| 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 | H | 29.9 | Very low | 50 | Low | 227 Ų | 227 | 91.5 Ų | 91.5 | 100% | 1.051 | 52% | 0.519 | S | S | * | . | 0 | 105.8 | 0 | -69.6 | -87.5 | 0 | 0 | 0 | 110.2 | |||||
| 2 | V | 28.3 | Very low | 51.9 | Low | 127 Ų | 127 | 84.3 Ų | 84.3 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | trans | -141.7 | -25.1 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | P4 | V2-P4 WeakPolarHBondContact O-CD 3.39Š| ||
| 3 | A | 33.4 | Very low | 53.9 | Low | 71 Ų | 71 | 79.9 Ų | 79.9 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -64.9 | -23.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | Q5 | A3-Q5 PolarHBondContact O-N 2.89Š|
| 4 | P | 38.6 | Very low | 55.4 | Low | 48 Ų | 48 | 84.9 Ų | 84.9 | 31% | 0.312 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -65 | -22.8 | -165 | -27.5 | 36.2 | 0 | 0 | 0 | 118 | V2 Y385 | V2-P4 WeakPolarHBondContact O-CD 3.39Å; P4-Y385 HydrophobicContact CB-CD2 4.29Å; P4-Y385 HydrophobicContact CB-CE2 3.63Å |
| 5 | Q | 43.7 | Very low | 56.8 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -83.1 | -28.4 | -174.3 | -68.5 | -179.1 | -10.2 | 0 | 0 | 113.5 | A3 T7 L9 Y385 | A3-Q5 PolarHBondContact O-N 2.89Å; Q5-T7 PolarHBondContact O-N 3.18Å; Q5-L9 PolarHBondContact O-N 3.18Å; Q5-Y385 HydrophobicContact CG-CE2 3.74Å; Q5-Y385 WeakPolarHBondContact CG-OH 3.48Å; Q5-Y385 PolarHBondContact NE2-OH 3.35Å |
| 6 | N | 50.7 | Low | 58 | Low | 115 Ų | 115 | 80.3 Ų | 80.3 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -75.2 | -31.7 | -166.6 | -64.8 | 0.9 | 0 | 0 | 0 | 113.2 | G10 | N6-G10 PolarHBondContact O-N 3.45Å |
| 7 | T | 55.7 | Low | 59 | Low | 102 Ų | 102 | 82.1 Ų | 82.1 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.8 | -36.8 | 178.5 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | Q5 L11 | Q5-T7 PolarHBondContact O-N 3.18Å; T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 2.8Å; T7-L11 VanDerWaalsContact O-N 3.14Å |
| 8 | F | 62.8 | Low | 59.7 | Low | 42 Ų | 42 | 81.4 Ų | 81.4 | 18% | 0.184 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 176.4 | 179.7 | -130.3 | 0 | 0 | 0 | 111.8 | G10 L11 I12 V109 V381 L382 P383 | F8-G10 VanDerWaalsContact C-N 3.35Å; F8-G10 PolarHBondContact O-N 2.8Å; F8-L11 PolarHBondContact O-N 2.77Å; F8-I12 HydrophobicContact CD1-CD1 4.2Å; F8-I12 HydrophobicContact CD2-CD1 4.32Å; F8-I12 HydrophobicContact CE1-CD1 3.74Å; F8-I12 HydrophobicContact CE2-CD1 3.85Å; F8-I12 HydrophobicContact CE2-CG1 4.17Å; F8-I12 HydrophobicContact CG-CD1 4.49Å; F8-I12 HydrophobicContact CZ-CD1 3.56Å; F8-I12 HydrophobicContact CZ-CG1 4.34Å; F8-I12 PolarHBondContact O-N 2.69Å; F8-I12 VanDerWaalsContact O-N 3.14Å; F8-V109 HydrophobicContact CE1-CG1 4.02Å; F8-V109 HydrophobicContact CZ-CG1 3.85Å; F8-V381 HydrophobicContact CE2-CG1 4.32Å; F8-V381 WeakPolarHBondContact CE2-O 3.43Å; F8-V381 WeakPolarHBondContact CZ-O 3.46Å; F8-L382 HydrophobicContact CZ-CD2 4.23Å; F8-P383 VanDerWaalsContact CD2-CD 3.43Å; F8-P383 HydrophobicContact CD2-CG 3.89Å; F8-P383 HydrophobicContact CE2-CG 4.36Å |
| 9 | L | 70 | Confident | 60.5 | Low | 40 Ų | 40 | 82.6 Ų | 82.6 | 21% | 0.209 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177 | -165.6 | 72 | 0 | 0 | 0 | 111.2 | Q5 L11 I12 I13 I25 I36 | Q5-L9 PolarHBondContact O-N 3.18Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.24Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-I13 HydrophobicContact CD2-CD1 4.48Å; L9-I13 HydrophobicContact CG-CD1 4Å; L9-I13 VanDerWaalsContact O-CG1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.36Å; L9-I25 HydrophobicContact CD1-CB 4.43Å; L9-I25 HydrophobicContact CD1-CD1 3.6Å; L9-I25 HydrophobicContact CD1-CG2 4Å; L9-I36 HydrophobicContact CD1-CD1 4.19Å |
| 10 | G | 67.3 | Low | 61.1 | Low | 37 Ų | 37 | 85.6 Ų | 85.6 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N6 F8 R14 | N6-G10 PolarHBondContact O-N 3.45Å; F8-G10 VanDerWaalsContact C-N 3.35Å; F8-G10 PolarHBondContact O-N 2.8Å; G10-R14 WeakPolarHBondContact O-CB 3.33Å; G10-R14 PolarHBondContact O-N 3.34Å |
| 11 | L | 69.8 | Low | 62.2 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 174.9 | -75.1 | 170 | 0 | 0 | 0 | 112.7 | T7 F8 L9 K15 P383 | T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 2.8Å; T7-L11 VanDerWaalsContact O-N 3.14Å; F8-L11 PolarHBondContact O-N 2.77Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.24Å; L11-K15 VanDerWaalsContact O-CB 3.28Å; L11-K15 WeakPolarHBondContact O-CB 3.43Å; L11-K15 PolarHBondContact O-N 3.45Å; L11-P383 HydrophobicContact CD1-CG 4.34Å |
| 12 | I | 72.4 | Confident | 65.1 | Low | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 173.3 | -68.4 | 164.8 | 0 | 0 | 0 | 109.9 | F8 L9 K15 F16 I25 I120 V381 | F8-I12 HydrophobicContact CD1-CD1 4.2Å; F8-I12 HydrophobicContact CD2-CD1 4.32Å; F8-I12 HydrophobicContact CE1-CD1 3.74Å; F8-I12 HydrophobicContact CE2-CD1 3.85Å; F8-I12 HydrophobicContact CE2-CG1 4.17Å; F8-I12 HydrophobicContact CG-CD1 4.49Å; F8-I12 HydrophobicContact CZ-CD1 3.56Å; F8-I12 HydrophobicContact CZ-CG1 4.34Å; F8-I12 PolarHBondContact O-N 2.69Å; F8-I12 VanDerWaalsContact O-N 3.14Å; L9-I12 PolarHBondContact O-N 3.11Å; I12-K15 PolarHBondContact O-N 2.69Å; I12-K15 VanDerWaalsContact O-N 3.17Å; I12-F16 HydrophobicContact CG2-CD2 4.08Å; I12-F16 HydrophobicContact CG2-CE2 4.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.23Å; I12-F16 PolarHBondContact O-N 3.31Å; I12-I25 HydrophobicContact CG2-CD1 3.86Å; I12-I120 HydrophobicContact CD1-CD1 4.22Å; I12-I120 HydrophobicContact CG2-CD1 3.82Å; I12-V381 HydrophobicContact CG1-CG1 4.47Å |
| 13 | I | 78.3 | Confident | 68.1 | Low | 28 Ų | 28 | 70.7 Ų | 70.7 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56 | -57.6 | -178.6 | -68 | 163.8 | 0 | 0 | 0 | 110.2 | L9 K15 F16 E17 F23 I25 Y37 | L9-I13 HydrophobicContact CD2-CD1 4.48Å; L9-I13 HydrophobicContact CG-CD1 4Å; L9-I13 VanDerWaalsContact O-CG1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.36Å; I13-K15 PolarHBondContact O-N 3.23Å; I13-F16 PolarHBondContact O-N 2.9Å; I13-E17 WeakPolarHBondContact O-CB 3.35Å; I13-E17 PolarHBondContact O-N 3.06Å; I13-F23 HydrophobicContact CG1-CE2 4.44Å; I13-F23 HydrophobicContact CG1-CZ 4.4Å; I13-I25 HydrophobicContact CG1-CD1 4.46Å; I13-Y37 HydrophobicContact CD1-CD1 4.21Å; I13-Y37 HydrophobicContact CD1-CD2 3.68Å; I13-Y37 HydrophobicContact CD1-CE1 4.14Å; I13-Y37 HydrophobicContact CD1-CE2 3.6Å; I13-Y37 HydrophobicContact CD1-CG 3.99Å; I13-Y37 HydrophobicContact CG1-CD1 4.12Å; I13-Y37 HydrophobicContact CG1-CD2 4.42Å; I13-Y37 HydrophobicContact CG1-CE1 3.82Å; I13-Y37 HydrophobicContact CG1-CE2 4.14Å; I13-Y37 HydrophobicContact CG1-CG 4.41Å; I13-Y37 HydrophobicContact CG2-CE2 4.49Å |
| 14 | R | 75.1 | Confident | 70.9 | Confident | 150 Ų | 150 | 67.3 Ų | 67.3 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.7 | -28.2 | -179.5 | -166.9 | 178.5 | -175.3 | -166.5 | 2.5 | 113.1 | G10 E477 | G10-R14 WeakPolarHBondContact O-CB 3.33Å; G10-R14 PolarHBondContact O-N 3.34Å; R14-E477 IonicContact CZ-OE1 3.28Å; R14-E477 IonicContact NH1-OE1 3.15Å; R14-E477 PolarHBondContact NH1-OE1 3.23Å; R14-E477 IonicContact NH2-OE1 3.88Å; R14-E477 PolarHBondContact NH2-OE1 2.9Å |
| 15 | K | 76.2 | Confident | 73.3 | Confident | 81 Ų | 81 | 65 Ų | 65 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81 | -34.5 | 178.2 | -176.4 | 178 | 178.3 | -179.2 | 0 | 113.5 | L11 I12 I13 V381 | L11-K15 VanDerWaalsContact O-CB 3.28Å; L11-K15 WeakPolarHBondContact O-CB 3.43Å; L11-K15 PolarHBondContact O-N 3.45Å; I12-K15 PolarHBondContact O-N 2.69Å; I12-K15 VanDerWaalsContact O-N 3.17Å; I13-K15 PolarHBondContact O-N 3.23Å; K15-V381 VanDerWaalsContact NZ-CG2 3.35Å |
| 16 | F | 75.8 | Confident | 75.5 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -88.3 | -34.6 | 179.5 | -83.4 | -117.1 | 0 | 0 | 0 | 112.5 | I12 I13 Q19 N20 R21 F23 I120 | I12-F16 HydrophobicContact CG2-CD2 4.08Å; I12-F16 HydrophobicContact CG2-CE2 4.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.23Å; I12-F16 PolarHBondContact O-N 3.31Å; I13-F16 PolarHBondContact O-N 2.9Å; F16-Q19 CarbonylContact O-C 3.54Å; F16-Q19 WeakPolarHBondContact O-CA 3.41Å; F16-Q19 WeakPolarHBondContact O-CB 3.33Å; F16-Q19 PolarHBondContact O-N 3.25Å; F16-N20 PolarHBondContact O-N 2.72Å; F16-R21 HydrophobicContact CB-CB 4.42Å; F16-R21 HydrophobicContact CD1-CB 4.15Å; F16-R21 PolarHBondContact O-N 3.25Å; F16-F23 HydrophobicContact CB-CD1 3.7Å; F16-F23 HydrophobicContact CB-CE1 3.35Å; F16-F23 HydrophobicContact CB-CE2 4.37Å; F16-F23 HydrophobicContact CB-CG 4.37Å; F16-F23 HydrophobicContact CB-CZ 3.73Å; F16-F23 HydrophobicContact CD1-CB 4.49Å; F16-F23 HydrophobicContact CD1-CD1 4.07Å; F16-F23 HydrophobicContact CD1-CG 4.13Å; F16-F23 HydrophobicContact CG-CD1 4.3Å; F16-F23 HydrophobicContact CG-CE1 4.33Å; F16-I120 HydrophobicContact CE1-CG2 4.07Å; F16-I120 HydrophobicContact CZ-CD1 4.47Å; F16-I120 HydrophobicContact CZ-CG2 4.26Å |
| 17 | E | 75.8 | Confident | 77.3 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 171.1 | -176.8 | 178.7 | -152.7 | 0 | 0 | 110.8 | I13 Q19 N20 | I13-E17 WeakPolarHBondContact O-CB 3.35Å; I13-E17 PolarHBondContact O-N 3.06Å; E17-Q19 PolarHBondContact O-N 2.96Å; E17-N20 PolarHBondContact O-N 2.92Å |
| 18 | G | 70.3 | Confident | 78.7 | Confident | 70 Ų | 70 | 53 Ų | 53 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 0.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 19 | Q | 74.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 5.7 | 170.5 | -64.2 | -176.5 | 5 | 0 | 0 | 112.6 | F16 E17 R21 | F16-Q19 CarbonylContact O-C 3.54Å; F16-Q19 WeakPolarHBondContact O-CA 3.41Å; F16-Q19 WeakPolarHBondContact O-CB 3.33Å; F16-Q19 PolarHBondContact O-N 3.25Å; E17-Q19 PolarHBondContact O-N 2.96Å; Q19-R21 HydrophobicContact CB-CG 4.01Å; Q19-R21 PolarHBondContact O-N 3.43Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.25Å; Q19-R21 VanDerWaalsContact OE1-NE 3.16Å |
| 20 | N | 73.7 | Confident | 80.3 | Confident | 142 Ų | 142 | 59.6 Ų | 59.6 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.5 | -171.7 | -161.4 | 11.8 | 0 | 0 | 0 | 113.2 | F16 E17 | F16-N20 PolarHBondContact O-N 2.72Å; E17-N20 PolarHBondContact O-N 2.92Å |
| 21 | R | 83.6 | Confident | 80.6 | Confident | 84 Ų | 84 | 67 Ų | 67 | 32% | 0.317 | 33% | 0.331 | S | S | . | . | trans | -87.6 | 144.4 | -179.7 | -81.3 | 179.9 | 170.7 | -167 | -3.7 | 111.9 | F16 Q19 F23 N39 N122 | F16-R21 HydrophobicContact CB-CB 4.42Å; F16-R21 HydrophobicContact CD1-CB 4.15Å; F16-R21 PolarHBondContact O-N 3.25Å; Q19-R21 HydrophobicContact CB-CG 4.01Å; Q19-R21 PolarHBondContact O-N 3.43Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.25Å; Q19-R21 VanDerWaalsContact OE1-NE 3.16Å; R21-F23 HydrophobicContact CB-CD1 4.2Å; R21-F23 WeakPolarHBondContact O-CD1 3.43Å; R21-N39 PolarHBondContact O-ND2 3.33Å; R21-N122 WeakPolarHBondContact CB-OD1 3.34Å; R21-N122 WeakPolarHBondContact CD-OD1 3.34Å; R21-N122 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 22 | K | 90.6 | Very high | 81.2 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | trans | -97.6 | 108.7 | 175.1 | -45.8 | 174.8 | 176.7 | -179.3 | 0 | 107.4 | G41 F42 M45 F123 | K22-G41 VanDerWaalsContact CD-O 3.29Å; K22-G41 WeakPolarHBondContact CD-O 3.24Å; K22-G41 VanDerWaalsContact CG-O 3.29Å; K22-G41 WeakPolarHBondContact CG-O 3.28Å; K22-F42 HydrophobicContact CB-CB 4.41Å; K22-M45 HydrophobicContact CD-CB 3.97Å; K22-M45 HydrophobicContact CD-CG 4.14Å; K22-M45 HydrophobicContact CD-SD 3.49Å; K22-M45 WeakPolarHBondContact CD-SD 3.38Å; K22-F123 HydrophobicContact CB-CB 4.5Å; K22-F123 PolarHBondContact O-N 2.98Å | ||
| 23 | F | 91.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.2 | -173 | 69.8 | -81.1 | 0 | 0 | 0 | 113 | I13 F16 R21 I25 Y37 N39 I120 L121 | I13-F23 HydrophobicContact CG1-CE2 4.44Å; I13-F23 HydrophobicContact CG1-CZ 4.4Å; F16-F23 HydrophobicContact CB-CD1 3.7Å; F16-F23 HydrophobicContact CB-CE1 3.35Å; F16-F23 HydrophobicContact CB-CE2 4.37Å; F16-F23 HydrophobicContact CB-CG 4.37Å; F16-F23 HydrophobicContact CB-CZ 3.73Å; F16-F23 HydrophobicContact CD1-CB 4.49Å; F16-F23 HydrophobicContact CD1-CD1 4.07Å; F16-F23 HydrophobicContact CD1-CG 4.13Å; F16-F23 HydrophobicContact CG-CD1 4.3Å; F16-F23 HydrophobicContact CG-CE1 4.33Å; R21-F23 HydrophobicContact CB-CD1 4.2Å; R21-F23 WeakPolarHBondContact O-CD1 3.43Å; F23-I25 HydrophobicContact CD2-CD1 4.37Å; F23-I25 HydrophobicContact CD2-CG1 4.01Å; F23-I25 HydrophobicContact CE2-CD1 3.96Å; F23-I25 HydrophobicContact CE2-CG1 4.07Å; F23-Y37 HydrophobicContact CD2-CE1 4.39Å; F23-Y37 AromaticContact CE2-CD1 3.85Å; F23-Y37 HydrophobicContact CE2-CD1 3.85Å; F23-Y37 AromaticContact CE2-CE1 3.51Å; F23-Y37 HydrophobicContact CE2-CE1 3.51Å; F23-Y37 HydrophobicContact CZ-CD1 4.41Å; F23-Y37 AromaticContact CZ-CE1 3.62Å; F23-Y37 HydrophobicContact CZ-CE1 3.62Å; F23-N39 HydrophobicContact CD1-CB 4Å; F23-N39 HydrophobicContact CE1-CB 3.74Å; F23-N39 HydrophobicContact CZ-CB 4.18Å; F23-N39 PolarHBondContact O-N 2.99Å; F23-I120 HydrophobicContact CD2-CG2 4.46Å; F23-L121 CarbonylContact C-O 3.52Å; F23-L121 WeakPolarHBondContact CA-O 3.37Å; F23-L121 VanDerWaalsContact CB-O 3.31Å; F23-L121 WeakPolarHBondContact CB-O 3.16Å |
| 24 | V | 91.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | I35 Y37 C38 F42 L121 F123 | V24-I35 HydrophobicContact CG1-CB 4.15Å; V24-I35 HydrophobicContact CG1-CD1 3.83Å; V24-I35 HydrophobicContact CG1-CG1 3.67Å; V24-I35 HydrophobicContact CG1-CG2 3.43Å; V24-I35 VanDerWaalsContact CG1-CG2 3.43Å; V24-Y37 CarbonylContact C-O 3.6Å; V24-Y37 WeakPolarHBondContact CA-O 3.43Å; V24-Y37 WeakPolarHBondContact CG1-O 3.45Å; V24-C38 HydrophobicContact CG2-CB 4.19Å; V24-F42 HydrophobicContact CG2-CD1 3.62Å; V24-F42 HydrophobicContact CG2-CD2 3.74Å; V24-F42 HydrophobicContact CG2-CE1 3.61Å; V24-F42 HydrophobicContact CG2-CE2 3.74Å; V24-F42 HydrophobicContact CG2-CG 3.68Å; V24-F42 HydrophobicContact CG2-CZ 3.66Å; V24-L121 PolarHBondContact N-O 3.03Å; V24-L121 PolarHBondContact O-N 2.77Å; V24-F123 HydrophobicContact CB-CE2 4.11Å; V24-F123 HydrophobicContact CG2-CD2 4.49Å; V24-F123 HydrophobicContact CG2-CE2 3.78Å |
| 25 | I | 90.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.6 | 174.2 | -52.4 | 179.2 | 0 | 0 | 0 | 108.7 | L9 I12 I13 F23 I36 Y37 M118 F119 I120 | L9-I25 HydrophobicContact CD1-CB 4.43Å; L9-I25 HydrophobicContact CD1-CD1 3.6Å; L9-I25 HydrophobicContact CD1-CG2 4Å; I12-I25 HydrophobicContact CG2-CD1 3.86Å; I13-I25 HydrophobicContact CG1-CD1 4.46Å; F23-I25 HydrophobicContact CD2-CD1 4.37Å; F23-I25 HydrophobicContact CD2-CG1 4.01Å; F23-I25 HydrophobicContact CE2-CD1 3.96Å; F23-I25 HydrophobicContact CE2-CG1 4.07Å; I25-I36 HydrophobicContact CB-CG1 4.37Å; I25-I36 HydrophobicContact CG2-CD1 4.18Å; I25-I36 HydrophobicContact CG2-CG1 4.15Å; I25-I36 VanDerWaalsContact O-CG1 3.31Å; I25-I36 WeakPolarHBondContact O-CG1 3.49Å; I25-I36 PolarHBondContact O-N 3.04Å; I25-Y37 HydrophobicContact CD1-CD1 4.23Å; I25-Y37 HydrophobicContact CG1-CD1 4.25Å; I25-Y37 PolarHBondContact N-O 3.3Å; I25-Y37 PolarHBondContact O-N 3.47Å; I25-M118 HydrophobicContact CG2-CB 4.22Å; I25-M118 HydrophobicContact CG2-CG 4.45Å; I25-M118 HydrophobicContact CG2-SD 4.35Å; I25-F119 WeakPolarHBondContact CA-O 3.46Å; I25-I120 HydrophobicContact CG1-CG1 4.4Å |
| 26 | A | 89.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A34 I35 C58 M118 F119 | A26-A34 CarbonylContact C-O 3.57Å; A26-A34 VanDerWaalsContact CA-O 3.3Å; A26-A34 WeakPolarHBondContact CA-O 3.25Å; A26-I35 HydrophobicContact CB-CG1 4.38Å; A26-C58 HydrophobicContact CB-CB 3.43Å; A26-C58 VanDerWaalsContact CB-CB 3.43Å; A26-M118 CarbonylContact O-C 3.58Å; A26-M118 VanDerWaalsContact O-CA 3.23Å; A26-M118 WeakPolarHBondContact O-CA 3.48Å; A26-F119 PolarHBondContact N-O 2.86Å; A26-F119 PolarHBondContact O-N 3.17Å |
| 27 | N | 88.6 | Confident | 84.3 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 112 | -176.1 | -177.3 | -6.2 | 0 | 0 | 0 | 111.5 | R29 V30 C33 A34 I36 M118 | N27-R29 PolarHBondContact O-N 3.49Å; N27-R29 WeakPolarHBondContact OD1-CB 3.45Å; N27-R29 PolarHBondContact OD1-N 2.97Å; N27-V30 HydrophobicContact CB-CG2 4.27Å; N27-V30 PolarHBondContact O-N 3.39Å; N27-C33 WeakPolarHBondContact O-CA 3.32Å; N27-A34 PolarHBondContact N-O 2.92Å; N27-I36 HydrophobicContact CB-CG2 3.9Å; N27-M118 HydrophobicContact CB-SD 4.06Å |
| 28 | A | 85.6 | Confident | 85.1 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V116 M117 F119 | A28-V116 HydrophobicContact CB-CB 4.29Å; A28-V116 HydrophobicContact CB-CG1 3.64Å; A28-M117 PolarHBondContact N-O 2.96Å; A28-M117 VanDerWaalsContact N-O 3.15Å; A28-F119 HydrophobicContact CB-CD2 3.81Å; A28-F119 HydrophobicContact CB-CE2 3.46Å; A28-F119 VanDerWaalsContact CB-CE2 3.46Å; A28-F119 HydrophobicContact CB-CZ 4.32Å |
| 29 | R | 81.7 | Confident | 86.1 | Confident | 155 Ų | 155 | 53.8 Ų | 53.8 | 59% | 0.585 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.5 | 177.9 | -64.5 | -173.2 | 171.7 | -147.3 | -1.1 | 114.1 | N27 M117 | N27-R29 PolarHBondContact O-N 3.49Å; N27-R29 WeakPolarHBondContact OD1-CB 3.45Å; N27-R29 PolarHBondContact OD1-N 2.97Å; R29-M117 VanDerWaalsContact CZ-SD 3.6Å; R29-M117 PolarHBondContact NE-SD 3.12Å; R29-M117 PolarHBondContact NH2-SD 3.35Å |
| 30 | V | 83.1 | Confident | 86.7 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -100.4 | 137.1 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 108 | N27 N32 C33 A34 | N27-V30 HydrophobicContact CB-CG2 4.27Å; N27-V30 PolarHBondContact O-N 3.39Å; V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 3.08Å; V30-N32 VanDerWaalsContact O-N 3.11Å; V30-C33 WeakPolarHBondContact O-CA 3.48Å; V30-C33 PolarHBondContact O-N 3.41Å; V30-A34 HydrophobicContact CG1-CB 4.19Å |
| 31 | E | 75.4 | Confident | 87.4 | Confident | 192 Ų | 192 | 45.8 Ų | 45.8 | 90% | 0.897 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.2 | -169.2 | -61.6 | 176.6 | 161.3 | 0 | 0 | 113.7 | ||
| 32 | N | 80.8 | Confident | 87.8 | Confident | 125 Ų | 125 | 41.8 Ų | 41.8 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 11.2 | 178.7 | -63.6 | -29.8 | 0 | 0 | 0 | 114.4 | V30 A34 P57 | V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 3.08Å; V30-N32 VanDerWaalsContact O-N 3.11Å; N32-A34 VanDerWaalsContact C-N 3.34Å; N32-A34 PolarHBondContact O-N 3.25Å; N32-P57 WeakPolarHBondContact O-CA 3.34Å; N32-P57 WeakPolarHBondContact O-CB 3.47Å |
| 33 | C | 85.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | trans | 44.1 | 56.2 | -173 | -70 | 0 | 0 | 0 | 0 | 112.5 | N27 V30 C58 V80 | N27-C33 WeakPolarHBondContact O-CA 3.32Å; V30-C33 WeakPolarHBondContact O-CA 3.48Å; V30-C33 PolarHBondContact O-N 3.41Å; C33-C58 WeakPolarHBondContact CB-SG 3.46Å; C33-C58 WeakPolarHBondContact O-CB 3.38Å; C33-C58 PolarHBondContact O-N 3.11Å; C33-C58 VanDerWaalsContact O-N 3.15Å; C33-C58 PolarHBondContact O-SG 3.04Å; C33-V80 HydrophobicContact CB-CG1 4.3Å | ||
| 34 | A | 89.3 | Confident | 87.7 | Confident | 17 Ų | 17 | 48 Ų | 48 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -69.1 | 142.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A26 N27 V30 N32 K56 | A26-A34 CarbonylContact C-O 3.57Å; A26-A34 VanDerWaalsContact CA-O 3.3Å; A26-A34 WeakPolarHBondContact CA-O 3.25Å; N27-A34 PolarHBondContact N-O 2.92Å; V30-A34 HydrophobicContact CG1-CB 4.19Å; N32-A34 VanDerWaalsContact C-N 3.34Å; N32-A34 PolarHBondContact O-N 3.25Å; A34-K56 WeakPolarHBondContact CA-O 3.43Å |
| 35 | I | 90.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.5 | 177 | -67.4 | 167.4 | 0 | 0 | 0 | 110.7 | V24 A26 I53 M54 Q55 K56 C58 F62 | V24-I35 HydrophobicContact CG1-CB 4.15Å; V24-I35 HydrophobicContact CG1-CD1 3.83Å; V24-I35 HydrophobicContact CG1-CG1 3.67Å; V24-I35 HydrophobicContact CG1-CG2 3.43Å; V24-I35 VanDerWaalsContact CG1-CG2 3.43Å; A26-I35 HydrophobicContact CB-CG1 4.38Å; I35-I53 HydrophobicContact CD1-CG2 4.21Å; I35-I53 HydrophobicContact CG2-CG2 4.09Å; I35-M54 HydrophobicContact CG2-SD 4.47Å; I35-Q55 PolarHBondContact O-N 3.4Å; I35-K56 HydrophobicContact CD1-CB 4.29Å; I35-K56 WeakPolarHBondContact CG1-O 3.44Å; I35-K56 PolarHBondContact N-O 3.2Å; I35-C58 HydrophobicContact CG1-CB 4.35Å; I35-F62 HydrophobicContact CD1-CE1 4.32Å |
| 36 | I | 89.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 28% | 0.282 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -11.7 | -178.3 | 61.8 | 162.3 | 0 | 0 | 0 | 114.2 | L9 I25 N27 M54 M118 | L9-I36 HydrophobicContact CD1-CD1 4.19Å; I25-I36 HydrophobicContact CB-CG1 4.37Å; I25-I36 HydrophobicContact CG2-CD1 4.18Å; I25-I36 HydrophobicContact CG2-CG1 4.15Å; I25-I36 VanDerWaalsContact O-CG1 3.31Å; I25-I36 WeakPolarHBondContact O-CG1 3.49Å; I25-I36 PolarHBondContact O-N 3.04Å; N27-I36 HydrophobicContact CB-CG2 3.9Å; I36-M54 VanDerWaalsContact C-SD 3.6Å; I36-M54 WeakPolarHBondContact O-CE 3.44Å; I36-M118 HydrophobicContact CD1-CE 3.82Å; I36-M118 HydrophobicContact CD1-SD 3.57Å; I36-M118 VanDerWaalsContact CD1-SD 3.57Å |
| 37 | Y | 89.4 | Confident | 87.5 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 144.2 | 174.3 | 174.4 | -90.6 | 0 | 0 | 0 | 110.7 | I13 F23 V24 I25 N39 | I13-Y37 HydrophobicContact CD1-CD1 4.21Å; I13-Y37 HydrophobicContact CD1-CD2 3.68Å; I13-Y37 HydrophobicContact CD1-CE1 4.14Å; I13-Y37 HydrophobicContact CD1-CE2 3.6Å; I13-Y37 HydrophobicContact CD1-CG 3.99Å; I13-Y37 HydrophobicContact CG1-CD1 4.12Å; I13-Y37 HydrophobicContact CG1-CD2 4.42Å; I13-Y37 HydrophobicContact CG1-CE1 3.82Å; I13-Y37 HydrophobicContact CG1-CE2 4.14Å; I13-Y37 HydrophobicContact CG1-CG 4.41Å; I13-Y37 HydrophobicContact CG2-CE2 4.49Å; F23-Y37 HydrophobicContact CD2-CE1 4.39Å; F23-Y37 AromaticContact CE2-CD1 3.85Å; F23-Y37 HydrophobicContact CE2-CD1 3.85Å; F23-Y37 AromaticContact CE2-CE1 3.51Å; F23-Y37 HydrophobicContact CE2-CE1 3.51Å; F23-Y37 HydrophobicContact CZ-CD1 4.41Å; F23-Y37 AromaticContact CZ-CE1 3.62Å; F23-Y37 HydrophobicContact CZ-CE1 3.62Å; V24-Y37 CarbonylContact C-O 3.6Å; V24-Y37 WeakPolarHBondContact CA-O 3.43Å; V24-Y37 WeakPolarHBondContact CG1-O 3.45Å; I25-Y37 HydrophobicContact CD1-CD1 4.23Å; I25-Y37 HydrophobicContact CG1-CD1 4.25Å; I25-Y37 PolarHBondContact N-O 3.3Å; I25-Y37 PolarHBondContact O-N 3.47Å; Y37-N39 HydrophobicContact CE1-CB 4.15Å |
| 38 | C | 90.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.1 | 169 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | V24 F42 I53 | V24-C38 HydrophobicContact CG2-CB 4.19Å; C38-F42 HydrophobicContact CB-CD1 4.16Å; C38-I53 HydrophobicContact CB-CG2 4.01Å |
| 39 | N | 91.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -80.1 | 154.5 | 175 | -167.7 | 16.8 | 0 | 0 | 0 | 111.1 | R21 F23 Y37 G41 F42 C43 | R21-N39 PolarHBondContact O-ND2 3.33Å; F23-N39 HydrophobicContact CD1-CB 4Å; F23-N39 HydrophobicContact CE1-CB 3.74Å; F23-N39 HydrophobicContact CZ-CB 4.18Å; F23-N39 PolarHBondContact O-N 2.99Å; Y37-N39 HydrophobicContact CE1-CB 4.15Å; N39-G41 VanDerWaalsContact C-N 3.32Å; N39-G41 PolarHBondContact O-N 3.18Å; N39-F42 WeakPolarHBondContact O-CB 3.27Å; N39-F42 PolarHBondContact O-N 2.95Å; N39-C43 PolarHBondContact O-N 3.18Å | ||
