; E671-C697 HydrophobicContact CG-CB 4.35Å; C694-C697 PolarHBondContact O-N 2.99Å |
| 698 | Q | 79.4 | Confident | 75.4 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.7 | -39.8 | 173.5 | -64.7 | -173.9 | 20 | 0 | 0 | 113.1 | T693 C694 | T693-Q698 PolarHBondContact O-NE2 2.92Å; T693-Q698 WeakPolarHBondContact OG1-CG 3.41Å; T693-Q698 PolarHBondContact OG1-NE2 2.81Å; T693-Q698 VanDerWaalsContact OG1-NE2 3.15Å; C694-Q698 WeakPolarHBondContact O-CG 3.48Å; C694-Q698 PolarHBondContact O-N 2.8Å |
| 699 | D | 75.6 | Confident | 73.8 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -135.1 | 76.8 | -178.3 | -85.3 | -64.8 | 0 | 0 | 0 | 111.1 | Y695 K708 | Y695-D699 CarbonylContact O-C 3.11Å; Y695-D699 WeakPolarHBondContact O-CA 3.32Å; Y695-D699 PolarHBondContact O-N 2.62Å; D699-K708 VanDerWaalsContact OD1-CD 3.26Å; D699-K708 WeakPolarHBondContact OD1-CD 3.42Å; D699-K708 WeakPolarHBondContact OD1-CE 3.39Å; D699-K708 IonicContact OD1-NZ 2.99Å; D699-K708 PolarHBondContact OD1-NZ 3.47Å; D699-K708 IonicContact OD2-NZ 2.65Å; D699-K708 PolarHBondContact OD2-NZ 3.28Å |
| 700 | P | 76.3 | Confident | 72.2 | Confident | 45 Ų | 45 | 89.2 Ų | 89.2 | 29% | 0.292 | 46% | 0.458 | S | S | . | . | trans | -62.7 | 124.6 | -177.8 | -21.5 | 32.2 | 0 | 0 | 0 | 111.9 | V696 G702 Q703 | V696-P700 WeakPolarHBondContact O-CA 3.37Å; V696-P700 VanDerWaalsContact O-CG 3.3Å; V696-P700 WeakPolarHBondContact O-CG 3.48Å; P700-G702 PolarHBondContact O-N 3.49Å; P700-Q703 HydrophobicContact CB-CG 4.19Å; P700-Q703 WeakPolarHBondContact O-CB 3.2Å; P700-Q703 PolarHBondContact O-N 3.02Å; P700-Q703 VanDerWaalsContact O-N 3.14Å | ||
| 701 | P | 70.9 | Confident | 70.8 | Confident | 113 Ų | 113 | 86.3 Ų | 86.3 | 73% | 0.734 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 134.6 | -173.6 | 23.5 | -33.2 | 0 | 0 | 0 | 111.2 | ||
| 702 | G | 69.1 | Low | 69.8 | Low | 84 Ų | 84 | 85.7 Ų | 85.7 | 87% | 0.866 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | -4.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P700 | P700-G702 PolarHBondContact O-N 3.49Š|
| 703 | Q | 70.3 | Confident | 68.6 | Low | 94 Ų | 94 | 89.7 Ų | 89.7 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | trans | -61.5 | 144.3 | 168.8 | -79.8 | -156.7 | 21.9 | 0 | 0 | 112.3 | P700 | P700-Q703 HydrophobicContact CB-CG 4.19Å; P700-Q703 WeakPolarHBondContact O-CB 3.2Å; P700-Q703 PolarHBondContact O-N 3.02Å; P700-Q703 VanDerWaalsContact O-N 3.14Å | ||
| 704 | R | 62.7 | Low | 67.5 | Low | 182 Ų | 182 | 91.4 Ų | 91.4 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | trans | -75.9 | 133.1 | 165.3 | -71.3 | -176.4 | -72.5 | -136.3 | -2.7 | 108.5 | G706 F707 | R704-G706 PolarHBondContact O-N 3.48Å; R704-F707 HydrophobicContact CB-CD2 4.33Å; R704-F707 WeakPolarHBondContact O-CB 3.34Å; R704-F707 PolarHBondContact O-N 3.2Å | ||
| 705 | P | 57.1 | Low | 66.8 | Low | 109 Ų | 109 | 95.8 Ų | 95.8 | 71% | 0.708 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.9 | -174.8 | -31.2 | 36.2 | 0 | 0 | 0 | 116.6 | F707 | P705-F707 VanDerWaalsContact C-N 3.29Å; P705-F707 PolarHBondContact O-N 3.08Å |
| 706 | G | 56.8 | Low | 66.1 | Low | 50 Ų | 50 | 93.1 Ų | 93.1 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R704 W710 | R704-G706 PolarHBondContact O-N 3.48Å; G706-W710 VanDerWaalsContact O-CD1 3.23Å |
| 707 | F | 54.8 | Low | 65.5 | Low | 89 Ų | 89 | 95.1 Ų | 95.1 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -27.8 | 177.5 | -86.1 | -100.7 | 0 | 0 | 0 | 113 | R704 P705 Y709 W710 | R704-F707 HydrophobicContact CB-CD2 4.33Å; R704-F707 WeakPolarHBondContact O-CB 3.34Å; R704-F707 PolarHBondContact O-N 3.2Å; P705-F707 VanDerWaalsContact C-N 3.29Å; P705-F707 PolarHBondContact O-N 3.08Å; F707-Y709 PolarHBondContact O-N 2.91Å; F707-Y709 VanDerWaalsContact O-N 3.12Å; F707-W710 WeakPolarHBondContact O-CB 3.38Å; F707-W710 PolarHBondContact O-N 2.94Å |
| 708 | K | 55.1 | Low | 65.2 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35.9 | 176 | -176.6 | 174.8 | -170.7 | 161.8 | 0 | 113 | D699 | D699-K708 VanDerWaalsContact OD1-CD 3.26Å; D699-K708 WeakPolarHBondContact OD1-CD 3.42Å; D699-K708 WeakPolarHBondContact OD1-CE 3.39Å; D699-K708 IonicContact OD1-NZ 2.99Å; D699-K708 PolarHBondContact OD1-NZ 3.47Å; D699-K708 IonicContact OD2-NZ 2.65Å; D699-K708 PolarHBondContact OD2-NZ 3.28Å |
| 709 | Y | 54.9 | Low | 65.1 | Low | 192 Ų | 192 | 93.3 Ų | 93.3 | 75% | 0.753 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 8.3 | -178.2 | -53.4 | -77.9 | 0 | 0 | 0 | 113.8 | F707 | F707-Y709 PolarHBondContact O-N 2.91Å; F707-Y709 VanDerWaalsContact O-N 3.12Å |
| 710 | W | 50.2 | Low | 65.2 | Low | 136 Ų | 136 | 92.6 Ų | 92.6 | 52% | 0.515 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -23.7 | -179.6 | -109 | 54.7 | 0 | 0 | 0 | 113.5 | G706 F707 A846 | G706-W710 VanDerWaalsContact O-CD1 3.23Å; F707-W710 WeakPolarHBondContact O-CB 3.38Å; F707-W710 PolarHBondContact O-N 2.94Å; W710-A846 HydrophobicContact CZ2-CB 4.15Å |
| 711 | Y | 54.7 | Low | 65 | Low | 147 Ų | 147 | 93 Ų | 93 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | trans | -134.1 | 85.7 | -176.5 | -63.8 | -80.1 | 0 | 0 | 0 | 110.4 | K713 | Y711-K713 PolarHBondContact O-N 3.46Š| ||
| 712 | D | 62.6 | Low | 64.9 | Low | 62 Ų | 62 | 95.2 Ų | 95.2 | 33% | 0.332 | 46% | 0.463 | S | S | . | . | trans | -70.3 | 85.7 | 159.3 | -173.6 | -19.5 | 0 | 0 | 0 | 107.8 | E714 W715 L716 H722 | D712-E714 PolarHBondContact O-N 3.11Å; D712-E714 PolarHBondContact OD1-N 3.17Å; D712-E714 VanDerWaalsContact OD1-N 3.14Å; D712-W715 HydrophobicContact CB-CB 3.96Å; D712-W715 HydrophobicContact CB-CE3 4.41Å; D712-W715 VanDerWaalsContact CG-CB 3.49Å; D712-W715 PolarHBondContact O-N 3.08Å; D712-W715 PolarHBondContact OD1-N 3.45Å; D712-L716 WeakPolarHBondContact O-CG 3.48Å; D712-L716 PolarHBondContact O-N 2.84Å; D712-H722 IonicContact OD2-ND1 2.79Å | ||
| 713 | K | 64.1 | Low | 64.8 | Low | 107 Ų | 107 | 93.2 Ų | 93.2 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -54.4 | -35.7 | 178.7 | -173.3 | -175.1 | -176 | -170 | 0 | 111 | E671 Y711 L716 S717 | E671-K713 IonicContact OE1-NZ 2.7Å; E671-K713 PolarHBondContact OE1-NZ 2.83Å; E671-K713 IonicContact OE2-NZ 3.25Å; E671-K713 PolarHBondContact OE2-NZ 2.86Å; Y711-K713 PolarHBondContact O-N 3.46Å; K713-L716 PolarHBondContact O-N 2.89Å; K713-S717 WeakPolarHBondContact O-CB 3.34Å; K713-S717 PolarHBondContact O-N 2.91Å; K713-S717 PolarHBondContact O-OG 3.17Å; K713-S717 VanDerWaalsContact O-OG 3.13Å |
| 714 | E | 66.1 | Low | 65.1 | Low | 60 Ų | 60 | 93.6 Ų | 93.6 | 28% | 0.28 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.6 | -37.3 | -177 | -48 | -146.9 | 128.9 | 0 | 0 | 112.7 | K691 D712 R718 | K691-E714 WeakPolarHBondContact CD-OE1 3.44Å; K691-E714 IonicContact NZ-OE1 3.62Å; K691-E714 PolarHBondContact NZ-OE1 2.76Å; D712-E714 PolarHBondContact O-N 3.11Å; D712-E714 PolarHBondContact OD1-N 3.17Å; D712-E714 VanDerWaalsContact OD1-N 3.14Å; E714-R718 VanDerWaalsContact CB-NH2 3.28Å; E714-R718 VanDerWaalsContact O-CB 3.24Å; E714-R718 WeakPolarHBondContact O-CB 3.44Å; E714-R718 WeakPolarHBondContact O-CG 3.49Å; E714-R718 PolarHBondContact O-N 2.86Å; E714-R718 IonicContact OE1-NH1 3.91Å; E714-R718 IonicContact OE2-CZ 3.83Å; E714-R718 IonicContact OE2-NH1 3.49Å; E714-R718 PolarHBondContact OE2-NH1 3.3Å; E714-R718 IonicContact OE2-NH2 3.03Å; E714-R718 PolarHBondContact OE2-NH2 3.45Å |
| 715 | W | 72.3 | Confident | 65.1 | Low | 92 Ų | 92 | 90.4 Ų | 90.4 | 35% | 0.348 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 168.9 | 170.4 | 28.1 | 0 | 0 | 0 | 110.7 | D712 S717 R718 G719 M721 | D712-W715 HydrophobicContact CB-CB 3.96Å; D712-W715 HydrophobicContact CB-CE3 4.41Å; D712-W715 VanDerWaalsContact CG-CB 3.49Å; D712-W715 PolarHBondContact O-N 3.08Å; D712-W715 PolarHBondContact OD1-N 3.45Å; W715-S717 VanDerWaalsContact C-N 3.33Å; W715-S717 PolarHBondContact O-N 2.94Å; W715-R718 PolarHBondContact O-N 3.31Å; W715-G719 WeakPolarHBondContact O-CA 3.43Å; W715-G719 PolarHBondContact O-N 3.39Å; W715-M721 HydrophobicContact CD2-CG 3.83Å; W715-M721 HydrophobicContact CG-CG 4.04Å; W715-M721 HydrophobicContact CH2-SD 4.49Å; W715-M721 HydrophobicContact CZ2-CG 3.75Å; W715-M721 HydrophobicContact CZ2-SD 3.82Å |
| 716 | L | 70.1 | Confident | 65.8 | Low | 43 Ų | 43 | 92.9 Ų | 92.9 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.9 | -30.5 | -178.2 | -66.6 | 177.4 | 0 | 0 | 0 | 113.4 | D712 K713 H743 | D712-L716 WeakPolarHBondContact O-CG 3.48Å; D712-L716 PolarHBondContact O-N 2.84Å; K713-L716 PolarHBondContact O-N 2.89Å; L716-H743 PolarHBondContact O-ND1 3.07Å; L716-H743 VanDerWaalsContact O-ND1 3.15Å |
| 717 | S | 70.7 | Confident | 66.7 | Low | 73 Ų | 73 | 94.7 Ų | 94.7 | 51% | 0.51 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -82.8 | -35.3 | 174.6 | -66 | 0 | 0 | 0 | 0 | 114.4 | K713 W715 | K713-S717 WeakPolarHBondContact O-CB 3.34Å; K713-S717 PolarHBondContact O-N 2.91Å; K713-S717 PolarHBondContact O-OG 3.17Å; K713-S717 VanDerWaalsContact O-OG 3.13Å; W715-S717 VanDerWaalsContact C-N 3.33Å; W715-S717 PolarHBondContact O-N 2.94Å |
| 718 | R | 75.8 | Confident | 67.3 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -99 | -15.8 | -176.5 | -58.7 | -171.2 | -63.8 | -130.1 | -3 | 114.1 | E714 W715 H720 V740 | E714-R718 VanDerWaalsContact CB-NH2 3.28Å; E714-R718 VanDerWaalsContact O-CB 3.24Å; E714-R718 WeakPolarHBondContact O-CB 3.44Å; E714-R718 WeakPolarHBondContact O-CG 3.49Å; E714-R718 PolarHBondContact O-N 2.86Å; E714-R718 IonicContact OE1-NH1 3.91Å; E714-R718 IonicContact OE2-CZ 3.83Å; E714-R718 IonicContact OE2-NH1 3.49Å; E714-R718 PolarHBondContact OE2-NH1 3.3Å; E714-R718 IonicContact OE2-NH2 3.03Å; E714-R718 PolarHBondContact OE2-NH2 3.45Å; W715-R718 PolarHBondContact O-N 3.31Å; R718-H720 HydrophobicContact CB-CB 4.47Å; R718-H720 PolarHBondContact O-N 2.85Å; R718-V740 VanDerWaalsContact C-CG2 3.45Å |
| 719 | G | 77.1 | Confident | 68.3 | Low | 0 Ų | 0 | 102.9 Ų | 102.9 | 0% | 0 | 50% | 0.498 | C | S | . | . | trans | 75 | -21.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | W715 M721 I739 | W715-G719 WeakPolarHBondContact O-CA 3.43Å; W715-G719 PolarHBondContact O-N 3.39Å; G719-M721 PolarHBondContact O-N 3.34Å; G719-I739 WeakPolarHBondContact O-CD1 3.43Å | ||
| 720 | H | 77.9 | Confident | 69.2 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | trans | -74.6 | 108.3 | -179.9 | -59.9 | -44.4 | 0 | 0 | 0 | 112.6 | R718 S732 H733 A736 | R718-H720 HydrophobicContact CB-CB 4.47Å; R718-H720 PolarHBondContact O-N 2.85Å; H720-S732 PolarHBondContact ND1-O 2.77Å; H720-H733 AromaticContact CE1-CG 3.82Å; H720-H733 AromaticContact CE1-ND1 3.81Å; H720-H733 AromaticContact ND1-CD2 3.64Å; H720-H733 AromaticContact ND1-CG 3.59Å; H720-H733 AromaticContact ND1-ND1 3.86Å; H720-H733 AromaticContact ND1-NE2 3.98Å; H720-A736 WeakPolarHBondContact CE1-CB 3.22Å; H720-A736 WeakPolarHBondContact ND1-CB 3.46Å | ||
| 721 | M | 72.6 | Confident | 70.3 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 26% | 0.256 | 47% | 0.47 | S | S | . | . | trans | -73 | 142.4 | 158.4 | -59.2 | 168.6 | 58 | 0 | 0 | 109.9 | W715 G719 G723 S732 Y841 | W715-M721 HydrophobicContact CD2-CG 3.83Å; W715-M721 HydrophobicContact CG-CG 4.04Å; W715-M721 HydrophobicContact CH2-SD 4.49Å; W715-M721 HydrophobicContact CZ2-CG 3.75Å; W715-M721 HydrophobicContact CZ2-SD 3.82Å; G719-M721 PolarHBondContact O-N 3.34Å; M721-G723 PolarHBondContact O-N 2.94Å; M721-S732 PolarHBondContact N-OG 2.64Å; M721-S732 PolarHBondContact O-OG 3.19Å; M721-Y841 HydrophobicContact CE-CE1 4.46Å | ||
| 722 | H | 68 | Low | 71.1 | Confident | 161 Ų | 161 | 88.3 Ų | 88.3 | 75% | 0.745 | 44% | 0.444 | S | S | * | . | trans | -51.1 | 120.6 | 166.2 | -68.6 | 91.8 | 0 | 0 | 0 | 111.2 | D712 | D712-H722 IonicContact OD2-ND1 2.79Š| ||
| 723 | G | 68.1 | Low | 71.9 | Confident | 42 Ų | 42 | 90.3 Ų | 90.3 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | trans | -119 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M721 | M721-G723 PolarHBondContact O-N 2.94Š| ||
| 724 | L | 75 | Confident | 72.5 | Confident | 102 Ų | 102 | 90.4 Ų | 90.4 | 53% | 0.534 | 45% | 0.453 | S | S | . | . | trans | -85.1 | 116.7 | 178.3 | -57 | 178 | 0 | 0 | 0 | 109.4 | F726 L727 | L724-F726 HydrophobicContact CB-CD1 4.06Å; L724-F726 HydrophobicContact CB-CE1 3.69Å; L724-F726 HydrophobicContact CB-CE2 4.49Å; L724-F726 HydrophobicContact CB-CZ 3.94Å; L724-F726 HydrophobicContact CD1-CE1 3.89Å; L724-F726 HydrophobicContact CD1-CE2 4.46Å; L724-F726 HydrophobicContact CD1-CZ 3.58Å; L724-F726 HydrophobicContact CG-CE1 4.26Å; L724-F726 HydrophobicContact CG-CZ 4.35Å; L724-F726 PolarHBondContact O-N 3.3Å; L724-L727 HydrophobicContact CB-CD1 4.15Å; L724-L727 HydrophobicContact CB-CG 4.29Å; L724-L727 WeakPolarHBondContact O-CB 3.42Å; L724-L727 PolarHBondContact O-N 3.49Å | ||
| 725 | A | 62.8 | Low | 73 | Confident | 114 Ų | 114 | 89 Ų | 89 | 94% | 0.942 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -3.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 726 | F | 72.3 | Confident | 73.5 | Confident | 162 Ų | 162 | 85 Ų | 85 | 71% | 0.711 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.6 | 172.2 | 65.4 | -103.4 | 0 | 0 | 0 | 113.7 | L724 | L724-F726 HydrophobicContact CB-CD1 4.06Å; L724-F726 HydrophobicContact CB-CE1 3.69Å; L724-F726 HydrophobicContact CB-CE2 4.49Å; L724-F726 HydrophobicContact CB-CZ 3.94Å; L724-F726 HydrophobicContact CD1-CE1 3.89Å; L724-F726 HydrophobicContact CD1-CE2 4.46Å; L724-F726 HydrophobicContact CD1-CZ 3.58Å; L724-F726 HydrophobicContact CG-CE1 4.26Å; L724-F726 HydrophobicContact CG-CZ 4.35Å; L724-F726 PolarHBondContact O-N 3.3Å |
| 727 | L | 76.4 | Confident | 74 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | trans | -91.2 | 106.6 | 173.7 | -65.5 | 175.7 | 0 | 0 | 0 | 109.3 | L724 E729 | L724-L727 HydrophobicContact CB-CD1 4.15Å; L724-L727 HydrophobicContact CB-CG 4.29Å; L724-L727 WeakPolarHBondContact O-CB 3.42Å; L724-L727 PolarHBondContact O-N 3.49Å; L727-E729 PolarHBondContact O-N 2.97Å | ||
| 728 | E | 66.4 | Low | 74.4 | Confident | 204 Ų | 204 | 91.1 Ų | 91.1 | 95% | 0.953 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -58.7 | -35.1 | 175.7 | -167.4 | 164.7 | -154.8 | 0 | 0 | 111.5 | ||
| 729 | E | 75.9 | Confident | 74.7 | Confident | 146 Ų | 146 | 87.5 Ų | 87.5 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -106.2 | 94.1 | 169.1 | -71.6 | -169.6 | -157 | 0 | 0 | 111.6 | L727 Q734 | L727-E729 PolarHBondContact O-N 2.97Å; E729-Q734 VanDerWaalsContact CD-NE2 3.31Å; E729-Q734 PolarHBondContact OE2-NE2 2.9Å |
| 730 | N | 74.3 | Confident | 75 | Confident | 30 Ų | 30 | 89.6 Ų | 89.6 | 16% | 0.16 | 45% | 0.451 | C | S | . | . | trans | -85.3 | 117.1 | 168.9 | -175.8 | -0.7 | 0 | 0 | 0 | 110.6 | S732 H733 Q734 | N730-S732 PolarHBondContact ND2-OG 2.66Å; N730-S732 VanDerWaalsContact ND2-OG 3.14Å; N730-S732 PolarHBondContact O-N 3.38Å; N730-S732 VanDerWaalsContact O-N 3.1Å; N730-S732 PolarHBondContact OD1-N 2.92Å; N730-S732 VanDerWaalsContact OD1-N 3.14Å; N730-S732 PolarHBondContact OD1-OG 2.8Å; N730-H733 HydrophobicContact CB-CB 4.38Å; N730-H733 PolarHBondContact ND2-CD2 2.61Å; N730-H733 PolarHBondContact ND2-NE2 2.83Å; N730-H733 PolarHBondContact O-N 3.2Å; N730-Q734 PolarHBondContact O-N 3.41Å | ||
| 731 | Y | 72.8 | Confident | 75.2 | Confident | 135 Ų | 135 | 87.4 Ų | 87.4 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -49.3 | -37.3 | 176.8 | 177.3 | -90 | 0 | 0 | 0 | 113.2 | H733 N735 | Y731-H733 VanDerWaalsContact C-N 3.29Å; Y731-H733 PolarHBondContact O-N 3Å; Y731-N735 WeakPolarHBondContact CD2-ND2 3.3Å; Y731-N735 HydrophobicContact CE1-CB 4.32Å; Y731-N735 VanDerWaalsContact CE2-ND2 3.26Å; Y731-N735 WeakPolarHBondContact CE2-ND2 3.17Å; Y731-N735 WeakPolarHBondContact O-CB 3.4Å; Y731-N735 PolarHBondContact O-N 2.91Å; Y731-N735 PolarHBondContact O-ND2 3.32Å |
| 732 | S | 72 | Confident | 75.7 | Confident | 3 Ų | 3 | 88.4 Ų | 88.4 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.2 | -15.7 | -179.8 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | H720 M721 N730 A736 | H720-S732 PolarHBondContact ND1-O 2.77Å; M721-S732 PolarHBondContact N-OG 2.64Å; M721-S732 PolarHBondContact O-OG 3.19Å; N730-S732 PolarHBondContact ND2-OG 2.66Å; N730-S732 VanDerWaalsContact ND2-OG 3.14Å; N730-S732 PolarHBondContact O-N 3.38Å; N730-S732 VanDerWaalsContact O-N 3.1Å; N730-S732 PolarHBondContact OD1-N 2.92Å; N730-S732 VanDerWaalsContact OD1-N 3.14Å; N730-S732 PolarHBondContact OD1-OG 2.8Å; S732-A736 WeakPolarHBondContact O-CA 3.26Å; S732-A736 WeakPolarHBondContact O-CB 3.39Å; S732-A736 PolarHBondContact O-N 3.24Å |