| 40 | D | 88.9 | Confident | 88.2 | Confident | 71 Ų | 71 | 50 Ų | 50 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | -178.7 | -67.7 | -41.2 | 0 | 0 | 0 | 112.4 | F42 C43 E44 R50 | D40-F42 PolarHBondContact O-N 3.48Å; D40-C43 CarbonylContact O-C 3.43Å; D40-C43 WeakPolarHBondContact O-CA 3.17Å; D40-C43 WeakPolarHBondContact O-CB 3.46Å; D40-C43 PolarHBondContact O-N 2.78Å; D40-E44 WeakPolarHBondContact O-CG 3.48Å; D40-E44 PolarHBondContact O-N 3.11Å; D40-R50 IonicContact OD1-CZ 3.68Å; D40-R50 IonicContact OD1-NE 2.73Å; D40-R50 PolarHBondContact OD1-NE 3.48Å; D40-R50 IonicContact OD1-NH2 3.75Å; D40-R50 PolarHBondContact OD1-NH2 3.19Å; D40-R50 IonicContact OD2-CZ 3.97Å; D40-R50 IonicContact OD2-NH2 2.77Å; D40-R50 PolarHBondContact OD2-NH2 3.42Å |
| 41 | G | 88.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -15.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K22 N39 M45 | K22-G41 VanDerWaalsContact CD-O 3.29Å; K22-G41 WeakPolarHBondContact CD-O 3.24Å; K22-G41 VanDerWaalsContact CG-O 3.29Å; K22-G41 WeakPolarHBondContact CG-O 3.28Å; N39-G41 VanDerWaalsContact C-N 3.32Å; N39-G41 PolarHBondContact O-N 3.18Å; G41-M45 WeakPolarHBondContact O-CB 3.16Å; G41-M45 PolarHBondContact O-N 3.36Å |
| 42 | F | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -85.8 | -38.4 | 168.3 | 177.2 | -93 | 0 | 0 | 0 | 111.7 | K22 V24 C38 N39 D40 M45 T46 I53 L63 F123 | K22-F42 HydrophobicContact CB-CB 4.41Å; V24-F42 HydrophobicContact CG2-CD1 3.62Å; V24-F42 HydrophobicContact CG2-CD2 3.74Å; V24-F42 HydrophobicContact CG2-CE1 3.61Å; V24-F42 HydrophobicContact CG2-CE2 3.74Å; V24-F42 HydrophobicContact CG2-CG 3.68Å; V24-F42 HydrophobicContact CG2-CZ 3.66Å; C38-F42 HydrophobicContact CB-CD1 4.16Å; N39-F42 WeakPolarHBondContact O-CB 3.27Å; N39-F42 PolarHBondContact O-N 2.95Å; D40-F42 PolarHBondContact O-N 3.48Å; F42-M45 HydrophobicContact CD2-CE 3.64Å; F42-M45 HydrophobicContact CE2-CE 3.89Å; F42-M45 PolarHBondContact O-N 3.23Å; F42-T46 HydrophobicContact CD2-CG2 4.28Å; F42-T46 HydrophobicContact CE1-CG2 4.2Å; F42-T46 HydrophobicContact CE2-CG2 3.92Å; F42-T46 HydrophobicContact CZ-CG2 3.89Å; F42-T46 WeakPolarHBondContact O-CG2 3.4Å; F42-T46 PolarHBondContact O-N 2.85Å; F42-T46 VanDerWaalsContact O-N 3.1Å; F42-T46 PolarHBondContact O-OG1 3.1Å; F42-I53 HydrophobicContact CD1-CD1 3.92Å; F42-I53 HydrophobicContact CE1-CD1 3.78Å; F42-I53 HydrophobicContact CE1-CG1 4.16Å; F42-I53 HydrophobicContact CE1-CG2 3.99Å; F42-L63 HydrophobicContact CE2-CD1 4.4Å; F42-L63 HydrophobicContact CZ-CD1 4.04Å; F42-F123 HydrophobicContact CD2-CB 4.45Å; F42-F123 AromaticContact CD2-CD2 3.51Å; F42-F123 HydrophobicContact CD2-CD2 3.51Å; F42-F123 AromaticContact CD2-CE2 3.82Å; F42-F123 HydrophobicContact CD2-CE2 3.82Å; F42-F123 AromaticContact CD2-CG 3.97Å; F42-F123 HydrophobicContact CD2-CG 3.97Å; F42-F123 HydrophobicContact CD2-CZ 4.49Å; F42-F123 HydrophobicContact CE2-CD1 4.09Å; F42-F123 AromaticContact CE2-CD2 3.53Å; F42-F123 HydrophobicContact CE2-CD2 3.53Å; F42-F123 HydrophobicContact CE2-CE1 4Å; F42-F123 AromaticContact CE2-CE2 3.44Å; F42-F123 HydrophobicContact CE2-CE2 3.44Å; F42-F123 VanDerWaalsContact CE2-CE2 3.44Å; F42-F123 AromaticContact CE2-CG 3.87Å; F42-F123 HydrophobicContact CE2-CG 3.87Å; F42-F123 AromaticContact CE2-CZ 3.69Å; F42-F123 HydrophobicContact CE2-CZ 3.69Å; F42-F123 HydrophobicContact CZ-CE2 4.32Å; F42-F123 HydrophobicContact CZ-CZ 4.37Å |
| 43 | C | 91 | Very high | 89.5 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 172.6 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | N39 D40 M45 T46 G47 F48 | N39-C43 PolarHBondContact O-N 3.18Å; D40-C43 CarbonylContact O-C 3.43Å; D40-C43 WeakPolarHBondContact O-CA 3.17Å; D40-C43 WeakPolarHBondContact O-CB 3.46Å; D40-C43 PolarHBondContact O-N 2.78Å; C43-M45 VanDerWaalsContact C-N 3.33Å; C43-M45 PolarHBondContact O-N 2.97Å; C43-T46 PolarHBondContact O-N 2.83Å; C43-G47 WeakPolarHBondContact O-CA 3.19Å; C43-G47 PolarHBondContact O-N 3.27Å; C43-F48 WeakPolarHBondContact CA-O 3.29Å; C43-F48 VanDerWaalsContact CB-O 3.27Å; C43-F48 WeakPolarHBondContact CB-O 3.5Å |
| 44 | E | 89.1 | Confident | 89.6 | Confident | 158 Ų | 158 | 41.8 Ų | 41.8 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -40.2 | 174.1 | -70.2 | 176.8 | 172.3 | 0 | 0 | 112.9 | D40 | D40-E44 WeakPolarHBondContact O-CG 3.48Å; D40-E44 PolarHBondContact O-N 3.11Å |
| 45 | M | 88.3 | Confident | 89.5 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -36.6 | -178.7 | 179.5 | -173.3 | 74.3 | 0 | 0 | 112.7 | K22 G41 F42 C43 R94 F100 F123 Y125 | K22-M45 HydrophobicContact CD-CB 3.97Å; K22-M45 HydrophobicContact CD-CG 4.14Å; K22-M45 HydrophobicContact CD-SD 3.49Å; K22-M45 WeakPolarHBondContact CD-SD 3.38Å; G41-M45 WeakPolarHBondContact O-CB 3.16Å; G41-M45 PolarHBondContact O-N 3.36Å; F42-M45 HydrophobicContact CD2-CE 3.64Å; F42-M45 HydrophobicContact CE2-CE 3.89Å; F42-M45 PolarHBondContact O-N 3.23Å; C43-M45 VanDerWaalsContact C-N 3.33Å; C43-M45 PolarHBondContact O-N 2.97Å; M45-R94 WeakPolarHBondContact O-CD 3.34Å; M45-R94 PolarHBondContact O-NE 2.78Å; M45-F100 HydrophobicContact CE-CE2 3.93Å; M45-F100 HydrophobicContact CE-CZ 4.1Å; M45-F100 HydrophobicContact CG-CE2 3.88Å; M45-F100 HydrophobicContact CG-CZ 4.18Å; M45-F100 HydrophobicContact SD-CE2 3.9Å; M45-F123 HydrophobicContact CE-CB 3.63Å; M45-F123 HydrophobicContact CE-CD1 4.38Å; M45-F123 HydrophobicContact CE-CG 4.07Å; M45-F123 HydrophobicContact SD-CB 4.07Å; M45-Y125 HydrophobicContact CG-CE1 3.77Å; M45-Y125 HydrophobicContact SD-CE1 4.32Å |
| 46 | T | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -100.1 | -17.1 | -173 | 62 | 0 | 0 | 0 | 0 | 113.7 | F42 C43 F48 L63 R94 K95 F100 | F42-T46 HydrophobicContact CD2-CG2 4.28Å; F42-T46 HydrophobicContact CE1-CG2 4.2Å; F42-T46 HydrophobicContact CE2-CG2 3.92Å; F42-T46 HydrophobicContact CZ-CG2 3.89Å; F42-T46 WeakPolarHBondContact O-CG2 3.4Å; F42-T46 PolarHBondContact O-N 2.85Å; F42-T46 VanDerWaalsContact O-N 3.1Å; F42-T46 PolarHBondContact O-OG1 3.1Å; C43-T46 PolarHBondContact O-N 2.83Å; T46-F48 WeakPolarHBondContact O-CD2 3.47Å; T46-F48 PolarHBondContact O-N 3.05Å; T46-F48 PolarHBondContact OG1-N 3.22Å; T46-L63 HydrophobicContact CG2-CD1 4.04Å; T46-L63 HydrophobicContact CG2-CD2 3.89Å; T46-R94 CarbonylContact O-C 3.55Å; T46-R94 WeakPolarHBondContact O-CA 3.35Å; T46-R94 WeakPolarHBondContact O-CB 3.45Å; T46-K95 PolarHBondContact O-N 3.45Å; T46-F100 HydrophobicContact CG2-CZ 4.15Å |
| 47 | G | 88.3 | Confident | 89.4 | Confident | 45 Ų | 45 | 53 Ų | 53 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | trans | 73.4 | -0.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C43 K95 | C43-G47 WeakPolarHBondContact O-CA 3.19Å; C43-G47 PolarHBondContact O-N 3.27Å; G47-K95 WeakPolarHBondContact O-CB 3.49Å; G47-K95 VanDerWaalsContact O-CD 3.26Å; G47-K95 WeakPolarHBondContact O-CD 3.48Å | ||
| 48 | F | 90.5 | Very high | 89.3 | Confident | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | trans | -86.9 | 139.8 | 177.4 | -72.2 | -89.8 | 0 | 0 | 0 | 111.3 | C43 T46 D52 I53 F62 L63 K95 | C43-F48 WeakPolarHBondContact CA-O 3.29Å; C43-F48 VanDerWaalsContact CB-O 3.27Å; C43-F48 WeakPolarHBondContact CB-O 3.5Å; T46-F48 WeakPolarHBondContact O-CD2 3.47Å; T46-F48 PolarHBondContact O-N 3.05Å; T46-F48 PolarHBondContact OG1-N 3.22Å; F48-D52 HydrophobicContact CB-CB 4.2Å; F48-D52 HydrophobicContact CD1-CB 3.85Å; F48-I53 HydrophobicContact CB-CD1 3.81Å; F48-I53 HydrophobicContact CB-CG1 3.78Å; F48-I53 WeakPolarHBondContact O-CD1 3.32Å; F48-F62 HydrophobicContact CD1-CD2 4.44Å; F48-F62 HydrophobicContact CD2-CD2 4.33Å; F48-F62 HydrophobicContact CD2-CE2 4.48Å; F48-F62 HydrophobicContact CE1-CD2 4.42Å; F48-F62 HydrophobicContact CE2-CD2 4.31Å; F48-F62 HydrophobicContact CG-CD2 4.39Å; F48-F62 HydrophobicContact CG-CE2 4.5Å; F48-F62 HydrophobicContact CZ-CD2 4.35Å; F48-L63 HydrophobicContact CD2-CD2 3.82Å; F48-L63 HydrophobicContact CE2-CD2 3.72Å; F48-K95 HydrophobicContact CD1-CB 4.28Å; F48-K95 HydrophobicContact CD1-CD 3.85Å; F48-K95 HydrophobicContact CD1-CG 4.16Å; F48-K95 HydrophobicContact CD2-CB 3.99Å; F48-K95 HydrophobicContact CE1-CB 4.21Å; F48-K95 HydrophobicContact CE1-CD 4.17Å; F48-K95 HydrophobicContact CE1-CG 4.02Å; F48-K95 HydrophobicContact CE2-CB 3.92Å; F48-K95 HydrophobicContact CG-CB 4.18Å; F48-K95 HydrophobicContact CG-CD 4.24Å; F48-K95 HydrophobicContact CZ-CB 4.04Å; F48-K95 HydrophobicContact CZ-CG 4.26Å | ||
| 49 | S | 91.1 | Very high | 89.1 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -79.7 | 155.1 | 177 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | P51 D52 I53 | S49-P51 VanDerWaalsContact C-CD 3.5Å; S49-P51 VanDerWaalsContact C-N 3.3Å; S49-D52 WeakPolarHBondContact CB-OD2 3.44Å; S49-D52 PolarHBondContact N-OD2 2.96Å; S49-D52 WeakPolarHBondContact O-CB 3.4Å; S49-D52 PolarHBondContact O-N 3.05Å; S49-D52 PolarHBondContact OG-OD2 3.44Å; S49-I53 PolarHBondContact O-N 3.24Å | ||
| 50 | R | 89.4 | Confident | 89 | Confident | 123 Ų | 123 | 51.8 Ų | 51.8 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50.6 | -42.3 | 179.8 | -55.9 | -174.5 | -170.5 | 172.2 | -1.1 | 112.9 | D40 D52 I53 M54 | D40-R50 IonicContact OD1-CZ 3.68Å; D40-R50 IonicContact OD1-NE 2.73Å; D40-R50 PolarHBondContact OD1-NE 3.48Å; D40-R50 IonicContact OD1-NH2 3.75Å; D40-R50 PolarHBondContact OD1-NH2 3.19Å; D40-R50 IonicContact OD2-CZ 3.97Å; D40-R50 IonicContact OD2-NH2 2.77Å; D40-R50 PolarHBondContact OD2-NH2 3.42Å; R50-D52 VanDerWaalsContact C-N 3.33Å; R50-D52 PolarHBondContact O-N 2.91Å; R50-I53 PolarHBondContact O-N 3.18Å; R50-M54 WeakPolarHBondContact O-CB 3.35Å; R50-M54 WeakPolarHBondContact O-CG 3.45Å; R50-M54 PolarHBondContact O-N 2.97Å |
| 51 | P | 88.5 | Confident | 88.9 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 72% | 0.721 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.9 | -28 | 174.2 | -25.3 | 36.3 | 0 | 0 | 0 | 115.8 | S49 I53 | S49-P51 VanDerWaalsContact C-CD 3.5Å; S49-P51 VanDerWaalsContact C-N 3.3Å; P51-I53 VanDerWaalsContact C-N 3.31Å |
| 52 | D | 88.9 | Confident | 88.9 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.5 | -31.1 | 176.4 | -56.6 | -55.9 | 0 | 0 | 0 | 111.7 | F48 S49 R50 K56 K95 | F48-D52 HydrophobicContact CB-CB 4.2Å; F48-D52 HydrophobicContact CD1-CB 3.85Å; S49-D52 WeakPolarHBondContact CB-OD2 3.44Å; S49-D52 PolarHBondContact N-OD2 2.96Å; S49-D52 WeakPolarHBondContact O-CB 3.4Å; S49-D52 PolarHBondContact O-N 3.05Å; S49-D52 PolarHBondContact OG-OD2 3.44Å; R50-D52 VanDerWaalsContact C-N 3.33Å; R50-D52 PolarHBondContact O-N 2.91Å; D52-K56 WeakPolarHBondContact O-CE 3.24Å; D52-K56 WeakPolarHBondContact O-CG 3.27Å; D52-K95 VanDerWaalsContact CG-NZ 3.34Å; D52-K95 IonicContact OD1-NZ 3.85Å; D52-K95 PolarHBondContact OD1-NZ 2.95Å; D52-K95 IonicContact OD2-NZ 3.38Å; D52-K95 PolarHBondContact OD2-NZ 2.74Å |
| 53 | I | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -93.1 | -37.6 | -170.8 | -64.1 | 157.2 | 0 | 0 | 0 | 112.2 | I35 C38 F42 F48 S49 R50 P51 K56 F62 | I35-I53 HydrophobicContact CD1-CG2 4.21Å; I35-I53 HydrophobicContact CG2-CG2 4.09Å; C38-I53 HydrophobicContact CB-CG2 4.01Å; F42-I53 HydrophobicContact CD1-CD1 3.92Å; F42-I53 HydrophobicContact CE1-CD1 3.78Å; F42-I53 HydrophobicContact CE1-CG1 4.16Å; F42-I53 HydrophobicContact CE1-CG2 3.99Å; F48-I53 HydrophobicContact CB-CD1 3.81Å; F48-I53 HydrophobicContact CB-CG1 3.78Å; F48-I53 WeakPolarHBondContact O-CD1 3.32Å; S49-I53 PolarHBondContact O-N 3.24Å; R50-I53 PolarHBondContact O-N 3.18Å; P51-I53 VanDerWaalsContact C-N 3.31Å; I53-K56 WeakPolarHBondContact O-CB 3.48Å; I53-K56 WeakPolarHBondContact O-CG 3.26Å; I53-K56 PolarHBondContact O-N 3.16Å; I53-F62 HydrophobicContact CB-CZ 4.41Å; I53-F62 HydrophobicContact CG1-CE2 4.03Å; I53-F62 HydrophobicContact CG1-CZ 4.14Å; I53-F62 HydrophobicContact CG2-CZ 4.16Å |
| 54 | M | 87.9 | Confident | 88.7 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 145.9 | -176.2 | -72 | -75.6 | -69.2 | 0 | 0 | 111.7 | I35 I36 R50 K56 | I35-M54 HydrophobicContact CG2-SD 4.47Å; I36-M54 VanDerWaalsContact C-SD 3.6Å; I36-M54 WeakPolarHBondContact O-CE 3.44Å; R50-M54 WeakPolarHBondContact O-CB 3.35Å; R50-M54 WeakPolarHBondContact O-CG 3.45Å; R50-M54 PolarHBondContact O-N 2.97Å; M54-K56 PolarHBondContact O-N 2.96Å |
| 55 | Q | 86 | Confident | 88.5 | Confident | 172 Ų | 172 | 49.7 Ų | 49.7 | 80% | 0.804 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -2.1 | -175.9 | -54.1 | -177.1 | -3.4 | 0 | 0 | 116.4 | I35 | I35-Q55 PolarHBondContact O-N 3.4Š|
| 56 | K | 89.4 | Confident | 88 | Confident | 97 Ų | 97 | 58 Ų | 58 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -68.4 | 156.8 | 168.8 | -60.7 | -63.6 | -175.1 | 177.9 | 0 | 111.5 | A34 I35 D52 I53 M54 F62 | A34-K56 WeakPolarHBondContact CA-O 3.43Å; I35-K56 HydrophobicContact CD1-CB 4.29Å; I35-K56 WeakPolarHBondContact CG1-O 3.44Å; I35-K56 PolarHBondContact N-O 3.2Å; D52-K56 WeakPolarHBondContact O-CE 3.24Å; D52-K56 WeakPolarHBondContact O-CG 3.27Å; I53-K56 WeakPolarHBondContact O-CB 3.48Å; I53-K56 WeakPolarHBondContact O-CG 3.26Å; I53-K56 PolarHBondContact O-N 3.16Å; M54-K56 PolarHBondContact O-N 2.96Å; K56-F62 HydrophobicContact CB-CD1 3.97Å; K56-F62 HydrophobicContact CB-CE1 3.77Å; K56-F62 HydrophobicContact CG-CD1 3.97Å; K56-F62 HydrophobicContact CG-CE1 4.03Å |
| 57 | P | 89.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 145.6 | 173.1 | 29.3 | -36.2 | 0 | 0 | 0 | 111.5 | N32 T59 C60 D61 | N32-P57 WeakPolarHBondContact O-CA 3.34Å; N32-P57 WeakPolarHBondContact O-CB 3.47Å; P57-T59 PolarHBondContact O-N 3.44Å; P57-C60 PolarHBondContact O-N 3.4Å; P57-C60 VanDerWaalsContact O-N 3.11Å; P57-D61 WeakPolarHBondContact CG-OD2 3.24Å |
| 58 | C | 86.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.2 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 115.8 | A26 C33 I35 C60 L121 | A26-C58 HydrophobicContact CB-CB 3.43Å; A26-C58 VanDerWaalsContact CB-CB 3.43Å; C33-C58 WeakPolarHBondContact CB-SG 3.46Å; C33-C58 WeakPolarHBondContact O-CB 3.38Å; C33-C58 PolarHBondContact O-N 3.11Å; C33-C58 VanDerWaalsContact O-N 3.15Å; C33-C58 PolarHBondContact O-SG 3.04Å; I35-C58 HydrophobicContact CG1-CB 4.35Å; C58-C60 PolarHBondContact O-N 3.3Å; C58-L121 HydrophobicContact CB-CD1 4.11Å; C58-L121 WeakPolarHBondContact O-CD2 3.41Å |
| 59 | T | 87.2 | Confident | 87.3 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | 165.2 | 41.2 | 0 | 0 | 0 | 0 | 112.6 | P57 D61 H64 A77 | P57-T59 PolarHBondContact O-N 3.44Å; T59-D61 WeakPolarHBondContact CB-OD1 3.5Å; T59-D61 PolarHBondContact OG1-OD1 3.25Å; T59-H64 PolarHBondContact O-CE1 3.03Å; T59-A77 HydrophobicContact CG2-CB 4.34Å |
| 60 | C | 87.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | 60.7 | 42.6 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | P57 C58 F62 L63 H64 | P57-C60 PolarHBondContact O-N 3.4Å; P57-C60 VanDerWaalsContact O-N 3.11Å; C58-C60 PolarHBondContact O-N 3.3Å; C60-F62 HydrophobicContact CB-CE1 4.17Å; C60-F62 HydrophobicContact CB-CZ 4.36Å; C60-F62 PolarHBondContact O-N 3.27Å; C60-L63 HydrophobicContact CB-CD1 4.03Å; C60-L63 HydrophobicContact CB-CG 4.27Å; C60-L63 WeakPolarHBondContact O-CB 3.41Å; C60-L63 PolarHBondContact O-N 2.83Å; C60-H64 PolarHBondContact O-CE1 3.21Å; C60-H64 PolarHBondContact O-ND1 2.81Å | ||
| 61 | D | 86.8 | Confident | 87.1 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -50.5 | -32 | -179.1 | -41.4 | -20.2 | 0 | 0 | 0 | 113.2 | P57 T59 L63 H64 | P57-D61 WeakPolarHBondContact CG-OD2 3.24Å; T59-D61 WeakPolarHBondContact CB-OD1 3.5Å; T59-D61 PolarHBondContact OG1-OD1 3.25Å; D61-L63 PolarHBondContact O-N 2.87Å; D61-H64 WeakPolarHBondContact O-CB 3.44Å; D61-H64 PolarHBondContact O-N 2.84Å; D61-H64 VanDerWaalsContact O-N 3.09Å |
| 62 | F | 88.4 | Confident | 86.9 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -70.2 | -7 | 178.6 | 64.2 | -90.3 | 0 | 0 | 0 | 114.7 | I35 F48 I53 K56 C60 | I35-F62 HydrophobicContact CD1-CE1 4.32Å; F48-F62 HydrophobicContact CD1-CD2 4.44Å; F48-F62 HydrophobicContact CD2-CD2 4.33Å; F48-F62 HydrophobicContact CD2-CE2 4.48Å; F48-F62 HydrophobicContact CE1-CD2 4.42Å; F48-F62 HydrophobicContact CE2-CD2 4.31Å; F48-F62 HydrophobicContact CG-CD2 4.39Å; F48-F62 HydrophobicContact CG-CE2 4.5Å; F48-F62 HydrophobicContact CZ-CD2 4.35Å; I53-F62 HydrophobicContact CB-CZ 4.41Å; I53-F62 HydrophobicContact CG1-CE2 4.03Å; I53-F62 HydrophobicContact CG1-CZ 4.14Å; I53-F62 HydrophobicContact CG2-CZ 4.16Å; K56-F62 HydrophobicContact CB-CD1 3.97Å; K56-F62 HydrophobicContact CB-CE1 3.77Å; K56-F62 HydrophobicContact CG-CD1 3.97Å; K56-F62 HydrophobicContact CG-CE1 4.03Å; C60-F62 HydrophobicContact CB-CE1 4.17Å; C60-F62 HydrophobicContact CB-CZ 4.36Å; C60-F62 PolarHBondContact O-N 3.27Å |
| 63 | L | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -101.1 | -4.9 | 171.3 | -59 | -177.2 | 0 | 0 | 0 | 112.7 | F42 T46 F48 C60 D61 Y92 H93 | F42-L63 HydrophobicContact CE2-CD1 4.4Å; F42-L63 HydrophobicContact CZ-CD1 4.04Å; T46-L63 HydrophobicContact CG2-CD1 4.04Å; T46-L63 HydrophobicContact CG2-CD2 3.89Å; F48-L63 HydrophobicContact CD2-CD2 3.82Å; F48-L63 HydrophobicContact CE2-CD2 3.72Å; C60-L63 HydrophobicContact CB-CD1 4.03Å; C60-L63 HydrophobicContact CB-CG 4.27Å; C60-L63 WeakPolarHBondContact O-CB 3.41Å; C60-L63 PolarHBondContact O-N 2.83Å; D61-L63 PolarHBondContact O-N 2.87Å; L63-Y92 HydrophobicContact CB-CD1 3.43Å; L63-Y92 VanDerWaalsContact CB-CD1 3.43Å; L63-Y92 HydrophobicContact CB-CE1 4Å; L63-Y92 HydrophobicContact CB-CG 3.86Å; L63-Y92 HydrophobicContact CD1-CD1 4.18Å; L63-Y92 HydrophobicContact CD1-CD2 4.21Å; L63-Y92 HydrophobicContact CD1-CE1 4.37Å; L63-Y92 HydrophobicContact CD1-CE2 4.4Å; L63-Y92 HydrophobicContact CD1-CG 4.1Å; L63-Y92 HydrophobicContact CG-CD1 4.47Å; L63-Y92 WeakPolarHBondContact O-CA 3.46Å; L63-H93 PolarHBondContact O-N 2.88Å |
| 64 | H | 89.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | trans | -80.9 | 148 | 178.3 | -56.7 | -2 | 0 | 0 | 0 | 110.5 | T59 C60 D61 T68 I73 Y92 | T59-H64 PolarHBondContact O-CE1 3.03Å; C60-H64 PolarHBondContact O-CE1 3.21Å; C60-H64 PolarHBondContact O-ND1 2.81Å; D61-H64 WeakPolarHBondContact O-CB 3.44Å; D61-H64 PolarHBondContact O-N 2.84Å; D61-H64 VanDerWaalsContact O-N 3.09Å; H64-T68 HydrophobicContact CB-CG2 4.27Å; H64-I73 HydrophobicContact CB-CD1 4.43Å; H64-Y92 AromaticContact ND1-CE1 3.93Å | ||
| 65 | G | 84.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | trans | -158.2 | -168.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L67 T68 H93 | G65-L67 PolarHBondContact O-N 3.36Å; G65-L67 VanDerWaalsContact O-N 3.12Å; G65-T68 PolarHBondContact N-OG1 2.69Å; G65-T68 WeakPolarHBondContact O-CB 3.46Å; G65-T68 PolarHBondContact O-N 3.32Å; G65-T68 PolarHBondContact O-OG1 3.41Å; G65-H93 VanDerWaalsContact C-CE1 3.48Å; G65-H93 WeakPolarHBondContact CA-CE1 3.21Å; G65-H93 WeakPolarHBondContact CA-ND1 3.09Å; G65-H93 PolarHBondContact N-ND1 3.39Å | ||
| 66 | D | 79 | Confident | 87 | Confident | 175 Ų | 175 | 63.2 Ų | 63.2 | 94% | 0.936 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.1 | -168.3 | -61.6 | -38.5 | 0 | 0 | 0 | 114.1 | ||
| 67 | L | 79.6 | Confident | 87 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 7.6 | 176 | -59.6 | 175.8 | 0 | 0 | 0 | 114.1 | G65 T91 | G65-L67 PolarHBondContact O-N 3.36Å; G65-L67 VanDerWaalsContact O-N 3.12Å; L67-T91 HydrophobicContact CB-CG2 4.45Å |
| 68 | T | 86.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -90.5 | 116.6 | -178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | H64 G65 K70 I73 I90 T91 H93 | H64-T68 HydrophobicContact CB-CG2 4.27Å; G65-T68 PolarHBondContact N-OG1 2.69Å; G65-T68 WeakPolarHBondContact O-CB 3.46Å; G65-T68 PolarHBondContact O-N 3.32Å; G65-T68 PolarHBondContact O-OG1 3.41Å; T68-K70 PolarHBondContact O-N 2.77Å; T68-I73 HydrophobicContact CG2-CD1 3.75Å; T68-I73 HydrophobicContact CG2-CG1 3.77Å; T68-I90 HydrophobicContact CG2-CD1 3.77Å; T68-I90 HydrophobicContact CG2-CG1 3.73Å; T68-T91 WeakPolarHBondContact CB-O 3.32Å; T68-T91 WeakPolarHBondContact CG2-O 3.5Å; T68-T91 PolarHBondContact OG1-O 3.08Å; T68-H93 PolarHBondContact OG1-CE1 2.92Å; T68-H93 PolarHBondContact OG1-ND1 2.75Å |
| 69 | D | 88 | Confident | 87 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | trans | -60.3 | 123.1 | -179 | -81.6 | -44.1 | 0 | 0 | 0 | 113.8 | E71 A72 I73 | D69-E71 PolarHBondContact O-N 3.1Å; D69-A72 HydrophobicContact CB-CB 4Å; D69-A72 WeakPolarHBondContact O-CB 3.37Å; D69-A72 PolarHBondContact O-N 3.33Å; D69-I73 WeakPolarHBondContact O-CG1 3.45Å; D69-I73 PolarHBondContact O-N 2.91Å | ||
| 70 | K | 86.8 | Confident | 86.9 | Confident | 169 Ų | 169 | 62.1 Ų | 62.1 | 74% | 0.735 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -28.9 | 178.4 | -66.4 | 178.2 | -178.7 | 175.2 | 0 | 112.8 | T68 N74 | T68-K70 PolarHBondContact O-N 2.77Å; K70-N74 WeakPolarHBondContact O-CB 3.43Å; K70-N74 VanDerWaalsContact O-CG 3.31Å; K70-N74 PolarHBondContact O-N 2.92Å; K70-N74 VanDerWaalsContact O-N 3.11Å; K70-N74 PolarHBondContact O-ND2 2.87Å; K70-N74 VanDerWaalsContact O-ND2 3.11Å |
| 71 | E | 88.3 | Confident | 86.8 | Confident | 152 Ų | 152 | 69.4 Ų | 69.4 | 71% | 0.71 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.7 | -38.5 | 173.2 | -63.6 | -166.8 | -177 | 0 | 0 | 112 | D69 N74 Q75 | D69-E71 PolarHBondContact O-N 3.1Å; E71-N74 PolarHBondContact O-N 3.38Å; E71-Q75 VanDerWaalsContact O-CG 3.29Å; E71-Q75 WeakPolarHBondContact O-CG 3.04Å; E71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | A | 85.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D69 N74 Q75 V76 V88 E89 I90 | D69-A72 HydrophobicContact CB-CB 4Å; D69-A72 WeakPolarHBondContact O-CB 3.37Å; D69-A72 PolarHBondContact O-N 3.33Å; A72-N74 VanDerWaalsContact C-N 3.33Å; A72-N74 PolarHBondContact O-N 2.99Å; A72-Q75 PolarHBondContact O-N 2.91Å; A72-Q75 VanDerWaalsContact O-N 3.16Å; A72-V76 WeakPolarHBondContact O-CG2 3.09Å; A72-V76 PolarHBondContact O-N 3.24Å; A72-V88 HydrophobicContact CB-CG1 4.05Å; A72-E89 WeakPolarHBondContact CB-O 3.49Å; A72-I90 HydrophobicContact CB-CB 4Å; A72-I90 HydrophobicContact CB-CD1 4Å; A72-I90 HydrophobicContact CB-CG1 3.94Å |
| 73 | I | 88.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 173 | -62 | 169.7 | 0 | 0 | 0 | 110.4 | H64 T68 D69 Q75 V76 A77 I90 | H64-I73 HydrophobicContact CB-CD1 4.43Å; T68-I73 HydrophobicContact CG2-CD1 3.75Å; T68-I73 HydrophobicContact CG2-CG1 3.77Å; D69-I73 WeakPolarHBondContact O-CG1 3.45Å; D69-I73 PolarHBondContact O-N 2.91Å; I73-Q75 VanDerWaalsContact C-N 3.32Å; I73-Q75 PolarHBondContact O-N 2.79Å; I73-V76 PolarHBondContact O-N 2.87Å; I73-A77 PolarHBondContact O-N 3.08Å; I73-I90 HydrophobicContact CG1-CD1 4.13Å |
| 74 | N | 89 | Confident | 86.2 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.2 | -76.5 | -33.9 | 0 | 0 | 0 | 112.6 | K70 E71 A72 Q78 | K70-N74 WeakPolarHBondContact O-CB 3.43Å; K70-N74 VanDerWaalsContact O-CG 3.31Å; K70-N74 PolarHBondContact O-N 2.92Å; K70-N74 VanDerWaalsContact O-N 3.11Å; K70-N74 PolarHBondContact O-ND2 2.87Å; K70-N74 VanDerWaalsContact O-ND2 3.11Å; E71-N74 PolarHBondContact O-N 3.38Å; A72-N74 VanDerWaalsContact C-N 3.33Å; A72-N74 PolarHBondContact O-N 2.99Å; N74-Q78 WeakPolarHBondContact O-CB 3.49Å; N74-Q78 VanDerWaalsContact O-CG 3.23Å; N74-Q78 WeakPolarHBondContact O-CG 3.23Å; N74-Q78 PolarHBondContact O-N 3.29Å |
| 75 | Q | 89 | Confident | 86.2 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 175.5 | -72.9 | 174.1 | 50.5 | 0 | 0 | 112.9 | E71 A72 I73 A79 V88 | E71-Q75 VanDerWaalsContact O-CG 3.29Å; E71-Q75 WeakPolarHBondContact O-CG 3.04Å; E71-Q75 PolarHBondContact O-N 3.4Å; A72-Q75 PolarHBondContact O-N 2.91Å; A72-Q75 VanDerWaalsContact O-N 3.16Å; I73-Q75 VanDerWaalsContact C-N 3.32Å; I73-Q75 PolarHBondContact O-N 2.79Å; Q75-A79 WeakPolarHBondContact O-CB 3.3Å; Q75-A79 PolarHBondContact O-N 3.18Å; Q75-V88 HydrophobicContact CB-CG1 3.98Å; Q75-V88 HydrophobicContact CB-CG2 3.88Å |
| 76 | V | 88 | Confident | 86.4 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 172.9 | 167.3 | 0 | 0 | 0 | 0 | 110.4 | A72 I73 Q78 A79 V80 V88 I106 | A72-V76 WeakPolarHBondContact O-CG2 3.09Å; A72-V76 PolarHBondContact O-N 3.24Å; I73-V76 PolarHBondContact O-N 2.87Å; V76-Q78 VanDerWaalsContact C-N 3.35Å; V76-Q78 PolarHBondContact O-N 3.07Å; V76-A79 PolarHBondContact O-N 3.05Å; V76-V80 PolarHBondContact O-N 3.34Å; V76-V88 HydrophobicContact CG2-CB 4.05Å; V76-V88 HydrophobicContact CG2-CG1 4.07Å; V76-V88 HydrophobicContact CG2-CG2 4.2Å; V76-I106 HydrophobicContact CB-CD1 4.25Å; V76-I106 HydrophobicContact CG1-CD1 3.99Å; V76-I106 HydrophobicContact CG2-CD1 4.26Å |
| 77 | A | 88.8 | Confident | 87 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T59 I73 A79 V80 L81 | T59-A77 HydrophobicContact CG2-CB 4.34Å; I73-A77 PolarHBondContact O-N 3.08Å; A77-A79 PolarHBondContact O-N 2.96Å; A77-V80 PolarHBondContact O-N 3.49Å; A77-L81 WeakPolarHBondContact O-CB 3.47Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 2.62Å |
| 78 | Q | 88.8 | Confident | 87.5 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 175.3 | -77.8 | 177.5 | 10.6 | 0 | 0 | 113.4 | N74 V76 G82 | N74-Q78 WeakPolarHBondContact O-CB 3.49Å; N74-Q78 VanDerWaalsContact O-CG 3.23Å; N74-Q78 WeakPolarHBondContact O-CG 3.23Å; N74-Q78 PolarHBondContact O-N 3.29Å; V76-Q78 VanDerWaalsContact C-N 3.35Å; V76-Q78 PolarHBondContact O-N 3.07Å; Q78-G82 WeakPolarHBondContact O-CA 3.49Å; Q78-G82 PolarHBondContact O-N 2.98Å |
| 79 | A | 87.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q75 V76 A77 S83 E84 R86 I106 | Q75-A79 WeakPolarHBondContact O-CB 3.3Å; Q75-A79 PolarHBondContact O-N 3.18Å; V76-A79 PolarHBondContact O-N 3.05Å; A77-A79 PolarHBondContact O-N 2.96Å; A79-S83 PolarHBondContact O-N 3.44Å; A79-E84 PolarHBondContact O-N 3.07Å; A79-R86 HydrophobicContact CB-CB 3.72Å; A79-I106 HydrophobicContact CB-CB 4.42Å; A79-I106 HydrophobicContact CB-CD1 3.69Å; A79-I106 HydrophobicContact CB-CG2 4.42Å |
| 80 | V | 86.6 | Confident | 87.9 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -55.7 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | C33 V76 A77 G82 S83 I106 F119 | C33-V80 HydrophobicContact CB-CG1 4.3Å; V76-V80 PolarHBondContact O-N 3.34Å; A77-V80 PolarHBondContact O-N 3.49Å; V80-G82 PolarHBondContact O-N 3.35Å; V80-S83 PolarHBondContact O-N 2.89Å; V80-I106 HydrophobicContact CG2-CG2 4.34Å; V80-F119 HydrophobicContact CG1-CD2 4.41Å; V80-F119 HydrophobicContact CG1-CE2 3.95Å; V80-F119 HydrophobicContact CG1-CZ 4.02Å; V80-F119 WeakPolarHBondContact O-CZ 3.38Å |
| 81 | L | 85.5 | Confident | 88 | Confident | 152 Ų | 152 | 61.5 Ų | 61.5 | 80% | 0.796 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | -178.2 | -67.9 | 170.9 | 0 | 0 | 0 | 112.7 | A77 S83 | A77-L81 WeakPolarHBondContact O-CB 3.47Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 2.62Å; L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 2.67Å |
| 82 | G | 83.1 | Confident | 88.2 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.1 | -12.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q78 V80 E84 | Q78-G82 WeakPolarHBondContact O-CA 3.49Å; Q78-G82 PolarHBondContact O-N 2.98Å; V80-G82 PolarHBondContact O-N 3.35Å; G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.14Å |
| 83 | S | 84.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.4 | -178.3 | -69.1 | 0 | 0 | 0 | 0 | 113.8 | A79 V80 L81 P108 K110 | A79-S83 PolarHBondContact O-N 3.44Å; V80-S83 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 2.67Å; S83-P108 WeakPolarHBondContact O-CG 3.49Å; S83-K110 PolarHBondContact O-NZ 3.15Å |
| 84 | E | 84.2 | Confident | 88.5 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | trans | -104.7 | 148.1 | 178.9 | -64.2 | -171 | 159.1 | 0 | 0 | 111.5 | A79 G82 R86 | A79-E84 PolarHBondContact O-N 3.07Å; G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.14Å; E84-R86 PolarHBondContact O-N 3.29Å; E84-R86 IonicContact OE2-CZ 3.19Å; E84-R86 IonicContact OE2-NE 3.83Å; E84-R86 IonicContact OE2-NH2 2.89Å; E84-R86 PolarHBondContact OE2-NH2 3.11Å | ||
| 85 | E | 87.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | trans | -77.5 | 117 | 167.6 | -173.9 | 172 | -160.2 | 0 | 0 | 108.6 | H105 I106 | E85-H105 IonicContact OE1-CE1 3.76Å; E85-H105 PolarHBondContact OE1-CE1 3.44Å; E85-H105 IonicContact OE1-NE2 2.72Å; E85-I106 WeakPolarHBondContact CA-O 3.43Å | ||
| 86 | R | 89.1 | Confident | 88.4 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.3 | -175.7 | -160.4 | 176.5 | -70.3 | -169.2 | -1.5 | 111.2 | A79 E84 V88 I106 | A79-R86 HydrophobicContact CB-CB 3.72Å; E84-R86 PolarHBondContact O-N 3.29Å; E84-R86 IonicContact OE2-CZ 3.19Å; E84-R86 IonicContact OE2-NE 3.83Å; E84-R86 IonicContact OE2-NH2 2.89Å; E84-R86 PolarHBondContact OE2-NH2 3.11Å; R86-V88 HydrophobicContact CG-CG2 4.22Å; R86-I106 PolarHBondContact N-O 3.48Å; R86-I106 VanDerWaalsContact N-O 3.15Å; R86-I106 PolarHBondContact O-N 2.93Å |
| 87 | K | 91.4 | Very high | 88 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.7 | 169.7 | -166.6 | 167.4 | 176.6 | 165.5 | 0 | 108.7 | T103 H105 | K87-T103 WeakPolarHBondContact CE-OG1 3.34Å; K87-T103 PolarHBondContact NZ-OG1 3.48Å; K87-H105 HydrophobicContact CG-CB 4.41Å |
| 88 | V | 90.8 | Very high | 88 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.1 | 178 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | A72 Q75 V76 R86 T103 T104 | A72-V88 HydrophobicContact CB-CG1 4.05Å; Q75-V88 HydrophobicContact CB-CG1 3.98Å; Q75-V88 HydrophobicContact CB-CG2 3.88Å; V76-V88 HydrophobicContact CG2-CB 4.05Å; V76-V88 HydrophobicContact CG2-CG1 4.07Å; V76-V88 HydrophobicContact CG2-CG2 4.2Å; R86-V88 HydrophobicContact CG-CG2 4.22Å; V88-T103 CarbonylContact O-C 3.53Å; V88-T103 WeakPolarHBondContact O-CA 3.48Å; V88-T104 PolarHBondContact N-O 3.39Å; V88-T104 PolarHBondContact O-N 3.5Å |
| 89 | E | 91.5 | Very high | 88 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.4 | 174.1 | -169.1 | 165.1 | 161.4 | 0 | 0 | 108.9 | A72 Q101 T103 V126 | A72-E89 WeakPolarHBondContact CB-O 3.49Å; E89-Q101 PolarHBondContact OE1-NE2 3.07Å; E89-T103 HydrophobicContact CB-CG2 4.48Å; E89-T103 HydrophobicContact CG-CG2 4.2Å; E89-V126 HydrophobicContact CG-CG2 4Å; E89-V126 WeakPolarHBondContact OE1-CG2 3.48Å |
| 90 | I | 90.6 | Very high | 88 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 138.2 | -167.1 | -172.6 | 164.8 | 0 | 0 | 0 | 111 | T68 A72 I73 Y92 C102 | T68-I90 HydrophobicContact CG2-CD1 3.77Å; T68-I90 HydrophobicContact CG2-CG1 3.73Å; A72-I90 HydrophobicContact CB-CB 4Å; A72-I90 HydrophobicContact CB-CD1 4Å; A72-I90 HydrophobicContact CB-CG1 3.94Å; I73-I90 HydrophobicContact CG1-CD1 4.13Å; I90-Y92 HydrophobicContact CD1-CD1 4.49Å; I90-Y92 HydrophobicContact CD1-CE1 3.82Å; I90-Y92 HydrophobicContact CG1-CD1 4.39Å; I90-Y92 HydrophobicContact CG1-CE1 4.11Å; I90-Y92 HydrophobicContact CG2-CD1 4.45Å; I90-Y92 HydrophobicContact CG2-CD2 4.13Å; I90-Y92 HydrophobicContact CG2-CE1 3.92Å; I90-Y92 HydrophobicContact CG2-CE2 3.54Å; I90-Y92 VanDerWaalsContact CG2-CZ 3.42Å; I90-C102 PolarHBondContact N-O 2.94Å; I90-C102 PolarHBondContact O-N 3.15Å; I90-C102 VanDerWaalsContact O-O 3.05Å |
| 91 | T | 90.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 17% | 0.166 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.2 | 173.7 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | L67 T68 D99 | L67-T91 HydrophobicContact CB-CG2 4.45Å; T68-T91 WeakPolarHBondContact CB-O 3.32Å; T68-T91 WeakPolarHBondContact CG2-O 3.5Å; T68-T91 PolarHBondContact OG1-O 3.08Å; T91-D99 HydrophobicContact CG2-CB 4.1Å |
| 92 | Y | 91.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 157.9 | 176.6 | -71.9 | -47.5 | 0 | 0 | 0 | 111.1 | L63 H64 I90 D99 F100 C102 T104 F123 | L63-Y92 HydrophobicContact CB-CD1 3.43Å; L63-Y92 VanDerWaalsContact CB-CD1 3.43Å; L63-Y92 HydrophobicContact CB-CE1 4Å; L63-Y92 HydrophobicContact CB-CG 3.86Å; L63-Y92 HydrophobicContact CD1-CD1 4.18Å; L63-Y92 HydrophobicContact CD1-CD2 4.21Å; L63-Y92 HydrophobicContact CD1-CE1 4.37Å; L63-Y92 HydrophobicContact CD1-CE2 4.4Å; L63-Y92 HydrophobicContact CD1-CG 4.1Å; L63-Y92 HydrophobicContact CG-CD1 4.47Å; L63-Y92 WeakPolarHBondContact O-CA 3.46Å; H64-Y92 AromaticContact ND1-CE1 3.93Å; I90-Y92 HydrophobicContact CD1-CD1 4.49Å; I90-Y92 HydrophobicContact CD1-CE1 3.82Å; I90-Y92 HydrophobicContact CG1-CD1 4.39Å; I90-Y92 HydrophobicContact CG1-CE1 4.11Å; I90-Y92 HydrophobicContact CG2-CD1 4.45Å; I90-Y92 HydrophobicContact CG2-CD2 4.13Å; I90-Y92 HydrophobicContact CG2-CE1 3.92Å; I90-Y92 HydrophobicContact CG2-CE2 3.54Å; I90-Y92 VanDerWaalsContact CG2-CZ 3.42Å; Y92-D99 CarbonylContact O-C 3.47Å; Y92-D99 WeakPolarHBondContact O-CA 3.39Å; Y92-F100 HydrophobicContact CD2-CE2 4.22Å; Y92-F100 HydrophobicContact CD2-CZ 4.21Å; Y92-F100 HydrophobicContact CG-CZ 4.37Å; Y92-F100 PolarHBondContact N-O 2.82Å; Y92-F100 WeakPolarHBondContact O-CD1 3.48Å; Y92-F100 PolarHBondContact O-N 3.15Å; Y92-C102 HydrophobicContact CD2-CB 3.79Å; Y92-C102 HydrophobicContact CE2-CB 4.23Å; Y92-T104 VanDerWaalsContact CE2-OG1 3.26Å; Y92-T104 WeakPolarHBondContact CE2-OG1 3.43Å; Y92-T104 PolarHBondContact OH-OG1 2.81Å; Y92-F123 AromaticContact CE2-CD1 3.84Å; Y92-F123 HydrophobicContact CE2-CD1 3.84Å; Y92-F123 AromaticContact CE2-CE1 3.72Å; Y92-F123 HydrophobicContact CE2-CE1 3.72Å |
| 93 | H | 89.7 | Confident | 88.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.9 | 176 | -56.9 | 73.9 | 0 | 0 | 0 | 109.9 | L63 G65 T68 | L63-H93 PolarHBondContact O-N 2.88Å; G65-H93 VanDerWaalsContact C-CE1 3.48Å; G65-H93 WeakPolarHBondContact CA-CE1 3.21Å; G65-H93 WeakPolarHBondContact CA-ND1 3.09Å; G65-H93 PolarHBondContact N-ND1 3.39Å; T68-H93 PolarHBondContact OG1-CE1 2.92Å; T68-H93 PolarHBondContact OG1-ND1 2.75Å |
| 94 | R | 90.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | trans | -84.7 | 166.4 | 173.6 | -65.3 | -168 | -170.6 | 80.5 | 3.5 | 111.5 | M45 T46 D96 G97 S98 D99 F100 Y125 | M45-R94 WeakPolarHBondContact O-CD 3.34Å; M45-R94 PolarHBondContact O-NE 2.78Å; T46-R94 CarbonylContact O-C 3.55Å; T46-R94 WeakPolarHBondContact O-CA 3.35Å; T46-R94 WeakPolarHBondContact O-CB 3.45Å; R94-D96 VanDerWaalsContact CB-OD1 3.23Å; R94-D96 WeakPolarHBondContact CB-OD1 3.34Å; R94-D96 PolarHBondContact O-N 2.84Å; R94-D96 VanDerWaalsContact O-N 3.15Å; R94-G97 PolarHBondContact O-N 3.43Å; R94-S98 WeakPolarHBondContact CD-OG 3.18Å; R94-S98 PolarHBondContact N-O 3.48Å; R94-S98 PolarHBondContact NH1-OG 3.28Å; R94-D99 PolarHBondContact NH1-O 3.48Å; R94-F100 HydrophobicContact CG-CD1 3.66Å; R94-F100 HydrophobicContact CG-CE1 3.64Å; R94-Y125 PolarHBondContact NH2-OH 2.8Å; R94-Y125 VanDerWaalsContact NH2-OH 3.1Å | ||
| 95 | K | 88.5 | Confident | 89.5 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.2 | 174.6 | -163.1 | 170.9 | -172 | 174.2 | 0 | 114.3 | T46 G47 F48 D52 | T46-K95 PolarHBondContact O-N 3.45Å; G47-K95 WeakPolarHBondContact O-CB 3.49Å; G47-K95 VanDerWaalsContact O-CD 3.26Å; G47-K95 WeakPolarHBondContact O-CD 3.48Å; F48-K95 HydrophobicContact CD1-CB 4.28Å; F48-K95 HydrophobicContact CD1-CD 3.85Å; F48-K95 HydrophobicContact CD1-CG 4.16Å; F48-K95 HydrophobicContact CD2-CB 3.99Å; F48-K95 HydrophobicContact CE1-CB 4.21Å; F48-K95 HydrophobicContact CE1-CD 4.17Å; F48-K95 HydrophobicContact CE1-CG 4.02Å; F48-K95 HydrophobicContact CE2-CB 3.92Å; F48-K95 HydrophobicContact CG-CB 4.18Å; F48-K95 HydrophobicContact CG-CD 4.24Å; F48-K95 HydrophobicContact CZ-CB 4.04Å; F48-K95 HydrophobicContact CZ-CG 4.26Å; D52-K95 VanDerWaalsContact CG-NZ 3.34Å; D52-K95 IonicContact OD1-NZ 3.85Å; D52-K95 PolarHBondContact OD1-NZ 2.95Å; D52-K95 IonicContact OD2-NZ 3.38Å; D52-K95 PolarHBondContact OD2-NZ 2.74Å |
| 96 | D | 86.7 | Confident | 89.6 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 65% | 0.652 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.9 | 173.4 | 64.1 | 11.6 | 0 | 0 | 0 | 113.9 | R94 S98 | R94-D96 VanDerWaalsContact CB-OD1 3.23Å; R94-D96 WeakPolarHBondContact CB-OD1 3.34Å; R94-D96 PolarHBondContact O-N 2.84Å; R94-D96 VanDerWaalsContact O-N 3.15Å; D96-S98 VanDerWaalsContact OD1-CB 3.28Å; D96-S98 WeakPolarHBondContact OD1-CB 3.2Å; D96-S98 PolarHBondContact OD1-N 3.38Å; D96-S98 PolarHBondContact OD1-OG 3.01Å; D96-S98 PolarHBondContact OD2-OG 2.81Å |
| 97 | G | 81.1 | Confident | 89.6 | Confident | 57 Ų | 57 | 46 Ų | 46 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 87.3 | -4.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | R94 | R94-G97 PolarHBondContact O-N 3.43Š|
| 98 | S | 87.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | trans | -74.2 | 138 | 176 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | R94 D96 | R94-S98 WeakPolarHBondContact CD-OG 3.18Å; R94-S98 PolarHBondContact N-O 3.48Å; R94-S98 PolarHBondContact NH1-OG 3.28Å; D96-S98 VanDerWaalsContact OD1-CB 3.28Å; D96-S98 WeakPolarHBondContact OD1-CB 3.2Å; D96-S98 PolarHBondContact OD1-N 3.38Å; D96-S98 PolarHBondContact OD1-OG 3.01Å; D96-S98 PolarHBondContact OD2-OG 2.81Å | ||
| 99 | D | 88.7 | Confident | 89.2 | Confident | 92 Ų | 92 | 41.9 Ų | 41.9 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 158.8 | 174.9 | 63 | -52.1 | 0 | 0 | 0 | 112.2 | T91 Y92 R94 | T91-D99 HydrophobicContact CG2-CB 4.1Å; Y92-D99 CarbonylContact O-C 3.47Å; Y92-D99 WeakPolarHBondContact O-CA 3.39Å; R94-D99 PolarHBondContact NH1-O 3.48Å |
| 100 | F | 89.1 | Confident | 88.7 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 135.6 | 167.8 | 65.6 | -77.8 | 0 | 0 | 0 | 112.1 | M45 T46 Y92 R94 C102 Y125 | M45-F100 HydrophobicContact CE-CE2 3.93Å; M45-F100 HydrophobicContact CE-CZ 4.1Å; M45-F100 HydrophobicContact CG-CE2 3.88Å; M45-F100 HydrophobicContact CG-CZ 4.18Å; M45-F100 HydrophobicContact SD-CE2 3.9Å; T46-F100 HydrophobicContact CG2-CZ 4.15Å; Y92-F100 HydrophobicContact CD2-CE2 4.22Å; Y92-F100 HydrophobicContact CD2-CZ 4.21Å; Y92-F100 HydrophobicContact CG-CZ 4.37Å; Y92-F100 PolarHBondContact N-O 2.82Å; Y92-F100 WeakPolarHBondContact O-CD1 3.48Å; Y92-F100 PolarHBondContact O-N 3.15Å; R94-F100 HydrophobicContact CG-CD1 3.66Å; R94-F100 HydrophobicContact CG-CE1 3.64Å; F100-C102 HydrophobicContact CD2-CB 3.94Å; F100-C102 HydrophobicContact CE2-CB 3.82Å; F100-Y125 HydrophobicContact CB-CE1 4.14Å; F100-Y125 AromaticContact CD2-CD1 3.85Å; F100-Y125 HydrophobicContact CD2-CD1 3.85Å; F100-Y125 AromaticContact CD2-CE1 3.54Å; F100-Y125 HydrophobicContact CD2-CE1 3.54Å; F100-Y125 HydrophobicContact CE2-CE1 4.2Å; F100-Y125 HydrophobicContact CG-CE1 4.03Å |
| 101 | Q | 89.3 | Confident | 88.2 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.4 | 175.6 | -161.5 | 176.7 | -18.4 | 0 | 0 | 110 | E89 V126 | E89-Q101 PolarHBondContact OE1-NE2 3.07Å; Q101-V126 HydrophobicContact CB-CB 4.16Å; Q101-V126 HydrophobicContact CB-CG2 4.41Å; Q101-V126 HydrophobicContact CG-CB 3.99Å; Q101-V126 HydrophobicContact CG-CG1 4.41Å; Q101-V126 HydrophobicContact CG-CG2 3.9Å; Q101-V126 PolarHBondContact O-N 2.91Å |
| 102 | C | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 143 | -172.4 | -170.3 | 0 | 0 | 0 | 0 | 111 | I90 Y92 F100 D124 | I90-C102 PolarHBondContact N-O 2.94Å; I90-C102 PolarHBondContact O-N 3.15Å; I90-C102 VanDerWaalsContact O-O 3.05Å; Y92-C102 HydrophobicContact CD2-CB 3.79Å; Y92-C102 HydrophobicContact CE2-CB 4.23Å; F100-C102 HydrophobicContact CD2-CB 3.94Å; F100-C102 HydrophobicContact CE2-CB 3.82Å; C102-D124 WeakPolarHBondContact CA-O 3.27Å; C102-D124 PolarHBondContact SG-O 2.87Å |
| 103 | T | 91.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.8 | 164.9 | 74.2 | 0 | 0 | 0 | 0 | 110.1 | K87 V88 E89 D124 V126 | K87-T103 WeakPolarHBondContact CE-OG1 3.34Å; K87-T103 PolarHBondContact NZ-OG1 3.48Å; V88-T103 CarbonylContact O-C 3.53Å; V88-T103 WeakPolarHBondContact O-CA 3.48Å; E89-T103 HydrophobicContact CB-CG2 4.48Å; E89-T103 HydrophobicContact CG-CG2 4.2Å; T103-D124 PolarHBondContact N-O 2.7Å; T103-D124 PolarHBondContact O-N 3.32Å; T103-D124 VanDerWaalsContact O-N 3.13Å; T103-V126 HydrophobicContact CG2-CG2 3.54Å |
| 104 | T | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.4 | 173 | -56.9 | 0 | 0 | 0 | 0 | 109 | V88 Y92 I106 L121 F123 | V88-T104 PolarHBondContact N-O 3.39Å; V88-T104 PolarHBondContact O-N 3.5Å; Y92-T104 VanDerWaalsContact CE2-OG1 3.26Å; Y92-T104 WeakPolarHBondContact CE2-OG1 3.43Å; Y92-T104 PolarHBondContact OH-OG1 2.81Å; T104-I106 HydrophobicContact CG2-CG1 4.03Å; T104-L121 HydrophobicContact CG2-CD2 4.1Å; T104-F123 HydrophobicContact CG2-CD1 4.14Å; T104-F123 HydrophobicContact CG2-CE1 3.65Å; T104-F123 HydrophobicContact CG2-CZ 4.06Å; T104-F123 WeakPolarHBondContact OG1-CD1 3.44Å; T104-F123 WeakPolarHBondContact OG1-CE1 3.36Å |
| 105 | H | 91.7 | Very high | 85.2 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.8 | 175.7 | -170.2 | -129.1 | 0 | 0 | 0 | 110.3 | E85 K87 L121 N122 | E85-H105 IonicContact OE1-CE1 3.76Å; E85-H105 PolarHBondContact OE1-CE1 3.44Å; E85-H105 IonicContact OE1-NE2 2.72Å; K87-H105 HydrophobicContact CG-CB 4.41Å; H105-L121 WeakPolarHBondContact O-CA 3.39Å; H105-N122 HydrophobicContact CB-CB 4.46Å; H105-N122 PolarHBondContact N-O 3.47Å; H105-N122 PolarHBondContact O-N 3.12Å |
| 106 | I | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.1 | -173.3 | -56.7 | 165.1 | 0 | 0 | 0 | 108 | V76 A79 V80 E85 R86 T104 F119 L121 | V76-I106 HydrophobicContact CB-CD1 4.25Å; V76-I106 HydrophobicContact CG1-CD1 3.99Å; V76-I106 HydrophobicContact CG2-CD1 4.26Å; A79-I106 HydrophobicContact CB-CB 4.42Å; A79-I106 HydrophobicContact CB-CD1 3.69Å; A79-I106 HydrophobicContact CB-CG2 4.42Å; V80-I106 HydrophobicContact CG2-CG2 4.34Å; E85-I106 WeakPolarHBondContact CA-O 3.43Å; R86-I106 PolarHBondContact N-O 3.48Å; R86-I106 VanDerWaalsContact N-O 3.15Å; R86-I106 PolarHBondContact O-N 2.93Å; T104-I106 HydrophobicContact CG2-CG1 4.03Å; I106-F119 HydrophobicContact CG2-CD1 4.11Å; I106-L121 HydrophobicContact CG1-CD2 4.18Å; I106-L121 HydrophobicContact CG1-CG 4.19Å |
| 107 | I | 89.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 108 | -175.8 | -51.4 | 173 | 0 | 0 | 0 | 109.3 | V109 I120 | I107-V109 PolarHBondContact O-N 3.18Å; I107-I120 HydrophobicContact CB-CB 4.39Å; I107-I120 PolarHBondContact N-O 3.15Å; I107-I120 PolarHBondContact O-N 3.11Å |
| 108 | P | 88.8 | Confident | 85 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.2 | 176.5 | 30.2 | -33.3 | 0 | 0 | 0 | 111.5 | S83 V116 F119 | S83-P108 WeakPolarHBondContact O-CG 3.49Å; P108-V116 HydrophobicContact CB-CG1 4.16Å; P108-V116 HydrophobicContact CB-CG2 4.23Å; P108-F119 HydrophobicContact CB-CD1 4.03Å; P108-F119 HydrophobicContact CB-CE1 3.86Å |
| 109 | V | 83.6 | Confident | 85 | Confident | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112.3 | 177.7 | -176 | 0 | 0 | 0 | 0 | 109.5 | F8 I107 M117 M118 I120 L382 | F8-V109 HydrophobicContact CE1-CG1 4.02Å; F8-V109 HydrophobicContact CZ-CG1 3.85Å; I107-V109 PolarHBondContact O-N 3.18Å; V109-M117 PolarHBondContact O-N 2.92Å; V109-M118 HydrophobicContact CB-CB 4.3Å; V109-M118 WeakPolarHBondContact CB-O 3.34Å; V109-M118 PolarHBondContact N-O 3.32Å; V109-M118 PolarHBondContact O-N 2.85Å; V109-I120 HydrophobicContact CG2-CD1 3.67Å; V109-I120 HydrophobicContact CG2-CG1 3.87Å; V109-L382 HydrophobicContact CG1-CD2 4.05Å |
| 110 | K | 82.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.4 | -177.1 | -69.3 | 169.5 | -175.2 | 175.2 | 0 | 111.1 | S83 G114 V115 V116 L382 | S83-K110 PolarHBondContact O-NZ 3.15Å; K110-G114 WeakPolarHBondContact CG-O 3.41Å; K110-V115 CarbonylContact C-O 3.54Å; K110-V115 WeakPolarHBondContact CA-O 3.41Å; K110-V116 HydrophobicContact CD-CG2 4.28Å; K110-V116 HydrophobicContact CG-CB 4.46Å; K110-V116 HydrophobicContact CG-CG2 3.7Å; K110-L382 WeakPolarHBondContact O-CD1 3.41Å; K110-L382 WeakPolarHBondContact O-CD2 3.39Å |
| 111 | N | 78.7 | Confident | 85.2 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | trans | -72.1 | 172.5 | 172.4 | -165.4 | 25.8 | 0 | 0 | 0 | 111 | E113 G114 V115 M117 | N111-E113 PolarHBondContact ND2-OE2 3.09Å; N111-E113 PolarHBondContact O-N 3.38Å; N111-E113 VanDerWaalsContact O-N 3.1Å; N111-G114 WeakPolarHBondContact O-CA 3.41Å; N111-G114 PolarHBondContact O-N 3.21Å; N111-V115 PolarHBondContact N-O 3.4Å; N111-M117 HydrophobicContact CB-CG 3.85Å; N111-M117 HydrophobicContact CB-SD 4.13Å | ||
| 112 | E | 71.7 | Confident | 85.4 | Confident | 102 Ų | 102 | 33.9 Ų | 33.9 | 48% | 0.477 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.7 | 171 | -63.9 | 179.3 | 143.2 | 0 | 0 | 112.7 | G114 R391 | E112-G114 VanDerWaalsContact C-N 3.29Å; E112-G114 PolarHBondContact O-N 2.57Å; E112-R391 IonicContact OE1-CZ 2.66Å; E112-R391 IonicContact OE1-NH1 2.68Å; E112-R391 IonicContact OE1-NH2 2.62Å; E112-R391 PolarHBondContact OE1-NH2 3.22Å |
| 113 | E | 73.7 | Confident | 85.4 | Confident | 146 Ų | 146 | 33.9 Ų | 33.9 | 68% | 0.682 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.8 | 173.6 | -61.2 | 163.8 | 149.7 | 0 | 0 | 113.8 | N111 V115 | N111-E113 PolarHBondContact ND2-OE2 3.09Å; N111-E113 PolarHBondContact O-N 3.38Å; N111-E113 VanDerWaalsContact O-N 3.1Å; E113-V115 HydrophobicContact CB-CG2 4.37Å; E113-V115 PolarHBondContact O-N 3.24Å |
| 114 | G | 74.1 | Confident | 85.4 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 79.1 | -12.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K110 N111 E112 | K110-G114 WeakPolarHBondContact CG-O 3.41Å; N111-G114 WeakPolarHBondContact O-CA 3.41Å; N111-G114 PolarHBondContact O-N 3.21Å; E112-G114 VanDerWaalsContact C-N 3.29Å; E112-G114 PolarHBondContact O-N 2.57Å |
| 115 | V | 80.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | trans | -70.2 | 131.9 | -179.7 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | K110 N111 E113 | K110-V115 CarbonylContact C-O 3.54Å; K110-V115 WeakPolarHBondContact CA-O 3.41Å; N111-V115 PolarHBondContact N-O 3.4Å; E113-V115 HydrophobicContact CB-CG2 4.37Å; E113-V115 PolarHBondContact O-N 3.24Å | ||
| 116 | V | 81.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 135.1 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | A28 P108 K110 F119 | A28-V116 HydrophobicContact CB-CB 4.29Å; A28-V116 HydrophobicContact CB-CG1 3.64Å; P108-V116 HydrophobicContact CB-CG1 4.16Å; P108-V116 HydrophobicContact CB-CG2 4.23Å; K110-V116 HydrophobicContact CD-CG2 4.28Å; K110-V116 HydrophobicContact CG-CB 4.46Å; K110-V116 HydrophobicContact CG-CG2 3.7Å; V116-F119 HydrophobicContact CG1-CE1 4.32Å; V116-F119 HydrophobicContact CG1-CE2 4.33Å; V116-F119 HydrophobicContact CG1-CZ 4.08Å |
| 117 | M | 82.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -43.2 | -179.4 | -62.6 | -61.5 | -64.2 | 0 | 0 | 111.9 | A28 R29 V109 N111 | A28-M117 PolarHBondContact N-O 2.96Å; A28-M117 VanDerWaalsContact N-O 3.15Å; R29-M117 VanDerWaalsContact CZ-SD 3.6Å; R29-M117 PolarHBondContact NE-SD 3.12Å; R29-M117 PolarHBondContact NH2-SD 3.35Å; V109-M117 PolarHBondContact O-N 2.92Å; N111-M117 HydrophobicContact CB-CG 3.85Å; N111-M117 HydrophobicContact CB-SD 4.13Å |
| 118 | M | 87.8 | Confident | 81.8 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | -175.2 | -60.2 | -69.5 | 172.4 | 0 | 0 | 109.9 | I25 A26 N27 I36 V109 | I25-M118 HydrophobicContact CG2-CB 4.22Å; I25-M118 HydrophobicContact CG2-CG 4.45Å; I25-M118 HydrophobicContact CG2-SD 4.35Å; A26-M118 CarbonylContact O-C 3.58Å; A26-M118 VanDerWaalsContact O-CA 3.23Å; A26-M118 WeakPolarHBondContact O-CA 3.48Å; N27-M118 HydrophobicContact CB-SD 4.06Å; I36-M118 HydrophobicContact CD1-CE 3.82Å; I36-M118 HydrophobicContact CD1-SD 3.57Å; I36-M118 VanDerWaalsContact CD1-SD 3.57Å; V109-M118 HydrophobicContact CB-CB 4.3Å; V109-M118 WeakPolarHBondContact CB-O 3.34Å; V109-M118 PolarHBondContact N-O 3.32Å; V109-M118 PolarHBondContact O-N 2.85Å |