| 733 | H | 78.6 | Confident | 76.4 | Confident | 104 Ų | 104 | 84.1 Ų | 84.1 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -85.9 | -46.1 | 171.8 | -72.5 | -126.7 | 0 | 0 | 0 | 110.4 | H720 N730 Y731 N735 A736 | H720-H733 AromaticContact CE1-CG 3.82Å; H720-H733 AromaticContact CE1-ND1 3.81Å; H720-H733 AromaticContact ND1-CD2 3.64Å; H720-H733 AromaticContact ND1-CG 3.59Å; H720-H733 AromaticContact ND1-ND1 3.86Å; H720-H733 AromaticContact ND1-NE2 3.98Å; N730-H733 HydrophobicContact CB-CB 4.38Å; N730-H733 PolarHBondContact ND2-CD2 2.61Å; N730-H733 PolarHBondContact ND2-NE2 2.83Å; N730-H733 PolarHBondContact O-N 3.2Å; Y731-H733 VanDerWaalsContact C-N 3.29Å; Y731-H733 PolarHBondContact O-N 3Å; H733-N735 VanDerWaalsContact C-N 3.28Å; H733-N735 PolarHBondContact O-N 3.11Å; H733-A736 WeakPolarHBondContact O-CB 3.32Å; H733-A736 PolarHBondContact O-N 3.09Å |
| 734 | Q | 77.1 | Confident | 77.2 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 174.1 | -68.1 | 176.2 | -19.9 | 0 | 0 | 112.3 | E729 N730 | E729-Q734 VanDerWaalsContact CD-NE2 3.31Å; E729-Q734 PolarHBondContact OE2-NE2 2.9Å; N730-Q734 PolarHBondContact O-N 3.41Å |
| 735 | N | 77.1 | Confident | 77.7 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 17% | 0.166 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 5.6 | -176.7 | -65.8 | -84.7 | 0 | 0 | 0 | 114.3 | Y731 H733 K737 K738 I739 | Y731-N735 WeakPolarHBondContact CD2-ND2 3.3Å; Y731-N735 HydrophobicContact CE1-CB 4.32Å; Y731-N735 VanDerWaalsContact CE2-ND2 3.26Å; Y731-N735 WeakPolarHBondContact CE2-ND2 3.17Å; Y731-N735 WeakPolarHBondContact O-CB 3.4Å; Y731-N735 PolarHBondContact O-N 2.91Å; Y731-N735 PolarHBondContact O-ND2 3.32Å; H733-N735 VanDerWaalsContact C-N 3.28Å; H733-N735 PolarHBondContact O-N 3.11Å; N735-K737 VanDerWaalsContact C-N 3.31Å; N735-K737 PolarHBondContact O-N 2.73Å; N735-K738 WeakPolarHBondContact O-CA 3.47Å; N735-K738 WeakPolarHBondContact O-CB 3.47Å; N735-K738 PolarHBondContact O-N 3.32Å; N735-I739 HydrophobicContact CB-CD1 4.37Å; N735-I739 WeakPolarHBondContact O-CG1 3.42Å; N735-I739 PolarHBondContact O-N 2.96Å |
| 736 | A | 82.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 82.2 Ų | 82.2 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -51.8 | -47.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H720 S732 H733 K738 I739 V740 | H720-A736 WeakPolarHBondContact CE1-CB 3.22Å; H720-A736 WeakPolarHBondContact ND1-CB 3.46Å; S732-A736 WeakPolarHBondContact O-CA 3.26Å; S732-A736 WeakPolarHBondContact O-CB 3.39Å; S732-A736 PolarHBondContact O-N 3.24Å; H733-A736 WeakPolarHBondContact O-CB 3.32Å; H733-A736 PolarHBondContact O-N 3.09Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 2.89Å; A736-I739 PolarHBondContact O-N 3.25Å; A736-I739 VanDerWaalsContact O-N 3.17Å; A736-V740 WeakPolarHBondContact O-CG2 3.48Å; A736-V740 PolarHBondContact O-N 3.01Å |
| 737 | K | 81.3 | Confident | 79.4 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 70% | 0.704 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 178 | -62.3 | -177 | 179.9 | -178.5 | 0 | 112.3 | N735 A741 W970 | N735-K737 VanDerWaalsContact C-N 3.31Å; N735-K737 PolarHBondContact O-N 2.73Å; K737-A741 WeakPolarHBondContact O-CB 3.3Å; K737-A741 PolarHBondContact O-N 3.39Å; K737-W970 HydrophobicContact CB-CH2 3.94Å; K737-W970 HydrophobicContact CB-CZ2 4.45Å; K737-W970 HydrophobicContact CB-CZ3 4.4Å; K737-W970 WeakPolarHBondContact O-CZ3 3.2Å |
| 738 | K | 79.3 | Confident | 79.7 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.9 | -53 | -158 | -178.4 | -165.1 | 0 | 111.1 | N735 A736 T742 W970 | N735-K738 WeakPolarHBondContact O-CA 3.47Å; N735-K738 WeakPolarHBondContact O-CB 3.47Å; N735-K738 PolarHBondContact O-N 3.32Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 2.89Å; K738-T742 WeakPolarHBondContact O-CB 3.31Å; K738-T742 PolarHBondContact O-N 2.98Å; K738-T742 VanDerWaalsContact O-N 3.09Å; K738-T742 PolarHBondContact O-OG1 3.49Å; K738-W970 HydrophobicContact CB-CE3 4.33Å; K738-W970 HydrophobicContact CB-CZ3 4.48Å; K738-W970 HydrophobicContact CD-CB 4.5Å; K738-W970 HydrophobicContact CG-CD2 4.49Å; K738-W970 HydrophobicContact CG-CE3 3.79Å; K738-W970 HydrophobicContact CG-CZ3 4.26Å; K738-W970 PolarHBondContact NZ-O 2.99Å |
| 739 | I | 80.8 | Confident | 80.6 | Confident | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.7 | -50.4 | 178.1 | -65.5 | 165.4 | 0 | 0 | 0 | 111.2 | G719 N735 A736 T742 H743 | G719-I739 WeakPolarHBondContact O-CD1 3.43Å; N735-I739 HydrophobicContact CB-CD1 4.37Å; N735-I739 WeakPolarHBondContact O-CG1 3.42Å; N735-I739 PolarHBondContact O-N 2.96Å; A736-I739 PolarHBondContact O-N 3.25Å; A736-I739 VanDerWaalsContact O-N 3.17Å; I739-T742 PolarHBondContact O-N 3.31Å; I739-H743 WeakPolarHBondContact O-CB 3.4Å; I739-H743 PolarHBondContact O-N 3.47Å |
| 740 | V | 83.5 | Confident | 81 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | R718 A736 T742 H743 Q744 | R718-V740 VanDerWaalsContact C-CG2 3.45Å; A736-V740 WeakPolarHBondContact O-CG2 3.48Å; A736-V740 PolarHBondContact O-N 3.01Å; V740-T742 VanDerWaalsContact C-N 3.33Å; V740-T742 PolarHBondContact O-N 3.45Å; V740-H743 PolarHBondContact O-N 2.84Å; V740-Q744 WeakPolarHBondContact O-CB 3.3Å; V740-Q744 PolarHBondContact O-N 2.99Å |
| 741 | A | 82.8 | Confident | 81.4 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K737 Q744 L745 L967 W970 | K737-A741 WeakPolarHBondContact O-CB 3.3Å; K737-A741 PolarHBondContact O-N 3.39Å; A741-Q744 PolarHBondContact O-N 3.31Å; A741-L745 VanDerWaalsContact O-CB 3.27Å; A741-L745 WeakPolarHBondContact O-CB 3.45Å; A741-L745 PolarHBondContact O-N 3.04Å; A741-L967 HydrophobicContact CB-CD2 3.87Å; A741-L967 HydrophobicContact CB-CG 4.31Å; A741-W970 HydrophobicContact CB-CH2 4.11Å; A741-W970 HydrophobicContact CB-CZ3 3.73Å |
| 742 | T | 82.8 | Confident | 82 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | K738 I739 V740 L746 | K738-T742 WeakPolarHBondContact O-CB 3.31Å; K738-T742 PolarHBondContact O-N 2.98Å; K738-T742 VanDerWaalsContact O-N 3.09Å; K738-T742 PolarHBondContact O-OG1 3.49Å; I739-T742 PolarHBondContact O-N 3.31Å; V740-T742 VanDerWaalsContact C-N 3.33Å; V740-T742 PolarHBondContact O-N 3.45Å; T742-L746 WeakPolarHBondContact O-CB 3.44Å; T742-L746 PolarHBondContact O-N 3.42Å |
| 743 | H | 83 | Confident | 82.7 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 32% | 0.324 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 175.3 | 173.5 | -113.9 | 0 | 0 | 0 | 112.1 | L716 I739 V740 L746 G747 | L716-H743 PolarHBondContact O-ND1 3.07Å; L716-H743 VanDerWaalsContact O-ND1 3.15Å; I739-H743 WeakPolarHBondContact O-CB 3.4Å; I739-H743 PolarHBondContact O-N 3.47Å; V740-H743 PolarHBondContact O-N 2.84Å; H743-L746 PolarHBondContact O-N 2.99Å; H743-G747 PolarHBondContact O-N 3.01Å |
| 744 | Q | 84.8 | Confident | 83 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -51.7 | 176.5 | -170.9 | 62.7 | 52.5 | 0 | 0 | 110.9 | V740 A741 L746 G747 D748 | V740-Q744 WeakPolarHBondContact O-CB 3.3Å; V740-Q744 PolarHBondContact O-N 2.99Å; A741-Q744 PolarHBondContact O-N 3.31Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.27Å; Q744-G747 CarbonylContact O-C 3.49Å; Q744-G747 WeakPolarHBondContact O-CA 3.48Å; Q744-G747 PolarHBondContact O-N 3.4Å; Q744-D748 PolarHBondContact NE2-OD1 2.86Å; Q744-D748 PolarHBondContact O-N 3.02Å |
| 745 | L | 85.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -52.7 | -45.6 | 175.5 | 171.6 | 64.4 | 0 | 0 | 0 | 112.3 | A741 G747 D748 V749 I960 E963 L964 L967 | A741-L745 VanDerWaalsContact O-CB 3.27Å; A741-L745 WeakPolarHBondContact O-CB 3.45Å; A741-L745 PolarHBondContact O-N 3.04Å; L745-G747 VanDerWaalsContact C-N 3.33Å; L745-G747 PolarHBondContact O-N 3.23Å; L745-D748 PolarHBondContact O-N 3.12Å; L745-V749 HydrophobicContact CD1-CG2 4.16Å; L745-V749 WeakPolarHBondContact O-CB 3.48Å; L745-V749 VanDerWaalsContact O-CG2 3.3Å; L745-V749 WeakPolarHBondContact O-CG2 3.33Å; L745-V749 PolarHBondContact O-N 3.37Å; L745-I960 HydrophobicContact CD1-CB 4.49Å; L745-I960 HydrophobicContact CD1-CG2 3.64Å; L745-E963 WeakPolarHBondContact CA-OE2 3.34Å; L745-E963 PolarHBondContact N-OE2 2.9Å; L745-L964 HydrophobicContact CD1-CD2 4.27Å; L745-L964 HydrophobicContact CD1-CG 4.13Å; L745-L964 HydrophobicContact CD2-CD2 3.67Å; L745-L964 HydrophobicContact CD2-CG 4.37Å; L745-L967 HydrophobicContact CB-CD1 4.46Å; L745-L967 HydrophobicContact CD2-CD1 3.56Å |
| 746 | L | 85.3 | Confident | 83.8 | Confident | 120 Ų | 120 | 60.2 Ų | 60.2 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 177.2 | 179.7 | 62.3 | 0 | 0 | 0 | 111.6 | T742 H743 Q744 Q750 | T742-L746 WeakPolarHBondContact O-CB 3.44Å; T742-L746 PolarHBondContact O-N 3.42Å; H743-L746 PolarHBondContact O-N 2.99Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 3.27Å; L746-Q750 WeakPolarHBondContact O-CB 3.47Å; L746-Q750 PolarHBondContact O-N 3.19Å |
| 747 | G | 84.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H743 Q744 L745 Q750 R751 | H743-G747 PolarHBondContact O-N 3.01Å; Q744-G747 CarbonylContact O-C 3.49Å; Q744-G747 WeakPolarHBondContact O-CA 3.48Å; Q744-G747 PolarHBondContact O-N 3.4Å; L745-G747 VanDerWaalsContact C-N 3.33Å; L745-G747 PolarHBondContact O-N 3.23Å; G747-Q750 PolarHBondContact O-N 2.96Å; G747-R751 WeakPolarHBondContact O-CG 3.47Å; G747-R751 PolarHBondContact O-N 2.89Å; G747-R751 PolarHBondContact O-NH1 3.47Å |
| 748 | D | 83.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 178.2 | -84.5 | 68.3 | 0 | 0 | 0 | 111.6 | Q744 L745 Q750 R751 V752 R956 I960 | Q744-D748 PolarHBondContact NE2-OD1 2.86Å; Q744-D748 PolarHBondContact O-N 3.02Å; L745-D748 PolarHBondContact O-N 3.12Å; D748-Q750 VanDerWaalsContact C-N 3.34Å; D748-Q750 PolarHBondContact O-N 2.88Å; D748-R751 PolarHBondContact O-N 2.72Å; D748-R751 IonicContact OD1-CZ 2.82Å; D748-R751 IonicContact OD1-NH1 3.51Å; D748-R751 PolarHBondContact OD1-NH1 2.87Å; D748-R751 IonicContact OD1-NH2 3.83Å; D748-R751 PolarHBondContact OD1-NH2 3.41Å; D748-R751 IonicContact OD2-CZ 3.41Å; D748-R751 IonicContact OD2-NH2 3.27Å; D748-R751 PolarHBondContact OD2-NH2 2.98Å; D748-V752 WeakPolarHBondContact O-CG2 3.31Å; D748-V752 PolarHBondContact O-N 3.31Å; D748-R956 WeakPolarHBondContact OD2-CD 3.28Å; D748-R956 IonicContact OD2-CZ 3.94Å; D748-R956 IonicContact OD2-NE 2.94Å; D748-R956 IonicContact OD2-NH1 3.16Å; D748-R956 PolarHBondContact OD2-NH1 3.1Å; D748-I960 HydrophobicContact CB-CD1 4Å; D748-I960 HydrophobicContact CB-CG1 3.74Å |
| 749 | V | 85.8 | Confident | 84.6 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 171.3 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L745 V752 I753 I960 | L745-V749 HydrophobicContact CD1-CG2 4.16Å; L745-V749 WeakPolarHBondContact O-CB 3.48Å; L745-V749 VanDerWaalsContact O-CG2 3.3Å; L745-V749 WeakPolarHBondContact O-CG2 3.33Å; L745-V749 PolarHBondContact O-N 3.37Å; V749-V752 PolarHBondContact O-N 3.04Å; V749-I753 HydrophobicContact CG1-CD1 4.21Å; V749-I753 WeakPolarHBondContact O-CG1 3.45Å; V749-I753 PolarHBondContact O-N 3.34Å; V749-I753 VanDerWaalsContact O-N 3.08Å; V749-I960 HydrophobicContact CG2-CD1 4.13Å; V749-I960 HydrophobicContact CG2-CG2 4.36Å |
| 750 | Q | 83.9 | Confident | 84.8 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.6 | 178 | 58.8 | 27.5 | 0 | 0 | 112.1 | L746 G747 D748 V752 I753 E754 | L746-Q750 WeakPolarHBondContact O-CB 3.47Å; L746-Q750 PolarHBondContact O-N 3.19Å; G747-Q750 PolarHBondContact O-N 2.96Å; D748-Q750 VanDerWaalsContact C-N 3.34Å; D748-Q750 PolarHBondContact O-N 2.88Å; Q750-V752 PolarHBondContact O-N 3.38Å; Q750-I753 WeakPolarHBondContact O-CB 3.41Å; Q750-I753 PolarHBondContact O-N 3.29Å; Q750-E754 PolarHBondContact NE2-OE1 3.25Å; Q750-E754 WeakPolarHBondContact O-CG 3.18Å; Q750-E754 PolarHBondContact O-N 2.91Å |
| 751 | R | 83.1 | Confident | 85 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 175.9 | -70.8 | -167.6 | -53.1 | -79.4 | 17.7 | 112.4 | G747 D748 I753 E754 V755 | G747-R751 WeakPolarHBondContact O-CG 3.47Å; G747-R751 PolarHBondContact O-N 2.89Å; G747-R751 PolarHBondContact O-NH1 3.47Å; D748-R751 PolarHBondContact O-N 2.72Å; D748-R751 IonicContact OD1-CZ 2.82Å; D748-R751 IonicContact OD1-NH1 3.51Å; D748-R751 PolarHBondContact OD1-NH1 2.87Å; D748-R751 IonicContact OD1-NH2 3.83Å; D748-R751 PolarHBondContact OD1-NH2 3.41Å; D748-R751 IonicContact OD2-CZ 3.41Å; D748-R751 IonicContact OD2-NH2 3.27Å; D748-R751 PolarHBondContact OD2-NH2 2.98Å; R751-I753 VanDerWaalsContact C-N 3.34Å; R751-I753 PolarHBondContact O-N 2.81Å; R751-E754 PolarHBondContact O-N 2.99Å; R751-V755 WeakPolarHBondContact O-CG2 3.3Å; R751-V755 PolarHBondContact O-N 2.87Å |
| 752 | V | 85.7 | Confident | 85.2 | Confident | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -41 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | D748 V749 Q750 E754 V755 L756 V953 R956 M957 I960 | D748-V752 WeakPolarHBondContact O-CG2 3.31Å; D748-V752 PolarHBondContact O-N 3.31Å; V749-V752 PolarHBondContact O-N 3.04Å; Q750-V752 PolarHBondContact O-N 3.38Å; V752-E754 PolarHBondContact O-N 3.25Å; V752-V755 PolarHBondContact O-N 3.3Å; V752-L756 HydrophobicContact CG1-CD1 3.81Å; V752-L756 HydrophobicContact CG1-CG 4.29Å; V752-L756 WeakPolarHBondContact O-CB 3.36Å; V752-L756 WeakPolarHBondContact O-CG 3.5Å; V752-L756 PolarHBondContact O-N 2.93Å; V752-V953 HydrophobicContact CG1-CG1 4.41Å; V752-R956 HydrophobicContact CG2-CB 3.86Å; V752-M957 HydrophobicContact CG1-CG 4.38Å; V752-M957 HydrophobicContact CG1-SD 4.44Å; V752-M957 HydrophobicContact CG2-CG 4.38Å; V752-I960 HydrophobicContact CG2-CD1 3.84Å |
| 753 | I | 85.3 | Confident | 85.5 | Confident | 69 Ų | 69 | 65 Ų | 65 | 35% | 0.354 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.9 | -66.6 | 165.1 | 0 | 0 | 0 | 111.2 | V749 Q750 R751 L756 H757 | V749-I753 HydrophobicContact CG1-CD1 4.21Å; V749-I753 WeakPolarHBondContact O-CG1 3.45Å; V749-I753 PolarHBondContact O-N 3.34Å; V749-I753 VanDerWaalsContact O-N 3.08Å; Q750-I753 WeakPolarHBondContact O-CB 3.41Å; Q750-I753 PolarHBondContact O-N 3.29Å; R751-I753 VanDerWaalsContact C-N 3.34Å; R751-I753 PolarHBondContact O-N 2.81Å; I753-L756 PolarHBondContact O-N 3.27Å; I753-H757 PolarHBondContact O-N 3.24Å |
| 754 | E | 85.3 | Confident | 85.7 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.8 | -72.9 | 167.6 | -172 | 0 | 0 | 112.4 | Q750 R751 V752 H757 G758 | Q750-E754 PolarHBondContact NE2-OE1 3.25Å; Q750-E754 WeakPolarHBondContact O-CG 3.18Å; Q750-E754 PolarHBondContact O-N 2.91Å; R751-E754 PolarHBondContact O-N 2.99Å; V752-E754 PolarHBondContact O-N 3.25Å; E754-H757 PolarHBondContact O-N 3.12Å; E754-G758 PolarHBondContact O-N 3.42Å |
| 755 | V | 86.9 | Confident | 85.9 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | R751 V752 G758 L759 L949 V953 | R751-V755 WeakPolarHBondContact O-CG2 3.3Å; R751-V755 PolarHBondContact O-N 2.87Å; V752-V755 PolarHBondContact O-N 3.3Å; V755-G758 CarbonylContact O-C 3.41Å; V755-G758 PolarHBondContact O-N 3.33Å; V755-L759 HydrophobicContact CG1-CD1 4.06Å; V755-L759 HydrophobicContact CG1-CG 4.27Å; V755-L759 WeakPolarHBondContact O-CB 3.27Å; V755-L759 WeakPolarHBondContact O-CG 3.25Å; V755-L759 PolarHBondContact O-N 2.9Å; V755-L949 HydrophobicContact CG1-CB 4.22Å; V755-L949 HydrophobicContact CG1-CD1 4.42Å; V755-L949 HydrophobicContact CG1-CD2 3.99Å; V755-L949 HydrophobicContact CG1-CG 4.45Å; V755-V953 HydrophobicContact CB-CG2 3.88Å; V755-V953 HydrophobicContact CG1-CG2 3.43Å; V755-V953 VanDerWaalsContact CG1-CG2 3.43Å |
| 756 | L | 83.9 | Confident | 85.9 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 45% | 0.45 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.4 | -74.7 | 171 | 0 | 0 | 0 | 112.5 | V752 I753 L759 Q760 | V752-L756 HydrophobicContact CG1-CD1 3.81Å; V752-L756 HydrophobicContact CG1-CG 4.29Å; V752-L756 WeakPolarHBondContact O-CB 3.36Å; V752-L756 WeakPolarHBondContact O-CG 3.5Å; V752-L756 PolarHBondContact O-N 2.93Å; I753-L756 PolarHBondContact O-N 3.27Å; L756-L759 HydrophobicContact CD2-CD1 4.49Å; L756-L759 PolarHBondContact O-N 3.45Å; L756-Q760 WeakPolarHBondContact O-CB 3.36Å; L756-Q760 PolarHBondContact O-N 3.46Å |
| 757 | H | 84.7 | Confident | 85.9 | Confident | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 171.6 | -70.1 | 167.4 | 0 | 0 | 0 | 111.7 | I753 E754 Q760 L761 | I753-H757 PolarHBondContact O-N 3.24Å; E754-H757 PolarHBondContact O-N 3.12Å; H757-Q760 PolarHBondContact O-N 2.92Å; H757-L761 WeakPolarHBondContact O-CG 3.3Å; H757-L761 PolarHBondContact O-N 2.98Å; H757-L761 VanDerWaalsContact O-N 3.12Å |
| 758 | G | 88 | Confident | 85.8 | Confident | 21 Ų | 21 | 65 Ų | 65 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E754 V755 L761 K762 | E754-G758 PolarHBondContact O-N 3.42Å; V755-G758 CarbonylContact O-C 3.41Å; V755-G758 PolarHBondContact O-N 3.33Å; G758-L761 PolarHBondContact O-N 2.93Å; G758-K762 WeakPolarHBondContact O-CB 3.26Å; G758-K762 VanDerWaalsContact O-CD 3.31Å; G758-K762 WeakPolarHBondContact O-CD 3.32Å; G758-K762 WeakPolarHBondContact O-CG 3.23Å; G758-K762 PolarHBondContact O-N 2.99Å |
| 759 | L | 86.8 | Confident | 85.2 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.3 | -80.2 | 169 | 0 | 0 | 0 | 111.6 | V755 L756 L761 K762 M763 V946 L949 Q950 V953 | V755-L759 HydrophobicContact CG1-CD1 4.06Å; V755-L759 HydrophobicContact CG1-CG 4.27Å; V755-L759 WeakPolarHBondContact O-CB 3.27Å; V755-L759 WeakPolarHBondContact O-CG 3.25Å; V755-L759 PolarHBondContact O-N 2.9Å; L756-L759 HydrophobicContact CD2-CD1 4.49Å; L756-L759 PolarHBondContact O-N 3.45Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.32Å; L759-K762 PolarHBondContact O-N 3Å; L759-M763 WeakPolarHBondContact O-CB 3.4Å; L759-M763 PolarHBondContact O-N 3.33Å; L759-V946 HydrophobicContact CD2-CB 4.36Å; L759-V946 HydrophobicContact CD2-CG1 4.02Å; L759-V946 HydrophobicContact CD2-CG2 4.29Å; L759-L949 HydrophobicContact CD1-CB 4.47Å; L759-L949 HydrophobicContact CD2-CB 3.75Å; L759-L949 HydrophobicContact CD2-CD1 4.15Å; L759-L949 HydrophobicContact CG-CB 4.2Å; L759-L949 HydrophobicContact CG-CD1 4.37Å; L759-Q950 HydrophobicContact CD1-CG 4.41Å; L759-Q950 HydrophobicContact CD2-CG 4.47Å; L759-V953 HydrophobicContact CD1-CG2 4.17Å |
| 760 | Q | 85.9 | Confident | 84.8 | Confident | 143 Ų | 143 | 80.4 Ų | 80.4 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 176.9 | -173.6 | 178.7 | 4.9 | 0 | 0 | 111.9 | L756 H757 S764 | L756-Q760 WeakPolarHBondContact O-CB 3.36Å; L756-Q760 PolarHBondContact O-N 3.46Å; H757-Q760 PolarHBondContact O-N 2.92Å; Q760-S764 PolarHBondContact O-N 3.13Å; Q760-S764 VanDerWaalsContact O-N 3.09Å |
| 761 | L | 87.6 | Confident | 84.8 | Confident | 122 Ų | 122 | 78.5 Ų | 78.5 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | 174.6 | -69.4 | 169.1 | 0 | 0 | 0 | 111.4 | H757 G758 L759 M763 S764 I765 | H757-L761 WeakPolarHBondContact O-CG 3.3Å; H757-L761 PolarHBondContact O-N 2.98Å; H757-L761 VanDerWaalsContact O-N 3.12Å; G758-L761 PolarHBondContact O-N 2.93Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.32Å; L761-M763 VanDerWaalsContact C-N 3.3Å; L761-M763 PolarHBondContact O-N 3.39Å; L761-S764 WeakPolarHBondContact O-CB 3.43Å; L761-S764 PolarHBondContact O-N 2.97Å; L761-I765 WeakPolarHBondContact O-CG1 3.45Å; L761-I765 PolarHBondContact O-N 2.71Å |
| 762 | K | 87.7 | Confident | 85 | Confident | 35 Ų | 35 | 79.3 Ų | 79.3 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 178.3 | -71.4 | 161.9 | -170.8 | -71.6 | 0 | 112.6 | G758 L759 I765 L766 L942 H945 V946 L949 | G758-K762 WeakPolarHBondContact O-CB 3.26Å; G758-K762 VanDerWaalsContact O-CD 3.31Å; G758-K762 WeakPolarHBondContact O-CD 3.32Å; G758-K762 WeakPolarHBondContact O-CG 3.23Å; G758-K762 PolarHBondContact O-N 2.99Å; L759-K762 PolarHBondContact O-N 3Å; K762-I765 WeakPolarHBondContact O-CB 3.21Å; K762-I765 PolarHBondContact O-N 3.13Å; K762-L766 PolarHBondContact O-N 3.24Å; K762-L942 HydrophobicContact CB-CD1 3.94Å; K762-L942 HydrophobicContact CG-CD1 3.98Å; K762-H945 WeakPolarHBondContact CE-NE2 3.28Å; K762-H945 PolarHBondContact NZ-CD2 2.87Å; K762-H945 PolarHBondContact NZ-NE2 3.23Å; K762-V946 HydrophobicContact CB-CG2 3.61Å; K762-V946 HydrophobicContact CD-CG2 4.15Å; K762-V946 HydrophobicContact CG-CG2 4.38Å; K762-L949 HydrophobicContact CD-CD1 3.8Å |
| 763 | M | 87.1 | Confident | 85.1 | Confident | 72 Ų | 72 | 82 Ų | 82 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 175.6 | -157.4 | 66.6 | 69 | 0 | 0 | 111.9 | L759 L761 I765 L766 Q767 V946 | L759-M763 WeakPolarHBondContact O-CB 3.4Å; L759-M763 PolarHBondContact O-N 3.33Å; L761-M763 VanDerWaalsContact C-N 3.3Å; L761-M763 PolarHBondContact O-N 3.39Å; M763-I765 VanDerWaalsContact C-N 3.35Å; M763-L766 PolarHBondContact O-N 3.43Å; M763-L766 HydrophobicContact SD-CD1 4.27Å; M763-Q767 WeakPolarHBondContact O-CB 3.15Å; M763-Q767 VanDerWaalsContact O-CG 3.25Å; M763-Q767 WeakPolarHBondContact O-CG 3.15Å; M763-Q767 PolarHBondContact O-N 3.18Å; M763-V946 HydrophobicContact CE-CG1 3.8Å |
| 764 | S | 88.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 172.5 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | Q760 L761 S768 | Q760-S764 PolarHBondContact O-N 3.13Å; Q760-S764 VanDerWaalsContact O-N 3.09Å; L761-S764 WeakPolarHBondContact O-CB 3.43Å; L761-S764 PolarHBondContact O-N 2.97Å; S764-S768 PolarHBondContact O-N 3.21Å; S764-S768 PolarHBondContact O-OG 2.78Å |
| 765 | I | 88.5 | Confident | 85.3 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 173.2 | -59.9 | 172.3 | 0 | 0 | 0 | 109.8 | L761 K762 M763 Q767 S768 H771 D773 L774 L942 | L761-I765 WeakPolarHBondContact O-CG1 3.45Å; L761-I765 PolarHBondContact O-N 2.71Å; K762-I765 WeakPolarHBondContact O-CB 3.21Å; K762-I765 PolarHBondContact O-N 3.13Å; M763-I765 VanDerWaalsContact C-N 3.35Å; I765-Q767 PolarHBondContact O-N 2.58Å; I765-S768 PolarHBondContact O-N 3.35Å; I765-S768 VanDerWaalsContact O-O 3.09Å; I765-S768 PolarHBondContact O-OG 2.83Å; I765-H771 HydrophobicContact CG2-CB 3.99Å; I765-D773 HydrophobicContact CD1-CB 4.23Å; I765-L774 HydrophobicContact CG2-CB 4.15Å; I765-L774 HydrophobicContact CG2-CD1 4.19Å; I765-L942 HydrophobicContact CB-CD2 3.91Å; I765-L942 HydrophobicContact CG2-CD2 3.52Å |
| 766 | L | 85.4 | Confident | 85.3 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.2 | -74.1 | 171.9 | 0 | 0 | 0 | 113.6 | K762 M763 S768 Q939 L942 L943 V946 | K762-L766 PolarHBondContact O-N 3.24Å; M763-L766 PolarHBondContact O-N 3.43Å; M763-L766 HydrophobicContact SD-CD1 4.27Å; L766-S768 PolarHBondContact O-N 3.4Å; L766-Q939 HydrophobicContact CD2-CB 4.19Å; L766-Q939 HydrophobicContact CD2-CG 4.36Å; L766-L942 HydrophobicContact CD1-CG 4.2Å; L766-L942 HydrophobicContact CD2-CB 4.04Å; L766-L942 HydrophobicContact CD2-CD2 3.7Å; L766-L942 HydrophobicContact CD2-CG 3.75Å; L766-L942 HydrophobicContact CG-CD2 3.66Å; L766-L942 HydrophobicContact CG-CG 3.77Å; L766-L943 HydrophobicContact CD1-CD1 4.17Å; L766-V946 HydrophobicContact CD1-CG2 4.37Å |
| 767 | Q | 84.4 | Confident | 85.5 | Confident | 154 Ų | 154 | 79 Ų | 79 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.6 | -24.8 | 179.6 | -75.4 | 170.3 | 19.3 | 0 | 0 | 113.1 | M763 I765 | M763-Q767 WeakPolarHBondContact O-CB 3.15Å; M763-Q767 VanDerWaalsContact O-CG 3.25Å; M763-Q767 WeakPolarHBondContact O-CG 3.15Å; M763-Q767 PolarHBondContact O-N 3.18Å; I765-Q767 PolarHBondContact O-N 2.58Å |
| 768 | S | 82.6 | Confident | 85.5 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | trans | -106.6 | 99.8 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | S764 I765 L766 E770 H771 | S764-S768 PolarHBondContact O-N 3.21Å; S764-S768 PolarHBondContact O-OG 2.78Å; I765-S768 PolarHBondContact O-N 3.35Å; I765-S768 VanDerWaalsContact O-O 3.09Å; I765-S768 PolarHBondContact O-OG 2.83Å; L766-S768 PolarHBondContact O-N 3.4Å; S768-E770 PolarHBondContact O-N 3.44Å; S768-H771 WeakPolarHBondContact O-CB 3.43Å; S768-H771 PolarHBondContact O-N 3.19Å; S768-H771 WeakPolarHBondContact OG-CB 3.33Å; S768-H771 PolarHBondContact OG-CD2 2.82Å | ||
| 769 | R | 71.6 | Confident | 85.4 | Confident | 193 Ų | 193 | 82.5 Ų | 82.5 | 73% | 0.728 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -37.3 | -175.9 | -66.9 | -175.1 | 176 | -161.9 | -4.7 | 113.5 | L774 Q935 | R769-L774 WeakPolarHBondContact O-CD2 3.36Å; R769-Q935 PolarHBondContact O-NE2 3.28Å |
| 770 | E | 78.3 | Confident | 85.1 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 85% | 0.846 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 37.1 | -177.1 | -64 | 168.1 | -161.2 | 0 | 0 | 112.5 | S768 | S768-E770 PolarHBondContact O-N 3.44Š|
| 771 | H | 84.1 | Confident | 84.7 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 22% | 0.222 | 43% | 0.426 | C | S | . | . | trans | -67.2 | 134.3 | 176.7 | -156.3 | -97.2 | 0 | 0 | 0 | 111.6 | I765 S768 D773 L774 | I765-H771 HydrophobicContact CG2-CB 3.99Å; S768-H771 WeakPolarHBondContact O-CB 3.43Å; S768-H771 PolarHBondContact O-N 3.19Å; S768-H771 WeakPolarHBondContact OG-CB 3.33Å; S768-H771 PolarHBondContact OG-CD2 2.82Å; H771-D773 IonicContact CE1-OD2 2.58Å; H771-D773 PolarHBondContact CE1-OD2 3.2Å; H771-D773 PolarHBondContact ND1-N 2.98Å; H771-D773 IonicContact ND1-OD2 2.7Å; H771-D773 PolarHBondContact O-N 2.84Å; H771-L774 HydrophobicContact CB-CB 4.25Å; H771-L774 WeakPolarHBondContact O-CB 3.49Å; H771-L774 PolarHBondContact O-N 2.87Å; H771-L774 VanDerWaalsContact O-N 3.12Å | ||
| 772 | P | 85.9 | Confident | 84.2 | Confident | 103 Ų | 103 | 86.5 Ų | 86.5 | 67% | 0.669 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.4 | -179.6 | 25.2 | -35.9 | 0 | 0 | 0 | 113.6 | P775 | P772-P775 VanDerWaalsContact O-CD 3.28Å; P772-P775 WeakPolarHBondContact O-CD 3.14Å |
| 773 | D | 88.2 | Confident | 82.7 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -5.2 | -179.4 | -52.2 | -29.4 | 0 | 0 | 0 | 113.5 | I765 H771 P775 L776 | I765-D773 HydrophobicContact CD1-CB 4.23Å; H771-D773 IonicContact CE1-OD2 2.58Å; H771-D773 PolarHBondContact CE1-OD2 3.2Å; H771-D773 PolarHBondContact ND1-N 2.98Å; H771-D773 IonicContact ND1-OD2 2.7Å; H771-D773 PolarHBondContact O-N 2.84Å; D773-P775 VanDerWaalsContact C-CD 3.48Å; D773-L776 HydrophobicContact CB-CD1 3.98Å; D773-L776 VanDerWaalsContact O-CB 3.3Å; D773-L776 WeakPolarHBondContact O-CB 3.42Å; D773-L776 WeakPolarHBondContact O-CG 3.36Å; D773-L776 PolarHBondContact O-N 3.1Å |
| 774 | L | 87.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 96.5 Ų | 96.5 | 2% | 0.016 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -61.4 | -39.5 | 177.3 | -177.2 | 64.6 | 0 | 0 | 0 | 113.1 | I765 R769 H771 L776 W777 Q935 W938 Q939 L942 | I765-L774 HydrophobicContact CG2-CB 4.15Å; I765-L774 HydrophobicContact CG2-CD1 4.19Å; R769-L774 WeakPolarHBondContact O-CD2 3.36Å; H771-L774 HydrophobicContact CB-CB 4.25Å; H771-L774 WeakPolarHBondContact O-CB 3.49Å; H771-L774 PolarHBondContact O-N 2.87Å; H771-L774 VanDerWaalsContact O-N 3.12Å; L774-L776 PolarHBondContact O-N 3.15Å; L774-L776 VanDerWaalsContact O-N 3.14Å; L774-W777 WeakPolarHBondContact O-CB 3.49Å; L774-W777 PolarHBondContact O-N 3.45Å; L774-Q935 HydrophobicContact CD2-CG 4.06Å; L774-W938 HydrophobicContact CD1-CB 4.06Å; L774-W938 HydrophobicContact CG-CB 3.99Å; L774-W938 HydrophobicContact CG-CE3 4.26Å; L774-Q939 HydrophobicContact CD1-CG 3.91Å; L774-Q939 HydrophobicContact CD2-CG 3.91Å; L774-L942 HydrophobicContact CD1-CD2 4.06Å |
| 775 | P | 88.3 | Confident | 78.1 | Confident | 56 Ų | 56 | 98.6 Ų | 98.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -62.1 | -16.2 | 175.1 | -20.6 | 32.5 | 0 | 0 | 0 | 115 | P772 D773 W777 C778 W938 | P772-P775 VanDerWaalsContact O-CD 3.28Å; P772-P775 WeakPolarHBondContact O-CD 3.14Å; D773-P775 VanDerWaalsContact C-CD 3.48Å; P775-W777 PolarHBondContact O-N 3.2Å; P775-C778 VanDerWaalsContact O-CB 3.27Å; P775-C778 WeakPolarHBondContact O-CB 3.5Å; P775-C778 PolarHBondContact O-N 2.81Å; P775-C778 VanDerWaalsContact O-N 3.15Å; P775-C778 PolarHBondContact O-SG 2.05Å; P775-C778 VanDerWaalsContact O-SG 3.35Å; P775-W938 HydrophobicContact CB-CE3 4.16Å; P775-W938 HydrophobicContact CB-CH2 4.09Å; P775-W938 HydrophobicContact CB-CZ3 3.92Å; P775-W938 HydrophobicContact CG-CE3 4.08Å; P775-W938 HydrophobicContact CG-CH2 4.2Å; P775-W938 HydrophobicContact CG-CZ3 3.67Å |
| 776 | L | 87.1 | Confident | 76 | Confident | 129 Ų | 129 | 101.6 Ų | 101.6 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -65 | -19.4 | 173.5 | -56 | 179.9 | 0 | 0 | 0 | 111.8 | D773 L774 C778 | D773-L776 HydrophobicContact CB-CD1 3.98Å; D773-L776 VanDerWaalsContact O-CB 3.3Å; D773-L776 WeakPolarHBondContact O-CB 3.42Å; D773-L776 WeakPolarHBondContact O-CG 3.36Å; D773-L776 PolarHBondContact O-N 3.1Å; L774-L776 PolarHBondContact O-N 3.15Å; L774-L776 VanDerWaalsContact O-N 3.14Å; L776-C778 PolarHBondContact O-N 3.01Å |
| 777 | W | 87.3 | Confident | 73.8 | Confident | 40 Ų | 40 | 109.5 Ų | 109.5 | 15% | 0.152 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -91.3 | 26.5 | 175.7 | -56.7 | 85.1 | 0 | 0 | 0 | 111.9 | L774 P775 Q779 W781 W938 N941 L942 H945 | L774-W777 WeakPolarHBondContact O-CB 3.49Å; L774-W777 PolarHBondContact O-N 3.45Å; P775-W777 PolarHBondContact O-N 3.2Å; W777-Q779 VanDerWaalsContact C-N 3.28Å; W777-Q779 PolarHBondContact O-N 3.15Å; W777-W781 HydrophobicContact CZ3-CE3 4.48Å; W777-W938 HydrophobicContact CB-CB 4.43Å; W777-W938 WeakPolarHBondContact CB-O 3.5Å; W777-N941 HydrophobicContact CB-CB 4.35Å; W777-N941 VanDerWaalsContact O-CB 3.29Å; W777-N941 WeakPolarHBondContact O-CB 3.27Å; W777-N941 PolarHBondContact O-ND2 3.14Å; W777-L942 HydrophobicContact CB-CB 4.13Å; W777-L942 HydrophobicContact CD2-CB 3.9Å; W777-L942 HydrophobicContact CD2-CD1 3.74Å; W777-L942 HydrophobicContact CD2-CG 4.28Å; W777-L942 HydrophobicContact CE3-CB 4.17Å; W777-L942 HydrophobicContact CE3-CD1 4.05Å; W777-L942 HydrophobicContact CG-CB 3.8Å; W777-L942 HydrophobicContact CG-CD1 4.29Å; W777-L942 HydrophobicContact CG-CD2 4.38Å; W777-L942 HydrophobicContact CG-CG 4.37Å; W777-L942 HydrophobicContact CH2-CD1 4.33Å; W777-L942 HydrophobicContact CZ2-CD1 3.98Å; W777-L942 HydrophobicContact CZ3-CD1 4.33Å; W777-H945 HydrophobicContact CE3-CB 4.33Å; W777-H945 HydrophobicContact CH2-CB 4.5Å; W777-H945 AromaticContact CH2-CD2 3.74Å; W777-H945 AromaticContact CH2-CG 3.88Å; W777-H945 HydrophobicContact CZ3-CB 3.71Å; W777-H945 AromaticContact CZ3-CD2 3.82Å; W777-H945 AromaticContact CZ3-CG 3.49Å; W777-H945 VanDerWaalsContact CZ3-CG 3.49Å |
| 778 | C | 85.6 | Confident | 71.3 | Confident | 65 Ų | 65 | 105.4 Ų | 105.4 | 44% | 0.439 | 56% | 0.564 | S | S | . | * | trans | -64.8 | -28.3 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | P775 L776 W938 N941 | P775-C778 VanDerWaalsContact O-CB 3.27Å; P775-C778 WeakPolarHBondContact O-CB 3.5Å; P775-C778 PolarHBondContact O-N 2.81Å; P775-C778 VanDerWaalsContact O-N 3.15Å; P775-C778 PolarHBondContact O-SG 2.05Å; P775-C778 VanDerWaalsContact O-SG 3.35Å; L776-C778 PolarHBondContact O-N 3.01Å; C778-W938 VanDerWaalsContact CA-CD1 3.45Å; C778-N941 PolarHBondContact O-ND2 2.81Å | ||
| 779 | Q | 84.6 | Confident | 68.8 | Low | 143 Ų | 143 | 111.2 Ų | 111.2 | 67% | 0.668 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -96.9 | 144.7 | 173.8 | -63.5 | -59.5 | -32.4 | 0 | 0 | 111.1 | W777 N941 | W777-Q779 VanDerWaalsContact C-N 3.28Å; W777-Q779 PolarHBondContact O-N 3.15Å; Q779-N941 VanDerWaalsContact C-ND2 3.25Å; Q779-N941 PolarHBondContact O-ND2 3.2Å |
| 780 | P | 80.9 | Confident | 66.6 | Low | 78 Ų | 78 | 107.1 Ų | 107.1 | 51% | 0.506 | 58% | 0.581 | S | S | . | * | trans | -57.8 | 141.8 | 170.2 | -23.1 | 34.1 | 0 | 0 | 0 | 111.4 | K782 | P780-K782 PolarHBondContact O-N 2.94Š| ||
| 781 | W | 78.6 | Confident | 64.2 | Low | 111 Ų | 111 | 104.5 Ų | 104.5 | 42% | 0.42 | 57% | 0.569 | S | S | . | * | trans | -67.1 | 108.3 | 171.7 | 177.4 | -106.5 | 0 | 0 | 0 | 109.8 | W777 Q783 H945 | W777-W781 HydrophobicContact CZ3-CE3 4.48Å; W781-Q783 PolarHBondContact O-N 3.11Å; W781-H945 HydrophobicContact CB-CB 4Å; W781-H945 AromaticContact CD1-ND1 3.8Å; W781-H945 HydrophobicContact CD2-CB 4.41Å; W781-H945 AromaticContact CD2-CE1 3.83Å; W781-H945 AromaticContact CD2-ND1 2.98Å; W781-H945 AromaticContact CE2-CE1 3.35Å; W781-H945 AromaticContact CE2-ND1 3.16Å; W781-H945 AromaticContact CE3-CE1 3.86Å; W781-H945 AromaticContact CE3-ND1 3.26Å; W781-H945 VanDerWaalsContact CE3-ND1 3.26Å; W781-H945 HydrophobicContact CG-CB 4.02Å; W781-H945 AromaticContact CG-ND1 3.45Å; W781-H945 AromaticContact CH2-CE1 2.96Å; W781-H945 WeakPolarHBondContact CH2-CE1 3.23Å; W781-H945 AromaticContact CH2-ND1 3.83Å; W781-H945 AromaticContact CZ2-CE1 2.9Å; W781-H945 WeakPolarHBondContact CZ2-CE1 3.35Å; W781-H945 AromaticContact CZ2-ND1 3.59Å; W781-H945 AromaticContact CZ3-CE1 3.46Å; W781-H945 VanDerWaalsContact CZ3-CE1 3.46Å; W781-H945 WeakPolarHBondContact CZ3-CE1 3.48Å; W781-H945 AromaticContact CZ3-ND1 3.67Å; W781-H945 AromaticContact NE1-ND1 3.63Å | ||