| 119 | F | 88.6 | Confident | 80 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.4 | 162 | -63.9 | -84.8 | 0 | 0 | 0 | 109.2 | I25 A26 A28 V80 I106 P108 V116 L121 | I25-F119 WeakPolarHBondContact CA-O 3.46Å; A26-F119 PolarHBondContact N-O 2.86Å; A26-F119 PolarHBondContact O-N 3.17Å; A28-F119 HydrophobicContact CB-CD2 3.81Å; A28-F119 HydrophobicContact CB-CE2 3.46Å; A28-F119 VanDerWaalsContact CB-CE2 3.46Å; A28-F119 HydrophobicContact CB-CZ 4.32Å; V80-F119 HydrophobicContact CG1-CD2 4.41Å; V80-F119 HydrophobicContact CG1-CE2 3.95Å; V80-F119 HydrophobicContact CG1-CZ 4.02Å; V80-F119 WeakPolarHBondContact O-CZ 3.38Å; I106-F119 HydrophobicContact CG2-CD1 4.11Å; P108-F119 HydrophobicContact CB-CD1 4.03Å; P108-F119 HydrophobicContact CB-CE1 3.86Å; V116-F119 HydrophobicContact CG1-CE1 4.32Å; V116-F119 HydrophobicContact CG1-CE2 4.33Å; V116-F119 HydrophobicContact CG1-CZ 4.08Å; F119-L121 HydrophobicContact CB-CD1 3.88Å |
| 120 | I | 90.5 | Very high | 77.8 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.8 | 166.8 | -57.5 | 170.7 | 0 | 0 | 0 | 106.9 | I12 F16 F23 I25 I107 V109 | I12-I120 HydrophobicContact CD1-CD1 4.22Å; I12-I120 HydrophobicContact CG2-CD1 3.82Å; F16-I120 HydrophobicContact CE1-CG2 4.07Å; F16-I120 HydrophobicContact CZ-CD1 4.47Å; F16-I120 HydrophobicContact CZ-CG2 4.26Å; F23-I120 HydrophobicContact CD2-CG2 4.46Å; I25-I120 HydrophobicContact CG1-CG1 4.4Å; I107-I120 HydrophobicContact CB-CB 4.39Å; I107-I120 PolarHBondContact N-O 3.15Å; I107-I120 PolarHBondContact O-N 3.11Å; V109-I120 HydrophobicContact CG2-CD1 3.67Å; V109-I120 HydrophobicContact CG2-CG1 3.87Å |
| 121 | L | 91.5 | Very high | 75.6 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.2 | 174.8 | -69.1 | 84.7 | 0 | 0 | 0 | 108.3 | F23 V24 C58 T104 H105 I106 F119 F123 | F23-L121 CarbonylContact C-O 3.52Å; F23-L121 WeakPolarHBondContact CA-O 3.37Å; F23-L121 VanDerWaalsContact CB-O 3.31Å; F23-L121 WeakPolarHBondContact CB-O 3.16Å; V24-L121 PolarHBondContact N-O 3.03Å; V24-L121 PolarHBondContact O-N 2.77Å; C58-L121 HydrophobicContact CB-CD1 4.11Å; C58-L121 WeakPolarHBondContact O-CD2 3.41Å; T104-L121 HydrophobicContact CG2-CD2 4.1Å; H105-L121 WeakPolarHBondContact O-CA 3.39Å; I106-L121 HydrophobicContact CG1-CD2 4.18Å; I106-L121 HydrophobicContact CG1-CG 4.19Å; F119-L121 HydrophobicContact CB-CD1 3.88Å; L121-F123 HydrophobicContact CB-CE2 3.59Å; L121-F123 HydrophobicContact CB-CZ 3.81Å; L121-F123 HydrophobicContact CD2-CZ 4.15Å; L121-F123 WeakPolarHBondContact O-CD2 3.42Å; L121-F123 WeakPolarHBondContact O-CE2 3.26Å |
| 122 | N | 91.8 | Very high | 73.4 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137 | 174.1 | -175.1 | 92.6 | 0 | 0 | 0 | 110.2 | R21 H105 D124 | R21-N122 WeakPolarHBondContact CB-OD1 3.34Å; R21-N122 WeakPolarHBondContact CD-OD1 3.34Å; R21-N122 WeakPolarHBondContact CG-OD1 3.39Å; H105-N122 HydrophobicContact CB-CB 4.46Å; H105-N122 PolarHBondContact N-O 3.47Å; H105-N122 PolarHBondContact O-N 3.12Å; N122-D124 VanDerWaalsContact ND2-CG 3.26Å; N122-D124 PolarHBondContact ND2-OD1 2.74Å; N122-D124 PolarHBondContact ND2-OD2 2.96Å; N122-D124 VanDerWaalsContact ND2-OD2 3.08Å |
| 123 | F | 91.3 | Very high | 71.5 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.7 | -173.9 | -61.4 | -94.2 | 0 | 0 | 0 | 110.4 | K22 V24 F42 M45 Y92 T104 L121 | K22-F123 HydrophobicContact CB-CB 4.5Å; K22-F123 PolarHBondContact O-N 2.98Å; V24-F123 HydrophobicContact CB-CE2 4.11Å; V24-F123 HydrophobicContact CG2-CD2 4.49Å; V24-F123 HydrophobicContact CG2-CE2 3.78Å; F42-F123 HydrophobicContact CD2-CB 4.45Å; F42-F123 AromaticContact CD2-CD2 3.51Å; F42-F123 HydrophobicContact CD2-CD2 3.51Å; F42-F123 AromaticContact CD2-CE2 3.82Å; F42-F123 HydrophobicContact CD2-CE2 3.82Å; F42-F123 AromaticContact CD2-CG 3.97Å; F42-F123 HydrophobicContact CD2-CG 3.97Å; F42-F123 HydrophobicContact CD2-CZ 4.49Å; F42-F123 HydrophobicContact CE2-CD1 4.09Å; F42-F123 AromaticContact CE2-CD2 3.53Å; F42-F123 HydrophobicContact CE2-CD2 3.53Å; F42-F123 HydrophobicContact CE2-CE1 4Å; F42-F123 AromaticContact CE2-CE2 3.44Å; F42-F123 HydrophobicContact CE2-CE2 3.44Å; F42-F123 VanDerWaalsContact CE2-CE2 3.44Å; F42-F123 AromaticContact CE2-CG 3.87Å; F42-F123 HydrophobicContact CE2-CG 3.87Å; F42-F123 AromaticContact CE2-CZ 3.69Å; F42-F123 HydrophobicContact CE2-CZ 3.69Å; F42-F123 HydrophobicContact CZ-CE2 4.32Å; F42-F123 HydrophobicContact CZ-CZ 4.37Å; M45-F123 HydrophobicContact CE-CB 3.63Å; M45-F123 HydrophobicContact CE-CD1 4.38Å; M45-F123 HydrophobicContact CE-CG 4.07Å; M45-F123 HydrophobicContact SD-CB 4.07Å; Y92-F123 AromaticContact CE2-CD1 3.84Å; Y92-F123 HydrophobicContact CE2-CD1 3.84Å; Y92-F123 AromaticContact CE2-CE1 3.72Å; Y92-F123 HydrophobicContact CE2-CE1 3.72Å; T104-F123 HydrophobicContact CG2-CD1 4.14Å; T104-F123 HydrophobicContact CG2-CE1 3.65Å; T104-F123 HydrophobicContact CG2-CZ 4.06Å; T104-F123 WeakPolarHBondContact OG1-CD1 3.44Å; T104-F123 WeakPolarHBondContact OG1-CE1 3.36Å; L121-F123 HydrophobicContact CB-CE2 3.59Å; L121-F123 HydrophobicContact CB-CZ 3.81Å; L121-F123 HydrophobicContact CD2-CZ 4.15Å; L121-F123 WeakPolarHBondContact O-CD2 3.42Å; L121-F123 WeakPolarHBondContact O-CE2 3.26Å |
| 124 | D | 90 | Very high | 69.5 | Low | 66 Ų | 66 | 71.8 Ų | 71.8 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.1 | 175.8 | -55.1 | -51.6 | 0 | 0 | 0 | 109.6 | C102 T103 N122 | C102-D124 WeakPolarHBondContact CA-O 3.27Å; C102-D124 PolarHBondContact SG-O 2.87Å; T103-D124 PolarHBondContact N-O 2.7Å; T103-D124 PolarHBondContact O-N 3.32Å; T103-D124 VanDerWaalsContact O-N 3.13Å; N122-D124 VanDerWaalsContact ND2-CG 3.26Å; N122-D124 PolarHBondContact ND2-OD1 2.74Å; N122-D124 PolarHBondContact ND2-OD2 2.96Å; N122-D124 VanDerWaalsContact ND2-OD2 3.08Å |
| 125 | Y | 88.1 | Confident | 67.6 | Low | 104 Ų | 104 | 75.7 Ų | 75.7 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.1 | 171.1 | -75.2 | -48.6 | 0 | 0 | 0 | 110 | M45 R94 F100 | M45-Y125 HydrophobicContact CG-CE1 3.77Å; M45-Y125 HydrophobicContact SD-CE1 4.32Å; R94-Y125 PolarHBondContact NH2-OH 2.8Å; R94-Y125 VanDerWaalsContact NH2-OH 3.1Å; F100-Y125 HydrophobicContact CB-CE1 4.14Å; F100-Y125 AromaticContact CD2-CD1 3.85Å; F100-Y125 HydrophobicContact CD2-CD1 3.85Å; F100-Y125 AromaticContact CD2-CE1 3.54Å; F100-Y125 HydrophobicContact CD2-CE1 3.54Å; F100-Y125 HydrophobicContact CE2-CE1 4.2Å; F100-Y125 HydrophobicContact CG-CE1 4.03Å |
| 126 | V | 82.8 | Confident | 65.4 | Low | 43 Ų | 43 | 79.8 Ų | 79.8 | 26% | 0.261 | 44% | 0.443 | S | S | . | . | trans | -69.5 | 136.6 | 164.8 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | E89 Q101 T103 | E89-V126 HydrophobicContact CG-CG2 4Å; E89-V126 WeakPolarHBondContact OE1-CG2 3.48Å; Q101-V126 HydrophobicContact CB-CB 4.16Å; Q101-V126 HydrophobicContact CB-CG2 4.41Å; Q101-V126 HydrophobicContact CG-CB 3.99Å; Q101-V126 HydrophobicContact CG-CG1 4.41Å; Q101-V126 HydrophobicContact CG-CG2 3.9Å; Q101-V126 PolarHBondContact O-N 2.91Å; T103-V126 HydrophobicContact CG2-CG2 3.54Å | ||
| 127 | V | 68.5 | Low | 62.9 | Low | 99 Ų | 99 | 84 Ų | 84 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | trans | -119.5 | 110.5 | 175 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 128 | D | 48.3 | Very low | 60.6 | Low | 147 Ų | 147 | 90.3 Ų | 90.3 | 79% | 0.786 | 50% | 0.498 | S | S | * | . | trans | -69.1 | 129.1 | -179.1 | -162.1 | 12.6 | 0 | 0 | 0 | 110.8 | ||||
| 129 | E | 51.4 | Low | 57.7 | Low | 172 Ų | 172 | 94.1 Ų | 94.1 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -107.7 | 79.6 | 175.7 | -75.5 | -162.6 | 166.5 | 0 | 0 | 109.3 | R152 | E129-R152 IonicContact OE1-NH2 2.8Š| ||
| 130 | G | 38.4 | Very low | 55.5 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | trans | -110.4 | 135.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 131 | S | 35.9 | Very low | 52.4 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | trans | 50.1 | 112.3 | 155.5 | 63.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 132 | D | 32.4 | Very low | 49.3 | Very low | 162 Ų | 162 | 108.6 Ų | 108.6 | 87% | 0.866 | 63% | 0.631 | S | S | * | * | trans | -137.3 | 85.7 | 159.5 | -109.4 | -35 | 0 | 0 | 0 | 109.3 | ||||
| 133 | H | 31.8 | Very low | 46.9 | Very low | 200 Ų | 200 | 113.5 Ų | 113.5 | 93% | 0.926 | 66% | 0.663 | S | S | * | * | trans | -168.3 | 76.8 | 171.1 | -103.3 | -51.5 | 0 | 0 | 0 | 114.5 | ||||
| 134 | S | 32.3 | Very low | 43.8 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -166.4 | 146.1 | 150.9 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 135 | T | 33.8 | Very low | 40.8 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | -108.6 | 145.6 | -177.7 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | E | 33.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | 167.2 | 131.8 | 108.8 | -83.1 | -143.3 | 129.9 | 0 | 0 | 115.1 | |||||
| 137 | N | 30.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 105.2 | 135.2 | -58.2 | -29.5 | 0 | 0 | 0 | 124.6 | ||||
| 138 | I | 32 | Very low | 33.2 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | 90.6 | 139.8 | 126.4 | -62.6 | 168.7 | 0 | 0 | 0 | 119 | |||||
| 139 | S | 26.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -107 | -180 | -164.7 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 140 | P | 43.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | cis | -135.3 | -162.2 | 16 | 45.4 | -24.6 | 0 | 0 | 0 | 113.4 | ||||
| 141 | A | 24.7 | Very low | 30.6 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | cis | -156 | 149.1 | 8.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 142 | S | 26.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 152.5 | 152.1 | 75.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 143 | P | 41.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -126.3 | -174.8 | -20.6 | 35.6 | -17.3 | 0 | 0 | 0 | 113.8 | ||||
| 144 | T | 26.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 49.9 | 100.3 | 165 | 48.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 145 | K | 27.2 | Very low | 29.8 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | 49.7 | 125.3 | 70 | -59 | -171.9 | 177.7 | -177.9 | 0 | 113.1 | |||||
| 146 | S | 27.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | cis | -152.1 | 147.3 | 9.9 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 147 | D | 26.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | -148.2 | 174.2 | 172.3 | -178.5 | 30.2 | 0 | 0 | 0 | 109.7 | ||||
| 148 | Q | 25.8 | Very low | 29.2 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 80.2 | 141.1 | 162.9 | -59.1 | -162.1 | 12.4 | 0 | 0 | 118.9 | ||||
| 149 | R | 27.8 | Very low | 29.1 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 76% | 0.758 | 73% | 0.728 | S | S | * | * | cis | -162 | 177.6 | -22 | -130.8 | 177.9 | -179.5 | -164 | 1.2 | 111.2 | ||||
| 150 | R | 29.8 | Very low | 28.9 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -40.4 | 156.7 | 161.9 | -60.2 | 168.6 | 175.6 | 171.3 | -3 | 112.6 | ||||
| 151 | S | 25.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | -172.7 | -176.2 | 67.5 | -159.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 152 | R | 41.8 | Very low | 28 | Very low | 194 Ų | 194 | 145 Ų | 145 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -93.3 | 152.9 | -161.8 | -58.7 | 163.8 | -76.9 | -172.2 | -3.8 | 115.1 | E129 | E129-R152 IonicContact OE1-NH2 2.8Š| ||
| 153 | F | 25.2 | Very low | 28 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | -171.5 | 167.7 | 147.6 | -93.2 | -47.2 | 0 | 0 | 0 | 109.8 | ||||
| 154 | F | 24.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | cis | -137.3 | -86 | -5.4 | -136.2 | -40.5 | 0 | 0 | 0 | 113.8 | ||||
| 155 | R | 24.1 | Very low | 27 | Very low | 120 Ų | 120 | 151 Ų | 151 | 45% | 0.453 | 74% | 0.738 | S | S | . | * | trans | -154.9 | 141.8 | -174.5 | -67.4 | 177.4 | -176.1 | 175.8 | -1 | 112.9 | R363 | R155-R363 PolarHBondContact NH1-O 2.88Š| ||
| 156 | F | 30 | Very low | 27 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 48% | 0.482 | 73% | 0.728 | S | S | . | * | trans | -11.8 | 158.5 | 130.8 | -86.4 | -80.9 | 0 | 0 | 0 | 116.8 | N366 | F156-N366 HydrophobicContact CB-CB 3.57Å; F156-N366 VanDerWaalsContact CB-ND2 3.32Å; F156-N366 WeakPolarHBondContact CB-ND2 3.36Å; F156-N366 WeakPolarHBondContact CB-OD1 3.49Å; F156-N366 HydrophobicContact CD2-CB 3.83Å; F156-N366 HydrophobicContact CG-CB 3.97Å; F156-N366 PolarHBondContact O-ND2 2.81Å | ||
| 157 | R | 31 | Very low | 26.8 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 54% | 0.54 | 72% | 0.721 | S | S | . | * | cis | -169 | 143.5 | 8.8 | 174.8 | 176.2 | -177.7 | 161.1 | -1.5 | 108.4 | E369 | R157-E369 IonicContact NH1-OE1 2.7Å; R157-E369 PolarHBondContact NH1-OE1 2.8Å; R157-E369 IonicContact NH1-OE2 3.86Å; R157-E369 PolarHBondContact NH1-OE2 2.85Å | ||
| 158 | Q | 26.3 | Very low | 26.8 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -158.4 | 170.3 | 139.8 | -131.4 | 171.5 | -7 | 0 | 0 | 112.7 | ||||
| 159 | V | 28.1 | Very low | 26.8 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | trans | -125.5 | 136.7 | -169.5 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 160 | A | 23.2 | Very low | 26.6 | Very low | 81 Ų | 81 | 144.2 Ų | 144.2 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | trans | -172.3 | 144.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 161 | L | 26.2 | Very low | 26.6 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | 45.7 | 125.5 | 140.2 | -59.4 | 169.5 | 0 | 0 | 0 | 119.6 | ||||
| 162 | S | 23.1 | Very low | 27 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 89.3 | 145 | 53.7 | -170.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 163 | L | 26 | Very low | 26.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 76.1 | 163.6 | 172.5 | -80.8 | 157 | 0 | 0 | 0 | 119.3 | ||||
| 164 | M | 24.9 | Very low | 26.3 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 119.6 | -168.9 | -63.3 | 178.8 | 162.1 | 0 | 0 | 114.7 | ||||
| 165 | N | 22.5 | Very low | 26.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | cis | 64.3 | 130.8 | 4.3 | -157.7 | 16.7 | 0 | 0 | 0 | 117.6 | ||||
| 166 | T | 26.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | 64.9 | 149.7 | 178.7 | 69.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 167 | N | 23.3 | Very low | 27.8 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -167.7 | 146.2 | -32.6 | -166.4 | -2.7 | 0 | 0 | 0 | 108.6 | ||||
| 168 | K | 26.5 | Very low | 27.5 | Very low | 164 Ų | 164 | 139 Ų | 139 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 66.6 | 168 | 173 | -38.3 | -175.5 | -177.1 | 176.2 | 0 | 114.5 | ||||
| 169 | Q | 25.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | -153.7 | 147.8 | 5.9 | -149.6 | 151.6 | -48 | 0 | 0 | 112.5 | ||||
| 170 | S | 24.3 | Very low | 27.4 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 46.5 | 129 | 150 | 57.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 171 | L | 29.3 | Very low | 27.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -33.9 | 164.6 | 140 | -77.4 | 165 | 0 | 0 | 0 | 115 | ||||
| 172 | P | 34.8 | Very low | 27.6 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -150.5 | 170.2 | 37.4 | 45.1 | -25.4 | 0 | 0 | 0 | 120.4 | ||||
| 173 | Q | 26 | Very low | 27.6 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 49.7 | 132.7 | 134.9 | -169 | 172.6 | 3.6 | 0 | 0 | 122.5 | ||||
| 174 | E | 25.4 | Very low | 28.5 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -124.2 | 150.7 | 156.6 | -72.1 | -172.5 | 141.4 | 0 | 0 | 110.4 | ||||
| 175 | D | 25.5 | Very low | 28.6 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -153.6 | 157.6 | 159.4 | -97.8 | -44.4 | 0 | 0 | 0 | 107.7 | ||||
| 176 | P | 56.5 | Low | 28.9 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | trans | -111.7 | 171.3 | -158.6 | 41.3 | -35.5 | 0 | 0 | 0 | 116.7 | ||||
| 177 | D | 28.4 | Very low | 29 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | 166.2 | 171.5 | 121.9 | -95 | -17.9 | 0 | 0 | 0 | 116.8 | |||||
| 178 | A | 26 | Very low | 29.2 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | 80.5 | 118.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 179 | V | 26.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | cis | 79.9 | 136.5 | 20 | -167.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 180 | M | 25.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 77% | 0.768 | 73% | 0.732 | S | S | * | * | cis | -98.3 | -132.5 | 18.5 | -57.3 | -88.2 | -73.5 | 0 | 0 | 115.5 | ||||
| 181 | V | 28.4 | Very low | 29.9 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | cis | -150.6 | 158.1 | 24.2 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 182 | D | 25.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | -50.1 | 172.8 | 174.7 | -73.7 | -74.2 | 0 | 0 | 0 | 120.7 | ||||
| 183 | S | 22.7 | Very low | 29.6 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | 170.5 | -171.5 | -20.8 | -83 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 184 | P | 45.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | cis | -133.5 | -165.6 | -25 | 26.6 | -1.7 | 0 | 0 | 0 | 114.6 | ||||
| 185 | K | 27 | Very low | 29.4 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | 87.8 | 139.2 | 159.2 | -64 | 174.9 | 157.7 | -74.9 | 0 | 118.1 | ||||
| 186 | E | 27.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 73% | 0.726 | S | S | * | * | cis | -162.5 | 168.4 | -6.8 | -119.3 | 158.9 | 162.9 | 0 | 0 | 110.1 | ||||
| 187 | D | 28 | Very low | 28.7 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | -156 | -176.8 | -71.7 | -81.3 | -33.7 | 0 | 0 | 0 | 109.3 | |||||
| 188 | E | 29.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | 68.7 | 138.7 | 175.3 | -45.6 | -64.2 | 59.5 | 0 | 0 | 119.2 | ||||
| 189 | D | 26.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -139.9 | 135.3 | -0.2 | -104 | -37.8 | 0 | 0 | 0 | 109.5 | ||||
| 190 | S | 32.4 | Very low | 29.4 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | 84.3 | 136.9 | 57.7 | -57.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 191 | V | 30.9 | Very low | 29.5 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | cis | -140.8 | 128.5 | 11.5 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 192 | A | 29.7 | Very low | 29.2 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | 59.4 | 147.9 | 82 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 193 | L | 28.8 | Very low | 29 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | cis | -153.3 | -170.6 | -2.3 | -108.4 | 167.7 | 0 | 0 | 0 | 106.8 | ||||
| 194 | E | 25 | Very low | 29 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -140.3 | -115.1 | 14 | -145 | -156.6 | -58.6 | 0 | 0 | 115.8 | ||||
| 195 | S | 22.5 | Very low | 28.2 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | trans | -145.5 | 172.5 | -139.7 | 66.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 196 | F | 32.3 | Very low | 28.4 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | trans | -109 | 166.5 | 172.1 | -82.3 | -84 | 0 | 0 | 0 | 108.8 | ||||
| 197 | P | 33.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | -158.9 | -168 | 58 | 43.8 | -20 | 0 | 0 | 0 | 118.4 | |||||
| 198 | S | 38.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -111.6 | 158.9 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | P | 33.1 | Very low | 28.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 174.8 | 156.8 | 37.8 | -24.5 | 0 | 0 | 0 | 114 | ||||
| 200 | T | 24.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -128.7 | 149.6 | -177.2 | 44 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 201 | K | 27.1 | Very low | 28 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | 67.3 | 132.6 | 153.5 | -73.5 | 178.6 | 178.5 | 178.7 | 0 | 121.8 | ||||
| 202 | S | 22.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 108.2 | 160.3 | 132 | 79 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 203 | I | 21.1 | Very low | 28.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 87.4 | 157.5 | 171.3 | -58.3 | 175.2 | 0 | 0 | 0 | 116.3 | ||||
| 204 | C | 22.8 | Very low | 28.1 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 167.3 | -148.3 | -57.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 205 | S | 28.9 | Very low | 28.2 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -28.7 | 147.7 | 160.7 | 54.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 206 | P | 31.5 | Very low | 28.5 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -96.1 | 169.8 | 137.2 | 36.5 | -30.7 | 0 | 0 | 0 | 112.5 | ||||
| 207 | T | 24.6 | Very low | 28.1 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -114.3 | -174.6 | -176 | -44.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 208 | E | 27 | Very low | 27.8 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 82 | 139 | 163.7 | -63.3 | 178.9 | -171.5 | 0 | 0 | 117.4 | ||||
| 209 | A | 28.2 | Very low | 27.1 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | cis | -163.4 | 168.8 | -12 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 210 | N | 27.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 76.5 | 109.1 | 152.3 | -62.7 | -17.3 | 0 | 0 | 0 | 122.1 | ||||
| 211 | D | 27.3 | Very low | 26.7 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 51.6 | 143.4 | 100.2 | -69.3 | 23.3 | 0 | 0 | 0 | 121.2 | |||||
| 212 | T | 32 | Very low | 26.5 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | cis | -166.4 | 177.4 | 3.2 | 26.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 213 | R | 30.3 | Very low | 26.6 | Very low | 240 Ų | 240 | 133.1 Ų | 133.1 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | 82.5 | 154.6 | 163 | -46 | -170.8 | 177.4 | -164.5 | -2.8 | 115.8 | ||||
| 214 | A | 28.8 | Very low | 26.8 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | -139.7 | -176.5 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 215 | L | 27.6 | Very low | 26.9 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -105.4 | 149.1 | -168.7 | -68.5 | 166.9 | 0 | 0 | 0 | 115 | ||||
| 216 | I | 28 | Very low | 26.7 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 38.2 | 123.9 | 135.3 | -53.6 | 167.8 | 0 | 0 | 0 | 119.1 | ||||
| 217 | S | 24.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -144.5 | 150.6 | 133.7 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 218 | S | 27.3 | Very low | 26.5 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -152.7 | 135.1 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 219 | S | 24.9 | Very low | 27 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 172.7 | 157.5 | 166.4 | 28.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 220 | H | 25.9 | Very low | 26.9 | Very low | 150 Ų | 150 | 135 Ų | 135 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | cis | -166.3 | 148.8 | -36.5 | -121.5 | -84.1 | 0 | 0 | 0 | 109.8 | ||||
| 221 | H | 23.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 72.9 | 140.7 | 155 | -68.9 | -57.1 | 0 | 0 | 0 | 125.3 | ||||