| 782 | K | 76.1 | Confident | 61.5 | Low | 178 Ų | 178 | 110 Ų | 110 | 77% | 0.774 | 59% | 0.592 | S | S | * | * | trans | -73.9 | 109 | 170 | -65.6 | -174.5 | 179.5 | -175.9 | 0 | 108 | P780 H784 | P780-K782 PolarHBondContact O-N 2.94Å; K782-H784 PolarHBondContact O-N 3.44Å | ||
| 783 | Q | 56.3 | Low | 58.6 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | trans | -59.9 | 128.6 | 160.6 | -77.3 | -169.7 | -18 | 0 | 0 | 108.4 | W781 S785 S948 | W781-Q783 PolarHBondContact O-N 3.11Å; Q783-S785 PolarHBondContact O-N 2.75Å; Q783-S948 PolarHBondContact NE2-OG 2.81Å | ||
| 784 | H | 44.2 | Very low | 55.6 | Low | 184 Ų | 184 | 117.2 Ų | 117.2 | 85% | 0.852 | 62% | 0.616 | S | S | * | * | trans | -69.9 | 100.6 | 164.8 | -80.1 | -90.4 | 0 | 0 | 0 | 108 | K782 G786 | K782-H784 PolarHBondContact O-N 3.44Å; H784-G786 PolarHBondContact O-N 2.7Å | ||
| 785 | S | 35 | Very low | 52.6 | Low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -52.9 | 134.3 | 165.9 | 46.8 | 0 | 0 | 0 | 0 | 109.4 | Q783 E787 | Q783-S785 PolarHBondContact O-N 2.75Å; S785-E787 PolarHBondContact O-N 3.26Å | ||
| 786 | G | 43.1 | Very low | 49.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 87% | 0.866 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -70.6 | 34.1 | -158.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | H784 | H784-G786 PolarHBondContact O-N 2.7Š|
| 787 | E | 40.2 | Very low | 46.7 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | trans | -112.7 | 72.6 | 172.3 | -66.3 | -170.8 | 130.7 | 0 | 0 | 109.3 | S785 | S785-E787 PolarHBondContact O-N 3.26Š| ||
| 788 | G | 31.4 | Very low | 43.8 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -163.6 | 55.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S790 | G788-S790 PolarHBondContact O-N 3.14Š|
| 789 | R | 30.5 | Very low | 41 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | trans | 44.4 | 72.5 | 160.5 | -144.5 | -177 | -152.4 | 170 | 12.1 | 115.4 | D649 Q791 | D649-R789 IonicContact OD2-NH1 2.68Å; R789-Q791 HydrophobicContact CG-CG 4.06Å; R789-Q791 PolarHBondContact O-N 3.45Å | ||
| 790 | S | 25.4 | Very low | 38.1 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | -59.8 | 104.8 | 158.5 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | G788 F792 | G788-S790 PolarHBondContact O-N 3.14Å; S790-F792 PolarHBondContact O-N 3.06Å | ||
| 791 | Q | 28.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 59% | 0.589 | 73% | 0.734 | S | S | * | * | trans | -81.4 | 52.4 | 178.9 | -72.8 | -170.7 | -35.8 | 0 | 0 | 112.7 | R789 | R789-Q791 HydrophobicContact CG-CG 4.06Å; R789-Q791 PolarHBondContact O-N 3.45Å | ||
| 792 | F | 26.2 | Very low | 32.9 | Very low | 163 Ų | 163 | 140 Ų | 140 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | -113.1 | 98.2 | 151.2 | -84 | -89.2 | 0 | 0 | 0 | 107.9 | S790 N794 | S790-F792 PolarHBondContact O-N 3.06Å; F792-N794 PolarHBondContact O-N 2.87Å | ||
| 793 | K | 25.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 78.3 | 167.1 | -73.7 | -175.9 | 179.9 | 176.6 | 0 | 109.2 | I795 | K793-I795 PolarHBondContact O-N 3.29Å; K793-I795 VanDerWaalsContact O-N 3.14Å | ||
| 794 | N | 24.4 | Very low | 29 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -64.3 | 109.5 | 157 | -82.1 | -45 | 0 | 0 | 0 | 106.9 | F792 P796 | F792-N794 PolarHBondContact O-N 2.87Å; N794-P796 WeakPolarHBondContact O-CD 3.35Å | ||
| 795 | I | 25.4 | Very low | 28 | Very low | 145 Ų | 145 | 144 Ų | 144 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -63.1 | 122.6 | 175.6 | -60.9 | 171.7 | 0 | 0 | 0 | 107.4 | K793 V797 | K793-I795 PolarHBondContact O-N 3.29Å; K793-I795 VanDerWaalsContact O-N 3.14Å; I795-V797 PolarHBondContact O-N 3.07Å | ||
| 796 | P | 24.1 | Very low | 27.6 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -71.8 | 104.1 | 176 | 29 | -32.5 | 0 | 0 | 0 | 109.1 | N794 T798 | N794-P796 WeakPolarHBondContact O-CD 3.35Å; P796-T798 VanDerWaalsContact C-N 3.32Å; P796-T798 PolarHBondContact O-N 3.48Å | ||
| 797 | V | 27.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 146 Ų | 146 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -70.7 | 94.7 | 165.1 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | I795 D799 | I795-V797 PolarHBondContact O-N 3.07Å; V797-D799 PolarHBondContact O-N 2.94Å; V797-D799 VanDerWaalsContact O-N 3.09Å | ||
| 798 | T | 25.6 | Very low | 26 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 97.4 | 174.6 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | P796 T800 | P796-T798 VanDerWaalsContact C-N 3.32Å; P796-T798 PolarHBondContact O-N 3.48Å; T798-T800 PolarHBondContact O-N 3.15Å | ||
| 799 | D | 26.6 | Very low | 25.8 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -74.3 | 72.2 | 177.9 | -147.5 | -14.9 | 0 | 0 | 0 | 110.4 | V797 R801 | V797-D799 PolarHBondContact O-N 2.94Å; V797-D799 VanDerWaalsContact O-N 3.09Å; D799-R801 PolarHBondContact O-N 3.13Å | ||
| 800 | T | 25 | Very low | 25.7 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -75.7 | 92.6 | -177.7 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | T798 S802 | T798-T800 PolarHBondContact O-N 3.15Å; T800-S802 PolarHBondContact O-N 2.83Å | ||
| 801 | R | 26.6 | Very low | 25.9 | Very low | 248 Ų | 248 | 150.5 Ų | 150.5 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -69 | 73 | 171.6 | -169.7 | -170.4 | 177.2 | -172.2 | 0.2 | 112 | D799 | D799-R801 PolarHBondContact O-N 3.13Š| ||
| 802 | S | 23.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 152.7 | 165 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | T800 | T800-S802 PolarHBondContact O-N 2.83Š|
| 803 | K | 24.1 | Very low | 25.8 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 158.4 | -171.2 | -157.4 | -179 | 178.9 | -164.7 | 0 | 111.8 | E805 | K803-E805 PolarHBondContact O-N 3.47Š|
| 804 | E | 26.4 | Very low | 25.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 130.6 | 170.7 | -60.9 | 164.6 | 107.6 | 0 | 0 | 111.6 | ||
| 805 | E | 22.5 | Very low | 25.8 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -163.4 | 141.4 | 141.6 | -117.4 | 165.8 | -147 | 0 | 0 | 109.8 | K803 | K803-E805 PolarHBondContact O-N 3.47Š| ||
| 806 | A | 26.5 | Very low | 25.9 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -139.3 | 121.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 807 | P | 26.9 | Very low | 25.9 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 109.6 | 164.1 | 8.7 | 12 | 0 | 0 | 0 | 110.4 | ||||
| 808 | S | 23.6 | Very low | 25.9 | Very low | 103 Ų | 103 | 148 Ų | 148 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -86.5 | 139.2 | 165.8 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 809 | Y | 25.8 | Very low | 25.9 | Very low | 212 Ų | 212 | 149.2 Ų | 149.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | -172.4 | 153.6 | 129.2 | 69.7 | -97.4 | 0 | 0 | 0 | 110.5 | |||||
| 810 | R | 28.4 | Very low | 26 | Very low | 219 Ų | 219 | 153.2 Ų | 153.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | cis | -150.3 | -174.4 | -15.3 | -122.9 | 164.2 | -164.3 | 146.3 | 8.7 | 111.1 | ||||
| 811 | T | 29.2 | Very low | 27.2 | Very low | 98 Ų | 98 | 153 Ų | 153 | 60% | 0.601 | 80% | 0.802 | S | S | * | * | trans | -113.9 | 153.6 | -170.1 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | N813 | T811-N813 WeakPolarHBondContact CB-OD1 3.27Å; T811-N813 PolarHBondContact O-ND2 3.32Å; T811-N813 PolarHBondContact OG1-OD1 2.74Å | ||
| 812 | L | 25.2 | Very low | 27 | Very low | 179 Ų | 179 | 149 Ų | 149 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 130.4 | 149.3 | -163.5 | 60.6 | 0 | 0 | 0 | 108.6 | ||||
| 813 | N | 29 | Very low | 27 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | -100.1 | 175.8 | -167.5 | -48.4 | -64.8 | 0 | 0 | 0 | 109.7 | T811 | T811-N813 WeakPolarHBondContact CB-OD1 3.27Å; T811-N813 PolarHBondContact O-ND2 3.32Å; T811-N813 PolarHBondContact OG1-OD1 2.74Å | ||
| 814 | G | 26.4 | Very low | 27 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | cis | -172.4 | -159.3 | 3.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 815 | A | 23.8 | Very low | 27 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -162.2 | 154.9 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 816 | V | 26.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | 60.6 | 128.5 | 124.7 | 169.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 817 | E | 24.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -160.3 | -178.1 | -1.2 | -128.3 | 168.1 | -125.6 | 0 | 0 | 114.5 | ||||
| 818 | K | 28.1 | Very low | 27.5 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -105.7 | 165.6 | 166.5 | -71.2 | 176 | 178.1 | 168.3 | 0 | 110 | ||||
| 819 | P | 25.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -137.8 | 167.1 | 110.3 | 16.7 | 4.7 | 0 | 0 | 0 | 116.4 | |||||
| 820 | R | 27.6 | Very low | 27.8 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -143 | 173.8 | 163.9 | -90.3 | -170.5 | 176.9 | -173.8 | -0.1 | 105.5 | ||||
| 821 | P | 50.3 | Low | 28 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | cis | -132.4 | -175.2 | 4.7 | 33.4 | -11.7 | 0 | 0 | 0 | 114.2 | ||||
| 822 | L | 22.7 | Very low | 28.2 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | 168.2 | 155.4 | 113.9 | -88.8 | 176.1 | 0 | 0 | 0 | 114.3 | |||||
| 823 | A | 23.5 | Very low | 28.6 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 66.2 | 140.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 824 | L | 23.9 | Very low | 29 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -100.3 | 164.7 | 166.9 | -68.6 | 164.2 | 0 | 0 | 0 | 109.3 | ||||
| 825 | P | 27.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -133.4 | 151.6 | 87.8 | 13.6 | 8.1 | 0 | 0 | 0 | 114.8 | |||||
| 826 | L | 27.3 | Very low | 29.7 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -81 | 155.3 | 166.2 | -153.7 | 83.6 | 0 | 0 | 0 | 109.9 | ||||
| 827 | P | 33.6 | Very low | 30.6 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -145.5 | 135 | 98 | 35.1 | -19.3 | 0 | 0 | 0 | 115.8 | |||||
| 828 | R | 24.5 | Very low | 31 | Very low | 222 Ų | 222 | 148.1 Ų | 148.1 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 36.2 | 126.3 | 144.1 | -62.1 | 177.4 | 171.6 | 167.8 | -3.5 | 117.9 | ||||
| 829 | S | 26.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | -179.8 | 174.5 | 64 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 830 | V | 29.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 87.6 | 176.1 | -168.2 | 0 | 0 | 0 | 0 | 114.2 | E832 | V830-E832 HydrophobicContact CG1-CG 3.89Š| ||
| 831 | E | 33.5 | Very low | 32.5 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -92.2 | 114.9 | 158.2 | 179.6 | 172 | 175.1 | 0 | 0 | 107.4 | S833 | E831-S833 PolarHBondContact OE1-OG 3.29Š| ||
| 832 | E | 31.8 | Very low | 31.8 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -114.6 | 80.4 | 171.9 | -80.9 | -171.9 | 162.8 | 0 | 0 | 109.2 | V830 Y834 | V830-E832 HydrophobicContact CG1-CG 3.89Å; E832-Y834 PolarHBondContact O-N 2.78Å | ||
| 833 | S | 35 | Very low | 32.2 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 103.4 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | E831 I835 | E831-S833 PolarHBondContact OE1-OG 3.29Å; S833-I835 PolarHBondContact O-N 2.81Å | ||
| 834 | Y | 35.7 | Very low | 32.4 | Very low | 224 Ų | 224 | 148.2 Ų | 148.2 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -72.4 | 87.7 | -177.7 | -176 | -94.5 | 0 | 0 | 0 | 111.4 | E832 | E832-Y834 PolarHBondContact O-N 2.78Š|
| 835 | I | 36.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -173.1 | 110.2 | 141.2 | -90.2 | 144.1 | 0 | 0 | 0 | 106.6 | S833 | S833-I835 PolarHBondContact O-N 2.81Š| ||
| 836 | T | 28.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -97.3 | 137.5 | 168.8 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | E838 | T836-E838 VanDerWaalsContact C-N 3.33Å; T836-E838 PolarHBondContact O-N 2.66Å | ||
| 837 | S | 47.3 | Very low | 33.3 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 58.5 | -161.2 | -176.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 838 | E | 32.8 | Very low | 33.3 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -2.5 | 178.4 | -67.7 | -159.8 | 148.3 | 0 | 0 | 115.8 | T836 | T836-E838 VanDerWaalsContact C-N 3.33Å; T836-E838 PolarHBondContact O-N 2.66Å |
| 839 | H | 39.4 | Very low | 33.8 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -114.3 | 45.8 | -172.3 | -73.9 | 80.7 | 0 | 0 | 0 | 114.4 | ||||
| 840 | C | 36.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 69% | 0.689 | 74% | 0.743 | S | S | * | * | trans | -60.2 | 149 | 172 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | Q842 | C840-Q842 PolarHBondContact O-N 2.93Š| ||
| 841 | Y | 36.6 | Very low | 35 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | -45.4 | 129.9 | -168.8 | -68.7 | -91.7 | 0 | 0 | 0 | 115.2 | M721 K843 | M721-Y841 HydrophobicContact CE-CE1 4.46Å; Y841-K843 PolarHBondContact O-N 3.29Å | ||
| 842 | Q | 35.4 | Very low | 35.3 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 85.3 | -174.4 | -164.6 | 161.7 | -125.9 | 0 | 0 | 111.4 | C840 | C840-Q842 PolarHBondContact O-N 2.93Š| ||
| 843 | K | 30.1 | Very low | 35.3 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -38.1 | 116.7 | -174.5 | -163.4 | 168.9 | -171.8 | 170.7 | 0 | 113.8 | Y841 R845 | Y841-K843 PolarHBondContact O-N 3.29Å; K843-R845 PolarHBondContact O-N 2.95Å | ||
| 844 | P | 29.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -59.3 | 135.1 | 174.1 | -24.1 | 34.3 | 0 | 0 | 0 | 111.4 | A846 | P844-A846 VanDerWaalsContact C-N 3.26Å; P844-A846 PolarHBondContact O-N 3.3Å | ||
| 845 | R | 32.2 | Very low | 35.6 | Very low | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | trans | -79.2 | 74.9 | 173.1 | -74.5 | -173.3 | 173.8 | -173.8 | -2.8 | 110.4 | K843 Y847 | K843-R845 PolarHBondContact O-N 2.95Å; R845-Y847 PolarHBondContact O-N 2.7Å | ||
| 846 | A | 34.5 | Very low | 35.6 | Very low | 48 Ų | 48 | 151.1 Ų | 151.1 | 40% | 0.397 | 76% | 0.762 | S | S | . | * | trans | -61.9 | 128.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | W710 P844 Y848 | W710-A846 HydrophobicContact CZ2-CB 4.15Å; P844-A846 VanDerWaalsContact C-N 3.26Å; P844-A846 PolarHBondContact O-N 3.3Å; A846-Y848 HydrophobicContact CB-CD2 4.44Å; A846-Y848 HydrophobicContact CB-CE2 4.28Å; A846-Y848 PolarHBondContact O-N 3.09Å | ||
| 847 | Y | 28.7 | Very low | 35.9 | Very low | 220 Ų | 220 | 152.1 Ų | 152.1 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | trans | -84.7 | 97.7 | 179.5 | -179.1 | -89.2 | 0 | 0 | 0 | 108.9 | R845 P849 | R845-Y847 PolarHBondContact O-N 2.7Å; Y847-P849 WeakPolarHBondContact O-CD 3.47Å | ||
| 848 | Y | 33.9 | Very low | 35.3 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 121 | 174.8 | -83.4 | -101.9 | 0 | 0 | 0 | 110.8 | A846 | A846-Y848 HydrophobicContact CB-CD2 4.44Å; A846-Y848 HydrophobicContact CB-CE2 4.28Å; A846-Y848 PolarHBondContact O-N 3.09Å |
| 849 | P | 36 | Very low | 35.3 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69 | 133.2 | 160.9 | -13.5 | 30.8 | 0 | 0 | 0 | 109.4 | Y847 | Y847-P849 WeakPolarHBondContact O-CD 3.47Š|
| 850 | A | 43.4 | Very low | 35 | Very low | 80 Ų | 80 | 159.3 Ų | 159.3 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79 | 130.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 851 | V | 37.6 | Very low | 34.7 | Very low | 140 Ų | 140 | 158 Ų | 158 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -122.5 | -17.9 | 158.7 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | Q853 | V851-Q853 VanDerWaalsContact C-N 3.32Å; V851-Q853 PolarHBondContact O-N 3.39Å | ||
| 852 | E | 40.7 | Very low | 34.4 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -77.8 | 1.5 | -170.6 | -58.6 | 179.9 | 146.1 | 0 | 0 | 116 | K854 | E852-K854 PolarHBondContact O-N 2.98Š| ||
| 853 | Q | 31.6 | Very low | 34.2 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 47.3 | -176.5 | -72.1 | -157.2 | -38.8 | 0 | 0 | 114.3 | V851 | V851-Q853 VanDerWaalsContact C-N 3.32Å; V851-Q853 PolarHBondContact O-N 3.39Å |
| 854 | K | 42.1 | Very low | 34.4 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | 1 | 172.6 | -123.3 | -178.8 | -179 | -174.8 | 0 | 116.6 | E852 | E852-K854 PolarHBondContact O-N 2.98Š|
| 855 | L | 35.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -127.4 | 24.2 | -176.3 | -91.7 | 164.9 | 0 | 0 | 0 | 115.1 | ||
| 856 | V | 34.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -132.1 | 43.1 | 177.3 | -158.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 857 | V | 35.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -143.4 | 48 | 170.5 | -159 | 0 | 0 | 0 | 0 | 112.3 | ||