| 222 | S | 22.5 | Very low | 27.7 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 77.1 | 147.7 | 157.3 | 79.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 223 | S | 24.2 | Very low | 27.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | -138.4 | -170.3 | 11.1 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 224 | Q | 25.7 | Very low | 27.2 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -132.3 | 158.5 | -162.7 | -138 | 179.2 | -1.1 | 0 | 0 | 112.1 | ||||
| 225 | A | 24.4 | Very low | 27 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 71.9 | 105.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 226 | S | 25.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 47.2 | 119.3 | 126.4 | 64.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 227 | I | 25.2 | Very low | 26.7 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -139.4 | 137 | 144.1 | -63.1 | -175.5 | 0 | 0 | 0 | 109.2 | ||||
| 228 | G | 25.8 | Very low | 26.7 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -118.1 | 166.8 | 152 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 229 | P | 37.1 | Very low | 26.6 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | -151.1 | -173.7 | 65.4 | 39.2 | -17.9 | 0 | 0 | 0 | 116.7 | |||||
| 230 | E | 26.6 | Very low | 27.5 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -56.8 | 179.3 | 154.7 | -118.5 | -177.4 | 169.2 | 0 | 0 | 113.1 | ||||
| 231 | P | 43.1 | Very low | 27.6 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | cis | -144.4 | -164.8 | 3 | 40.1 | -17.9 | 0 | 0 | 0 | 116.9 | ||||
| 232 | L | 28 | Very low | 27.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | 71.5 | 124.4 | 152.5 | -71.1 | 170.5 | 0 | 0 | 0 | 120.8 | ||||
| 233 | D | 24.2 | Very low | 28 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | -159.6 | 168.4 | 107.4 | -133.3 | -22.7 | 0 | 0 | 0 | 113.5 | |||||
| 234 | H | 27.8 | Very low | 28.1 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.676 | 74% | 0.742 | S | S | * | * | trans | -103.3 | -179.5 | -164.8 | -36.7 | -88.5 | 0 | 0 | 0 | 113.6 | ||||
| 235 | S | 25 | Very low | 28.1 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -168.5 | -179.5 | 7.3 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 236 | S | 25.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 104.4 | 146.9 | 142.9 | -65.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 237 | L | 24.2 | Very low | 28 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -118 | 162.7 | -169.7 | -68.5 | 69.8 | 0 | 0 | 0 | 112.3 | ||||
| 238 | K | 23.8 | Very low | 28 | Very low | 213 Ų | 213 | 139.8 Ų | 139.8 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | -156.8 | 146.9 | 120.5 | -115.1 | 168.1 | -174.3 | 174.7 | 0 | 114.9 | |||||
| 239 | V | 26.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -104.2 | -176.1 | 173.6 | -131.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 240 | P | 43.4 | Very low | 28.1 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | cis | -159.4 | 170.9 | 41.9 | 47.5 | -25.3 | 0 | 0 | 0 | 121.8 | ||||
| 241 | W | 28 | Very low | 28.1 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | 69.4 | 146.3 | 151.2 | -56.8 | 128.7 | 0 | 0 | 0 | 121.3 | ||||
| 242 | D | 26.7 | Very low | 27.2 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | cis | -173.4 | 175 | -31.3 | -150.5 | 11.3 | 0 | 0 | 0 | 114.8 | ||||
| 243 | K | 28.2 | Very low | 27 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | trans | 76.6 | 145.9 | 145.2 | -87.1 | 153.1 | -179.3 | 111.9 | 0 | 119 | ||||
| 244 | L | 25.9 | Very low | 27.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | cis | -176.8 | 156.3 | -6.9 | 152 | 158.2 | 0 | 0 | 0 | 108.1 | ||||
| 245 | Y | 25.2 | Very low | 27 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | cis | -142.5 | -153.3 | 13.3 | -144.6 | -18.7 | 0 | 0 | 0 | 112.8 | ||||
| 246 | Q | 24.1 | Very low | 27 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -133.8 | 158.5 | 168.9 | -58.7 | 167.4 | -76.8 | 0 | 0 | 110.1 | ||||
| 247 | T | 23.7 | Very low | 27 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -152.8 | 103.8 | 149.2 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 248 | E | 26.2 | Very low | 27 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 30.9 | 155.1 | 126.4 | -71.9 | -61.1 | 94.8 | 0 | 0 | 122.7 | |||||
| 249 | P | 39.6 | Very low | 27 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | -139 | -154.9 | -127.3 | 38 | -14.6 | 0 | 0 | 0 | 115.4 | |||||
| 250 | H | 25.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | 99 | 143.1 | 154 | -68 | -42.3 | 0 | 0 | 0 | 122.5 | ||||
| 251 | Q | 25.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | 78.4 | 91.6 | 142.2 | -78.2 | 171.9 | 29.9 | 0 | 0 | 123.1 | ||||
| 252 | S | 23.8 | Very low | 27.1 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | 80.6 | 135.8 | 109 | 72.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 253 | S | 25.2 | Very low | 27.2 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 97 | 151.8 | 136.5 | 82 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 254 | T | 25.8 | Very low | 27.1 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 69 | 152.4 | 171.7 | 71.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 255 | S | 24.9 | Very low | 27.2 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -164.9 | 158.9 | -42.8 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | L | 26.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -71.2 | 142.8 | 179.6 | -67.5 | 130.2 | 0 | 0 | 0 | 113.5 | ||||
| 257 | S | 23.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 150.9 | 125.6 | 109.1 | 59 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 258 | N | 26 | Very low | 27.4 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 41.2 | 150.5 | 140.8 | -67.9 | -4.6 | 0 | 0 | 0 | 126.6 | ||||
| 259 | T | 23.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 84.2 | 92.6 | 144.9 | 30.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 260 | F | 32.8 | Very low | 26.9 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | 34.6 | 137.3 | 127.6 | -65.4 | -68.2 | 0 | 0 | 0 | 121.5 | |||||
| 261 | P | 37.8 | Very low | 26.9 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | -152.5 | 153.7 | 85.9 | 39.8 | -21.8 | 0 | 0 | 0 | 119.6 | |||||
| 262 | R | 28.3 | Very low | 26.9 | Very low | 250 Ų | 250 | 140.3 Ų | 140.3 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | 30.9 | 109.9 | 137.5 | -161.7 | -176.1 | -160.4 | -174.8 | 6.4 | 119.6 | ||||
| 263 | G | 28.5 | Very low | 27 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -150.6 | 147.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 264 | S | 25.7 | Very low | 27.2 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -103.3 | 138.8 | -177.3 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 265 | T | 27.3 | Very low | 27.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | -175.2 | 159.5 | 127.2 | 20.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 266 | G | 26.5 | Very low | 27.5 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -133.5 | 154.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 267 | S | 27.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 108.4 | 169.2 | 174.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 268 | M | 24.9 | Very low | 27.7 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -131.3 | 133.7 | 132.3 | -159.8 | 155.9 | 70.7 | 0 | 0 | 110 | ||||
| 269 | R | 29 | Very low | 27.9 | Very low | 229 Ų | 229 | 140.5 Ų | 140.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -103.1 | 160.7 | 174.5 | -81.1 | -177.4 | 170 | -179.2 | -3 | 109.7 | ||||
| 270 | R | 24.7 | Very low | 28.2 | Very low | 234 Ų | 234 | 144.2 Ų | 144.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 92.6 | 153.7 | -169.6 | -172.9 | -72.2 | 167.9 | -5.6 | 117.7 | ||||
| 271 | A | 26.2 | Very low | 28 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 56.8 | 158.9 | 120.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 272 | S | 25.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 67.2 | 147.6 | 167.9 | 27.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 273 | S | 26.8 | Very low | 27.5 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | -175.2 | -158.5 | -10.2 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 274 | I | 28.3 | Very low | 27.4 | Very low | 132 Ų | 132 | 133 Ų | 133 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | trans | 76.9 | 143 | 157.9 | -76.3 | 162.6 | 0 | 0 | 0 | 114.7 | ||||
| 275 | H | 29.3 | Very low | 27.5 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -104.7 | 174.2 | 2.2 | -57.7 | -100.9 | 0 | 0 | 0 | 110.2 | ||||
| 276 | E | 27.6 | Very low | 27.3 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | cis | -165.4 | -170.1 | -20.8 | -107.5 | 160.4 | -148.8 | 0 | 0 | 107.1 | ||||
| 277 | I | 27.6 | Very low | 27.3 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | cis | -141.7 | 150.5 | 10.8 | -140.3 | 152 | 0 | 0 | 0 | 109.8 | ||||
| 278 | E | 27.8 | Very low | 27.2 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 23.7 | 144.3 | 160.9 | -57.5 | -175.1 | 131.7 | 0 | 0 | 121.8 | Y280 | E278-Y280 HydrophobicContact CB-CE2 4.2Å; E278-Y280 HydrophobicContact CG-CE2 3.81Å; E278-Y280 WeakPolarHBondContact OE1-CE2 3.2Å | ||
| 279 | G | 29.5 | Very low | 27.2 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | cis | 128.7 | 157.5 | 19.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | Y | 31.3 | Very low | 27 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | cis | -159.6 | 157.7 | -5 | -78.7 | -76.7 | 0 | 0 | 0 | 105.8 | E278 | E278-Y280 HydrophobicContact CB-CE2 4.2Å; E278-Y280 HydrophobicContact CG-CE2 3.81Å; E278-Y280 WeakPolarHBondContact OE1-CE2 3.2Å | ||
| 281 | S | 27.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | cis | -159.7 | -164.1 | -8.4 | 62.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 282 | S | 28.7 | Very low | 27 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -155.6 | -141.5 | 0.3 | 44.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 283 | N | 26.9 | Very low | 27 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | cis | -166 | 156.6 | -13.4 | -121.1 | -25.5 | 0 | 0 | 0 | 105.2 | ||||
| 284 | S | 28.3 | Very low | 26.9 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 51% | 0.51 | 73% | 0.726 | S | S | . | * | cis | -161.8 | 153.4 | -14.3 | 87.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 285 | K | 25.9 | Very low | 26.7 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | 67.6 | 149.3 | 159.1 | -61.2 | 167 | -172.3 | 173.4 | 0 | 118 | ||||
| 286 | S | 24.6 | Very low | 26.5 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -167.9 | 118.8 | -19.3 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 287 | V | 26.4 | Very low | 26.4 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | 85.4 | 108.3 | 97.6 | 169 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 288 | F | 25.7 | Very low | 26.3 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | 60.1 | 166.6 | 147.9 | -76.8 | -107 | 0 | 0 | 0 | 118.5 | ||||
| 289 | R | 25.2 | Very low | 26.1 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | cis | -144.3 | 171 | 19.1 | -158.1 | 177.3 | -173.2 | 169.7 | 3 | 112.9 | ||||
| 290 | D | 24.2 | Very low | 25.9 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | trans | -100 | 158.6 | -175.8 | -167.7 | 19.4 | 0 | 0 | 0 | 113.6 | ||||
| 291 | R | 26.3 | Very low | 25.7 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | 73.1 | 130.9 | 154.4 | -87.2 | 171.3 | 130.5 | 147.3 | -3.5 | 125.6 | ||||
| 292 | H | 23.5 | Very low | 26.2 | Very low | 136 Ų | 136 | 140 Ų | 140 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | trans | 73.7 | 124 | 138.4 | -71.9 | -57.8 | 0 | 0 | 0 | 123.4 | ||||
| 293 | T | 24.9 | Very low | 26.1 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 49.5 | 116.7 | 138.8 | 59.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 294 | S | 25.1 | Very low | 26.5 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | -166.4 | -178.8 | 99.8 | -151.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 295 | E | 24.4 | Very low | 26.4 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -69.9 | 168.8 | 176.9 | -51.1 | 166.1 | 122.5 | 0 | 0 | 113.5 | ||||
| 296 | G | 25.2 | Very low | 26.5 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 135 | 121.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 297 | N | 25.6 | Very low | 26.5 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | trans | -17.2 | 142.1 | 160.4 | -58.4 | -29 | 0 | 0 | 0 | 118.9 | ||||
| 298 | G | 26 | Very low | 26.6 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -135.4 | -51.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 299 | F | 23 | Very low | 26.5 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | trans | 66 | 134.4 | 169 | -160.5 | -139 | 0 | 0 | 0 | 119.8 | ||||
| 300 | K | 25.8 | Very low | 26.5 | Very low | 161 Ų | 161 | 135 Ų | 135 | 70% | 0.7 | 76% | 0.761 | S | S | * | * | trans | 68.6 | 133.8 | 172.9 | -64 | 167 | 173.9 | 169.7 | 0 | 116.6 | ||||
| 301 | S | 26 | Very low | 26.6 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | 84.8 | 147.7 | 28.5 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 302 | P | 38.5 | Very low | 26.7 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -142.4 | 135.1 | -10.2 | 32.4 | -10.2 | 0 | 0 | 0 | 118.2 | ||||
| 303 | G | 26.1 | Very low | 26.8 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 54.2 | -151.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 304 | P | 36.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | cis | -139.7 | 172 | -13.9 | 41.9 | -26 | 0 | 0 | 0 | 116.1 | ||||
| 305 | F | 24.8 | Very low | 26.7 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 67.8 | 158.3 | 159.6 | -62.4 | -53.5 | 0 | 0 | 0 | 118.5 | ||||
| 306 | N | 28.6 | Very low | 26.8 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -145.1 | 176.2 | 2.7 | -136.1 | -22 | 0 | 0 | 0 | 115.4 | ||||
| 307 | H | 25.6 | Very low | 26.9 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -57.7 | 164.8 | 177.9 | -72.1 | -131.1 | 0 | 0 | 0 | 114.2 | ||||
| 308 | V | 27.9 | Very low | 27 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | -153.1 | 162 | 73.3 | 163 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 309 | K | 23.7 | Very low | 27.2 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | trans | -97.1 | 150.8 | -172.6 | -57.3 | 178.1 | 174.8 | 178.9 | 0 | 114.8 | ||||
| 310 | S | 25.4 | Very low | 27.4 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 51.2 | 130.7 | 134.9 | 66.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 311 | S | 26.6 | Very low | 27.6 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | -167.6 | 127.6 | 106.1 | 59 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 312 | L | 27.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 62.3 | 123 | 143.5 | -63.5 | 167.4 | 0 | 0 | 0 | 123.4 | ||||
| 313 | L | 26.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | 59.5 | 127.7 | 138.1 | -66.2 | 166.5 | 0 | 0 | 0 | 121.2 | ||||
| 314 | G | 23.6 | Very low | 27.4 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 172 | 43.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 315 | S | 23.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 60.5 | 175.2 | 154.6 | -141.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 316 | T | 27.3 | Very low | 27 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | 38.8 | 104.2 | 162.8 | 51.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 317 | S | 26.5 | Very low | 27.1 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | 86.8 | 120.3 | 61.5 | 70.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 318 | D | 27.5 | Very low | 27.1 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 67.3 | 141.4 | 161.6 | -65.7 | -36.3 | 0 | 0 | 0 | 118.5 | ||||
| 319 | S | 29.8 | Very low | 27 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | -157.6 | 171.9 | 2.7 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 320 | N | 28.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 71.3 | 120.6 | 165.6 | -62.4 | -73.8 | 0 | 0 | 0 | 119 | ||||
| 321 | I | 29 | Very low | 27.9 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | -165 | 165.9 | 98.2 | 43.9 | 168.9 | 0 | 0 | 0 | 111.4 | |||||
| 322 | N | 26.6 | Very low | 27.9 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -97.7 | 149.9 | 180 | -94.2 | -65.4 | 0 | 0 | 0 | 113.2 | ||||
| 323 | K | 30 | Very low | 28 | Very low | 170 Ų | 170 | 139 Ų | 139 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | 68.9 | 151.9 | 175 | -53.5 | 170.3 | -179.8 | 171.9 | 0 | 114.1 | ||||
| 324 | Y | 29.3 | Very low | 28 | Very low | 207 Ų | 207 | 135.7 Ų | 135.7 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | cis | -120.4 | 168.7 | 7.7 | -71.2 | -105 | 0 | 0 | 0 | 109.5 | ||||
| 325 | S | 27.1 | Very low | 28.3 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | -170.3 | 118.2 | 59.1 | 167.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 326 | T | 27.3 | Very low | 28.4 | Very low | 97 Ų | 97 | 142 Ų | 142 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | 60.1 | 105.4 | 94.1 | 38 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 327 | I | 29.7 | Very low | 28.2 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | 68.6 | 118.6 | 126.6 | -60.8 | 166 | 0 | 0 | 0 | 119.5 | |||||
| 328 | N | 26.4 | Very low | 28.1 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | -157.6 | 169.8 | 114.5 | -118.6 | -42 | 0 | 0 | 0 | 114.8 | |||||
| 329 | K | 25.1 | Very low | 27.9 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -104.8 | 150.5 | -168.1 | -67.9 | 178.4 | 178.3 | 176.7 | 0 | 115.1 | ||||
| 330 | I | 36.8 | Very low | 27.6 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -4.7 | 128.1 | 146.8 | -48.1 | 166.6 | 0 | 0 | 0 | 115.9 | ||||
| 331 | P | 31.2 | Very low | 27.4 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -109.3 | 140 | 111.9 | -12.5 | 30.3 | 0 | 0 | 0 | 111.7 | |||||
| 332 | L | 27.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | 79.9 | 114.5 | 52.4 | -125.6 | 168.7 | 0 | 0 | 0 | 113.1 | |||||
| 333 | I | 28.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -85.9 | 133.3 | 178.4 | -64.8 | 169.9 | 0 | 0 | 0 | 109.5 | ||||
| 334 | A | 26.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 135.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 335 | L | 30.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -86.8 | 141.1 | 173.3 | -68.7 | 166.5 | 0 | 0 | 0 | 109.8 | ||||
| 336 | N | 24.3 | Very low | 27.2 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -161.4 | 163.8 | 147.6 | -102 | -32.6 | 0 | 0 | 0 | 111 | ||||
| 337 | F | 23.7 | Very low | 27.1 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -111.4 | 167.8 | -162 | -90.9 | -99.3 | 0 | 0 | 0 | 114.4 | ||||
| 338 | T | 24.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 135.6 | 147.2 | 35.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 339 | E | 21.8 | Very low | 28.4 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | 64.2 | 142.5 | 152.8 | -63.4 | 173.4 | 116.2 | 0 | 0 | 119.1 | ||||
| 340 | G | 24.4 | Very low | 28.5 | Very low | 61 Ų | 61 | 137.8 Ų | 137.8 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | cis | -174.5 | 159.1 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 341 | T | 23.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 19.3 | 145 | 133.3 | 52.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 342 | D | 29.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | cis | -173 | 168.3 | 2.4 | -122.8 | -45.7 | 0 | 0 | 0 | 110.4 | ||||
| 343 | K | 27.9 | Very low | 28.1 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 161.2 | 116.6 | 130.8 | -87 | 151.4 | -167.7 | 161.8 | 0 | 116.9 | ||||
| 344 | K | 29.9 | Very low | 27.9 | Very low | 204 Ų | 204 | 136.7 Ų | 136.7 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 66.5 | 151.8 | 140.9 | -67.1 | -170.5 | 172.2 | -173.9 | 0 | 118.9 | ||||
| 345 | A | 24.4 | Very low | 27.8 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -152.1 | 165.5 | 16.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 346 | H | 26.6 | Very low | 27.5 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 99.4 | 150.3 | -75.1 | -66.9 | 0 | 0 | 0 | 124.1 | ||||
| 347 | S | 24.1 | Very low | 27.5 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | 45.7 | 152.1 | 114.5 | 60.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 348 | P | 38.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | cis | -127.1 | -150.3 | 16.5 | 49.8 | -33.2 | 0 | 0 | 0 | 113.4 | ||||
| 349 | P | 45.8 | Very low | 28 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -115.9 | -157.7 | -136.2 | 25.5 | 3.8 | 0 | 0 | 0 | 113.1 | ||||
| 350 | T | 26.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | cis | -156.9 | 168.2 | 25.5 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 351 | S | 30.8 | Very low | 28.4 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | 24.1 | 143.7 | 143.7 | 66.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 352 | E | 30.3 | Very low | 28.6 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | cis | -156.3 | -155 | 5.2 | -133.2 | -175 | 153.7 | 0 | 0 | 114.8 | ||||
| 353 | K | 26.5 | Very low | 28.8 | Very low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -107.5 | 146 | -161.6 | -72.8 | 177.7 | 176.7 | 171.7 | 0 | 116.9 | ||||
| 354 | A | 24.2 | Very low | 29 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | 76 | 116.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 355 | I | 25.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | 67.8 | 114.8 | 130.5 | -52.3 | 165.3 | 0 | 0 | 0 | 120.1 | ||||
| 356 | I | 24.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | -167.1 | 163.3 | 121.1 | -98.6 | 165 | 0 | 0 | 0 | 109.5 | |||||
| 357 | A | 22.6 | Very low | 29.8 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | -90.7 | -172.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 358 | P | 31 | Very low | 30.4 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | cis | -144.9 | 149 | 7.4 | 41.3 | -20.2 | 0 | 0 | 0 | 120.4 | ||||
| 359 | K | 29.2 | Very low | 30.2 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | 18.5 | 95.2 | 129.1 | -167.5 | -176.9 | -174.7 | 177.4 | 0 | 120.5 | |||||
| 360 | V | 26.5 | Very low | 29.6 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -144.9 | 106.8 | 148.3 | -177.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 361 | K | 28.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 74% | 0.735 | 67% | 0.665 | S | S | * | * | 74 | 102.7 | 58 | -162.7 | 172.6 | -178.5 | -179.5 | 0 | 115 | |||||
| 362 | D | 28.5 | Very low | 30.3 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | trans | 51.9 | 112.2 | 154.2 | -49.2 | -19.6 | 0 | 0 | 0 | 121.1 | ||||
| 363 | R | 33.5 | Very low | 30.6 | Very low | 215 Ų | 215 | 123.6 Ų | 123.6 | 81% | 0.811 | 65% | 0.645 | S | S | * | * | 163.4 | 78 | 121.1 | -90.6 | 172.5 | 151 | 177.3 | -5.8 | 115.9 | R155 | R155-R363 PolarHBondContact NH1-O 2.88Š| |||
| 364 | T | 32.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | trans | -157.8 | -4.5 | 161.1 | 10.7 | 0 | 0 | 0 | 0 | 118 | N366 V367 | T364-N366 PolarHBondContact O-N 2.82Å; T364-V367 PolarHBondContact O-N 3.18Å | ||
| 365 | H | 32.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 17.6 | -160.7 | -137.6 | -64.3 | 0 | 0 | 0 | 117.8 | ||