| 858 | E | 36.2 | Very low | 33.7 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 33.8 | 177 | -153.5 | 150.7 | -141.4 | 0 | 0 | 115.6 | ||||
| 859 | T | 32.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -125 | 48.9 | 170.1 | 42 | 0 | 0 | 0 | 0 | 112.5 | ||
| 860 | R | 32.6 | Very low | 33.5 | Very low | 256 Ų | 256 | 144.3 Ų | 144.3 | 97% | 0.966 | 82% | 0.817 | S | S | * | * | trans | -154.2 | 82.7 | 167.9 | -125 | 175.4 | -170.8 | -174.9 | 2.9 | 115.8 | ||||
| 861 | G | 29.2 | Very low | 32.6 | Very low | 76 Ų | 76 | 148.2 Ų | 148.2 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -133.5 | 158.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 862 | S | 31.9 | Very low | 32.2 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | cis | -161.1 | 151.7 | 0.2 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 863 | A | 29.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -160.6 | 102.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 864 | L | 34.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | 62.9 | 156.6 | 164.9 | -58.1 | 172.6 | 0 | 0 | 0 | 116.1 | ||||
| 865 | D | 30.1 | Very low | 30.7 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | cis | -143.9 | -176.4 | 0.4 | -137.7 | -45 | 0 | 0 | 0 | 111.3 | ||||
| 866 | D | 27.3 | Very low | 30.2 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 169.7 | -164.1 | -152.1 | -9.8 | 0 | 0 | 0 | 117.2 | ||||
| 867 | A | 26 | Very low | 29.7 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | 102.7 | 143.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 868 | V | 26.9 | Very low | 29.4 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 84.6 | 98.8 | 160.2 | -160.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 869 | N | 25.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -107.4 | 174.9 | 148.7 | -127.8 | -20.1 | 0 | 0 | 0 | 107.3 | ||||
| 870 | P | 40.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -135.1 | -175.7 | -3.6 | 43.1 | -26 | 0 | 0 | 0 | 115 | ||||
| 871 | L | 25.2 | Very low | 28.4 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | 177.5 | 90.6 | 127.5 | -96.5 | 166.6 | 0 | 0 | 0 | 115.3 | |||||
| 872 | H | 28.7 | Very low | 28.3 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | trans | 21.6 | 119.1 | 131.1 | -175.1 | -91.9 | 0 | 0 | 0 | 121.7 | N874 | H872-N874 PolarHBondContact CE1-ND2 3.33Å; H872-N874 PolarHBondContact NE2-ND2 2.92Å | ||
| 873 | E | 27.1 | Very low | 28 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | -158 | 157.4 | 108.6 | -109 | -150.8 | 110.7 | 0 | 0 | 115.4 | |||||
| 874 | N | 29.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 165.8 | -162.3 | -54.2 | -66.3 | 0 | 0 | 0 | 116.8 | H872 | H872-N874 PolarHBondContact CE1-ND2 3.33Å; H872-N874 PolarHBondContact NE2-ND2 2.92Å | ||
| 875 | G | 26.7 | Very low | 27.2 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -167 | -15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 876 | N | 24.8 | Very low | 27.3 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 60.4 | 147.3 | 168.9 | -104 | 55.1 | 0 | 0 | 0 | 123 | ||||
| 877 | D | 24.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 73.1 | 153.1 | 155.2 | -69.2 | -57.1 | 0 | 0 | 0 | 122.5 | ||||
| 878 | S | 27.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -118.5 | 162.2 | -160.6 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 879 | L | 26.9 | Very low | 27.8 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | -174.3 | 167.9 | 128 | -101.7 | 168.2 | 0 | 0 | 0 | 112.8 | |||||
| 880 | S | 25.3 | Very low | 27.7 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -104.6 | 146.5 | -173.8 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | R882 | S880-R882 PolarHBondContact O-N 3.09Š| ||
| 881 | P | 28.9 | Very low | 27 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 101.3 | 171.2 | 33.2 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 882 | R | 27.1 | Very low | 27.1 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 144.3 | 156.7 | -71.3 | -174 | -179.8 | -126.8 | 5.4 | 109.4 | S880 | S880-R882 PolarHBondContact O-N 3.09Š| ||
| 883 | L | 26 | Very low | 26.9 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -103.6 | 126.6 | 156.8 | -73.4 | 173.3 | 0 | 0 | 0 | 108.3 | ||||
| 884 | G | 22.5 | Very low | 26.9 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -142.9 | 152.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 885 | W | 24.2 | Very low | 26.7 | Very low | 251 Ų | 251 | 148.6 Ų | 148.6 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 158.7 | -175.8 | -78.8 | 67.2 | 0 | 0 | 0 | 112.4 | ||||
| 886 | P | 31.4 | Very low | 26.6 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -64.1 | 149.8 | -179.5 | -21.7 | 34.5 | 0 | 0 | 0 | 113.8 | ||||
| 887 | L | 30.6 | Very low | 26.6 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -111.6 | 152.1 | 178.7 | -175.5 | 72 | 0 | 0 | 0 | 109.3 | ||||
| 888 | D | 29.9 | Very low | 27.7 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | 156.5 | 162.3 | 130.9 | -83 | -21 | 0 | 0 | 0 | 113.2 | ||||
| 889 | Q | 29.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 150 Ų | 150 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | cis | 177.4 | 136.6 | -34.1 | -164.8 | 178.9 | 129.3 | 0 | 0 | 108.1 | ||||
| 890 | D | 24 | Very low | 28.3 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -169 | -179.6 | 130 | -137.9 | -34.1 | 0 | 0 | 0 | 112.6 | ||||
| 891 | R | 27.2 | Very low | 28.7 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -122.7 | 164.3 | -154.9 | -47.5 | 122.7 | 99.4 | -168.6 | 7.6 | 114.4 | ||||
| 892 | S | 25.6 | Very low | 28.9 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -163.8 | 169.9 | 133 | -86.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 893 | R | 26.6 | Very low | 30.1 | Very low | 257 Ų | 257 | 139.7 Ų | 139.7 | 97% | 0.97 | 78% | 0.775 | S | S | * | * | trans | -140.4 | 145.6 | -165.5 | -83.9 | -177.2 | 163.2 | -132 | 0.8 | 115.5 | ||||
| 894 | G | 26.3 | Very low | 30.3 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 89.9 | 163.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 895 | D | 24.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | cis | -169.3 | 158 | -19.5 | -160.4 | -0.2 | 0 | 0 | 0 | 111.6 | ||||
| 896 | S | 26.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 69 | 146.7 | 164.9 | 70.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 897 | D | 24.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | -160.1 | 149.5 | -170.9 | 179.6 | 71.4 | 0 | 0 | 0 | 117.3 | K899 | D897-K899 IonicContact OD1-NZ 3.36Å; D897-K899 PolarHBondContact OD1-NZ 3.02Å; D897-K899 IonicContact OD2-NZ 2.82Å; D897-K899 PolarHBondContact OD2-NZ 3.43Å | ||
| 898 | P | 46.2 | Very low | 31.3 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -139.8 | 152.3 | 175.5 | 41.3 | -25 | 0 | 0 | 0 | 119.8 | ||||
| 899 | K | 25.5 | Very low | 31 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 70% | 0.7 | 75% | 0.753 | S | S | * | * | trans | -156.1 | -169.1 | 169.3 | -71 | 100.3 | -156.3 | -178.2 | 0 | 110.6 | D897 | D897-K899 IonicContact OD1-NZ 3.36Å; D897-K899 PolarHBondContact OD1-NZ 3.02Å; D897-K899 IonicContact OD2-NZ 2.82Å; D897-K899 PolarHBondContact OD2-NZ 3.43Å | ||
| 900 | P | 41.7 | Very low | 30.8 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -142.6 | -164.8 | -5.4 | 44.3 | -23.9 | 0 | 0 | 0 | 117.5 | ||||
| 901 | S | 32.6 | Very low | 31.8 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 80.5 | 170.9 | 156.2 | 95.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 902 | S | 34.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | 177.1 | -165.3 | -23.1 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 903 | P | 51.2 | Low | 31.5 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -122.9 | -144.9 | -39.5 | 38.9 | -20.2 | 0 | 0 | 0 | 112 | ||||
| 904 | K | 32 | Very low | 31.5 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 112.1 | 158.8 | 162.9 | -60.1 | 149.7 | -166.2 | 155.4 | 0 | 116.5 | ||||
| 905 | V | 33.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | cis | -167.9 | 154.7 | -17.2 | 135.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 906 | K | 38.3 | Very low | 32 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 57.3 | 100.4 | 161.1 | -92.5 | -176.3 | 169.7 | -80.2 | 0 | 125.4 | ||||
| 907 | E | 28.4 | Very low | 32 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | 65.1 | 107.5 | 104.5 | -166.6 | 176.7 | -150.9 | 0 | 0 | 125 | |||||
| 908 | Y | 29 | Very low | 32.4 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 91% | 0.91 | 77% | 0.768 | S | S | * | * | -158.1 | 167.7 | 124.3 | -150.5 | -102.1 | 0 | 0 | 0 | 110.9 | |||||
| 909 | V | 23.7 | Very low | 32 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 51% | 0.509 | 77% | 0.765 | S | S | . | * | trans | -146.8 | 136.5 | -153.1 | 174.1 | 0 | 0 | 0 | 0 | 117.3 | K911 | V909-K911 HydrophobicContact CG1-CD 3.86Å; V909-K911 HydrophobicContact CG1-CG 3.7Å | ||
| 910 | S | 24.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -173.8 | 142 | 137.1 | -86.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 911 | K | 45 | Very low | 31.6 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | 166.8 | 85.7 | -26.3 | -109.8 | 173 | 174.8 | 172.2 | 0 | 107.4 | V909 | V909-K911 HydrophobicContact CG1-CD 3.86Å; V909-K911 HydrophobicContact CG1-CG 3.7Å | ||
| 912 | K | 25 | Very low | 31.3 | Very low | 212 Ų | 212 | 147.4 Ų | 147.4 | 92% | 0.922 | 77% | 0.773 | S | S | * | * | trans | -171.2 | 149.9 | 161.2 | -107.4 | 162.9 | -175.4 | -179.1 | 0 | 110.5 | ||||
| 913 | A | 21.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 62.8 | 105.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 914 | L | 26.5 | Very low | 30.1 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 25.2 | 112.5 | 146.8 | -82.4 | 159.2 | 0 | 0 | 0 | 122.1 | ||||
| 915 | P | 35 | Very low | 30.2 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -129.9 | 137.7 | 157.3 | 36.5 | -22.1 | 0 | 0 | 0 | 114.1 | ||||
| 916 | E | 27 | Very low | 30.5 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -144.1 | 167 | 172 | -161.5 | 165.1 | 167.8 | 0 | 0 | 112.8 | ||||
| 917 | E | 27.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -60.7 | 155.4 | -161.2 | -69.6 | -164 | 156.8 | 0 | 0 | 119.4 | ||||
| 918 | A | 32.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -109.6 | 153.1 | 109.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 919 | P | 37.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | cis | -146.2 | 168.5 | 22.2 | 43.7 | -24.6 | 0 | 0 | 0 | 119 | ||||
| 920 | A | 29.2 | Very low | 33.2 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | trans | 59.5 | 102.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 921 | R | 30.9 | Very low | 34.6 | Very low | 241 Ų | 241 | 135.4 Ų | 135.4 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | -120.1 | 110.1 | 121 | -66.3 | -172.3 | 179.1 | -174.2 | 0.5 | 107.7 | |||||
| 922 | K | 26 | Very low | 35.2 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | 57.6 | 117.1 | 90.8 | -63 | 175.3 | -176.7 | -177.2 | 0 | 110.3 | |||||
| 923 | L | 29.7 | Very low | 37.3 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | -156.5 | 142.7 | 71.7 | -138.7 | 93.6 | 0 | 0 | 0 | 113.9 | |||||
| 924 | L | 29.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | 55.2 | 116.5 | 156.3 | -64.5 | -178.8 | 0 | 0 | 0 | 122.2 | ||||
| 925 | D | 34.7 | Very low | 42.8 | Very low | 130 Ų | 130 | 115.6 Ų | 115.6 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | 50.5 | 109 | 119.9 | -172.8 | 35.9 | 0 | 0 | 0 | 121 | G927 | D925-G927 PolarHBondContact OD1-N 3.49Å; D925-G927 VanDerWaalsContact OD1-N 3.16Å | |||
| 926 | R | 40.1 | Very low | 45.2 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | -146 | 99.7 | 117.9 | -166.2 | 161.4 | -63.9 | -96.1 | -12.5 | 113.6 | G928 E929 | R926-G928 PolarHBondContact O-N 2.91Å; R926-G928 VanDerWaalsContact O-N 3.17Å; R926-E929 HydrophobicContact CB-CG 3.99Å; R926-E929 WeakPolarHBondContact CD-OE1 3.32Å; R926-E929 HydrophobicContact CG-CG 3.83Å; R926-E929 IonicContact NE-OE1 2.75Å | |||
| 927 | G | 36.2 | Very low | 48.1 | Very low | 75 Ų | 75 | 110 Ų | 110 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 112.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111 | D925 | D925-G927 PolarHBondContact OD1-N 3.49Å; D925-G927 VanDerWaalsContact OD1-N 3.16Å |
| 928 | G | 41.9 | Very low | 51 | Low | 46 Ų | 46 | 104.9 Ų | 104.9 | 47% | 0.474 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 137.6 | -18.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R926 G930 | R926-G928 PolarHBondContact O-N 2.91Å; R926-G928 VanDerWaalsContact O-N 3.17Å; G928-G930 PolarHBondContact O-N 3.19Å |
| 929 | E | 43.6 | Very low | 53.6 | Low | 113 Ų | 113 | 102.5 Ų | 102.5 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.5 | -27.2 | -170.1 | -68.1 | -173.6 | 152.8 | 0 | 0 | 114.9 | R926 L931 L932 S933 | R926-E929 HydrophobicContact CB-CG 3.99Å; R926-E929 WeakPolarHBondContact CD-OE1 3.32Å; R926-E929 HydrophobicContact CG-CG 3.83Å; R926-E929 IonicContact NE-OE1 2.75Å; E929-L931 PolarHBondContact O-N 3.34Å; E929-L932 PolarHBondContact O-N 3.4Å; E929-S933 VanDerWaalsContact O-CB 3.24Å; E929-S933 WeakPolarHBondContact O-CB 3.45Å; E929-S933 PolarHBondContact O-N 2.95Å |
| 930 | G | 54.3 | Low | 56 | Low | 55 Ų | 55 | 103.8 Ų | 103.8 | 57% | 0.567 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G928 S934 | G928-G930 PolarHBondContact O-N 3.19Å; G930-S934 PolarHBondContact O-N 3.33Å; G930-S934 VanDerWaalsContact O-N 3.12Å; G930-S934 PolarHBondContact O-OG 2.91Å |
| 931 | L | 54.1 | Low | 58.8 | Low | 123 Ų | 123 | 100 Ų | 100 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.2 | -42.9 | 175.9 | -176.1 | 62.6 | 0 | 0 | 0 | 110.9 | E929 S933 S934 Q935 | E929-L931 PolarHBondContact O-N 3.34Å; L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 3.03Å; L931-S934 PolarHBondContact O-N 3.15Å; L931-Q935 VanDerWaalsContact O-CB 3.26Å; L931-Q935 WeakPolarHBondContact O-CB 3.38Å; L931-Q935 PolarHBondContact O-N 2.96Å |
| 932 | L | 56.7 | Low | 61.6 | Low | 81 Ų | 81 | 88.6 Ų | 88.6 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.8 | -66.8 | 171.2 | 0 | 0 | 0 | 111.7 | E929 Q935 H936 | E929-L932 PolarHBondContact O-N 3.4Å; L932-Q935 PolarHBondContact O-N 3.01Å; L932-H936 WeakPolarHBondContact O-CB 3.31Å; L932-H936 PolarHBondContact O-N 2.98Å; L932-H936 PolarHBondContact O-ND1 3.5Å |
| 933 | S | 70.2 | Confident | 64.6 | Low | 77 Ų | 77 | 84.2 Ų | 84.2 | 54% | 0.538 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | E929 L931 Q935 H936 Q937 | E929-S933 VanDerWaalsContact O-CB 3.24Å; E929-S933 WeakPolarHBondContact O-CB 3.45Å; E929-S933 PolarHBondContact O-N 2.95Å; L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 3.03Å; S933-Q935 PolarHBondContact O-N 2.99Å; S933-H936 PolarHBondContact O-N 2.64Å; S933-Q937 PolarHBondContact O-N 3.01Å |
| 934 | S | 80.1 | Confident | 67.4 | Low | 50 Ų | 50 | 79 Ų | 79 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | G930 L931 H936 Q937 W938 | G930-S934 PolarHBondContact O-N 3.33Å; G930-S934 VanDerWaalsContact O-N 3.12Å; G930-S934 PolarHBondContact O-OG 2.91Å; L931-S934 PolarHBondContact O-N 3.15Å; S934-H936 PolarHBondContact O-N 3.43Å; S934-Q937 WeakPolarHBondContact O-CB 3.22Å; S934-Q937 PolarHBondContact O-N 3.49Å; S934-W938 PolarHBondContact O-N 3.41Å; S934-W938 PolarHBondContact O-NE1 2.85Å |
| 935 | Q | 82.3 | Confident | 70.2 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 15% | 0.145 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 178.8 | -173.3 | 178.3 | 13.8 | 0 | 0 | 112.7 | R769 L774 L931 L932 S933 W938 Q939 | R769-Q935 PolarHBondContact O-NE2 3.28Å; L774-Q935 HydrophobicContact CD2-CG 4.06Å; L931-Q935 VanDerWaalsContact O-CB 3.26Å; L931-Q935 WeakPolarHBondContact O-CB 3.38Å; L931-Q935 PolarHBondContact O-N 2.96Å; L932-Q935 PolarHBondContact O-N 3.01Å; S933-Q935 PolarHBondContact O-N 2.99Å; Q935-W938 HydrophobicContact CB-CE3 4.5Å; Q935-W938 PolarHBondContact O-N 3.35Å; Q935-Q939 WeakPolarHBondContact O-CG 3.34Å; Q935-Q939 PolarHBondContact O-N 3.03Å |