| 366 | N | 32.2 | Very low | 32.1 | Very low | 25 Ų | 25 | 117.2 Ų | 117.2 | 13% | 0.134 | 62% | 0.619 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -127.5 | -4.1 | -163.7 | -51 | -36.1 | 0 | 0 | 0 | 113.2 | F156 T364 | F156-N366 HydrophobicContact CB-CB 3.57Å; F156-N366 VanDerWaalsContact CB-ND2 3.32Å; F156-N366 WeakPolarHBondContact CB-ND2 3.36Å; F156-N366 WeakPolarHBondContact CB-OD1 3.49Å; F156-N366 HydrophobicContact CD2-CB 3.83Å; F156-N366 HydrophobicContact CG-CB 3.97Å; F156-N366 PolarHBondContact O-ND2 2.81Å; T364-N366 PolarHBondContact O-N 2.82Å |
| 367 | V | 33.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 112.7 Ų | 112.7 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | -41.9 | 177 | -178.3 | 0 | 0 | 0 | 0 | 110 | T364 E369 K370 V371 | T364-V367 PolarHBondContact O-N 3.18Å; V367-E369 PolarHBondContact O-N 2.9Å; V367-K370 PolarHBondContact O-N 2.95Å; V367-V371 HydrophobicContact CG1-CG2 4.43Å; V367-V371 WeakPolarHBondContact O-CG2 3.34Å; V367-V371 PolarHBondContact O-N 2.9Å; V367-V371 VanDerWaalsContact O-N 3.1Å |
| 368 | T | 35.1 | Very low | 33.6 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.2 | -47.3 | 177.1 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | K370 V371 T372 | T368-K370 VanDerWaalsContact C-N 3.3Å; T368-K370 PolarHBondContact O-N 3.29Å; T368-V371 PolarHBondContact O-N 3.17Å; T368-V371 VanDerWaalsContact O-N 3.09Å; T368-T372 PolarHBondContact O-N 2.96Å; T368-T372 PolarHBondContact O-OG1 2.78Å |
| 369 | E | 35.5 | Very low | 33.9 | Very low | 80 Ų | 80 | 109.7 Ų | 109.7 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.7 | -37.2 | -177.3 | -159.3 | 168.9 | -136.9 | 0 | 0 | 112.5 | R157 V367 T372 Q373 | R157-E369 IonicContact NH1-OE1 2.7Å; R157-E369 PolarHBondContact NH1-OE1 2.8Å; R157-E369 IonicContact NH1-OE2 3.86Å; R157-E369 PolarHBondContact NH1-OE2 2.85Å; V367-E369 PolarHBondContact O-N 2.9Å; E369-T372 WeakPolarHBondContact CA-OG1 3.4Å; E369-T372 PolarHBondContact O-OG1 2.97Å; E369-Q373 PolarHBondContact O-N 2.76Å |
| 370 | K | 33.6 | Very low | 34.3 | Very low | 134 Ų | 134 | 106.8 Ų | 106.8 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.1 | -36.2 | 174.2 | -79.3 | -163.9 | 169.6 | -168.3 | 0 | 113.5 | V367 T368 Q373 V374 | V367-K370 PolarHBondContact O-N 2.95Å; T368-K370 VanDerWaalsContact C-N 3.3Å; T368-K370 PolarHBondContact O-N 3.29Å; K370-Q373 PolarHBondContact O-N 2.95Å; K370-V374 PolarHBondContact O-N 2.91Å |
| 371 | V | 36 | Very low | 35.1 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -39.7 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | V367 T368 Q373 V374 L375 | V367-V371 HydrophobicContact CG1-CG2 4.43Å; V367-V371 WeakPolarHBondContact O-CG2 3.34Å; V367-V371 PolarHBondContact O-N 2.9Å; V367-V371 VanDerWaalsContact O-N 3.1Å; T368-V371 PolarHBondContact O-N 3.17Å; T368-V371 VanDerWaalsContact O-N 3.09Å; V371-Q373 VanDerWaalsContact C-N 3.34Å; V371-Q373 PolarHBondContact O-N 3.03Å; V371-V374 PolarHBondContact O-N 3.1Å; V371-V374 VanDerWaalsContact O-N 3.14Å; V371-L375 HydrophobicContact CG1-CD1 3.78Å; V371-L375 HydrophobicContact CG1-CG 4.37Å; V371-L375 WeakPolarHBondContact O-CG 3.23Å; V371-L375 PolarHBondContact O-N 3.13Å |
| 372 | T | 35.2 | Very low | 35.6 | Very low | 83 Ų | 83 | 95.6 Ų | 95.6 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -32.9 | 173.8 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | T368 E369 V374 L375 S376 | T368-T372 PolarHBondContact O-N 2.96Å; T368-T372 PolarHBondContact O-OG1 2.78Å; E369-T372 WeakPolarHBondContact CA-OG1 3.4Å; E369-T372 PolarHBondContact O-OG1 2.97Å; T372-V374 VanDerWaalsContact C-N 3.28Å; T372-V374 PolarHBondContact O-N 2.91Å; T372-L375 PolarHBondContact O-N 2.95Å; T372-S376 VanDerWaalsContact O-CB 3.26Å; T372-S376 WeakPolarHBondContact O-CB 3.37Å; T372-S376 PolarHBondContact O-N 2.7Å |
| 373 | Q | 36.8 | Very low | 36.2 | Very low | 141 Ų | 141 | 93.2 Ų | 93.2 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -25.3 | 172.3 | -84.7 | -170.1 | -31.4 | 0 | 0 | 113.6 | E369 K370 V371 | E369-Q373 PolarHBondContact O-N 2.76Å; K370-Q373 PolarHBondContact O-N 2.95Å; V371-Q373 VanDerWaalsContact C-N 3.34Å; V371-Q373 PolarHBondContact O-N 3.03Å |
| 374 | V | 36.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 85.6 Ų | 85.6 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -81.3 | -41.5 | 173.1 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | K370 V371 T372 | K370-V374 PolarHBondContact O-N 2.91Å; V371-V374 PolarHBondContact O-N 3.1Å; V371-V374 VanDerWaalsContact O-N 3.14Å; T372-V374 VanDerWaalsContact C-N 3.28Å; T372-V374 PolarHBondContact O-N 2.91Å |
| 375 | L | 38.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 86.3 Ų | 86.3 | 64% | 0.644 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.7 | -22.5 | -179.1 | -66.6 | 171.3 | 0 | 0 | 0 | 114.2 | V371 T372 L377 | V371-L375 HydrophobicContact CG1-CD1 3.78Å; V371-L375 HydrophobicContact CG1-CG 4.37Å; V371-L375 WeakPolarHBondContact O-CG 3.23Å; V371-L375 PolarHBondContact O-N 3.13Å; T372-L375 PolarHBondContact O-N 2.95Å; L375-L377 PolarHBondContact O-N 2.86Å |
| 376 | S | 33.6 | Very low | 37 | Very low | 69 Ų | 69 | 87 Ų | 87 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0.7 | 177.8 | -164.8 | 0 | 0 | 0 | 0 | 114.1 | T372 G378 A379 | T372-S376 VanDerWaalsContact O-CB 3.26Å; T372-S376 WeakPolarHBondContact O-CB 3.37Å; T372-S376 PolarHBondContact O-N 2.7Å; S376-G378 PolarHBondContact O-N 3.44Å; S376-A379 PolarHBondContact O-N 3.09Å |
| 377 | L | 41.6 | Very low | 37.3 | Very low | 72 Ų | 72 | 93.5 Ų | 93.5 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -17.5 | -175.4 | -121 | 70.9 | 0 | 0 | 0 | 114.3 | L375 A379 V381 | L375-L377 PolarHBondContact O-N 2.86Å; L377-A379 VanDerWaalsContact C-N 3.3Å; L377-A379 PolarHBondContact O-N 3.31Å; L377-V381 HydrophobicContact CD2-CG2 4.45Å; L377-V381 HydrophobicContact CG-CG2 3.94Å; L377-V381 WeakPolarHBondContact O-CB 3.47Å; L377-V381 WeakPolarHBondContact O-CG2 3.13Å; L377-V381 PolarHBondContact O-N 3.12Å |
| 378 | G | 36 | Very low | 37.5 | Very low | 60 Ų | 60 | 94.5 Ų | 94.5 | 62% | 0.619 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.8 | -23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S376 L382 | S376-G378 PolarHBondContact O-N 3.44Å; G378-L382 WeakPolarHBondContact O-CD1 3.23Å |
| 379 | A | 38.3 | Very low | 37.7 | Very low | 74 Ų | 74 | 93.2 Ų | 93.2 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -95.6 | -40.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | S376 L377 V381 | S376-A379 PolarHBondContact O-N 3.09Å; L377-A379 VanDerWaalsContact C-N 3.3Å; L377-A379 PolarHBondContact O-N 3.31Å; A379-V381 VanDerWaalsContact C-N 3.3Å; A379-V381 PolarHBondContact O-N 2.96Å |
| 380 | D | 37.8 | Very low | 38.6 | Very low | 143 Ų | 143 | 93.6 Ų | 93.6 | 77% | 0.765 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -84 | 1.3 | -176.4 | -71.8 | -30 | 0 | 0 | 0 | 114 | ||
| 381 | V | 42.4 | Very low | 39.5 | Very low | 32 Ų | 32 | 94 Ų | 94 | 19% | 0.194 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 32.4 | -179.9 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | F8 I12 K15 L377 A379 | F8-V381 HydrophobicContact CE2-CG1 4.32Å; F8-V381 WeakPolarHBondContact CE2-O 3.43Å; F8-V381 WeakPolarHBondContact CZ-O 3.46Å; I12-V381 HydrophobicContact CG1-CG1 4.47Å; K15-V381 VanDerWaalsContact NZ-CG2 3.35Å; L377-V381 HydrophobicContact CD2-CG2 4.45Å; L377-V381 HydrophobicContact CG-CG2 3.94Å; L377-V381 WeakPolarHBondContact O-CB 3.47Å; L377-V381 WeakPolarHBondContact O-CG2 3.13Å; L377-V381 PolarHBondContact O-N 3.12Å; A379-V381 VanDerWaalsContact C-N 3.3Å; A379-V381 PolarHBondContact O-N 2.96Å |
| 382 | L | 38.4 | Very low | 40.8 | Very low | 37 Ų | 37 | 94 Ų | 94 | 19% | 0.194 | 52% | 0.519 | C | S | . | . | trans | -132.1 | 92.9 | 176.6 | -65.3 | 172.8 | 0 | 0 | 0 | 112.6 | F8 V109 K110 G378 E384 | F8-L382 HydrophobicContact CZ-CD2 4.23Å; V109-L382 HydrophobicContact CG1-CD2 4.05Å; K110-L382 WeakPolarHBondContact O-CD1 3.41Å; K110-L382 WeakPolarHBondContact O-CD2 3.39Å; G378-L382 WeakPolarHBondContact O-CD1 3.23Å; L382-E384 PolarHBondContact O-N 3.4Å | ||
| 383 | P | 41 | Very low | 42.2 | Very low | 76 Ų | 76 | 92.8 Ų | 92.8 | 49% | 0.494 | 51% | 0.509 | S | S | . | . | trans | -72.8 | 108.1 | 164.4 | -13 | 30.1 | 0 | 0 | 0 | 110.4 | F8 L11 Y385 | F8-P383 VanDerWaalsContact CD2-CD 3.43Å; F8-P383 HydrophobicContact CD2-CG 3.89Å; F8-P383 HydrophobicContact CE2-CG 4.36Å; L11-P383 HydrophobicContact CD1-CG 4.34Å; P383-Y385 PolarHBondContact O-N 2.92Å | ||
| 384 | E | 42.2 | Very low | 43.8 | Very low | 56 Ų | 56 | 95 Ų | 95 | 26% | 0.262 | 52% | 0.517 | S | S | . | . | trans | -27 | 118.8 | 168.9 | -168.6 | 164.3 | -123.9 | 0 | 0 | 114.1 | L382 K386 Q388 R391 | L382-E384 PolarHBondContact O-N 3.4Å; E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 3Å; E384-Q388 PolarHBondContact OE2-NE2 3.49Å; E384-Q388 PolarHBondContact OE2-OE1 2.95Å; E384-R391 IonicContact OE1-CZ 2.75Å; E384-R391 IonicContact OE1-NE 3.61Å; E384-R391 IonicContact OE1-NH2 3.75Å; E384-R391 PolarHBondContact OE1-NH2 3.36Å; E384-R391 IonicContact OE2-CZ 3.21Å; E384-R391 IonicContact OE2-NE 3.13Å; E384-R391 PolarHBondContact OE2-NE 3.04Å; E384-R391 IonicContact OE2-NH2 3.64Å; E384-R391 PolarHBondContact OE2-NH2 3.19Å | ||
| 385 | Y | 41.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 98.7 Ų | 98.7 | 44% | 0.443 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -79.1 | 71.3 | -169.4 | -169.6 | -102.4 | 0 | 0 | 0 | 113.2 | P4 Q5 P383 | P4-Y385 HydrophobicContact CB-CD2 4.29Å; P4-Y385 HydrophobicContact CB-CE2 3.63Å; Q5-Y385 HydrophobicContact CG-CE2 3.74Å; Q5-Y385 WeakPolarHBondContact CG-OH 3.48Å; Q5-Y385 PolarHBondContact NE2-OH 3.35Å; P383-Y385 PolarHBondContact O-N 2.92Å |
| 386 | K | 32.5 | Very low | 48.2 | Very low | 164 Ų | 164 | 93.6 Ų | 93.6 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -156.5 | 162.4 | 169.2 | -102.8 | 137.3 | -173.7 | 168.8 | 0 | 111.2 | E384 Q388 | E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 3Å; K386-Q388 HydrophobicContact CB-CG 4.48Å; K386-Q388 PolarHBondContact O-N 3.22Å |
| 387 | L | 37.9 | Very low | 50.9 | Low | 161 Ų | 161 | 92.3 Ų | 92.3 | 84% | 0.843 | 49% | 0.486 | S | S | * | . | trans | -74.3 | 52 | 168.4 | -86.9 | 157.8 | 0 | 0 | 0 | 111.5 | ||||
| 388 | Q | 36.1 | Very low | 53.1 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 140 | 166.4 | -83.9 | 159.4 | -99.2 | 0 | 0 | 109.2 | E384 K386 | E384-Q388 PolarHBondContact OE2-NE2 3.49Å; E384-Q388 PolarHBondContact OE2-OE1 2.95Å; K386-Q388 HydrophobicContact CB-CG 4.48Å; K386-Q388 PolarHBondContact O-N 3.22Å |
| 389 | A | 41.3 | Very low | 55.6 | Low | 59 Ų | 59 | 89.1 Ų | 89.1 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 138.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | R391 | A389-R391 PolarHBondContact O-N 2.84Å; A389-R391 VanDerWaalsContact O-N 3.16Å |
| 390 | P | 53.1 | Low | 57.8 | Low | 88 Ų | 88 | 92 Ų | 92 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -52.9 | 121.5 | -164.8 | 19.5 | -33.4 | 0 | 0 | 0 | 111.3 | I392 | P390-I392 WeakPolarHBondContact O-CG1 3.15Å; P390-I392 PolarHBondContact O-N 3.1Å |
| 391 | R | 53 | Low | 60.3 | Low | 141 Ų | 141 | 86.7 Ų | 86.7 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | trans | -35.1 | 102.1 | -169 | -84 | 179.9 | 167.3 | 169.8 | -9.6 | 111.3 | E112 E384 A389 | E112-R391 IonicContact OE1-CZ 2.66Å; E112-R391 IonicContact OE1-NH1 2.68Å; E112-R391 IonicContact OE1-NH2 2.62Å; E112-R391 PolarHBondContact OE1-NH2 3.22Å; E384-R391 IonicContact OE1-CZ 2.75Å; E384-R391 IonicContact OE1-NE 3.61Å; E384-R391 IonicContact OE1-NH2 3.75Å; E384-R391 PolarHBondContact OE1-NH2 3.36Å; E384-R391 IonicContact OE2-CZ 3.21Å; E384-R391 IonicContact OE2-NE 3.13Å; E384-R391 PolarHBondContact OE2-NE 3.04Å; E384-R391 IonicContact OE2-NH2 3.64Å; E384-R391 PolarHBondContact OE2-NH2 3.19Å; A389-R391 PolarHBondContact O-N 2.84Å; A389-R391 VanDerWaalsContact O-N 3.16Å | ||
| 392 | I | 63.6 | Low | 62.5 | Low | 76 Ų | 76 | 90.1 Ų | 90.1 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 121.2 | -169 | -58.9 | 178.3 | 0 | 0 | 0 | 109.3 | P390 K394 T396 L398 | P390-I392 WeakPolarHBondContact O-CG1 3.15Å; P390-I392 PolarHBondContact O-N 3.1Å; I392-K394 PolarHBondContact O-N 2.89Å; I392-T396 WeakPolarHBondContact CG2-OG1 3.35Å; I392-L398 HydrophobicContact CD1-CD1 3.74Å; I392-L398 HydrophobicContact CD1-CD2 3.9Å; I392-L398 HydrophobicContact CG1-CD1 4.26Å |
| 393 | D | 63.8 | Low | 65 | Low | 59 Ų | 59 | 93.7 Ų | 93.7 | 32% | 0.316 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 131.3 | 174.6 | -87.6 | -38.7 | 0 | 0 | 0 | 110.4 | F395 T396 H481 P482 | D393-F395 PolarHBondContact O-N 3.09Å; D393-T396 HydrophobicContact CB-CG2 3.99Å; D393-T396 PolarHBondContact O-N 3.07Å; D393-T396 PolarHBondContact O-OG1 3.35Å; D393-H481 IonicContact OD2-CE1 2.69Å; D393-H481 IonicContact OD2-CG 3.45Å; D393-H481 IonicContact OD2-ND1 3.24Å; D393-H481 PolarHBondContact OD2-ND1 3.15Å; D393-P482 WeakPolarHBondContact OD2-CD 3.42Å |
| 394 | K | 69.8 | Low | 67.4 | Low | 188 Ų | 188 | 90.8 Ų | 90.8 | 82% | 0.817 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.3 | -176.4 | -67.8 | 177.6 | -177.9 | 173 | 0 | 110.3 | I392 | I392-K394 PolarHBondContact O-N 2.89Š|
| 395 | F | 80.3 | Confident | 69.6 | Low | 181 Ų | 181 | 89.9 Ų | 89.9 | 79% | 0.794 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 49 | -169.9 | -48.3 | -85.3 | 0 | 0 | 0 | 114.6 | D393 R468 | D393-F395 PolarHBondContact O-N 3.09Å; F395-R468 WeakPolarHBondContact O-CD 3.12Å; F395-R468 PolarHBondContact O-NH1 3.07Å |
| 396 | T | 87.4 | Confident | 72 | Confident | 17 Ų | 17 | 89.5 Ų | 89.5 | 10% | 0.104 | 45% | 0.452 | C | S | . | . | trans | -124 | 153.5 | 161.5 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | I392 D393 R468 | I392-T396 WeakPolarHBondContact CG2-OG1 3.35Å; D393-T396 HydrophobicContact CB-CG2 3.99Å; D393-T396 PolarHBondContact O-N 3.07Å; D393-T396 PolarHBondContact O-OG1 3.35Å; T396-R468 CarbonylContact C-O 3.59Å; T396-R468 VanDerWaalsContact CA-O 3.31Å; T396-R468 WeakPolarHBondContact CA-O 3.37Å; T396-R468 WeakPolarHBondContact CB-O 3.42Å | ||
| 397 | I | 89.9 | Confident | 74.8 | Confident | 41 Ų | 41 | 83 Ų | 83 | 21% | 0.21 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 129 | -169.7 | -62.1 | 170.4 | 0 | 0 | 0 | 109.2 | F403 K404 I465 R468 T469 T470 | I397-F403 HydrophobicContact CD1-CE1 4.4Å; I397-K404 HydrophobicContact CG2-CB 4.13Å; I397-I465 HydrophobicContact CD1-CG2 4.2Å; I397-R468 PolarHBondContact N-O 3.4Å; I397-T469 HydrophobicContact CB-CG2 4.01Å; I397-T469 HydrophobicContact CG2-CG2 4.08Å; I397-T469 CarbonylContact O-C 3.57Å; I397-T469 VanDerWaalsContact O-CA 3.23Å; I397-T469 WeakPolarHBondContact O-CA 3.5Å; I397-T470 PolarHBondContact O-N 3.49Å |
| 398 | L | 88.5 | Confident | 77.3 | Confident | 30 Ų | 30 | 75.6 Ų | 75.6 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | trans | -70.8 | 133.7 | 175 | -93.2 | 36.6 | 0 | 0 | 0 | 111.4 | I392 Y400 S401 T470 | I392-L398 HydrophobicContact CD1-CD1 3.74Å; I392-L398 HydrophobicContact CD1-CD2 3.9Å; I392-L398 HydrophobicContact CG1-CD1 4.26Å; L398-Y400 HydrophobicContact CB-CD1 4.49Å; L398-Y400 HydrophobicContact CB-CD2 4.46Å; L398-Y400 HydrophobicContact CB-CE1 4.4Å; L398-Y400 HydrophobicContact CB-CE2 4.36Å; L398-Y400 HydrophobicContact CD2-CE1 4.21Å; L398-Y400 HydrophobicContact CD2-CE2 3.69Å; L398-Y400 VanDerWaalsContact CD2-CZ 3.5Å; L398-Y400 WeakPolarHBondContact CD2-OH 3.44Å; L398-Y400 HydrophobicContact CG-CE1 3.98Å; L398-Y400 HydrophobicContact CG-CE2 4.2Å; L398-Y400 PolarHBondContact O-N 3.24Å; L398-S401 WeakPolarHBondContact O-CB 3.31Å; L398-S401 PolarHBondContact O-N 3.45Å; L398-T470 HydrophobicContact CD1-CG2 3.96Å | ||
| 399 | H | 87.7 | Confident | 79.8 | Confident | 35 Ų | 35 | 77 Ų | 77 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.5 | 176.3 | 58.2 | -91.2 | 0 | 0 | 0 | 114.4 | T470 V472 R540 | H399-T470 WeakPolarHBondContact CB-O 3.42Å; H399-T470 PolarHBondContact N-OG1 2.72Å; H399-T470 PolarHBondContact ND1-O 2.73Å; H399-T470 PolarHBondContact ND1-OG1 2.96Å; H399-V472 VanDerWaalsContact CE1-CG2 3.44Å; H399-V472 WeakPolarHBondContact CE1-CG2 3.12Å; H399-V472 WeakPolarHBondContact NE2-CG2 3.34Å; H399-R540 PolarHBondContact O-NH1 2.85Å; H399-R540 PolarHBondContact O-NH2 2.87Å |
| 400 | Y | 86.1 | Confident | 82.2 | Confident | 135 Ų | 135 | 77.6 Ų | 77.6 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.7 | 172.2 | 62 | -103.7 | 0 | 0 | 0 | 113.4 | L398 | L398-Y400 HydrophobicContact CB-CD1 4.49Å; L398-Y400 HydrophobicContact CB-CD2 4.46Å; L398-Y400 HydrophobicContact CB-CE1 4.4Å; L398-Y400 HydrophobicContact CB-CE2 4.36Å; L398-Y400 HydrophobicContact CD2-CE1 4.21Å; L398-Y400 HydrophobicContact CD2-CE2 3.69Å; L398-Y400 VanDerWaalsContact CD2-CZ 3.5Å; L398-Y400 WeakPolarHBondContact CD2-OH 3.44Å; L398-Y400 HydrophobicContact CG-CE1 3.98Å; L398-Y400 HydrophobicContact CG-CE2 4.2Å; L398-Y400 PolarHBondContact O-N 3.24Å |
| 401 | S | 89.1 | Confident | 84.1 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | trans | -62.2 | 137.2 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L398 F403 K404 A405 | L398-S401 WeakPolarHBondContact O-CB 3.31Å; L398-S401 PolarHBondContact O-N 3.45Å; S401-F403 PolarHBondContact O-N 2.8Å; S401-F403 PolarHBondContact OG-N 3.3Å; S401-K404 WeakPolarHBondContact O-CA 3.18Å; S401-K404 WeakPolarHBondContact O-CB 3.33Å; S401-K404 PolarHBondContact O-N 3.5Å; S401-A405 PolarHBondContact O-N 2.87Å | ||
| 402 | P | 88.9 | Confident | 85.8 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.3 | -31 | 176.5 | 24 | -34 | 0 | 0 | 0 | 112.3 | A405 V406 | P402-A405 PolarHBondContact O-N 3.18Å; P402-V406 WeakPolarHBondContact O-CG2 3.39Å; P402-V406 PolarHBondContact O-N 2.86Å |
| 403 | F | 91.4 | Very high | 87.1 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 171.1 | 171.8 | -100.1 | 0 | 0 | 0 | 111.7 | I397 S401 V406 W407 | I397-F403 HydrophobicContact CD1-CE1 4.4Å; S401-F403 PolarHBondContact O-N 2.8Å; S401-F403 PolarHBondContact OG-N 3.3Å; F403-V406 PolarHBondContact O-N 3.03Å; F403-W407 HydrophobicContact CZ-CE3 4.29Å; F403-W407 VanDerWaalsContact O-CB 3.32Å; F403-W407 WeakPolarHBondContact O-CB 3.38Å; F403-W407 PolarHBondContact O-N 3.45Å |
| 404 | K | 90.1 | Very high | 88.4 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 178.8 | -176.8 | 56.3 | 169.2 | 70 | 0 | 111.6 | I397 S401 W407 D408 I465 T469 | I397-K404 HydrophobicContact CG2-CB 4.13Å; S401-K404 WeakPolarHBondContact O-CA 3.18Å; S401-K404 WeakPolarHBondContact O-CB 3.33Å; S401-K404 PolarHBondContact O-N 3.5Å; K404-W407 PolarHBondContact O-N 3.49Å; K404-D408 IonicContact NZ-OD1 2.74Å; K404-D408 PolarHBondContact NZ-OD1 2.91Å; K404-D408 IonicContact NZ-OD2 2.71Å; K404-D408 PolarHBondContact NZ-OD2 3.01Å; K404-D408 WeakPolarHBondContact O-CB 3.44Å; K404-D408 VanDerWaalsContact O-CG 3.22Å; K404-D408 PolarHBondContact O-N 2.89Å; K404-I465 HydrophobicContact CD-CG2 4.33Å; K404-T469 HydrophobicContact CD-CG2 3.84Å; K404-T469 HydrophobicContact CG-CG2 4.43Å |
| 405 | A | 89.1 | Confident | 89.5 | Confident | 38 Ų | 38 | 59 Ų | 59 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S401 P402 W407 D408 W409 | S401-A405 PolarHBondContact O-N 2.87Å; P402-A405 PolarHBondContact O-N 3.18Å; A405-W407 VanDerWaalsContact C-N 3.32Å; A405-W407 PolarHBondContact O-N 2.85Å; A405-D408 PolarHBondContact O-N 3.21Å; A405-W409 PolarHBondContact O-N 2.93Å; A405-W409 VanDerWaalsContact O-N 3.12Å |
| 406 | V | 91.6 | Very high | 90 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | P402 F403 W409 L410 | P402-V406 WeakPolarHBondContact O-CG2 3.39Å; P402-V406 PolarHBondContact O-N 2.86Å; F403-V406 PolarHBondContact O-N 3.03Å; V406-W409 PolarHBondContact O-N 3.38Å; V406-L410 PolarHBondContact O-N 3.41Å |
| 407 | W | 92.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 174 | -173.1 | -90.9 | 0 | 0 | 0 | 112.3 | F403 K404 A405 W409 L410 I411 M458 I461 D462 I465 | F403-W407 HydrophobicContact CZ-CE3 4.29Å; F403-W407 VanDerWaalsContact O-CB 3.32Å; F403-W407 WeakPolarHBondContact O-CB 3.38Å; F403-W407 PolarHBondContact O-N 3.45Å; K404-W407 PolarHBondContact O-N 3.49Å; A405-W407 VanDerWaalsContact C-N 3.32Å; A405-W407 PolarHBondContact O-N 2.85Å; W407-W409 PolarHBondContact O-N 3.5Å; W407-L410 HydrophobicContact CE3-CD2 4.3Å; W407-L410 HydrophobicContact CZ3-CD2 4.3Å; W407-L410 PolarHBondContact O-N 3.43Å; W407-I411 HydrophobicContact CZ2-CD1 4.19Å; W407-I411 WeakPolarHBondContact O-CG1 3.39Å; W407-I411 PolarHBondContact O-N 2.94Å; W407-M458 HydrophobicContact CH2-CE 3.39Å; W407-M458 HydrophobicContact CH2-SD 4.08Å; W407-M458 HydrophobicContact CZ2-CE 4.13Å; W407-M458 HydrophobicContact CZ3-CE 3.78Å; W407-I461 HydrophobicContact CH2-CB 4.4Å; W407-I461 HydrophobicContact CH2-CG2 3.67Å; W407-I461 HydrophobicContact CZ2-CB 4.37Å; W407-I461 HydrophobicContact CZ2-CG2 3.81Å; W407-D462 PolarHBondContact NE1-OD1 2.86Å; W407-I465 HydrophobicContact CD2-CD1 3.83Å; W407-I465 VanDerWaalsContact CE2-CD1 3.43Å; W407-I465 HydrophobicContact CE3-CD1 4.27Å; W407-I465 HydrophobicContact CG-CD1 4.41Å; W407-I465 HydrophobicContact CH2-CD1 4.03Å; W407-I465 HydrophobicContact CZ2-CD1 3.56Å; W407-I465 HydrophobicContact CZ3-CD1 4.36Å |
| 408 | D | 89.5 | Confident | 90.3 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.7 | -76.3 | -33.6 | 0 | 0 | 0 | 112.4 | K404 A405 L412 K537 R540 Y541 | K404-D408 IonicContact NZ-OD1 2.74Å; K404-D408 PolarHBondContact NZ-OD1 2.91Å; K404-D408 IonicContact NZ-OD2 2.71Å; K404-D408 PolarHBondContact NZ-OD2 3.01Å; K404-D408 WeakPolarHBondContact O-CB 3.44Å; K404-D408 VanDerWaalsContact O-CG 3.22Å; K404-D408 PolarHBondContact O-N 2.89Å; A405-D408 PolarHBondContact O-N 3.21Å; D408-L412 WeakPolarHBondContact O-CB 3.33Å; D408-L412 PolarHBondContact O-N 2.97Å; D408-K537 HydrophobicContact CB-CD 4.46Å; D408-K537 WeakPolarHBondContact OD1-CE 3.33Å; D408-K537 IonicContact OD1-NZ 3.99Å; D408-K537 PolarHBondContact OD1-NZ 2.88Å; D408-R540 IonicContact OD2-NH1 3.42Å; D408-Y541 PolarHBondContact O-OH 3.2Å |
| 409 | W | 89.8 | Confident | 90.5 | Very high | 130 Ų | 130 | 51.4 Ų | 51.4 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 171.2 | -75.8 | 110.1 | 0 | 0 | 0 | 113 | A405 V406 W407 L412 L413 Y541 A547 | A405-W409 PolarHBondContact O-N 2.93Å; A405-W409 VanDerWaalsContact O-N 3.12Å; V406-W409 PolarHBondContact O-N 3.38Å; W407-W409 PolarHBondContact O-N 3.5Å; W409-L412 HydrophobicContact CE3-CD2 3.84Å; W409-L412 HydrophobicContact CZ3-CD2 3.74Å; W409-L412 PolarHBondContact O-N 3.47Å; W409-L413 PolarHBondContact O-N 2.93Å; W409-Y541 HydrophobicContact CH2-CD1 4.35Å; W409-Y541 HydrophobicContact CH2-CE1 4.45Å; W409-Y541 HydrophobicContact CZ2-CD1 4.34Å; W409-Y541 HydrophobicContact CZ2-CE1 4.34Å; W409-A547 HydrophobicContact CH2-CB 4.08Å |
| 410 | L | 92.1 | Very high | 90.7 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.3 | -179.1 | 61.7 | 0 | 0 | 0 | 111.3 | V406 W407 L413 L414 M458 | V406-L410 PolarHBondContact O-N 3.41Å; W407-L410 HydrophobicContact CE3-CD2 4.3Å; W407-L410 HydrophobicContact CZ3-CD2 4.3Å; W407-L410 PolarHBondContact O-N 3.43Å; L410-L413 PolarHBondContact O-N 3.38Å; L410-L414 HydrophobicContact CG-CD1 4.17Å; L410-L414 VanDerWaalsContact O-CG 3.27Å; L410-L414 WeakPolarHBondContact O-CG 3.11Å; L410-L414 PolarHBondContact O-N 3.14Å; L410-M458 HydrophobicContact CD2-CE 3.61Å; L410-M458 HydrophobicContact CG-CE 4.34Å |
| 411 | I | 91.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.5 | -66.8 | -68.5 | 0 | 0 | 0 | 111.1 | W407 L413 L414 V415 F459 D462 | W407-I411 HydrophobicContact CZ2-CD1 4.19Å; W407-I411 WeakPolarHBondContact O-CG1 3.39Å; W407-I411 PolarHBondContact O-N 2.94Å; I411-L413 PolarHBondContact O-N 3.25Å; I411-L414 HydrophobicContact CD1-CD1 4.2Å; I411-L414 PolarHBondContact O-N 2.81Å; I411-V415 HydrophobicContact CG2-CG2 4.3Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.39Å; I411-V415 PolarHBondContact O-N 2.83Å; I411-F459 HydrophobicContact CG2-CE1 4.14Å; I411-D462 HydrophobicContact CD1-CB 3.72Å; I411-D462 HydrophobicContact CG1-CB 4.35Å |
| 412 | L | 89.3 | Confident | 90.9 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.2 | 179.9 | 61.8 | 0 | 0 | 0 | 111.8 | D408 W409 L414 V415 I416 V534 Y541 | D408-L412 WeakPolarHBondContact O-CB 3.33Å; D408-L412 PolarHBondContact O-N 2.97Å; W409-L412 HydrophobicContact CE3-CD2 3.84Å; W409-L412 HydrophobicContact CZ3-CD2 3.74Å; W409-L412 PolarHBondContact O-N 3.47Å; L412-L414 PolarHBondContact O-N 2.96Å; L412-V415 PolarHBondContact O-N 3.45Å; L412-I416 HydrophobicContact CD1-CD1 4.31Å; L412-I416 HydrophobicContact CG-CD1 4.15Å; L412-I416 WeakPolarHBondContact O-CG1 3.45Å; L412-I416 PolarHBondContact O-N 3.13Å; L412-V534 HydrophobicContact CD1-CB 4.41Å; L412-V534 HydrophobicContact CD1-CG1 3.87Å; L412-V534 HydrophobicContact CD1-CG2 3.73Å; L412-Y541 HydrophobicContact CD1-CE2 4.43Å; L412-Y541 HydrophobicContact CD2-CE2 4.06Å |
| 413 | L | 90.6 | Very high | 90.9 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 60% | 0.602 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.2 | -43.5 | 175.8 | 179.9 | 63 | 0 | 0 | 0 | 112 | W409 L410 I411 V415 I416 Y417 | W409-L413 PolarHBondContact O-N 2.93Å; L410-L413 PolarHBondContact O-N 3.38Å; I411-L413 PolarHBondContact O-N 3.25Å; L413-V415 VanDerWaalsContact C-N 3.34Å; L413-V415 PolarHBondContact O-N 3.43Å; L413-I416 PolarHBondContact O-N 2.89Å; L413-Y417 PolarHBondContact O-N 3.01Å |
| 414 | L | 92 | Very high | 90.9 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -35.7 | 176.2 | -69 | 167.4 | 0 | 0 | 0 | 112.3 | L410 I411 L412 Y417 T418 V455 M458 F459 | L410-L414 HydrophobicContact CG-CD1 4.17Å; L410-L414 VanDerWaalsContact O-CG 3.27Å; L410-L414 WeakPolarHBondContact O-CG 3.11Å; L410-L414 PolarHBondContact O-N 3.14Å; I411-L414 HydrophobicContact CD1-CD1 4.2Å; I411-L414 PolarHBondContact O-N 2.81Å; L412-L414 PolarHBondContact O-N 2.96Å; L414-Y417 PolarHBondContact O-N 3Å; L414-T418 WeakPolarHBondContact O-CG2 3.44Å; L414-T418 PolarHBondContact O-N 2.93Å; L414-T418 PolarHBondContact O-OG1 2.89Å; L414-V455 HydrophobicContact CD2-CG1 4.32Å; L414-V455 HydrophobicContact CD2-CG2 3.9Å; L414-M458 HydrophobicContact CD1-CB 3.89Å; L414-M458 HydrophobicContact CD1-CE 4.17Å; L414-M458 HydrophobicContact CD1-CG 4.34Å; L414-F459 HydrophobicContact CB-CE2 4.07Å; L414-F459 HydrophobicContact CB-CZ 3.85Å |
| 415 | V | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 174.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | I411 L412 L413 Y417 T418 A419 F459 R530 L531 V534 | I411-V415 HydrophobicContact CG2-CG2 4.3Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.39Å; I411-V415 PolarHBondContact O-N 2.83Å; L412-V415 PolarHBondContact O-N 3.45Å; L413-V415 VanDerWaalsContact C-N 3.34Å; L413-V415 PolarHBondContact O-N 3.43Å; V415-Y417 VanDerWaalsContact C-N 3.33Å; V415-Y417 PolarHBondContact O-N 2.84Å; V415-T418 WeakPolarHBondContact CA-OG1 3.26Å; V415-T418 PolarHBondContact O-N 2.9Å; V415-T418 VanDerWaalsContact O-N 3.14Å; V415-T418 PolarHBondContact O-OG1 2.93Å; V415-A419 WeakPolarHBondContact O-CB 3.42Å; V415-A419 PolarHBondContact O-N 2.95Å; V415-F459 HydrophobicContact CG2-CE1 3.68Å; V415-F459 HydrophobicContact CG2-CZ 3.71Å; V415-R530 HydrophobicContact CG1-CB 4.42Å; V415-R530 HydrophobicContact CG2-CB 4.25Å; V415-L531 HydrophobicContact CG1-CD2 3.72Å; V415-L531 HydrophobicContact CG1-CG 3.95Å; V415-V534 HydrophobicContact CB-CG2 4.34Å; V415-V534 HydrophobicContact CG1-CG2 3.73Å |
| 416 | I | 90.9 | Very high | 90.4 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.205 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.5 | -66.8 | 164.1 | 0 | 0 | 0 | 110.6 | L412 L413 T418 A419 I420 | L412-I416 HydrophobicContact CD1-CD1 4.31Å; L412-I416 HydrophobicContact CG-CD1 4.15Å; L412-I416 WeakPolarHBondContact O-CG1 3.45Å; L412-I416 PolarHBondContact O-N 3.13Å; L413-I416 PolarHBondContact O-N 2.89Å; I416-T418 PolarHBondContact O-N 3.24Å; I416-A419 PolarHBondContact O-N 3.03Å; I416-I420 HydrophobicContact CG2-CD1 4.05Å; I416-I420 WeakPolarHBondContact O-CG1 3.39Å; I416-I420 PolarHBondContact O-N 3.36Å |
| 417 | Y | 92.7 | Very high | 90.1 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 26% | 0.263 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.6 | -50.1 | 172.4 | 170.3 | -88.9 | 0 | 0 | 0 | 111.8 | L413 L414 V415 A419 I420 L421 V451 D452 V455 | L413-Y417 PolarHBondContact O-N 3.01Å; L414-Y417 PolarHBondContact O-N 3Å; V415-Y417 VanDerWaalsContact C-N 3.33Å; V415-Y417 PolarHBondContact O-N 2.84Å; Y417-A419 VanDerWaalsContact C-N 3.3Å; Y417-A419 PolarHBondContact O-N 3.09Å; Y417-I420 PolarHBondContact O-N 3.44Å; Y417-L421 HydrophobicContact CE1-CD2 4Å; Y417-L421 HydrophobicContact CE2-CD2 4.06Å; Y417-L421 VanDerWaalsContact CZ-CD2 3.46Å; Y417-L421 PolarHBondContact O-N 2.98Å; Y417-L421 WeakPolarHBondContact OH-CD2 3.43Å; Y417-V451 HydrophobicContact CE1-CG1 4.47Å; Y417-V451 HydrophobicContact CE2-CG1 4.34Å; Y417-V451 VanDerWaalsContact OH-CG1 3.27Å; Y417-V451 WeakPolarHBondContact OH-CG1 3.34Å; Y417-D452 WeakPolarHBondContact CE1-OD1 3.4Å; Y417-D452 PolarHBondContact OH-OD1 3.27Å; Y417-V455 HydrophobicContact CD1-CG1 4.28Å; Y417-V455 HydrophobicContact CD1-CG2 4.03Å; Y417-V455 HydrophobicContact CE1-CB 4.47Å; Y417-V455 HydrophobicContact CE1-CG1 4.44Å; Y417-V455 HydrophobicContact CE1-CG2 3.78Å |
| 418 | T | 91.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -32.7 | 178.6 | 58 | 0 | 0 | 0 | 0 | 113.2 | L414 V415 I416 I420 T422 V455 F459 | L414-T418 WeakPolarHBondContact O-CG2 3.44Å; L414-T418 PolarHBondContact O-N 2.93Å; L414-T418 PolarHBondContact O-OG1 2.89Å; V415-T418 WeakPolarHBondContact CA-OG1 3.26Å; V415-T418 PolarHBondContact O-N 2.9Å; V415-T418 VanDerWaalsContact O-N 3.14Å; V415-T418 PolarHBondContact O-OG1 2.93Å; I416-T418 PolarHBondContact O-N 3.24Å; T418-I420 VanDerWaalsContact C-N 3.31Å; T418-I420 PolarHBondContact O-N 2.74Å; T418-T422 WeakPolarHBondContact O-CB 3.4Å; T418-T422 PolarHBondContact O-N 3.18Å; T418-T422 PolarHBondContact O-OG1 2.77Å; T418-V455 HydrophobicContact CG2-CG1 3.73Å; T418-F459 HydrophobicContact CG2-CE2 3.87Å; T418-F459 HydrophobicContact CG2-CZ 4.5Å |
| 419 | A | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.3 | -25.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V415 I416 Y417 P423 L531 L558 W562 | V415-A419 WeakPolarHBondContact O-CB 3.42Å; V415-A419 PolarHBondContact O-N 2.95Å; I416-A419 PolarHBondContact O-N 3.03Å; Y417-A419 VanDerWaalsContact C-N 3.3Å; Y417-A419 PolarHBondContact O-N 3.09Å; A419-P423 WeakPolarHBondContact O-CD 3.26Å; A419-P423 WeakPolarHBondContact O-CG 3.46Å; A419-L531 HydrophobicContact CB-CD1 3.84Å; A419-L531 HydrophobicContact CB-CD2 3.89Å; A419-L531 HydrophobicContact CB-CG 4.14Å; A419-L558 HydrophobicContact CB-CD1 4.25Å; A419-L558 HydrophobicContact CB-CD2 3.71Å; A419-W562 HydrophobicContact CB-CZ2 4.47Å; A419-W562 PolarHBondContact O-NE1 2.73Å |
| 420 | I | 92.3 | Very high | 87.6 | Confident | 77 Ų | 77 | 31.8 Ų | 31.8 | 40% | 0.395 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -85.4 | -51.5 | 171.6 | -61.7 | 169.2 | 0 | 0 | 0 | 110.3 | I416 Y417 T418 P423 Y424 L558 H561 | I416-I420 HydrophobicContact CG2-CD1 4.05Å; I416-I420 WeakPolarHBondContact O-CG1 3.39Å; I416-I420 PolarHBondContact O-N 3.36Å; Y417-I420 PolarHBondContact O-N 3.44Å; T418-I420 VanDerWaalsContact C-N 3.31Å; T418-I420 PolarHBondContact O-N 2.74Å; I420-P423 WeakPolarHBondContact O-CD 3.39Å; I420-Y424 WeakPolarHBondContact O-CB 3.39Å; I420-Y424 PolarHBondContact O-N 2.77Å; I420-L558 HydrophobicContact CG1-CD2 3.62Å; I420-H561 PolarHBondContact O-NE2 2.96Å |
| 421 | L | 89.4 | Confident | 85.8 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -79.3 | -29.6 | -168.8 | -168.2 | 62.8 | 0 | 0 | 0 | 114.3 | Y417 Y424 S425 D452 | Y417-L421 HydrophobicContact CE1-CD2 4Å; Y417-L421 HydrophobicContact CE2-CD2 4.06Å; Y417-L421 VanDerWaalsContact CZ-CD2 3.46Å; Y417-L421 PolarHBondContact O-N 2.98Å; Y417-L421 WeakPolarHBondContact OH-CD2 3.43Å; L421-Y424 HydrophobicContact CD1-CD1 3.9Å; L421-Y424 PolarHBondContact O-N 3.1Å; L421-S425 WeakPolarHBondContact O-CB 3.45Å; L421-S425 PolarHBondContact O-N 3.46Å; L421-S425 PolarHBondContact O-OG 2.97Å; L421-D452 WeakPolarHBondContact CD2-OD1 3.47Å |
| 422 | T | 88.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -49.6 | -179.9 | -47.6 | 0 | 0 | 0 | 0 | 112 | T418 Y424 S425 A426 K524 R527 | T418-T422 WeakPolarHBondContact O-CB 3.4Å; T418-T422 PolarHBondContact O-N 3.18Å; T418-T422 PolarHBondContact O-OG1 2.77Å; T422-Y424 VanDerWaalsContact C-N 3.34Å; T422-Y424 PolarHBondContact O-N 2.83Å; T422-S425 PolarHBondContact O-N 3.15Å; T422-S425 PolarHBondContact O-OG 2.56Å; T422-S425 VanDerWaalsContact O-OG 3.07Å; T422-A426 WeakPolarHBondContact O-CB 3.43Å; T422-A426 PolarHBondContact O-N 3.27Å; T422-K524 VanDerWaalsContact CG2-O 3.3Å; T422-K524 WeakPolarHBondContact CG2-O 2.92Å; T422-R527 HydrophobicContact CG2-CB 4.08Å |
| 423 | P | 90.8 | Very high | 82.2 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 176.3 | -21.3 | 35.6 | 0 | 0 | 0 | 112.8 | A419 I420 A426 A427 L528 C565 | A419-P423 WeakPolarHBondContact O-CD 3.26Å; A419-P423 WeakPolarHBondContact O-CG 3.46Å; I420-P423 WeakPolarHBondContact O-CD 3.39Å; P423-A426 PolarHBondContact O-N 3.32Å; P423-A427 VanDerWaalsContact O-CB 3.32Å; P423-A427 WeakPolarHBondContact O-CB 3.46Å; P423-A427 PolarHBondContact O-N 2.87Å; P423-L528 HydrophobicContact CG-CD1 4.39Å; P423-L528 HydrophobicContact CG-CD2 4.02Å; P423-C565 HydrophobicContact CB-CB 4.17Å |
| 424 | Y | 89.9 | Confident | 80.2 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.9 | 179.3 | -96.2 | 0 | 0 | 0 | 111.7 | I420 L421 T422 A427 F428 L429 Y611 | I420-Y424 WeakPolarHBondContact O-CB 3.39Å; I420-Y424 PolarHBondContact O-N 2.77Å; L421-Y424 HydrophobicContact CD1-CD1 3.9Å; L421-Y424 PolarHBondContact O-N 3.1Å; T422-Y424 VanDerWaalsContact C-N 3.34Å; T422-Y424 PolarHBondContact O-N 2.83Å; Y424-A427 PolarHBondContact O-N 2.82Å; Y424-F428 HydrophobicContact CD2-CB 4.46Å; Y424-F428 AromaticContact CD2-CD2 3.57Å; Y424-F428 HydrophobicContact CD2-CD2 3.57Å; Y424-F428 HydrophobicContact CD2-CE2 4.08Å; Y424-F428 HydrophobicContact CD2-CG 4.17Å; Y424-F428 HydrophobicContact CE2-CB 4.18Å; Y424-F428 AromaticContact CE2-CD2 3.81Å; Y424-F428 HydrophobicContact CE2-CD2 3.81Å; Y424-F428 HydrophobicContact CE2-CE2 4.36Å; Y424-F428 AromaticContact CE2-CG 3.95Å; Y424-F428 HydrophobicContact CE2-CG 3.95Å; Y424-F428 HydrophobicContact CG-CD2 4.3Å; Y424-F428 WeakPolarHBondContact O-CB 3.44Å; Y424-F428 PolarHBondContact O-N 2.81Å; Y424-L429 HydrophobicContact CD1-CD1 4.16Å; Y424-L429 HydrophobicContact CE1-CD1 3.96Å; Y424-L429 HydrophobicContact CE1-CG 4.23Å; Y424-Y611 HydrophobicContact CD2-CD2 4.02Å; Y424-Y611 HydrophobicContact CD2-CE2 4.09Å; Y424-Y611 HydrophobicContact CE2-CD2 4.03Å; Y424-Y611 HydrophobicContact CE2-CE2 4.44Å; Y424-Y611 HydrophobicContact CE2-CG 4.17Å |
| 425 | S | 84.8 | Confident | 78.3 | Confident | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -66.7 | -39.6 | 178 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | L421 T422 L429 L430 | L421-S425 WeakPolarHBondContact O-CB 3.45Å; L421-S425 PolarHBondContact O-N 3.46Å; L421-S425 PolarHBondContact O-OG 2.97Å; T422-S425 PolarHBondContact O-N 3.15Å; T422-S425 PolarHBondContact O-OG 2.56Å; T422-S425 VanDerWaalsContact O-OG 3.07Å; S425-L429 PolarHBondContact O-N 2.74Å; S425-L429 VanDerWaalsContact O-N 3.13Å; S425-L430 PolarHBondContact O-N 2.93Å; S425-L430 VanDerWaalsContact O-N 3.14Å |
| 426 | A | 83.9 | Confident | 76.3 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -62.8 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T422 P423 L430 T525 | T422-A426 WeakPolarHBondContact O-CB 3.43Å; T422-A426 PolarHBondContact O-N 3.27Å; P423-A426 PolarHBondContact O-N 3.32Å; A426-L430 HydrophobicContact CB-CD1 4.48Å; A426-L430 WeakPolarHBondContact O-CD1 3.38Å; A426-T525 HydrophobicContact CB-CG2 4.45Å |
| 427 | A | 85.3 | Confident | 74.3 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -86 | -39.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | P423 Y424 C565 Y568 | P423-A427 VanDerWaalsContact O-CB 3.32Å; P423-A427 WeakPolarHBondContact O-CB 3.46Å; P423-A427 PolarHBondContact O-N 2.87Å; Y424-A427 PolarHBondContact O-N 2.82Å; A427-C565 HydrophobicContact CB-CB 3.87Å; A427-C565 WeakPolarHBondContact CB-O 3.14Å; A427-Y568 HydrophobicContact CB-CD1 4.48Å; A427-Y568 WeakPolarHBondContact O-CD1 3.18Å; A427-Y568 WeakPolarHBondContact O-CE1 3.4Å |
| 428 | F | 82.4 | Confident | 72.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -103.9 | -36.2 | -171.3 | -66.6 | -91.9 | 0 | 0 | 0 | 114.1 | Y424 Y568 I607 K610 Y611 | Y424-F428 HydrophobicContact CD2-CB 4.46Å; Y424-F428 AromaticContact CD2-CD2 3.57Å; Y424-F428 HydrophobicContact CD2-CD2 3.57Å; Y424-F428 HydrophobicContact CD2-CE2 4.08Å; Y424-F428 HydrophobicContact CD2-CG 4.17Å; Y424-F428 HydrophobicContact CE2-CB 4.18Å; Y424-F428 AromaticContact CE2-CD2 3.81Å; Y424-F428 HydrophobicContact CE2-CD2 3.81Å; Y424-F428 HydrophobicContact CE2-CE2 4.36Å; Y424-F428 AromaticContact CE2-CG 3.95Å; Y424-F428 HydrophobicContact CE2-CG 3.95Å; Y424-F428 HydrophobicContact CG-CD2 4.3Å; Y424-F428 WeakPolarHBondContact O-CB 3.44Å; Y424-F428 PolarHBondContact O-N 2.81Å; F428-Y568 AromaticContact CD1-CD1 3.49Å; F428-Y568 HydrophobicContact CD1-CD1 3.49Å; F428-Y568 VanDerWaalsContact CD1-CD1 3.49Å; F428-Y568 HydrophobicContact CD1-CD2 4.31Å; F428-Y568 AromaticContact CD1-CE1 3.46Å; F428-Y568 HydrophobicContact CD1-CE1 3.46Å; F428-Y568 VanDerWaalsContact CD1-CE1 3.46Å; F428-Y568 HydrophobicContact CD1-CE2 4.29Å; F428-Y568 AromaticContact CD1-CG 3.92Å; F428-Y568 HydrophobicContact CD1-CG 3.92Å; F428-Y568 AromaticContact CD1-CZ 3.88Å; F428-Y568 HydrophobicContact CD2-CD1 4.22Å; F428-Y568 AromaticContact CE1-CD1 3.38Å; F428-Y568 HydrophobicContact CE1-CD1 3.38Å; F428-Y568 AromaticContact CE1-CD2 3.61Å; F428-Y568 HydrophobicContact CE1-CD2 3.61Å; F428-Y568 AromaticContact CE1-CE1 3.75Å; F428-Y568 HydrophobicContact CE1-CE1 3.75Å; F428-Y568 AromaticContact CE1-CE2 3.97Å; F428-Y568 HydrophobicContact CE1-CE2 3.97Å; F428-Y568 AromaticContact CE1-CG 3.29Å; F428-Y568 HydrophobicContact CE1-CG 3.29Å; F428-Y568 HydrophobicContact CE2-CD1 4.11Å; F428-Y568 HydrophobicContact CE2-CG 4.26Å; F428-Y568 AromaticContact CG-CD1 3.93Å; F428-Y568 HydrophobicContact CG-CD1 3.93Å; F428-Y568 HydrophobicContact CG-CE1 4.02Å; F428-Y568 AromaticContact CZ-CD1 3.71Å; F428-Y568 HydrophobicContact CZ-CD1 3.71Å; F428-Y568 HydrophobicContact CZ-CD2 4.15Å; F428-Y568 HydrophobicContact CZ-CE1 4.49Å; F428-Y568 AromaticContact CZ-CG 3.49Å; F428-Y568 HydrophobicContact CZ-CG 3.49Å; F428-Y568 VanDerWaalsContact CZ-CG 3.49Å; F428-I607 HydrophobicContact CB-CG2 4.39Å; F428-I607 HydrophobicContact CD1-CG2 4.05Å; F428-K610 HydrophobicContact CE1-CB 4.36Å; F428-Y611 AromaticContact CE2-CD2 3.8Å; F428-Y611 HydrophobicContact CE2-CD2 3.8Å; F428-Y611 AromaticContact CZ-CD2 3.78Å; F428-Y611 HydrophobicContact CZ-CD2 3.78Å; F428-Y611 HydrophobicContact CZ-CG 4.36Å |
| 429 | L | 72.8 | Confident | 70.4 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -97.2 | -20.4 | -170.5 | -67.1 | 169 | 0 | 0 | 0 | 114.3 | Y424 S425 N431 | Y424-L429 HydrophobicContact CD1-CD1 4.16Å; Y424-L429 HydrophobicContact CE1-CD1 3.96Å; Y424-L429 HydrophobicContact CE1-CG 4.23Å; S425-L429 PolarHBondContact O-N 2.74Å; S425-L429 VanDerWaalsContact O-N 3.13Å; L429-N431 PolarHBondContact O-N 2.99Å |
| 430 | L | 63.9 | Low | 68.5 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.3 | 177.3 | -74 | -176.5 | 0 | 0 | 0 | 114.2 | S425 A426 | S425-L430 PolarHBondContact O-N 2.93Å; S425-L430 VanDerWaalsContact O-N 3.14Å; A426-L430 HydrophobicContact CB-CD1 4.48Å; A426-L430 WeakPolarHBondContact O-CD1 3.38Å |
| 431 | N | 55.4 | Low | 66.4 | Low | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 0.6 | -168.7 | -159.9 | 55.8 | 0 | 0 | 0 | 115 | L429 Q433 N572 | L429-N431 PolarHBondContact O-N 2.99Å; N431-Q433 PolarHBondContact O-N 3.41Å; N431-N572 PolarHBondContact ND2-ND2 2.91Å; N431-N572 VanDerWaalsContact ND2-ND2 3.15Å |
| 432 | D | 55.6 | Low | 64.6 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | trans | -81.7 | 111 | 177 | -90.7 | -6.5 | 0 | 0 | 0 | 110.7 | E434 E435 Q436 I607 | D432-E434 PolarHBondContact O-N 3.1Å; D432-E435 HydrophobicContact CB-CB 4.41Å; D432-E435 PolarHBondContact O-N 2.83Å; D432-Q436 PolarHBondContact O-N 2.86Å; D432-I607 WeakPolarHBondContact OD2-CD1 3.42Å | ||
| 433 | Q | 49 | Very low | 62.9 | Low | 133 Ų | 133 | 70.1 Ų | 70.1 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.9 | -25.3 | 172.6 | -72 | -167.6 | -21.4 | 0 | 0 | 112.9 | N431 E435 Q436 R437 | N431-Q433 PolarHBondContact O-N 3.41Å; Q433-E435 VanDerWaalsContact C-N 3.32Å; Q433-Q436 VanDerWaalsContact O-CB 3.24Å; Q433-Q436 WeakPolarHBondContact O-CB 3.5Å; Q433-Q436 PolarHBondContact O-N 2.86Å; Q433-R437 PolarHBondContact O-N 3.45Å |
| 434 | E | 49.7 | Very low | 61.1 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.2 | -23.6 | 177.1 | -149.3 | 174.1 | 135.1 | 0 | 0 | 112.7 | D432 R438 N602 | D432-E434 PolarHBondContact O-N 3.1Å; E434-R438 WeakPolarHBondContact O-CD 3.35Å; E434-R438 VanDerWaalsContact O-CG 3.25Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 IonicContact OE1-NH2 2.68Å; E434-R438 PolarHBondContact OE1-NH2 3.17Å; E434-N602 PolarHBondContact OE2-ND2 2.94Å |
| 435 | E | 51.2 | Low | 59.5 | Low | 32 Ų | 32 | 75.8 Ų | 75.8 | 15% | 0.15 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -82.6 | -30.3 | 167.3 | -173 | 149.2 | -138.7 | 0 | 0 | 112.1 | D432 Q433 R437 R438 R439 | D432-E435 HydrophobicContact CB-CB 4.41Å; D432-E435 PolarHBondContact O-N 2.83Å; Q433-E435 VanDerWaalsContact C-N 3.32Å; E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 2.94Å; E435-R438 PolarHBondContact O-N 3.35Å; E435-R439 WeakPolarHBondContact O-CG 3.46Å; E435-R439 PolarHBondContact O-N 3.39Å |
| 436 | Q | 50 | Low | 58.6 | Low | 74 Ų | 74 | 76.1 Ų | 76.1 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -52.3 | -48.5 | 169.9 | -146.9 | 90.3 | -16.3 | 0 | 0 | 110.8 | D432 Q433 R438 R439 | D432-Q436 PolarHBondContact O-N 2.86Å; Q433-Q436 VanDerWaalsContact O-CB 3.24Å; Q433-Q436 WeakPolarHBondContact O-CB 3.5Å; Q433-Q436 PolarHBondContact O-N 2.86Å; Q436-R438 PolarHBondContact O-N 2.97Å; Q436-R439 PolarHBondContact O-N 3.02Å; Q436-R439 VanDerWaalsContact OE1-NH1 3.14Å |
| 437 | R | 48.8 | Very low | 58.4 | Low | 176 Ų | 176 | 79.9 Ų | 79.9 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.8 | -30.5 | 174.4 | -67.1 | -178.2 | -175.8 | 153.2 | 3.8 | 113.9 | Q433 E435 R439 E440 | Q433-R437 PolarHBondContact O-N 3.45Å; E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 2.94Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-E440 PolarHBondContact O-N 3.35Å |
| 438 | R | 50.1 | Low | 58.1 | Low | 149 Ų | 149 | 83.3 Ų | 83.3 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.1 | -24.6 | 177.1 | -70.9 | 167.5 | -166.4 | 178 | 6.7 | 112.4 | E434 E435 Q436 E440 C441 | E434-R438 WeakPolarHBondContact O-CD 3.35Å; E434-R438 VanDerWaalsContact O-CG 3.25Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 IonicContact OE1-NH2 2.68Å; E434-R438 PolarHBondContact OE1-NH2 3.17Å; E435-R438 PolarHBondContact O-N 3.35Å; Q436-R438 PolarHBondContact O-N 2.97Å; R438-E440 VanDerWaalsContact C-N 3.27Å; R438-E440 PolarHBondContact O-N 3.49Å; R438-C441 PolarHBondContact O-N 3.07Å |
| 439 | R | 52.7 | Low | 57.9 | Low | 94 Ų | 94 | 85.5 Ų | 85.5 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.4 | 175.3 | -66.1 | 168.3 | -164.1 | 165.6 | 10.5 | 113.4 | E435 Q436 R437 C441 | E435-R439 WeakPolarHBondContact O-CG 3.46Å; E435-R439 PolarHBondContact O-N 3.39Å; Q436-R439 PolarHBondContact O-N 3.02Å; Q436-R439 VanDerWaalsContact OE1-NH1 3.14Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R439-C441 PolarHBondContact O-N 3.32Å |
| 440 | E | 50.9 | Low | 58.4 | Low | 169 Ų | 169 | 87.6 Ų | 87.6 | 79% | 0.79 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.5 | 173.5 | -59.3 | 179.7 | 153.8 | 0 | 0 | 111.8 | R437 R438 | R437-E440 PolarHBondContact O-N 3.35Å; R438-E440 VanDerWaalsContact C-N 3.27Å; R438-E440 PolarHBondContact O-N 3.49Å |
| 441 | C | 48.6 | Very low | 59.5 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -88.4 | 119.8 | 163.9 | -71.5 | 0 | 0 | 0 | 0 | 109.4 | R438 R439 C445 | R438-C441 PolarHBondContact O-N 3.07Å; R439-C441 PolarHBondContact O-N 3.32Å; C441-C445 HydrophobicContact CB-CB 3.85Å |
| 442 | G | 52.7 | Low | 61 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | trans | -59.9 | 173.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S444 C445 | G442-S444 PolarHBondContact O-N 3.01Å; G442-S444 PolarHBondContact O-OG 3.26Å; G442-C445 PolarHBondContact O-N 3.27Å | ||
| 443 | Y | 53.1 | Low | 62.4 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -43.3 | -24.3 | -170.3 | -67.8 | -85.5 | 0 | 0 | 0 | 117.4 | C445 V450 D505 L506 F509 | Y443-C445 PolarHBondContact O-N 2.97Å; Y443-V450 WeakPolarHBondContact O-CG2 3.45Å; Y443-D505 PolarHBondContact OH-O 3.25Å; Y443-L506 HydrophobicContact CE1-CD2 4.42Å; Y443-F509 HydrophobicContact CD2-CD2 4.44Å; Y443-F509 HydrophobicContact CD2-CE2 4.33Å; Y443-F509 HydrophobicContact CE2-CB 4.44Å; Y443-F509 AromaticContact CE2-CD2 3.52Å; Y443-F509 HydrophobicContact CE2-CD2 3.52Å; Y443-F509 AromaticContact CE2-CE2 3.83Å; Y443-F509 HydrophobicContact CE2-CE2 3.83Å; Y443-F509 AromaticContact CE2-CG 3.92Å; Y443-F509 HydrophobicContact CE2-CG 3.92Å; Y443-F509 HydrophobicContact CE2-CZ 4.46Å; Y443-F509 AromaticContact CZ-CD2 3.72Å; Y443-F509 WeakPolarHBondContact OH-CB 3.42Å |
| 444 | S | 52.6 | Low | 64.3 | Low | 110 Ų | 110 | 83.5 Ų | 83.5 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -63 | -19.4 | 174 | 51.2 | 0 | 0 | 0 | 0 | 115 | G442 | G442-S444 PolarHBondContact O-N 3.01Å; G442-S444 PolarHBondContact O-OG 3.26Å |
| 445 | C | 56.1 | Low | 66.3 | Low | 82 Ų | 82 | 79.5 Ų | 79.5 | 55% | 0.554 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -98.3 | -0.5 | -168 | -62.7 | 0 | 0 | 0 | 0 | 115.3 | C441 G442 Y443 | C441-C445 HydrophobicContact CB-CB 3.85Å; G442-C445 PolarHBondContact O-N 3.27Å; Y443-C445 PolarHBondContact O-N 2.97Å |
| 446 | S | 66.8 | Low | 68.1 | Low | 23 Ų | 23 | 78.1 Ų | 78.1 | 16% | 0.161 | 41% | 0.408 | C | S | . | . | trans | -132.3 | 108.3 | -178.6 | 48.4 | 0 | 0 | 0 | 0 | 112 | L448 N449 V450 | S446-L448 VanDerWaalsContact C-N 3.31Å; S446-L448 PolarHBondContact O-N 3Å; S446-N449 PolarHBondContact O-N 3Å; S446-N449 PolarHBondContact OG-ND2 2.82Å; S446-V450 PolarHBondContact O-N 3.31Å | ||