| 936 | H | 85.9 | Confident | 72.7 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 172.3 | -64.9 | 155.7 | 0 | 0 | 0 | 111.7 | L932 S933 S934 W938 Q939 F940 | L932-H936 WeakPolarHBondContact O-CB 3.31Å; L932-H936 PolarHBondContact O-N 2.98Å; L932-H936 PolarHBondContact O-ND1 3.5Å; S933-H936 PolarHBondContact O-N 2.64Å; S934-H936 PolarHBondContact O-N 3.43Å; H936-W938 VanDerWaalsContact C-N 3.32Å; H936-W938 PolarHBondContact O-N 2.91Å; H936-Q939 PolarHBondContact O-N 3.06Å; H936-F940 WeakPolarHBondContact O-CB 3.48Å; H936-F940 PolarHBondContact O-N 3.19Å |
| 937 | Q | 86.8 | Confident | 74.9 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 173.5 | -172.2 | 64.1 | 57.4 | 0 | 0 | 111.4 | S933 S934 F940 N941 | S933-Q937 PolarHBondContact O-N 3.01Å; S934-Q937 WeakPolarHBondContact O-CB 3.22Å; S934-Q937 PolarHBondContact O-N 3.49Å; Q937-F940 PolarHBondContact O-N 2.76Å; Q937-N941 PolarHBondContact NE2-OD1 3.32Å; Q937-N941 WeakPolarHBondContact O-CB 3.39Å; Q937-N941 PolarHBondContact O-N 3.33Å; Q937-N941 PolarHBondContact O-ND2 3.32Å; Q937-N941 PolarHBondContact O-OD1 3.34Å |
| 938 | W | 89.2 | Confident | 77.4 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 21% | 0.212 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 176.2 | -53.4 | -16.4 | 0 | 0 | 0 | 111.9 | L774 P775 W777 C778 S934 Q935 H936 F940 N941 L942 | L774-W938 HydrophobicContact CD1-CB 4.06Å; L774-W938 HydrophobicContact CG-CB 3.99Å; L774-W938 HydrophobicContact CG-CE3 4.26Å; P775-W938 HydrophobicContact CB-CE3 4.16Å; P775-W938 HydrophobicContact CB-CH2 4.09Å; P775-W938 HydrophobicContact CB-CZ3 3.92Å; P775-W938 HydrophobicContact CG-CE3 4.08Å; P775-W938 HydrophobicContact CG-CH2 4.2Å; P775-W938 HydrophobicContact CG-CZ3 3.67Å; W777-W938 HydrophobicContact CB-CB 4.43Å; W777-W938 WeakPolarHBondContact CB-O 3.5Å; C778-W938 VanDerWaalsContact CA-CD1 3.45Å; S934-W938 PolarHBondContact O-N 3.41Å; S934-W938 PolarHBondContact O-NE1 2.85Å; Q935-W938 HydrophobicContact CB-CE3 4.5Å; Q935-W938 PolarHBondContact O-N 3.35Å; H936-W938 VanDerWaalsContact C-N 3.32Å; H936-W938 PolarHBondContact O-N 2.91Å; W938-F940 VanDerWaalsContact C-N 3.34Å; W938-N941 PolarHBondContact O-N 2.91Å; W938-L942 WeakPolarHBondContact O-CB 3.48Å; W938-L942 PolarHBondContact O-N 3.43Å |
| 939 | Q | 86.9 | Confident | 79.4 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 173.2 | -71.7 | 167.2 | 2.7 | 0 | 0 | 111.7 | L766 L774 Q935 H936 L942 L943 | L766-Q939 HydrophobicContact CD2-CB 4.19Å; L766-Q939 HydrophobicContact CD2-CG 4.36Å; L774-Q939 HydrophobicContact CD1-CG 3.91Å; L774-Q939 HydrophobicContact CD2-CG 3.91Å; Q935-Q939 WeakPolarHBondContact O-CG 3.34Å; Q935-Q939 PolarHBondContact O-N 3.03Å; H936-Q939 PolarHBondContact O-N 3.06Å; Q939-L942 PolarHBondContact O-N 3.36Å; Q939-L943 WeakPolarHBondContact O-CB 3.36Å; Q939-L943 PolarHBondContact O-N 2.76Å |
| 940 | F | 87.6 | Confident | 81.4 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 175.9 | -176.7 | -94.1 | 0 | 0 | 0 | 112.6 | H936 Q937 W938 L942 L943 T944 | H936-F940 WeakPolarHBondContact O-CB 3.48Å; H936-F940 PolarHBondContact O-N 3.19Å; Q937-F940 PolarHBondContact O-N 2.76Å; W938-F940 VanDerWaalsContact C-N 3.34Å; F940-L942 VanDerWaalsContact C-N 3.3Å; F940-L942 PolarHBondContact O-N 2.94Å; F940-L943 PolarHBondContact O-N 2.75Å; F940-T944 HydrophobicContact CD1-CG2 4.29Å; F940-T944 HydrophobicContact CE1-CG2 3.84Å; F940-T944 HydrophobicContact CE2-CG2 4.29Å; F940-T944 HydrophobicContact CZ-CG2 3.84Å; F940-T944 WeakPolarHBondContact O-CG2 3.42Å; F940-T944 PolarHBondContact O-N 3.46Å; F940-T944 PolarHBondContact O-OG1 2.66Å |
| 941 | N | 89.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.7 | -66.1 | -11.8 | 0 | 0 | 0 | 111.8 | W777 C778 Q779 Q937 W938 T944 H945 | W777-N941 HydrophobicContact CB-CB 4.35Å; W777-N941 VanDerWaalsContact O-CB 3.29Å; W777-N941 WeakPolarHBondContact O-CB 3.27Å; W777-N941 PolarHBondContact O-ND2 3.14Å; C778-N941 PolarHBondContact O-ND2 2.81Å; Q779-N941 VanDerWaalsContact C-ND2 3.25Å; Q779-N941 PolarHBondContact O-ND2 3.2Å; Q937-N941 PolarHBondContact NE2-OD1 3.32Å; Q937-N941 WeakPolarHBondContact O-CB 3.39Å; Q937-N941 PolarHBondContact O-N 3.33Å; Q937-N941 PolarHBondContact O-ND2 3.32Å; Q937-N941 PolarHBondContact O-OD1 3.34Å; W938-N941 PolarHBondContact O-N 2.91Å; N941-T944 PolarHBondContact O-OG1 3.27Å; N941-H945 WeakPolarHBondContact O-CB 3.46Å; N941-H945 PolarHBondContact O-N 3.33Å |
| 942 | L | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.9 | -38.1 | 173.7 | 176.5 | 53.3 | 0 | 0 | 0 | 112.3 | K762 I765 L766 L774 W777 W938 Q939 F940 H945 V946 | K762-L942 HydrophobicContact CB-CD1 3.94Å; K762-L942 HydrophobicContact CG-CD1 3.98Å; I765-L942 HydrophobicContact CB-CD2 3.91Å; I765-L942 HydrophobicContact CG2-CD2 3.52Å; L766-L942 HydrophobicContact CD1-CG 4.2Å; L766-L942 HydrophobicContact CD2-CB 4.04Å; L766-L942 HydrophobicContact CD2-CD2 3.7Å; L766-L942 HydrophobicContact CD2-CG 3.75Å; L766-L942 HydrophobicContact CG-CD2 3.66Å; L766-L942 HydrophobicContact CG-CG 3.77Å; L774-L942 HydrophobicContact CD1-CD2 4.06Å; W777-L942 HydrophobicContact CB-CB 4.13Å; W777-L942 HydrophobicContact CD2-CB 3.9Å; W777-L942 HydrophobicContact CD2-CD1 3.74Å; W777-L942 HydrophobicContact CD2-CG 4.28Å; W777-L942 HydrophobicContact CE3-CB 4.17Å; W777-L942 HydrophobicContact CE3-CD1 4.05Å; W777-L942 HydrophobicContact CG-CB 3.8Å; W777-L942 HydrophobicContact CG-CD1 4.29Å; W777-L942 HydrophobicContact CG-CD2 4.38Å; W777-L942 HydrophobicContact CG-CG 4.37Å; W777-L942 HydrophobicContact CH2-CD1 4.33Å; W777-L942 HydrophobicContact CZ2-CD1 3.98Å; W777-L942 HydrophobicContact CZ3-CD1 4.33Å; W938-L942 WeakPolarHBondContact O-CB 3.48Å; W938-L942 PolarHBondContact O-N 3.43Å; Q939-L942 PolarHBondContact O-N 3.36Å; F940-L942 VanDerWaalsContact C-N 3.3Å; F940-L942 PolarHBondContact O-N 2.94Å; L942-H945 PolarHBondContact O-N 2.81Å; L942-V946 HydrophobicContact CD1-CG2 4.16Å; L942-V946 WeakPolarHBondContact O-CB 3.35Å; L942-V946 VanDerWaalsContact O-CG2 3.3Å; L942-V946 WeakPolarHBondContact O-CG2 3.47Å; L942-V946 PolarHBondContact O-N 2.95Å |
| 943 | L | 89.2 | Confident | 85.8 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 178.9 | -175.5 | 63.1 | 0 | 0 | 0 | 111.8 | L766 Q939 F940 H945 V946 E947 | L766-L943 HydrophobicContact CD1-CD1 4.17Å; Q939-L943 WeakPolarHBondContact O-CB 3.36Å; Q939-L943 PolarHBondContact O-N 2.76Å; F940-L943 PolarHBondContact O-N 2.75Å; L943-H945 VanDerWaalsContact C-N 3.31Å; L943-H945 PolarHBondContact O-N 2.97Å; L943-V946 CarbonylContact O-C 3.59Å; L943-V946 WeakPolarHBondContact O-CA 3.42Å; L943-V946 WeakPolarHBondContact O-CB 3.33Å; L943-V946 PolarHBondContact O-N 2.72Å; L943-E947 WeakPolarHBondContact O-CB 3.31Å; L943-E947 PolarHBondContact O-N 2.94Å |
| 944 | T | 87.9 | Confident | 86.4 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 175.2 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | F940 N941 S948 | F940-T944 HydrophobicContact CD1-CG2 4.29Å; F940-T944 HydrophobicContact CE1-CG2 3.84Å; F940-T944 HydrophobicContact CE2-CG2 4.29Å; F940-T944 HydrophobicContact CZ-CG2 3.84Å; F940-T944 WeakPolarHBondContact O-CG2 3.42Å; F940-T944 PolarHBondContact O-N 3.46Å; F940-T944 PolarHBondContact O-OG1 2.66Å; N941-T944 PolarHBondContact O-OG1 3.27Å; T944-S948 WeakPolarHBondContact O-CB 3.21Å; T944-S948 PolarHBondContact O-N 3Å |
| 945 | H | 87.7 | Confident | 86.7 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 169 | 179.8 | 78.5 | 0 | 0 | 0 | 112.7 | K762 W777 W781 N941 L942 L943 S948 L949 | K762-H945 WeakPolarHBondContact CE-NE2 3.28Å; K762-H945 PolarHBondContact NZ-CD2 2.87Å; K762-H945 PolarHBondContact NZ-NE2 3.23Å; W777-H945 HydrophobicContact CE3-CB 4.33Å; W777-H945 HydrophobicContact CH2-CB 4.5Å; W777-H945 AromaticContact CH2-CD2 3.74Å; W777-H945 AromaticContact CH2-CG 3.88Å; W777-H945 HydrophobicContact CZ3-CB 3.71Å; W777-H945 AromaticContact CZ3-CD2 3.82Å; W777-H945 AromaticContact CZ3-CG 3.49Å; W777-H945 VanDerWaalsContact CZ3-CG 3.49Å; W781-H945 HydrophobicContact CB-CB 4Å; W781-H945 AromaticContact CD1-ND1 3.8Å; W781-H945 HydrophobicContact CD2-CB 4.41Å; W781-H945 AromaticContact CD2-CE1 3.83Å; W781-H945 AromaticContact CD2-ND1 2.98Å; W781-H945 AromaticContact CE2-CE1 3.35Å; W781-H945 AromaticContact CE2-ND1 3.16Å; W781-H945 AromaticContact CE3-CE1 3.86Å; W781-H945 AromaticContact CE3-ND1 3.26Å; W781-H945 VanDerWaalsContact CE3-ND1 3.26Å; W781-H945 HydrophobicContact CG-CB 4.02Å; W781-H945 AromaticContact CG-ND1 3.45Å; W781-H945 AromaticContact CH2-CE1 2.96Å; W781-H945 WeakPolarHBondContact CH2-CE1 3.23Å; W781-H945 AromaticContact CH2-ND1 3.83Å; W781-H945 AromaticContact CZ2-CE1 2.9Å; W781-H945 WeakPolarHBondContact CZ2-CE1 3.35Å; W781-H945 AromaticContact CZ2-ND1 3.59Å; W781-H945 AromaticContact CZ3-CE1 3.46Å; W781-H945 VanDerWaalsContact CZ3-CE1 3.46Å; W781-H945 WeakPolarHBondContact CZ3-CE1 3.48Å; W781-H945 AromaticContact CZ3-ND1 3.67Å; W781-H945 AromaticContact NE1-ND1 3.63Å; N941-H945 WeakPolarHBondContact O-CB 3.46Å; N941-H945 PolarHBondContact O-N 3.33Å; L942-H945 PolarHBondContact O-N 2.81Å; L943-H945 VanDerWaalsContact C-N 3.31Å; L943-H945 PolarHBondContact O-N 2.97Å; H945-S948 PolarHBondContact O-N 3.49Å; H945-L949 WeakPolarHBondContact NE2-CD1 2.95Å; H945-L949 WeakPolarHBondContact NE2-CG 3.42Å; H945-L949 WeakPolarHBondContact O-CG 3.49Å; H945-L949 PolarHBondContact O-N 2.78Å |
| 946 | V | 88.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -32.1 | 176.8 | 159.9 | 0 | 0 | 0 | 0 | 112.2 | L759 K762 M763 L766 L942 L943 Q950 | L759-V946 HydrophobicContact CD2-CB 4.36Å; L759-V946 HydrophobicContact CD2-CG1 4.02Å; L759-V946 HydrophobicContact CD2-CG2 4.29Å; K762-V946 HydrophobicContact CB-CG2 3.61Å; K762-V946 HydrophobicContact CD-CG2 4.15Å; K762-V946 HydrophobicContact CG-CG2 4.38Å; M763-V946 HydrophobicContact CE-CG1 3.8Å; L766-V946 HydrophobicContact CD1-CG2 4.37Å; L942-V946 HydrophobicContact CD1-CG2 4.16Å; L942-V946 WeakPolarHBondContact O-CB 3.35Å; L942-V946 VanDerWaalsContact O-CG2 3.3Å; L942-V946 WeakPolarHBondContact O-CG2 3.47Å; L942-V946 PolarHBondContact O-N 2.95Å; L943-V946 CarbonylContact O-C 3.59Å; L943-V946 WeakPolarHBondContact O-CA 3.42Å; L943-V946 WeakPolarHBondContact O-CB 3.33Å; L943-V946 PolarHBondContact O-N 2.72Å; V946-Q950 WeakPolarHBondContact O-CG 3.42Å; V946-Q950 PolarHBondContact O-N 2.83Å; V946-Q950 VanDerWaalsContact O-N 3.17Å; V946-Q950 PolarHBondContact O-NE2 2.86Å |
| 947 | E | 86.1 | Confident | 86.8 | Confident | 114 Ų | 114 | 52.5 Ų | 52.5 | 53% | 0.533 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.4 | -53.2 | 169.8 | -174.3 | 170 | -145.6 | 0 | 0 | 110.4 | L943 L949 Q950 D951 | L943-E947 WeakPolarHBondContact O-CB 3.31Å; L943-E947 PolarHBondContact O-N 2.94Å; E947-L949 PolarHBondContact O-N 2.94Å; E947-L949 VanDerWaalsContact O-N 3.12Å; E947-Q950 WeakPolarHBondContact O-CA 3.37Å; E947-Q950 WeakPolarHBondContact O-CB 3.44Å; E947-Q950 PolarHBondContact O-N 3.48Å; E947-D951 PolarHBondContact O-N 3.41Å |
| 948 | S | 87.2 | Confident | 86.7 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -29.9 | 176.8 | -170 | 0 | 0 | 0 | 0 | 114 | Q783 T944 H945 E952 | Q783-S948 PolarHBondContact NE2-OG 2.81Å; T944-S948 WeakPolarHBondContact O-CB 3.21Å; T944-S948 PolarHBondContact O-N 3Å; H945-S948 PolarHBondContact O-N 3.49Å; S948-E952 PolarHBondContact O-N 3.16Å |
| 949 | L | 84.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79.4 | -28.3 | 173.2 | -77.7 | -176.8 | 0 | 0 | 0 | 113.6 | V755 L759 K762 H945 E947 V953 | V755-L949 HydrophobicContact CG1-CB 4.22Å; V755-L949 HydrophobicContact CG1-CD1 4.42Å; V755-L949 HydrophobicContact CG1-CD2 3.99Å; V755-L949 HydrophobicContact CG1-CG 4.45Å; L759-L949 HydrophobicContact CD1-CB 4.47Å; L759-L949 HydrophobicContact CD2-CB 3.75Å; L759-L949 HydrophobicContact CD2-CD1 4.15Å; L759-L949 HydrophobicContact CG-CB 4.2Å; L759-L949 HydrophobicContact CG-CD1 4.37Å; K762-L949 HydrophobicContact CD-CD1 3.8Å; H945-L949 WeakPolarHBondContact NE2-CD1 2.95Å; H945-L949 WeakPolarHBondContact NE2-CG 3.42Å; H945-L949 WeakPolarHBondContact O-CG 3.49Å; H945-L949 PolarHBondContact O-N 2.78Å; E947-L949 PolarHBondContact O-N 2.94Å; E947-L949 VanDerWaalsContact O-N 3.12Å; L949-V953 WeakPolarHBondContact O-CG2 3.37Å; L949-V953 PolarHBondContact O-N 3.3Å |
| 950 | Q | 84.7 | Confident | 86.6 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -37.5 | 171.7 | -78.1 | 166.4 | 89.3 | 0 | 0 | 110.9 | L759 V946 E947 V953 T954 | L759-Q950 HydrophobicContact CD1-CG 4.41Å; L759-Q950 HydrophobicContact CD2-CG 4.47Å; V946-Q950 WeakPolarHBondContact O-CG 3.42Å; V946-Q950 PolarHBondContact O-N 2.83Å; V946-Q950 VanDerWaalsContact O-N 3.17Å; V946-Q950 PolarHBondContact O-NE2 2.86Å; E947-Q950 WeakPolarHBondContact O-CA 3.37Å; E947-Q950 WeakPolarHBondContact O-CB 3.44Å; E947-Q950 PolarHBondContact O-N 3.48Å; Q950-V953 PolarHBondContact O-N 3.06Å; Q950-T954 WeakPolarHBondContact O-CB 3.24Å; Q950-T954 PolarHBondContact O-N 3.41Å; Q950-T954 PolarHBondContact O-OG1 3.18Å |
| 951 | D | 85 | Confident | 86.4 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 173.2 | -67.9 | -22.8 | 0 | 0 | 0 | 111.6 | E947 T954 H955 | E947-D951 PolarHBondContact O-N 3.41Å; D951-T954 PolarHBondContact O-N 2.76Å; D951-H955 WeakPolarHBondContact O-CB 3.21Å; D951-H955 PolarHBondContact O-N 2.72Å |
| 952 | E | 86.4 | Confident | 86.2 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 173.3 | -174.5 | 178.5 | -174.9 | 0 | 0 | 111.6 | S948 T954 H955 R956 | S948-E952 PolarHBondContact O-N 3.16Å; E952-T954 VanDerWaalsContact C-N 3.31Å; E952-T954 PolarHBondContact O-N 3.14Å; E952-H955 PolarHBondContact O-N 3.39Å; E952-R956 HydrophobicContact CG-CG 4.19Å; E952-R956 VanDerWaalsContact O-CB 3.32Å; E952-R956 WeakPolarHBondContact O-CB 3.32Å; E952-R956 WeakPolarHBondContact O-CG 3.14Å; E952-R956 PolarHBondContact O-N 3.21Å |
| 953 | V | 86.3 | Confident | 86 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.9 | 167 | 0 | 0 | 0 | 0 | 111.4 | V752 V755 L759 L949 Q950 R956 M957 L1000 | V752-V953 HydrophobicContact CG1-CG1 4.41Å; V755-V953 HydrophobicContact CB-CG2 3.88Å; V755-V953 HydrophobicContact CG1-CG2 3.43Å; V755-V953 VanDerWaalsContact CG1-CG2 3.43Å; L759-V953 HydrophobicContact CD1-CG2 4.17Å; L949-V953 WeakPolarHBondContact O-CG2 3.37Å; L949-V953 PolarHBondContact O-N 3.3Å; Q950-V953 PolarHBondContact O-N 3.06Å; V953-R956 PolarHBondContact O-N 2.9Å; V953-M957 HydrophobicContact CG1-CG 4.4Å; V953-M957 HydrophobicContact CG1-SD 3.57Å; V953-M957 VanDerWaalsContact CG1-SD 3.57Å; V953-M957 WeakPolarHBondContact O-CB 3.45Å; V953-M957 VanDerWaalsContact O-CG 3.31Å; V953-M957 WeakPolarHBondContact O-CG 3.37Å; V953-M957 PolarHBondContact O-N 3.17Å; V953-L1000 HydrophobicContact CG1-CD2 4.34Å |
| 954 | T | 84.6 | Confident | 85.7 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -53.2 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | Q950 D951 E952 R956 M957 D958 L1000 | Q950-T954 WeakPolarHBondContact O-CB 3.24Å; Q950-T954 PolarHBondContact O-N 3.41Å; Q950-T954 PolarHBondContact O-OG1 3.18Å; D951-T954 PolarHBondContact O-N 2.76Å; E952-T954 VanDerWaalsContact C-N 3.31Å; E952-T954 PolarHBondContact O-N 3.14Å; T954-R956 VanDerWaalsContact C-N 3.3Å; T954-R956 PolarHBondContact O-N 3.39Å; T954-M957 PolarHBondContact O-N 2.95Å; T954-D958 PolarHBondContact O-N 2.97Å; T954-L1000 VanDerWaalsContact OG1-CD2 3.3Å; T954-L1000 WeakPolarHBondContact OG1-CD2 3.43Å |
| 955 | H | 86.3 | Confident | 85.4 | Confident | 129 Ų | 129 | 48.3 Ų | 48.3 | 60% | 0.597 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.7 | -34.3 | 178.9 | -177.4 | -86.7 | 0 | 0 | 0 | 112.8 | D951 E952 S959 | D951-H955 WeakPolarHBondContact O-CB 3.21Å; D951-H955 PolarHBondContact O-N 2.72Å; E952-H955 PolarHBondContact O-N 3.39Å; H955-S959 PolarHBondContact O-N 3.06Å |
| 956 | R | 86.4 | Confident | 85.2 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 173.7 | -74.6 | -74.1 | 177 | -163.2 | -8.6 | 112.1 | D748 V752 E952 V953 T954 D958 S959 I960 | D748-R956 WeakPolarHBondContact OD2-CD 3.28Å; D748-R956 IonicContact OD2-CZ 3.94Å; D748-R956 IonicContact OD2-NE 2.94Å; D748-R956 IonicContact OD2-NH1 3.16Å; D748-R956 PolarHBondContact OD2-NH1 3.1Å; V752-R956 HydrophobicContact CG2-CB 3.86Å; E952-R956 HydrophobicContact CG-CG 4.19Å; E952-R956 VanDerWaalsContact O-CB 3.32Å; E952-R956 WeakPolarHBondContact O-CB 3.32Å; E952-R956 WeakPolarHBondContact O-CG 3.14Å; E952-R956 PolarHBondContact O-N 3.21Å; V953-R956 PolarHBondContact O-N 2.9Å; T954-R956 VanDerWaalsContact C-N 3.3Å; T954-R956 PolarHBondContact O-N 3.39Å; R956-D958 VanDerWaalsContact C-N 3.33Å; R956-D958 PolarHBondContact O-N 3.23Å; R956-S959 WeakPolarHBondContact O-CB 3.47Å; R956-S959 PolarHBondContact O-N 3.17Å; R956-S959 VanDerWaalsContact O-N 3.09Å; R956-I960 VanDerWaalsContact O-CG1 3.32Å; R956-I960 WeakPolarHBondContact O-CG1 3.34Å; R956-I960 PolarHBondContact O-N 2.91Å |
| 957 | M | 83.6 | Confident | 84.7 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 175.9 | -73.9 | 169 | 49.9 | 0 | 0 | 111.7 | V752 V953 T954 S959 I960 E961 L996 L997 L1000 | V752-M957 HydrophobicContact CG1-CG 4.38Å; V752-M957 HydrophobicContact CG1-SD 4.44Å; V752-M957 HydrophobicContact CG2-CG 4.38Å; V953-M957 HydrophobicContact CG1-CG 4.4Å; V953-M957 HydrophobicContact CG1-SD 3.57Å; V953-M957 VanDerWaalsContact CG1-SD 3.57Å; V953-M957 WeakPolarHBondContact O-CB 3.45Å; V953-M957 VanDerWaalsContact O-CG 3.31Å; V953-M957 WeakPolarHBondContact O-CG 3.37Å; V953-M957 PolarHBondContact O-N 3.17Å; T954-M957 PolarHBondContact O-N 2.95Å; M957-S959 VanDerWaalsContact C-N 3.3Å; M957-S959 PolarHBondContact O-N 2.91Å; M957-I960 PolarHBondContact O-N 3.21Å; M957-E961 PolarHBondContact O-N 3.41Å; M957-L996 HydrophobicContact CE-CB 3.61Å; M957-L997 HydrophobicContact CB-CD1 4.49Å; M957-L997 HydrophobicContact CB-CD2 3.57Å; M957-L997 HydrophobicContact CB-CG 4.02Å; M957-L997 HydrophobicContact CE-CB 4.5Å; M957-L997 HydrophobicContact CE-CD2 3.94Å; M957-L997 HydrophobicContact CE-CG 3.85Å; M957-L1000 HydrophobicContact CE-CD2 4.49Å; M957-L1000 HydrophobicContact SD-CD2 4.39Å |
| 958 | D | 85.2 | Confident | 84.3 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.3 | -28.4 | 170.3 | -82.8 | -0.5 | 0 | 0 | 0 | 113.5 | T954 R956 K962 L997 | T954-D958 PolarHBondContact O-N 2.97Å; R956-D958 VanDerWaalsContact C-N 3.33Å; R956-D958 PolarHBondContact O-N 3.23Å; D958-K962 WeakPolarHBondContact O-CD 3.47Å; D958-K962 WeakPolarHBondContact O-CE 3.38Å; D958-K962 VanDerWaalsContact O-CG 3.29Å; D958-K962 WeakPolarHBondContact O-CG 3.44Å; D958-K962 PolarHBondContact O-NZ 3.02Å; D958-L997 WeakPolarHBondContact OD1-CD2 3.48Å |
| 959 | S | 85.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75 | -45.5 | 172.9 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | H955 R956 M957 E961 K962 E963 | H955-S959 PolarHBondContact O-N 3.06Å; R956-S959 WeakPolarHBondContact O-CB 3.47Å; R956-S959 PolarHBondContact O-N 3.17Å; R956-S959 VanDerWaalsContact O-N 3.09Å; M957-S959 VanDerWaalsContact C-N 3.3Å; M957-S959 PolarHBondContact O-N 2.91Å; S959-E961 VanDerWaalsContact C-N 3.29Å; S959-E961 PolarHBondContact O-N 3.05Å; S959-K962 WeakPolarHBondContact O-CB 3.45Å; S959-K962 PolarHBondContact O-N 3.34Å; S959-E963 PolarHBondContact O-N 2.88Å; S959-E963 PolarHBondContact OG-OE1 3.33Å |
| 960 | I | 87.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -39 | 177.3 | -70.1 | 163.2 | 0 | 0 | 0 | 111.3 | L745 D748 V749 V752 R956 M957 K962 E963 L964 I993 | L745-I960 HydrophobicContact CD1-CB 4.49Å; L745-I960 HydrophobicContact CD1-CG2 3.64Å; D748-I960 HydrophobicContact CB-CD1 4Å; D748-I960 HydrophobicContact CB-CG1 3.74Å; V749-I960 HydrophobicContact CG2-CD1 4.13Å; V749-I960 HydrophobicContact CG2-CG2 4.36Å; V752-I960 HydrophobicContact CG2-CD1 3.84Å; R956-I960 VanDerWaalsContact O-CG1 3.32Å; R956-I960 WeakPolarHBondContact O-CG1 3.34Å; R956-I960 PolarHBondContact O-N 2.91Å; M957-I960 PolarHBondContact O-N 3.21Å; I960-K962 PolarHBondContact O-N 3.49Å; I960-E963 PolarHBondContact O-N 2.97Å; I960-L964 HydrophobicContact CG2-CD1 4.07Å; I960-L964 WeakPolarHBondContact O-CB 3.29Å; I960-L964 VanDerWaalsContact O-CG 3.31Å; I960-L964 WeakPolarHBondContact O-CG 3.26Å; I960-L964 PolarHBondContact O-N 3.37Å; I960-I993 HydrophobicContact CG2-CD1 3.44Å; I960-I993 VanDerWaalsContact CG2-CD1 3.44Å |
| 961 | E | 83.6 | Confident | 82.5 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 174.6 | -172.5 | 172 | 157.6 | 0 | 0 | 112 | M957 S959 L964 D965 K994 L997 | M957-E961 PolarHBondContact O-N 3.41Å; S959-E961 VanDerWaalsContact C-N 3.29Å; S959-E961 PolarHBondContact O-N 3.05Å; E961-L964 PolarHBondContact O-N 3.31Å; E961-D965 PolarHBondContact O-N 2.85Å; E961-K994 WeakPolarHBondContact OE1-CE 2.99Å; E961-K994 IonicContact OE1-NZ 3.48Å; E961-K994 PolarHBondContact OE1-NZ 3.13Å; E961-L997 VanDerWaalsContact OE2-CD1 3.22Å; E961-L997 WeakPolarHBondContact OE2-CD1 3.48Å |
| 962 | K | 85.4 | Confident | 81.2 | Confident | 118 Ų | 118 | 54.4 Ų | 54.4 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 177.2 | -63.8 | 166.3 | -168.6 | 114.7 | 0 | 112.2 | D958 S959 I960 L964 D965 V966 | D958-K962 WeakPolarHBondContact O-CD 3.47Å; D958-K962 WeakPolarHBondContact O-CE 3.38Å; D958-K962 VanDerWaalsContact O-CG 3.29Å; D958-K962 WeakPolarHBondContact O-CG 3.44Å; D958-K962 PolarHBondContact O-NZ 3.02Å; S959-K962 WeakPolarHBondContact O-CB 3.45Å; S959-K962 PolarHBondContact O-N 3.34Å; I960-K962 PolarHBondContact O-N 3.49Å; K962-L964 VanDerWaalsContact C-N 3.34Å; K962-D965 PolarHBondContact O-N 3.21Å; K962-V966 WeakPolarHBondContact O-CG2 3.39Å; K962-V966 PolarHBondContact O-N 2.87Å |
| 963 | E | 84.3 | Confident | 79.6 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 173.8 | -73 | 169.8 | -136.5 | 0 | 0 | 111.6 | L745 S959 I960 V966 L967 | L745-E963 WeakPolarHBondContact CA-OE2 3.34Å; L745-E963 PolarHBondContact N-OE2 2.9Å; S959-E963 PolarHBondContact O-N 2.88Å; S959-E963 PolarHBondContact OG-OE1 3.33Å; I960-E963 PolarHBondContact O-N 2.97Å; E963-V966 PolarHBondContact O-N 2.9Å; E963-L967 WeakPolarHBondContact O-CG 3.38Å; E963-L967 PolarHBondContact O-N 2.84Å |
| 964 | L | 82.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 172.1 | -73.3 | 169.2 | 0 | 0 | 0 | 112.7 | L745 I960 E961 K962 V966 L967 E968 L986 L989 I993 | L745-L964 HydrophobicContact CD1-CD2 4.27Å; L745-L964 HydrophobicContact CD1-CG 4.13Å; L745-L964 HydrophobicContact CD2-CD2 3.67Å; L745-L964 HydrophobicContact CD2-CG 4.37Å; I960-L964 HydrophobicContact CG2-CD1 4.07Å; I960-L964 WeakPolarHBondContact O-CB 3.29Å; I960-L964 VanDerWaalsContact O-CG 3.31Å; I960-L964 WeakPolarHBondContact O-CG 3.26Å; I960-L964 PolarHBondContact O-N 3.37Å; E961-L964 PolarHBondContact O-N 3.31Å; K962-L964 VanDerWaalsContact C-N 3.34Å; L964-V966 VanDerWaalsContact C-N 3.34Å; L964-L967 PolarHBondContact O-N 3.46Å; L964-E968 VanDerWaalsContact O-CB 3.3Å; L964-E968 WeakPolarHBondContact O-CB 3.42Å; L964-E968 PolarHBondContact O-N 2.65Å; L964-L986 HydrophobicContact CD2-CD1 4.21Å; L964-L986 HydrophobicContact CD2-CD2 4.19Å; L964-L986 HydrophobicContact CD2-CG 3.89Å; L964-L989 HydrophobicContact CD1-CD2 4.38Å; L964-L989 HydrophobicContact CD1-CG 4.19Å; L964-L989 HydrophobicContact CD2-CD2 3.99Å; L964-I993 HydrophobicContact CD1-CD1 3.82Å |
| 965 | D | 81.8 | Confident | 76.3 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 172 | -78.1 | -11.2 | 0 | 0 | 0 | 111.7 | E961 K962 E968 S969 K990 | E961-D965 PolarHBondContact O-N 2.85Å; K962-D965 PolarHBondContact O-N 3.21Å; D965-E968 PolarHBondContact O-N 2.55Å; D965-S969 WeakPolarHBondContact O-CB 3.39Å; D965-S969 PolarHBondContact O-N 3.2Å; D965-K990 WeakPolarHBondContact OD1-CE 3.45Å; D965-K990 IonicContact OD1-NZ 3.7Å; D965-K990 PolarHBondContact OD1-NZ 3.12Å |
| 966 | V | 82.8 | Confident | 74.5 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 40% | 0.4 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | K962 E963 L964 E968 S969 W970 | K962-V966 WeakPolarHBondContact O-CG2 3.39Å; K962-V966 PolarHBondContact O-N 2.87Å; E963-V966 PolarHBondContact O-N 2.9Å; L964-V966 VanDerWaalsContact C-N 3.34Å; V966-E968 PolarHBondContact O-N 3.09Å; V966-S969 WeakPolarHBondContact O-CB 3.36Å; V966-S969 PolarHBondContact O-N 3.17Å; V966-S969 PolarHBondContact O-OG 3.31Å; V966-W970 HydrophobicContact CG1-CD2 4.31Å; V966-W970 HydrophobicContact CG1-CH2 3.74Å; V966-W970 HydrophobicContact CG1-CZ2 3.44Å; V966-W970 VanDerWaalsContact CG1-CZ2 3.44Å; V966-W970 HydrophobicContact CG1-CZ3 4.27Å; V966-W970 PolarHBondContact O-N 3.2Å |
| 967 | L | 78.3 | Confident | 72.6 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 177.1 | -73.9 | 166.3 | 0 | 0 | 0 | 112.5 | A741 L745 E963 L964 W970 L986 | A741-L967 HydrophobicContact CB-CD2 3.87Å; A741-L967 HydrophobicContact CB-CG 4.31Å; L745-L967 HydrophobicContact CB-CD1 4.46Å; L745-L967 HydrophobicContact CD2-CD1 3.56Å; E963-L967 WeakPolarHBondContact O-CG 3.38Å; E963-L967 PolarHBondContact O-N 2.84Å; L964-L967 PolarHBondContact O-N 3.46Å; L967-W970 HydrophobicContact CD2-CE3 3.98Å; L967-W970 HydrophobicContact CD2-CZ3 4.06Å; L967-W970 PolarHBondContact O-N 2.58Å; L967-L986 HydrophobicContact CB-CD1 3.89Å |
| 968 | E | 78.2 | Confident | 71.1 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68 | -34.6 | 174.4 | -165.5 | 166.7 | -128.9 | 0 | 0 | 111.6 | L964 D965 V966 W970 L971 Y973 L986 K990 | L964-E968 VanDerWaalsContact O-CB 3.3Å; L964-E968 WeakPolarHBondContact O-CB 3.42Å; L964-E968 PolarHBondContact O-N 2.65Å; D965-E968 PolarHBondContact O-N 2.55Å; V966-E968 PolarHBondContact O-N 3.09Å; E968-W970 PolarHBondContact O-N 3.46Å; E968-L971 WeakPolarHBondContact O-CB 3.3Å; E968-L971 PolarHBondContact O-N 3.31Å; E968-L971 VanDerWaalsContact O-N 3.09Å; E968-Y973 VanDerWaalsContact CD-OH 3.26Å; E968-Y973 HydrophobicContact CG-CE2 4.47Å; E968-Y973 WeakPolarHBondContact CG-OH 3.4Å; E968-Y973 PolarHBondContact OE1-OH 3.48Å; E968-Y973 VanDerWaalsContact OE1-OH 3.13Å; E968-L986 HydrophobicContact CB-CD2 3.85Å; E968-L986 HydrophobicContact CG-CD2 4.26Å; E968-K990 WeakPolarHBondContact OE2-CD 3.39Å; E968-K990 IonicContact OE2-NZ 3.26Å; E968-K990 PolarHBondContact OE2-NZ 3.14Å |
| 969 | S | 79.2 | Confident | 69.6 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 58% | 0.58 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.1 | 172.3 | 83 | 0 | 0 | 0 | 0 | 114.3 | D965 V966 | D965-S969 WeakPolarHBondContact O-CB 3.39Å; D965-S969 PolarHBondContact O-N 3.2Å; V966-S969 WeakPolarHBondContact O-CB 3.36Å; V966-S969 PolarHBondContact O-N 3.17Å; V966-S969 PolarHBondContact O-OG 3.31Å |
| 970 | W | 71.6 | Confident | 68.2 | Low | 78 Ų | 78 | 80 Ų | 80 | 30% | 0.295 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 9.2 | 175.6 | -60.8 | -15.8 | 0 | 0 | 0 | 113.5 | K737 K738 A741 V966 L967 E968 | K737-W970 HydrophobicContact CB-CH2 3.94Å; K737-W970 HydrophobicContact CB-CZ2 4.45Å; K737-W970 HydrophobicContact CB-CZ3 4.4Å; K737-W970 WeakPolarHBondContact O-CZ3 3.2Å; K738-W970 HydrophobicContact CB-CE3 4.33Å; K738-W970 HydrophobicContact CB-CZ3 4.48Å; K738-W970 HydrophobicContact CD-CB 4.5Å; K738-W970 HydrophobicContact CG-CD2 4.49Å; K738-W970 HydrophobicContact CG-CE3 3.79Å; K738-W970 HydrophobicContact CG-CZ3 4.26Å; K738-W970 PolarHBondContact NZ-O 2.99Å; A741-W970 HydrophobicContact CB-CH2 4.11Å; A741-W970 HydrophobicContact CB-CZ3 3.73Å; V966-W970 HydrophobicContact CG1-CD2 4.31Å; V966-W970 HydrophobicContact CG1-CH2 3.74Å; V966-W970 HydrophobicContact CG1-CZ2 3.44Å; V966-W970 VanDerWaalsContact CG1-CZ2 3.44Å; V966-W970 HydrophobicContact CG1-CZ3 4.27Å; V966-W970 PolarHBondContact O-N 3.2Å; L967-W970 HydrophobicContact CD2-CE3 3.98Å; L967-W970 HydrophobicContact CD2-CZ3 4.06Å; L967-W970 PolarHBondContact O-N 2.58Å; E968-W970 PolarHBondContact O-N 3.46Å |
| 971 | L | 68.6 | Low | 66.2 | Low | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.188 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -97.3 | 103.1 | 167.1 | -63.5 | 176.3 | 0 | 0 | 0 | 108.7 | E968 Y973 L983 | E968-L971 WeakPolarHBondContact O-CB 3.3Å; E968-L971 PolarHBondContact O-N 3.31Å; E968-L971 VanDerWaalsContact O-N 3.09Å; L971-Y973 VanDerWaalsContact O-CD2 3.27Å; L971-Y973 WeakPolarHBondContact O-CD2 3.47Å; L971-Y973 PolarHBondContact O-N 2.91Å; L971-L983 HydrophobicContact CD2-CB 4.31Å; L971-L983 HydrophobicContact CD2-CD1 4.13Å |
| 972 | D | 56.6 | Low | 64.8 | Low | 132 Ų | 132 | 89.2 Ų | 89.2 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | trans | -66.1 | 104.5 | 175 | -69.7 | -63.9 | 0 | 0 | 0 | 110.5 | T974 | D972-T974 HydrophobicContact CB-CG2 4.18Å; D972-T974 PolarHBondContact O-N 3.34Å | ||
| 973 | Y | 53.6 | Low | 63.5 | Low | 172 Ų | 172 | 86.8 Ų | 86.8 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 33.2 | 172.3 | -61.6 | -88.7 | 0 | 0 | 0 | 112.8 | E968 L971 G975 | E968-Y973 VanDerWaalsContact CD-OH 3.26Å; E968-Y973 HydrophobicContact CG-CE2 4.47Å; E968-Y973 WeakPolarHBondContact CG-OH 3.4Å; E968-Y973 PolarHBondContact OE1-OH 3.48Å; E968-Y973 VanDerWaalsContact OE1-OH 3.13Å; L971-Y973 VanDerWaalsContact O-CD2 3.27Å; L971-Y973 WeakPolarHBondContact O-CD2 3.47Å; L971-Y973 PolarHBondContact O-N 2.91Å; Y973-G975 PolarHBondContact O-N 2.98Å |
| 974 | T | 49.9 | Very low | 62.5 | Low | 107 Ų | 107 | 86.5 Ų | 86.5 | 66% | 0.656 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19 | 176 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | D972 E976 | D972-T974 HydrophobicContact CB-CG2 4.18Å; D972-T974 PolarHBondContact O-N 3.34Å; T974-E976 VanDerWaalsContact C-N 3.33Å; T974-E976 PolarHBondContact O-N 3.13Å |
| 975 | G | 51.2 | Low | 61.8 | Low | 70 Ų | 70 | 93.7 Ų | 93.7 | 72% | 0.722 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 81.6 | 3.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y973 | Y973-G975 PolarHBondContact O-N 2.98Š|
| 976 | E | 47.8 | Very low | 61.2 | Low | 176 Ų | 176 | 91.1 Ų | 91.1 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -84.3 | -20.3 | -179.7 | -61.4 | -165.4 | 136.4 | 0 | 0 | 113.7 | T974 | T974-E976 VanDerWaalsContact C-N 3.33Å; T974-E976 PolarHBondContact O-N 3.13Å |
| 977 | L | 46.3 | Very low | 60.7 | Low | 149 Ų | 149 | 90.9 Ų | 90.9 | 78% | 0.78 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -138.2 | 142 | 177.3 | -67.8 | 174.7 | 0 | 0 | 0 | 111.6 | ||
| 978 | E | 52.3 | Low | 60.6 | Low | 173 Ų | 173 | 95.5 Ų | 95.5 | 81% | 0.808 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 131 | 171.8 | -171.3 | 173.4 | -171.3 | 0 | 0 | 109.7 | ||
| 979 | P | 55.3 | Low | 60.5 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 34% | 0.338 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 130.1 | -176.2 | 24.1 | -33.1 | 0 | 0 | 0 | 110.7 | E981 L983 A984 | P979-E981 PolarHBondContact O-N 3.09Å; P979-L983 HydrophobicContact CB-CB 4.33Å; P979-A984 HydrophobicContact CG-CB 4.17Å |
| 980 | P | 56.1 | Low | 60.3 | Low | 79 Ų | 79 | 95.2 Ų | 95.2 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 127.6 | -170.2 | 24.3 | -34.2 | 0 | 0 | 0 | 111.2 | P982 L983 | P980-P982 VanDerWaalsContact O-N 3.09Å; P980-L983 HydrophobicContact CG-CD1 4.38Å; P980-L983 WeakPolarHBondContact O-CB 3.08Å; P980-L983 PolarHBondContact O-N 2.86Å |
| 981 | E | 44.1 | Very low | 60.7 | Low | 138 Ų | 138 | 97.4 Ų | 97.4 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 114.7 | 176.8 | -169.3 | 171.8 | -138.3 | 0 | 0 | 109.1 | P979 R985 | P979-E981 PolarHBondContact O-N 3.09Å; E981-R985 IonicContact OE1-CZ 2.7Å; E981-R985 IonicContact OE1-NE 2.58Å; E981-R985 PolarHBondContact OE1-NE 3.36Å; E981-R985 IonicContact OE1-NH2 2.92Å; E981-R985 PolarHBondContact OE1-NH2 3.47Å |
| 982 | P | 55.1 | Low | 61.3 | Low | 96 Ų | 96 | 99 Ų | 99 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -100.4 | -5.5 | 38.8 | 37.6 | -38.4 | 0 | 0 | 0 | 117.8 | P980 A984 R985 | P980-P982 VanDerWaalsContact O-N 3.09Å; P982-A984 VanDerWaalsContact C-N 3.25Å; P982-A984 PolarHBondContact O-N 2.82Å; P982-R985 WeakPolarHBondContact O-CB 3.3Å; P982-R985 PolarHBondContact O-N 3.42Å |
| 983 | L | 57.9 | Low | 62.3 | Low | 66 Ų | 66 | 93.5 Ų | 93.5 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -64.4 | -27.9 | -172.6 | -65.5 | 174.3 | 0 | 0 | 0 | 113.2 | L971 P979 P980 R985 L986 | L971-L983 HydrophobicContact CD2-CB 4.31Å; L971-L983 HydrophobicContact CD2-CD1 4.13Å; P979-L983 HydrophobicContact CB-CB 4.33Å; P980-L983 HydrophobicContact CG-CD1 4.38Å; P980-L983 WeakPolarHBondContact O-CB 3.08Å; P980-L983 PolarHBondContact O-N 2.86Å; L983-R985 PolarHBondContact O-N 3Å; L983-L986 HydrophobicContact CD2-CD1 4.48Å; L983-L986 VanDerWaalsContact O-CB 3.27Å; L983-L986 WeakPolarHBondContact O-CB 3.13Å; L983-L986 PolarHBondContact O-N 3.18Å |
| 984 | A | 62.3 | Low | 63.5 | Low | 32 Ų | 32 | 89.2 Ų | 89.2 | 26% | 0.264 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -58.2 | -8.5 | 168 | 0 | 0 | 0 | 0 | 0 | 115.2 | P979 P982 Q988 | P979-A984 HydrophobicContact CG-CB 4.17Å; P982-A984 VanDerWaalsContact C-N 3.25Å; P982-A984 PolarHBondContact O-N 2.82Å; A984-Q988 PolarHBondContact O-NE2 2.97Å; A984-Q988 PolarHBondContact O-OE1 3.14Å; A984-Q988 VanDerWaalsContact O-OE1 3.13Å |
| 985 | R | 68.8 | Low | 65.1 | Low | 151 Ų | 151 | 88.1 Ų | 88.1 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -102.6 | -2.5 | 176.4 | -55.2 | -174.3 | -179.3 | -160.2 | 1.9 | 113.7 | E981 P982 L983 Q988 L989 | E981-R985 IonicContact OE1-CZ 2.7Å; E981-R985 IonicContact OE1-NE 2.58Å; E981-R985 PolarHBondContact OE1-NE 3.36Å; E981-R985 IonicContact OE1-NH2 2.92Å; E981-R985 PolarHBondContact OE1-NH2 3.47Å; P982-R985 WeakPolarHBondContact O-CB 3.3Å; P982-R985 PolarHBondContact O-N 3.42Å; L983-R985 PolarHBondContact O-N 3Å; R985-Q988 PolarHBondContact O-N 2.7Å; R985-Q988 PolarHBondContact O-OE1 2.79Å; R985-L989 PolarHBondContact O-N 2.9Å |
| 986 | L | 69 | Low | 66.5 | Low | 13 Ų | 13 | 89.6 Ų | 89.6 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | -177.1 | -166.7 | 154.4 | 0 | 0 | 0 | 112.8 | L964 L967 E968 L983 Q988 L989 K990 | L964-L986 HydrophobicContact CD2-CD1 4.21Å; L964-L986 HydrophobicContact CD2-CD2 4.19Å; L964-L986 HydrophobicContact CD2-CG 3.89Å; L967-L986 HydrophobicContact CB-CD1 3.89Å; E968-L986 HydrophobicContact CB-CD2 3.85Å; E968-L986 HydrophobicContact CG-CD2 4.26Å; L983-L986 HydrophobicContact CD2-CD1 4.48Å; L983-L986 VanDerWaalsContact O-CB 3.27Å; L983-L986 WeakPolarHBondContact O-CB 3.13Å; L983-L986 PolarHBondContact O-N 3.18Å; L986-Q988 VanDerWaalsContact C-N 3.3Å; L986-Q988 PolarHBondContact O-N 2.89Å; L986-L989 PolarHBondContact O-N 2.92Å; L986-K990 WeakPolarHBondContact O-CB 3.5Å; L986-K990 PolarHBondContact O-N 3.45Å |
| 987 | P | 73.7 | Confident | 67.9 | Low | 61 Ų | 61 | 82.4 Ų | 82.4 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 174.8 | -25.1 | 35.5 | 0 | 0 | 0 | 113.6 | H991 | P987-H991 WeakPolarHBondContact O-CB 3.4Å; P987-H991 PolarHBondContact O-N 3.44Å |
| 988 | Q | 75.2 | Confident | 69.6 | Low | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 177.3 | -60.8 | 85.6 | -30.8 | 0 | 0 | 110.5 | A984 R985 L986 H991 C992 | A984-Q988 PolarHBondContact O-NE2 2.97Å; A984-Q988 PolarHBondContact O-OE1 3.14Å; A984-Q988 VanDerWaalsContact O-OE1 3.13Å; R985-Q988 PolarHBondContact O-N 2.7Å; R985-Q988 PolarHBondContact O-OE1 2.79Å; L986-Q988 VanDerWaalsContact C-N 3.3Å; L986-Q988 PolarHBondContact O-N 2.89Å; Q988-H991 PolarHBondContact O-N 2.88Å; Q988-C992 PolarHBondContact O-N 3.31Å; Q988-C992 PolarHBondContact O-SG 3.07Å; Q988-C992 VanDerWaalsContact O-SG 3.38Å |
| 989 | L | 75.1 | Confident | 70.8 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 173.3 | 178 | 60.3 | 0 | 0 | 0 | 111.2 | L964 R985 L986 H991 C992 I993 | L964-L989 HydrophobicContact CD1-CD2 4.38Å; L964-L989 HydrophobicContact CD1-CG 4.19Å; L964-L989 HydrophobicContact CD2-CD2 3.99Å; R985-L989 PolarHBondContact O-N 2.9Å; L986-L989 PolarHBondContact O-N 2.92Å; L989-H991 VanDerWaalsContact C-N 3.33Å; L989-H991 PolarHBondContact O-N 3.29Å; L989-C992 WeakPolarHBondContact O-CB 3.13Å; L989-C992 PolarHBondContact O-N 3.1Å; L989-C992 VanDerWaalsContact O-N 3.12Å; L989-I993 HydrophobicContact CD1-CD1 4.03Å; L989-I993 HydrophobicContact CD1-CG1 4.3Å; L989-I993 HydrophobicContact CG-CD1 4.27Å; L989-I993 WeakPolarHBondContact O-CG1 3.48Å; L989-I993 PolarHBondContact O-N 3.43Å |
| 990 | K | 76.1 | Confident | 71.8 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 15% | 0.148 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.3 | 178.3 | 169.5 | 169.6 | 172.6 | 0 | 112.1 | D965 E968 L986 I993 K994 | D965-K990 WeakPolarHBondContact OD1-CE 3.45Å; D965-K990 IonicContact OD1-NZ 3.7Å; D965-K990 PolarHBondContact OD1-NZ 3.12Å; E968-K990 WeakPolarHBondContact OE2-CD 3.39Å; E968-K990 IonicContact OE2-NZ 3.26Å; E968-K990 PolarHBondContact OE2-NZ 3.14Å; L986-K990 WeakPolarHBondContact O-CB 3.5Å; L986-K990 PolarHBondContact O-N 3.45Å; K990-I993 PolarHBondContact O-N 3.17Å; K990-K994 HydrophobicContact CG-CD 4.41Å; K990-K994 WeakPolarHBondContact O-CB 3.36Å; K990-K994 WeakPolarHBondContact O-CG 3.46Å; K990-K994 PolarHBondContact O-N 2.97Å |
| 991 | H | 79.8 | Confident | 72.6 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 172.4 | -177.1 | -69.6 | 0 | 0 | 0 | 112.3 | P987 Q988 L989 I993 Q995 | P987-H991 WeakPolarHBondContact O-CB 3.4Å; P987-H991 PolarHBondContact O-N 3.44Å; Q988-H991 PolarHBondContact O-N 2.88Å; L989-H991 VanDerWaalsContact C-N 3.33Å; L989-H991 PolarHBondContact O-N 3.29Å; H991-I993 VanDerWaalsContact C-N 3.34Å; H991-I993 PolarHBondContact O-N 3.34Å; H991-Q995 WeakPolarHBondContact O-CB 3.05Å; H991-Q995 PolarHBondContact O-N 2.79Å |
| 992 | C | 81.4 | Confident | 74.2 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 48% | 0.48 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.2 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | Q988 L989 Q995 L996 | Q988-C992 PolarHBondContact O-N 3.31Å; Q988-C992 PolarHBondContact O-SG 3.07Å; Q988-C992 VanDerWaalsContact O-SG 3.38Å; L989-C992 WeakPolarHBondContact O-CB 3.13Å; L989-C992 PolarHBondContact O-N 3.1Å; L989-C992 VanDerWaalsContact O-N 3.12Å; C992-Q995 PolarHBondContact O-N 2.91Å; C992-L996 WeakPolarHBondContact O-CG 3.17Å; C992-L996 PolarHBondContact O-N 3.23Å |
| 993 | I | 77.9 | Confident | 75.1 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.4 | -42.4 | 179.4 | -66 | -176.6 | 0 | 0 | 0 | 111.5 | I960 L964 L989 K990 H991 Q995 L996 L997 | I960-I993 HydrophobicContact CG2-CD1 3.44Å; I960-I993 VanDerWaalsContact CG2-CD1 3.44Å; L964-I993 HydrophobicContact CD1-CD1 3.82Å; L989-I993 HydrophobicContact CD1-CD1 4.03Å; L989-I993 HydrophobicContact CD1-CG1 4.3Å; L989-I993 HydrophobicContact CG-CD1 4.27Å; L989-I993 WeakPolarHBondContact O-CG1 3.48Å; L989-I993 PolarHBondContact O-N 3.43Å; K990-I993 PolarHBondContact O-N 3.17Å; H991-I993 VanDerWaalsContact C-N 3.34Å; H991-I993 PolarHBondContact O-N 3.34Å; I993-Q995 VanDerWaalsContact C-N 3.26Å; I993-Q995 PolarHBondContact O-N 2.67Å; I993-L996 PolarHBondContact O-N 3.48Å; I993-L996 VanDerWaalsContact O-N 3.13Å; I993-L997 HydrophobicContact CG2-CD1 4.27Å; I993-L997 PolarHBondContact O-N 2.86Å |
| 994 | K | 78.1 | Confident | 75.7 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.8 | -40.6 | 170.1 | -75.4 | 174 | -178 | -69.9 | 0 | 112.3 | E961 K990 T998 | E961-K994 WeakPolarHBondContact OE1-CE 2.99Å; E961-K994 IonicContact OE1-NZ 3.48Å; E961-K994 PolarHBondContact OE1-NZ 3.13Å; K990-K994 HydrophobicContact CG-CD 4.41Å; K990-K994 WeakPolarHBondContact O-CB 3.36Å; K990-K994 WeakPolarHBondContact O-CG 3.46Å; K990-K994 PolarHBondContact O-N 2.97Å; K994-T998 VanDerWaalsContact O-CB 3.3Å; K994-T998 WeakPolarHBondContact O-CB 3.43Å; K994-T998 PolarHBondContact O-N 3.32Å; K994-T998 PolarHBondContact O-OG1 2.94Å |
| 995 | Q | 84.8 | Confident | 76.2 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.8 | -176.8 | 64.1 | 50.2 | 0 | 0 | 111.5 | H991 C992 I993 T998 D999 | H991-Q995 WeakPolarHBondContact O-CB 3.05Å; H991-Q995 PolarHBondContact O-N 2.79Å; C992-Q995 PolarHBondContact O-N 2.91Å; I993-Q995 VanDerWaalsContact C-N 3.26Å; I993-Q995 PolarHBondContact O-N 2.67Å; Q995-T998 WeakPolarHBondContact O-CB 3.38Å; Q995-T998 PolarHBondContact O-N 3.24Å; Q995-D999 VanDerWaalsContact NE2-CG 3.3Å; Q995-D999 PolarHBondContact NE2-OD1 3.49Å; Q995-D999 PolarHBondContact NE2-OD2 2.87Å; Q995-D999 PolarHBondContact O-N 3.27Å |
| 996 | L | 79.8 | Confident | 76.3 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 53% | 0.534 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.7 | -72.2 | 167.9 | 0 | 0 | 0 | 112.6 | M957 C992 I993 T998 D999 L1000 | M957-L996 HydrophobicContact CE-CB 3.61Å; C992-L996 WeakPolarHBondContact O-CG 3.17Å; C992-L996 PolarHBondContact O-N 3.23Å; I993-L996 PolarHBondContact O-N 3.48Å; I993-L996 VanDerWaalsContact O-N 3.13Å; L996-T998 VanDerWaalsContact C-N 3.34Å; L996-D999 PolarHBondContact O-N 3.35Å; L996-L1000 VanDerWaalsContact O-CB 3.31Å; L996-L1000 WeakPolarHBondContact O-CB 3.44Å; L996-L1000 PolarHBondContact O-N 3.02Å |
| 997 | L | 77.7 | Confident | 76.2 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 171.9 | -79.3 | 168.1 | 0 | 0 | 0 | 111.4 | M957 D958 E961 I993 D999 L1000 G1001 | M957-L997 HydrophobicContact CB-CD1 4.49Å; M957-L997 HydrophobicContact CB-CD2 3.57Å; M957-L997 HydrophobicContact CB-CG 4.02Å; M957-L997 HydrophobicContact CE-CB 4.5Å; M957-L997 HydrophobicContact CE-CD2 3.94Å; M957-L997 HydrophobicContact CE-CG 3.85Å; D958-L997 WeakPolarHBondContact OD1-CD2 3.48Å; E961-L997 VanDerWaalsContact OE2-CD1 3.22Å; E961-L997 WeakPolarHBondContact OE2-CD1 3.48Å; I993-L997 HydrophobicContact CG2-CD1 4.27Å; I993-L997 PolarHBondContact O-N 2.86Å; L997-D999 VanDerWaalsContact C-N 3.32Å; L997-D999 PolarHBondContact O-N 3.03Å; L997-L1000 PolarHBondContact O-N 3.4Å; L997-G1001 PolarHBondContact O-N 2.92Å |
| 998 | T | 81.6 | Confident | 75.9 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | K994 Q995 L996 K1002 | K994-T998 VanDerWaalsContact O-CB 3.3Å; K994-T998 WeakPolarHBondContact O-CB 3.43Å; K994-T998 PolarHBondContact O-N 3.32Å; K994-T998 PolarHBondContact O-OG1 2.94Å; Q995-T998 WeakPolarHBondContact O-CB 3.38Å; Q995-T998 PolarHBondContact O-N 3.24Å; L996-T998 VanDerWaalsContact C-N 3.34Å; T998-K1002 WeakPolarHBondContact O-CE 3.35Å; T998-K1002 WeakPolarHBondContact O-CG 3.5Å; T998-K1002 PolarHBondContact O-N 3.4Å |
| 999 | D | 77.9 | Confident | 75.4 | Confident | 60 Ų | 60 | 74 Ų | 74 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.7 | -33.8 | 178 | -69.8 | -30.1 | 0 | 0 | 0 | 112.5 | Q995 L996 L997 K1002 V1003 | Q995-D999 VanDerWaalsContact NE2-CG 3.3Å; Q995-D999 PolarHBondContact NE2-OD1 3.49Å; Q995-D999 PolarHBondContact NE2-OD2 2.87Å; Q995-D999 PolarHBondContact O-N 3.27Å; L996-D999 PolarHBondContact O-N 3.35Å; L997-D999 VanDerWaalsContact C-N 3.32Å; L997-D999 PolarHBondContact O-N 3.03Å; D999-K1002 WeakPolarHBondContact O-CB 3.44Å; D999-K1002 PolarHBondContact O-N 3.34Å; D999-K1002 IonicContact OD1-NZ 3.69Å; D999-K1002 PolarHBondContact OD1-NZ 3.17Å; D999-V1003 WeakPolarHBondContact O-CG2 3.32Å; D999-V1003 PolarHBondContact O-N 3.23Å |
| 1000 | L | 75.1 | Confident | 74.3 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 171.3 | -175.8 | 57 | 0 | 0 | 0 | 111.2 | V953 T954 M957 L996 L997 K1002 V1003 Q1004 | V953-L1000 HydrophobicContact CG1-CD2 4.34Å; T954-L1000 VanDerWaalsContact OG1-CD2 3.3Å; T954-L1000 WeakPolarHBondContact OG1-CD2 3.43Å; M957-L1000 HydrophobicContact CE-CD2 4.49Å; M957-L1000 HydrophobicContact SD-CD2 4.39Å; L996-L1000 VanDerWaalsContact O-CB 3.31Å; L996-L1000 WeakPolarHBondContact O-CB 3.44Å; L996-L1000 PolarHBondContact O-N 3.02Å; L997-L1000 PolarHBondContact O-N 3.4Å; L1000-K1002 VanDerWaalsContact C-N 3.28Å; L1000-K1002 PolarHBondContact O-N 3.27Å; L1000-V1003 WeakPolarHBondContact O-CB 3.35Å; L1000-V1003 PolarHBondContact O-N 3.33Å; L1000-Q1004 PolarHBondContact O-N 3.18Å |
| 1001 | G | 73.9 | Confident | 72.9 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 23% | 0.227 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61 | -33 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L997 Q1005 | L997-G1001 PolarHBondContact O-N 2.92Å; G1001-Q1005 VanDerWaalsContact O-CG 3.28Å; G1001-Q1005 WeakPolarHBondContact O-CG 3.35Å; G1001-Q1005 PolarHBondContact O-N 3.16Å |
| 1002 | K | 77.7 | Confident | 70.9 | Confident | 90 Ų | 90 | 81.5 Ų | 81.5 | 39% | 0.391 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 170.8 | -67.8 | 165.3 | -159.2 | 157.7 | 0 | 111.8 | T998 D999 L1000 Q1005 I1006 | T998-K1002 WeakPolarHBondContact O-CE 3.35Å; T998-K1002 WeakPolarHBondContact O-CG 3.5Å; T998-K1002 PolarHBondContact O-N 3.4Å; D999-K1002 WeakPolarHBondContact O-CB 3.44Å; D999-K1002 PolarHBondContact O-N 3.34Å; D999-K1002 IonicContact OD1-NZ 3.69Å; D999-K1002 PolarHBondContact OD1-NZ 3.17Å; L1000-K1002 VanDerWaalsContact C-N 3.28Å; L1000-K1002 PolarHBondContact O-N 3.27Å; K1002-Q1005 PolarHBondContact O-N 3.05Å; K1002-I1006 WeakPolarHBondContact O-CB 3.27Å; K1002-I1006 WeakPolarHBondContact O-CD1 3.21Å; K1002-I1006 WeakPolarHBondContact O-CG1 3.43Å; K1002-I1006 PolarHBondContact O-N 2.76Å |
| 1003 | V | 72.8 | Confident | 70.4 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | D999 L1000 I1006 A1007 | D999-V1003 WeakPolarHBondContact O-CG2 3.32Å; D999-V1003 PolarHBondContact O-N 3.23Å; L1000-V1003 WeakPolarHBondContact O-CB 3.35Å; L1000-V1003 PolarHBondContact O-N 3.33Å; V1003-I1006 PolarHBondContact O-N 3.1Å; V1003-A1007 WeakPolarHBondContact O-CB 3.45Å; V1003-A1007 PolarHBondContact O-N 2.99Å |
| 1004 | Q | 70.7 | Confident | 70 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 31% | 0.308 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 172.3 | -73.1 | 170.8 | -28.4 | 0 | 0 | 111.9 | L1000 I1006 A1007 L1008 | L1000-Q1004 PolarHBondContact O-N 3.18Å; Q1004-I1006 PolarHBondContact O-N 3.36Å; Q1004-A1007 PolarHBondContact O-N 3.09Å; Q1004-L1008 WeakPolarHBondContact O-CB 3.46Å; Q1004-L1008 PolarHBondContact O-N 2.98Å |
| 1005 | Q | 72.5 | Confident | 69.6 | Low | 134 Ų | 134 | 85.7 Ų | 85.7 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 175.6 | -74.4 | 172.5 | 11.1 | 0 | 0 | 112.8 | G1001 K1002 L1008 C1009 | G1001-Q1005 VanDerWaalsContact O-CG 3.28Å; G1001-Q1005 WeakPolarHBondContact O-CG 3.35Å; G1001-Q1005 PolarHBondContact O-N 3.16Å; K1002-Q1005 PolarHBondContact O-N 3.05Å; Q1005-L1008 PolarHBondContact O-N 3.09Å; Q1005-C1009 WeakPolarHBondContact O-CB 3.5Å; Q1005-C1009 PolarHBondContact O-N 2.85Å; Q1005-C1009 PolarHBondContact O-SG 3.36Å |
| 1006 | I | 72.1 | Confident | 68.7 | Low | 106 Ų | 106 | 85.9 Ų | 85.9 | 54% | 0.544 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.8 | -70.1 | 162.7 | 0 | 0 | 0 | 110.7 | K1002 V1003 Q1004 C1009 C1010 | K1002-I1006 WeakPolarHBondContact O-CB 3.27Å; K1002-I1006 WeakPolarHBondContact O-CD1 3.21Å; K1002-I1006 WeakPolarHBondContact O-CG1 3.43Å; K1002-I1006 PolarHBondContact O-N 2.76Å; V1003-I1006 PolarHBondContact O-N 3.1Å; Q1004-I1006 PolarHBondContact O-N 3.36Å; I1006-C1009 CarbonylContact O-C 3.58Å; I1006-C1009 PolarHBondContact O-N 3.04Å; I1006-C1010 WeakPolarHBondContact O-CB 3.36Å; I1006-C1010 PolarHBondContact O-N 3.5Å; I1006-C1010 PolarHBondContact O-SG 2.68Å |
| 1007 | A | 66.4 | Low | 68 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1003 Q1004 C1009 C1010 S1011 | V1003-A1007 WeakPolarHBondContact O-CB 3.45Å; V1003-A1007 PolarHBondContact O-N 2.99Å; Q1004-A1007 PolarHBondContact O-N 3.09Å; A1007-C1009 PolarHBondContact O-N 3.49Å; A1007-C1010 CarbonylContact O-C 3.6Å; A1007-C1010 PolarHBondContact O-N 2.88Å; A1007-C1010 VanDerWaalsContact O-N 3.08Å; A1007-S1011 PolarHBondContact O-N 2.94Å; A1007-S1011 VanDerWaalsContact O-N 3.11Å |
| 1008 | L | 68.3 | Low | 67.3 | Low | 132 Ų | 132 | 88.9 Ų | 88.9 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 175.3 | -143 | 80 | 0 | 0 | 0 | 111.7 | Q1004 Q1005 C1010 S1011 | Q1004-L1008 WeakPolarHBondContact O-CB 3.46Å; Q1004-L1008 PolarHBondContact O-N 2.98Å; Q1005-L1008 PolarHBondContact O-N 3.09Å; L1008-C1010 PolarHBondContact O-N 3.49Å; L1008-S1011 PolarHBondContact O-N 2.68Å; L1008-S1011 VanDerWaalsContact O-N 3.17Å |
| 1009 | C | 64.4 | Low | 66.3 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -12.3 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | Q1005 I1006 A1007 T1012 | Q1005-C1009 WeakPolarHBondContact O-CB 3.5Å; Q1005-C1009 PolarHBondContact O-N 2.85Å; Q1005-C1009 PolarHBondContact O-SG 3.36Å; I1006-C1009 CarbonylContact O-C 3.58Å; I1006-C1009 PolarHBondContact O-N 3.04Å; A1007-C1009 PolarHBondContact O-N 3.49Å; C1009-T1012 PolarHBondContact O-OG1 2.81Å |
| 1010 | C | 51.6 | Low | 65.4 | Low | 106 Ų | 106 | 92.1 Ų | 92.1 | 72% | 0.716 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.3 | 172.6 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | I1006 A1007 L1008 | I1006-C1010 WeakPolarHBondContact O-CB 3.36Å; I1006-C1010 PolarHBondContact O-N 3.5Å; I1006-C1010 PolarHBondContact O-SG 2.68Å; A1007-C1010 CarbonylContact O-C 3.6Å; A1007-C1010 PolarHBondContact O-N 2.88Å; A1007-C1010 VanDerWaalsContact O-N 3.08Å; L1008-C1010 PolarHBondContact O-N 3.49Å |
| 1011 | S | 46 | Very low | 64.6 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | trans | -99.9 | 5.6 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | A1007 L1008 | A1007-S1011 PolarHBondContact O-N 2.94Å; A1007-S1011 VanDerWaalsContact O-N 3.11Å; L1008-S1011 PolarHBondContact O-N 2.68Å; L1008-S1011 VanDerWaalsContact O-N 3.17Å | ||
| 1012 | T | 38.6 | Very low | 63.7 | Low | 179 Ų | 179 | 104 Ų | 104 | 100% | 1.098 | 61% | 0.606 | S | S | * | * | trans | -119.1 | 0 | -176.1 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | C1009 | C1009-T1012 PolarHBondContact O-OG1 2.81Š|
Retrieved 1,012 of 1,012 residues in 1208.4 ms
(Link to these results)