| 447 | P | 78.9 | Confident | 70.1 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.3 | -29.5 | -171.3 | 24.9 | -34 | 0 | 0 | 0 | 113.6 | V450 V451 | P447-V450 PolarHBondContact O-N 3.41Å; P447-V451 WeakPolarHBondContact O-CG2 3.13Å; P447-V451 PolarHBondContact O-N 3.37Å; P447-V451 VanDerWaalsContact O-N 3.13Å |
| 448 | L | 78.6 | Confident | 72.2 | Confident | 90 Ų | 90 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.2 | -66.2 | 174.6 | 0 | 0 | 0 | 112.1 | S446 V450 V451 D452 | S446-L448 VanDerWaalsContact C-N 3.31Å; S446-L448 PolarHBondContact O-N 3Å; L448-V450 VanDerWaalsContact C-N 3.27Å; L448-V450 PolarHBondContact O-N 3.21Å; L448-V451 PolarHBondContact O-N 3.48Å; L448-V451 VanDerWaalsContact O-N 3.11Å; L448-D452 PolarHBondContact O-N 2.85Å |
| 449 | N | 78.2 | Confident | 74.2 | Confident | 48 Ų | 48 | 65 Ų | 65 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -30 | 179.6 | -65.3 | -45.8 | 0 | 0 | 0 | 112.2 | S446 L453 | S446-N449 PolarHBondContact O-N 3Å; S446-N449 PolarHBondContact OG-ND2 2.82Å; N449-L453 WeakPolarHBondContact O-CB 3.26Å; N449-L453 PolarHBondContact O-N 2.92Å |
| 450 | V | 84 | Confident | 76.1 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 47% | 0.473 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | Y443 S446 P447 L448 M454 | Y443-V450 WeakPolarHBondContact O-CG2 3.45Å; S446-V450 PolarHBondContact O-N 3.31Å; P447-V450 PolarHBondContact O-N 3.41Å; L448-V450 VanDerWaalsContact C-N 3.27Å; L448-V450 PolarHBondContact O-N 3.21Å; V450-M454 PolarHBondContact O-N 2.9Å; V450-M454 VanDerWaalsContact O-N 3.08Å |
| 451 | V | 86.9 | Confident | 78.1 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | Y417 P447 L448 L453 M454 V455 | Y417-V451 HydrophobicContact CE1-CG1 4.47Å; Y417-V451 HydrophobicContact CE2-CG1 4.34Å; Y417-V451 VanDerWaalsContact OH-CG1 3.27Å; Y417-V451 WeakPolarHBondContact OH-CG1 3.34Å; P447-V451 WeakPolarHBondContact O-CG2 3.13Å; P447-V451 PolarHBondContact O-N 3.37Å; P447-V451 VanDerWaalsContact O-N 3.13Å; L448-V451 PolarHBondContact O-N 3.48Å; L448-V451 VanDerWaalsContact O-N 3.11Å; V451-L453 VanDerWaalsContact C-N 3.31Å; V451-L453 PolarHBondContact O-N 3.37Å; V451-M454 HydrophobicContact CG1-CE 4.4Å; V451-M454 WeakPolarHBondContact O-CB 3.48Å; V451-M454 PolarHBondContact O-N 3.45Å; V451-M454 VanDerWaalsContact O-N 3.07Å; V451-V455 HydrophobicContact CG1-CG2 4.15Å; V451-V455 VanDerWaalsContact O-CG2 3.26Å; V451-V455 WeakPolarHBondContact O-CG2 3.42Å; V451-V455 PolarHBondContact O-N 2.91Å |
| 452 | D | 86 | Confident | 80.2 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 178.4 | -87 | 17.5 | 0 | 0 | 0 | 112.6 | Y417 L421 L448 V455 D456 R527 | Y417-D452 WeakPolarHBondContact CE1-OD1 3.4Å; Y417-D452 PolarHBondContact OH-OD1 3.27Å; L421-D452 WeakPolarHBondContact CD2-OD1 3.47Å; L448-D452 PolarHBondContact O-N 2.85Å; D452-V455 PolarHBondContact O-N 3.16Å; D452-D456 PolarHBondContact O-N 2.64Å; D452-R527 IonicContact OD2-NH1 3.83Å |
| 453 | L | 85.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 172.2 | -179.9 | 61.6 | 0 | 0 | 0 | 112.3 | N449 V451 V455 D456 I457 | N449-L453 WeakPolarHBondContact O-CB 3.26Å; N449-L453 PolarHBondContact O-N 2.92Å; V451-L453 VanDerWaalsContact C-N 3.31Å; V451-L453 PolarHBondContact O-N 3.37Å; L453-V455 VanDerWaalsContact C-N 3.33Å; L453-V455 PolarHBondContact O-N 3.25Å; L453-D456 PolarHBondContact O-N 3.33Å; L453-I457 HydrophobicContact CD1-CD1 4.39Å; L453-I457 HydrophobicContact CG-CD1 4.17Å; L453-I457 WeakPolarHBondContact O-CD1 3.47Å; L453-I457 VanDerWaalsContact O-CG1 3.28Å; L453-I457 WeakPolarHBondContact O-CG1 3.29Å; L453-I457 PolarHBondContact O-N 3.03Å |
| 454 | M | 88.9 | Confident | 84 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175 | -177.1 | -171.9 | 70.4 | 0 | 0 | 111.7 | V450 V451 I457 M458 | V450-M454 PolarHBondContact O-N 2.9Å; V450-M454 VanDerWaalsContact O-N 3.08Å; V451-M454 HydrophobicContact CG1-CE 4.4Å; V451-M454 WeakPolarHBondContact O-CB 3.48Å; V451-M454 PolarHBondContact O-N 3.45Å; V451-M454 VanDerWaalsContact O-N 3.07Å; M454-I457 PolarHBondContact O-N 3.14Å; M454-M458 WeakPolarHBondContact O-CG 3.41Å; M454-M458 PolarHBondContact O-N 3.39Å |
| 455 | V | 91.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L414 Y417 T418 V451 D452 L453 I457 M458 F459 | L414-V455 HydrophobicContact CD2-CG1 4.32Å; L414-V455 HydrophobicContact CD2-CG2 3.9Å; Y417-V455 HydrophobicContact CD1-CG1 4.28Å; Y417-V455 HydrophobicContact CD1-CG2 4.03Å; Y417-V455 HydrophobicContact CE1-CB 4.47Å; Y417-V455 HydrophobicContact CE1-CG1 4.44Å; Y417-V455 HydrophobicContact CE1-CG2 3.78Å; T418-V455 HydrophobicContact CG2-CG1 3.73Å; V451-V455 HydrophobicContact CG1-CG2 4.15Å; V451-V455 VanDerWaalsContact O-CG2 3.26Å; V451-V455 WeakPolarHBondContact O-CG2 3.42Å; V451-V455 PolarHBondContact O-N 2.91Å; D452-V455 PolarHBondContact O-N 3.16Å; L453-V455 VanDerWaalsContact C-N 3.33Å; L453-V455 PolarHBondContact O-N 3.25Å; V455-I457 PolarHBondContact O-N 2.84Å; V455-M458 WeakPolarHBondContact O-CB 3.29Å; V455-M458 PolarHBondContact O-N 3.22Å; V455-F459 HydrophobicContact CG1-CD2 3.86Å; V455-F459 HydrophobicContact CG1-CE2 3.54Å; V455-F459 WeakPolarHBondContact O-CD2 3.29Å; V455-F459 PolarHBondContact O-N 3.38Å; V455-F459 VanDerWaalsContact O-N 3.07Å |
| 456 | D | 90.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174.7 | -78.5 | 5.3 | 0 | 0 | 0 | 111.9 | D452 L453 M458 F459 I460 P503 R527 R530 | D452-D456 PolarHBondContact O-N 2.64Å; L453-D456 PolarHBondContact O-N 3.33Å; D456-M458 VanDerWaalsContact C-N 3.33Å; D456-M458 PolarHBondContact O-N 2.99Å; D456-F459 PolarHBondContact O-N 3.06Å; D456-F459 VanDerWaalsContact O-N 3.16Å; D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.44Å; D456-I460 VanDerWaalsContact O-N 3.07Å; D456-P503 HydrophobicContact CB-CB 4.48Å; D456-P503 WeakPolarHBondContact OD2-CA 3.47Å; D456-R527 IonicContact OD1-CZ 3.79Å; D456-R527 IonicContact OD1-NE 2.93Å; D456-R527 PolarHBondContact OD1-NE 3.01Å; D456-R527 IonicContact OD1-NH2 3.32Å; D456-R527 IonicContact OD2-CZ 2.84Å; D456-R527 IonicContact OD2-NE 3.04Å; D456-R527 PolarHBondContact OD2-NE 3.5Å; D456-R527 IonicContact OD2-NH2 3.81Å; D456-R527 PolarHBondContact OD2-NH2 3.49Å; D456-R530 IonicContact OD1-CZ 3.11Å; D456-R530 IonicContact OD1-NH1 2.84Å; D456-R530 PolarHBondContact OD1-NH1 2.95Å; D456-R530 IonicContact OD1-NH2 2.67Å; D456-R530 PolarHBondContact OD1-NH2 3.48Å; D456-R530 IonicContact OD2-NH2 2.66Å |
| 457 | I | 91.5 | Very high | 88.6 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 43% | 0.431 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 173.9 | -70 | 164.1 | 0 | 0 | 0 | 111.4 | L453 M454 V455 F459 I460 I461 | L453-I457 HydrophobicContact CD1-CD1 4.39Å; L453-I457 HydrophobicContact CG-CD1 4.17Å; L453-I457 WeakPolarHBondContact O-CD1 3.47Å; L453-I457 VanDerWaalsContact O-CG1 3.28Å; L453-I457 WeakPolarHBondContact O-CG1 3.29Å; L453-I457 PolarHBondContact O-N 3.03Å; M454-I457 PolarHBondContact O-N 3.14Å; V455-I457 PolarHBondContact O-N 2.84Å; I457-F459 VanDerWaalsContact C-N 3.32Å; I457-F459 PolarHBondContact O-N 3.22Å; I457-I460 PolarHBondContact O-N 3.14Å; I457-I461 HydrophobicContact CG2-CD1 3.98Å; I457-I461 WeakPolarHBondContact O-CG1 3.38Å; I457-I461 PolarHBondContact O-N 2.98Å |
| 458 | M | 91.9 | Very high | 89.2 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 176.1 | -71.8 | -69 | -69.9 | 0 | 0 | 112.6 | W407 L410 L414 M454 V455 D456 I461 D462 | W407-M458 HydrophobicContact CH2-CE 3.39Å; W407-M458 HydrophobicContact CH2-SD 4.08Å; W407-M458 HydrophobicContact CZ2-CE 4.13Å; W407-M458 HydrophobicContact CZ3-CE 3.78Å; L410-M458 HydrophobicContact CD2-CE 3.61Å; L410-M458 HydrophobicContact CG-CE 4.34Å; L414-M458 HydrophobicContact CD1-CB 3.89Å; L414-M458 HydrophobicContact CD1-CE 4.17Å; L414-M458 HydrophobicContact CD1-CG 4.34Å; M454-M458 WeakPolarHBondContact O-CG 3.41Å; M454-M458 PolarHBondContact O-N 3.39Å; V455-M458 WeakPolarHBondContact O-CB 3.29Å; V455-M458 PolarHBondContact O-N 3.22Å; D456-M458 VanDerWaalsContact C-N 3.33Å; D456-M458 PolarHBondContact O-N 2.99Å; M458-I461 PolarHBondContact O-N 3.39Å; M458-I461 HydrophobicContact SD-CD1 4.37Å; M458-D462 PolarHBondContact O-N 3.03Å |
| 459 | F | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.3 | -28.7 | 174.9 | -78.4 | -67.2 | 0 | 0 | 0 | 113.7 | I411 L414 V415 T418 V455 D456 I457 I463 R530 R533 | I411-F459 HydrophobicContact CG2-CE1 4.14Å; L414-F459 HydrophobicContact CB-CE2 4.07Å; L414-F459 HydrophobicContact CB-CZ 3.85Å; V415-F459 HydrophobicContact CG2-CE1 3.68Å; V415-F459 HydrophobicContact CG2-CZ 3.71Å; T418-F459 HydrophobicContact CG2-CE2 3.87Å; T418-F459 HydrophobicContact CG2-CZ 4.5Å; V455-F459 HydrophobicContact CG1-CD2 3.86Å; V455-F459 HydrophobicContact CG1-CE2 3.54Å; V455-F459 WeakPolarHBondContact O-CD2 3.29Å; V455-F459 PolarHBondContact O-N 3.38Å; V455-F459 VanDerWaalsContact O-N 3.07Å; D456-F459 PolarHBondContact O-N 3.06Å; D456-F459 VanDerWaalsContact O-N 3.16Å; I457-F459 VanDerWaalsContact C-N 3.32Å; I457-F459 PolarHBondContact O-N 3.22Å; F459-I463 WeakPolarHBondContact O-CG1 3.4Å; F459-I463 PolarHBondContact O-N 2.84Å; F459-R530 HydrophobicContact CE1-CB 4.45Å; F459-R530 HydrophobicContact CE1-CG 4.33Å; F459-R530 HydrophobicContact CZ-CB 4.46Å; F459-R530 HydrophobicContact CZ-CG 4.37Å; F459-R533 PolarHBondContact O-NH1 3.29Å |
| 460 | I | 92.4 | Very high | 90.4 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.2 | -42.6 | 170.5 | -65.2 | 166.1 | 0 | 0 | 0 | 110.4 | D456 I457 D462 I463 L464 A501 | D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.44Å; D456-I460 VanDerWaalsContact O-N 3.07Å; I457-I460 PolarHBondContact O-N 3.14Å; I460-D462 VanDerWaalsContact C-N 3.3Å; I460-D462 PolarHBondContact O-N 3.39Å; I460-I463 WeakPolarHBondContact O-CB 3.47Å; I460-I463 PolarHBondContact O-N 2.88Å; I460-L464 PolarHBondContact O-N 3.08Å; I460-A501 HydrophobicContact CG1-CB 4.14Å |
| 461 | I | 93.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 33% | 0.328 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.3 | -66.2 | 166 | 0 | 0 | 0 | 111 | W407 I457 M458 I463 L464 I465 | W407-I461 HydrophobicContact CH2-CB 4.4Å; W407-I461 HydrophobicContact CH2-CG2 3.67Å; W407-I461 HydrophobicContact CZ2-CB 4.37Å; W407-I461 HydrophobicContact CZ2-CG2 3.81Å; I457-I461 HydrophobicContact CG2-CD1 3.98Å; I457-I461 WeakPolarHBondContact O-CG1 3.38Å; I457-I461 PolarHBondContact O-N 2.98Å; M458-I461 PolarHBondContact O-N 3.39Å; M458-I461 HydrophobicContact SD-CD1 4.37Å; I461-I463 VanDerWaalsContact C-N 3.32Å; I461-I463 PolarHBondContact O-N 3.24Å; I461-L464 PolarHBondContact O-N 3.01Å; I461-I465 HydrophobicContact CG2-CD1 3.86Å; I461-I465 HydrophobicContact CG2-CG1 4.45Å; I461-I465 WeakPolarHBondContact O-CG1 3.2Å; I461-I465 PolarHBondContact O-N 2.91Å |
| 462 | D | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 175 | -169.9 | 59.5 | 0 | 0 | 0 | 112.7 | W407 I411 M458 I460 I465 N466 R533 | W407-D462 PolarHBondContact NE1-OD1 2.86Å; I411-D462 HydrophobicContact CD1-CB 3.72Å; I411-D462 HydrophobicContact CG1-CB 4.35Å; M458-D462 PolarHBondContact O-N 3.03Å; I460-D462 VanDerWaalsContact C-N 3.3Å; I460-D462 PolarHBondContact O-N 3.39Å; D462-I465 PolarHBondContact O-N 3.19Å; D462-N466 WeakPolarHBondContact O-CB 3.39Å; D462-N466 PolarHBondContact O-N 3.04Å; D462-N466 PolarHBondContact O-ND2 3.1Å; D462-N466 PolarHBondContact OD2-ND2 3.32Å; D462-N466 VanDerWaalsContact OD2-ND2 3.08Å; D462-R533 IonicContact OD2-CZ 3.57Å; D462-R533 IonicContact OD2-NH1 3.32Å; D462-R533 PolarHBondContact OD2-NH1 3.16Å |
| 463 | I | 92.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.9 | -66.5 | 167.4 | 0 | 0 | 0 | 110.6 | F459 I460 I461 I465 N466 F467 Y489 F494 D497 A501 | F459-I463 WeakPolarHBondContact O-CG1 3.4Å; F459-I463 PolarHBondContact O-N 2.84Å; I460-I463 WeakPolarHBondContact O-CB 3.47Å; I460-I463 PolarHBondContact O-N 2.88Å; I461-I463 VanDerWaalsContact C-N 3.32Å; I461-I463 PolarHBondContact O-N 3.24Å; I463-I465 VanDerWaalsContact C-N 3.32Å; I463-I465 PolarHBondContact O-N 2.81Å; I463-N466 PolarHBondContact O-N 2.93Å; I463-F467 HydrophobicContact CG2-CD2 3.97Å; I463-F467 HydrophobicContact CG2-CE2 3.79Å; I463-F467 VanDerWaalsContact O-CD2 3.28Å; I463-F467 WeakPolarHBondContact O-CD2 3.37Å; I463-F467 PolarHBondContact O-N 3.27Å; I463-Y489 HydrophobicContact CG2-CE1 4.26Å; I463-F494 HydrophobicContact CG2-CD2 4.34Å; I463-F494 HydrophobicContact CG2-CE2 4.16Å; I463-D497 HydrophobicContact CD1-CB 4.45Å; I463-D497 WeakPolarHBondContact CD1-O 3.41Å; I463-D497 HydrophobicContact CG1-CB 4.23Å; I463-A501 HydrophobicContact CD1-CB 3.65Å |
| 464 | L | 91.9 | Very high | 90.3 | Very high | 112 Ų | 112 | 50.4 Ų | 50.4 | 59% | 0.586 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.2 | -36.1 | 177.6 | -62.4 | 176 | 0 | 0 | 0 | 112.3 | I460 I461 | I460-L464 PolarHBondContact O-N 3.08Å; I461-L464 PolarHBondContact O-N 3.01Å |
| 465 | I | 91.6 | Very high | 89.8 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -45.6 | 173.3 | -73.4 | 168.5 | 0 | 0 | 0 | 110.5 | I397 K404 W407 I461 D462 I463 F467 R468 T469 | I397-I465 HydrophobicContact CD1-CG2 4.2Å; K404-I465 HydrophobicContact CD-CG2 4.33Å; W407-I465 HydrophobicContact CD2-CD1 3.83Å; W407-I465 VanDerWaalsContact CE2-CD1 3.43Å; W407-I465 HydrophobicContact CE3-CD1 4.27Å; W407-I465 HydrophobicContact CG-CD1 4.41Å; W407-I465 HydrophobicContact CH2-CD1 4.03Å; W407-I465 HydrophobicContact CZ2-CD1 3.56Å; W407-I465 HydrophobicContact CZ3-CD1 4.36Å; I461-I465 HydrophobicContact CG2-CD1 3.86Å; I461-I465 HydrophobicContact CG2-CG1 4.45Å; I461-I465 WeakPolarHBondContact O-CG1 3.2Å; I461-I465 PolarHBondContact O-N 2.91Å; D462-I465 PolarHBondContact O-N 3.19Å; I463-I465 VanDerWaalsContact C-N 3.32Å; I463-I465 PolarHBondContact O-N 2.81Å; I465-F467 VanDerWaalsContact C-N 3.29Å; I465-F467 PolarHBondContact O-N 2.94Å; I465-R468 CarbonylContact O-C 3.59Å; I465-R468 WeakPolarHBondContact O-CA 3.39Å; I465-R468 PolarHBondContact O-N 3.15Å; I465-T469 HydrophobicContact CG2-CG2 3.84Å; I465-T469 WeakPolarHBondContact O-CG2 3.39Å; I465-T469 PolarHBondContact O-N 2.87Å |
| 466 | N | 90.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -33.5 | -179.8 | -69.1 | -36 | 0 | 0 | 0 | 112.4 | D462 I463 R468 T469 Y489 | D462-N466 WeakPolarHBondContact O-CB 3.39Å; D462-N466 PolarHBondContact O-N 3.04Å; D462-N466 PolarHBondContact O-ND2 3.1Å; D462-N466 PolarHBondContact OD2-ND2 3.32Å; D462-N466 VanDerWaalsContact OD2-ND2 3.08Å; I463-N466 PolarHBondContact O-N 2.93Å; N466-R468 PolarHBondContact O-N 3.47Å; N466-T469 WeakPolarHBondContact CA-OG1 3.4Å; N466-T469 PolarHBondContact O-N 2.83Å; N466-T469 PolarHBondContact O-OG1 3.48Å; N466-T469 VanDerWaalsContact O-OG1 3.06Å; N466-Y489 HydrophobicContact CB-CE1 4.06Å; N466-Y489 HydrophobicContact CB-CE2 4.4Å |
| 467 | F | 91.6 | Very high | 88.3 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | 169.8 | -86.8 | -66.6 | 0 | 0 | 0 | 114.7 | I463 I465 A486 Y489 F490 F494 | I463-F467 HydrophobicContact CG2-CD2 3.97Å; I463-F467 HydrophobicContact CG2-CE2 3.79Å; I463-F467 VanDerWaalsContact O-CD2 3.28Å; I463-F467 WeakPolarHBondContact O-CD2 3.37Å; I463-F467 PolarHBondContact O-N 3.27Å; I465-F467 VanDerWaalsContact C-N 3.29Å; I465-F467 PolarHBondContact O-N 2.94Å; F467-A486 HydrophobicContact CD1-CB 3.96Å; F467-A486 HydrophobicContact CE1-CB 4.14Å; F467-Y489 AromaticContact CD1-CD1 3.8Å; F467-Y489 HydrophobicContact CD1-CD1 3.8Å; F467-Y489 HydrophobicContact CD1-CE1 4.49Å; F467-Y489 HydrophobicContact CD2-CD1 4.05Å; F467-Y489 AromaticContact CD2-CE1 3.92Å; F467-Y489 HydrophobicContact CD2-CE1 3.92Å; F467-Y489 AromaticContact CE1-CD1 3.66Å; F467-Y489 HydrophobicContact CE1-CD1 3.66Å; F467-Y489 HydrophobicContact CE1-CE1 4.37Å; F467-Y489 AromaticContact CE2-CD1 3.92Å; F467-Y489 HydrophobicContact CE2-CD1 3.92Å; F467-Y489 AromaticContact CE2-CE1 3.79Å; F467-Y489 HydrophobicContact CE2-CE1 3.79Å; F467-Y489 AromaticContact CG-CD1 3.97Å; F467-Y489 HydrophobicContact CG-CD1 3.97Å; F467-Y489 HydrophobicContact CG-CE1 4.27Å; F467-Y489 AromaticContact CZ-CD1 3.72Å; F467-Y489 HydrophobicContact CZ-CD1 3.72Å; F467-Y489 HydrophobicContact CZ-CE1 4.02Å; F467-F490 AromaticContact CE1-CD2 3.91Å; F467-F490 HydrophobicContact CE1-CD2 3.91Å; F467-F490 HydrophobicContact CE1-CE1 4.46Å; F467-F490 AromaticContact CE1-CE2 3.54Å; F467-F490 HydrophobicContact CE1-CE2 3.54Å; F467-F490 HydrophobicContact CE1-CG 4.5Å; F467-F490 AromaticContact CE1-CZ 3.85Å; F467-F490 HydrophobicContact CE1-CZ 3.85Å; F467-F490 HydrophobicContact CZ-CD2 4.38Å; F467-F490 AromaticContact CZ-CE1 3.99Å; F467-F490 HydrophobicContact CZ-CE1 3.99Å; F467-F490 AromaticContact CZ-CE2 3.84Å; F467-F490 HydrophobicContact CZ-CE2 3.84Å; F467-F490 AromaticContact CZ-CZ 3.62Å; F467-F490 HydrophobicContact CZ-CZ 3.62Å; F467-F494 AromaticContact CE2-CD2 3.67Å; F467-F494 HydrophobicContact CE2-CD2 3.67Å; F467-F494 AromaticContact CE2-CE2 3.68Å; F467-F494 HydrophobicContact CE2-CE2 3.68Å; F467-F494 AromaticContact CZ-CD2 3.53Å; F467-F494 HydrophobicContact CZ-CD2 3.53Å; F467-F494 AromaticContact CZ-CE2 3.75Å; F467-F494 HydrophobicContact CZ-CE2 3.75Å; F467-F494 HydrophobicContact CZ-CG 4.26Å |
| 468 | R | 90.9 | Very high | 87.9 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 38% | 0.381 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -3.1 | 180 | -65.1 | -53.2 | -166 | 123.4 | -8.9 | 113.9 | F395 T396 I397 I465 N466 | F395-R468 WeakPolarHBondContact O-CD 3.12Å; F395-R468 PolarHBondContact O-NH1 3.07Å; T396-R468 CarbonylContact C-O 3.59Å; T396-R468 VanDerWaalsContact CA-O 3.31Å; T396-R468 WeakPolarHBondContact CA-O 3.37Å; T396-R468 WeakPolarHBondContact CB-O 3.42Å; I397-R468 PolarHBondContact N-O 3.4Å; I465-R468 CarbonylContact O-C 3.59Å; I465-R468 WeakPolarHBondContact O-CA 3.39Å; I465-R468 PolarHBondContact O-N 3.15Å; N466-R468 PolarHBondContact O-N 3.47Å |
| 469 | T | 91.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -84.6 | 133 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | I397 K404 I465 N466 I485 | I397-T469 HydrophobicContact CB-CG2 4.01Å; I397-T469 HydrophobicContact CG2-CG2 4.08Å; I397-T469 CarbonylContact O-C 3.57Å; I397-T469 VanDerWaalsContact O-CA 3.23Å; I397-T469 WeakPolarHBondContact O-CA 3.5Å; K404-T469 HydrophobicContact CD-CG2 3.84Å; K404-T469 HydrophobicContact CG-CG2 4.43Å; I465-T469 HydrophobicContact CG2-CG2 3.84Å; I465-T469 WeakPolarHBondContact O-CG2 3.39Å; I465-T469 PolarHBondContact O-N 2.87Å; N466-T469 WeakPolarHBondContact CA-OG1 3.4Å; N466-T469 PolarHBondContact O-N 2.83Å; N466-T469 PolarHBondContact O-OG1 3.48Å; N466-T469 VanDerWaalsContact O-OG1 3.06Å; T469-I485 VanDerWaalsContact O-CG2 3.31Å; T469-I485 WeakPolarHBondContact O-CG2 3.17Å |
| 470 | T | 91.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | trans | -64.9 | 153.7 | 174.2 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | I397 L398 H399 V479 | I397-T470 PolarHBondContact O-N 3.49Å; L398-T470 HydrophobicContact CD1-CG2 3.96Å; H399-T470 WeakPolarHBondContact CB-O 3.42Å; H399-T470 PolarHBondContact N-OG1 2.72Å; H399-T470 PolarHBondContact ND1-O 2.73Å; H399-T470 PolarHBondContact ND1-OG1 2.96Å; T470-V479 WeakPolarHBondContact CA-O 3.41Å; T470-V479 VanDerWaalsContact CB-O 3.28Å; T470-V479 WeakPolarHBondContact CB-O 3.32Å | ||
| 471 | Y | 87.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 157.9 | 172.6 | 72.4 | -84 | 0 | 0 | 0 | 110.7 | N473 V479 I485 H488 | Y471-N473 HydrophobicContact CE2-CB 4.41Å; Y471-V479 HydrophobicContact CD1-CB 4.17Å; Y471-V479 HydrophobicContact CE1-CB 3.71Å; Y471-V479 HydrophobicContact CE1-CG1 3.8Å; Y471-V479 HydrophobicContact CE1-CG2 4.29Å; Y471-V479 HydrophobicContact CE2-CB 4.39Å; Y471-V479 HydrophobicContact CE2-CG2 4.16Å; Y471-V479 PolarHBondContact O-N 2.72Å; Y471-I485 HydrophobicContact CD1-CG1 4.01Å; Y471-I485 HydrophobicContact CE1-CG1 4.16Å; Y471-H488 HydrophobicContact CE1-CB 3.99Å; Y471-H488 AromaticContact CE2-ND1 3.97Å; Y471-H488 AromaticContact CZ-CG 3.96Å |
| 472 | V | 87.1 | Confident | 86.6 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.1 | 173 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | H399 V478 | H399-V472 VanDerWaalsContact CE1-CG2 3.44Å; H399-V472 WeakPolarHBondContact CE1-CG2 3.12Å; H399-V472 WeakPolarHBondContact NE2-CG2 3.34Å; V472-V478 HydrophobicContact CG2-CG2 4.49Å |
| 473 | N | 83.6 | Confident | 86.4 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -82.3 | 168.7 | 174.5 | -168.5 | 24.1 | 0 | 0 | 0 | 111 | Y471 N475 E476 E477 V479 | Y471-N473 HydrophobicContact CE2-CB 4.41Å; N473-N475 PolarHBondContact O-N 2.8Å; N473-E476 WeakPolarHBondContact O-CA 3.36Å; N473-E476 PolarHBondContact O-N 2.67Å; N473-E477 WeakPolarHBondContact CB-O 3.13Å; N473-E477 PolarHBondContact N-O 3.23Å; N473-V479 HydrophobicContact CB-CG2 4.24Å | ||
| 474 | H | 80.9 | Confident | 86.2 | Confident | 182 Ų | 182 | 69.6 Ų | 69.6 | 84% | 0.843 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.1 | 175.5 | -61.4 | 80.5 | 0 | 0 | 0 | 113.5 | E476 | H474-E476 PolarHBondContact O-N 3.22Š|
| 475 | N | 78.6 | Confident | 86.1 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 10 | 174.2 | -55 | 2.6 | 0 | 0 | 0 | 113 | N473 E477 | N473-N475 PolarHBondContact O-N 2.8Å; N475-E477 HydrophobicContact CB-CB 4.43Å; N475-E477 HydrophobicContact CB-CG 4.11Å; N475-E477 PolarHBondContact O-N 2.84Å |
| 476 | E | 72.6 | Confident | 86.1 | Confident | 168 Ų | 168 | 64.6 Ų | 64.6 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 59.6 | -9.1 | -169.3 | -56 | -172.4 | 164.6 | 0 | 0 | 115.9 | N473 H474 V478 | N473-E476 WeakPolarHBondContact O-CA 3.36Å; N473-E476 PolarHBondContact O-N 2.67Å; H474-E476 PolarHBondContact O-N 3.22Å; E476-V478 PolarHBondContact O-N 3.46Å |
| 477 | E | 77.8 | Confident | 86.1 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -56.3 | 122.7 | 170.9 | -67 | 171.4 | 168.9 | 0 | 0 | 111.5 | R14 N473 N475 | R14-E477 IonicContact CZ-OE1 3.28Å; R14-E477 IonicContact NH1-OE1 3.15Å; R14-E477 PolarHBondContact NH1-OE1 3.23Å; R14-E477 IonicContact NH2-OE1 3.88Å; R14-E477 PolarHBondContact NH2-OE1 2.9Å; N473-E477 WeakPolarHBondContact CB-O 3.13Å; N473-E477 PolarHBondContact N-O 3.23Å; N475-E477 HydrophobicContact CB-CB 4.43Å; N475-E477 HydrophobicContact CB-CG 4.11Å; N475-E477 PolarHBondContact O-N 2.84Å | ||
| 478 | V | 83.2 | Confident | 86 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.9 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | V472 E476 | V472-V478 HydrophobicContact CG2-CG2 4.49Å; E476-V478 PolarHBondContact O-N 3.46Å |
| 479 | V | 85.9 | Confident | 86 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | T470 Y471 N473 K484 | T470-V479 WeakPolarHBondContact CA-O 3.41Å; T470-V479 VanDerWaalsContact CB-O 3.28Å; T470-V479 WeakPolarHBondContact CB-O 3.32Å; Y471-V479 HydrophobicContact CD1-CB 4.17Å; Y471-V479 HydrophobicContact CE1-CB 3.71Å; Y471-V479 HydrophobicContact CE1-CG1 3.8Å; Y471-V479 HydrophobicContact CE1-CG2 4.29Å; Y471-V479 HydrophobicContact CE2-CB 4.39Å; Y471-V479 HydrophobicContact CE2-CG2 4.16Å; Y471-V479 PolarHBondContact O-N 2.72Å; N473-V479 HydrophobicContact CB-CG2 4.24Å; V479-K484 HydrophobicContact CG1-CB 3.73Å; V479-K484 HydrophobicContact CG1-CD 3.97Å; V479-K484 HydrophobicContact CG1-CG 4.49Å |
| 480 | S | 83.8 | Confident | 86 | Confident | 29 Ų | 29 | 73 Ų | 73 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | trans | -94.3 | -30.9 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | I485 | S480-I485 VanDerWaalsContact O-CD1 3.23Å; S480-I485 WeakPolarHBondContact O-CD1 3.46Å | ||
| 481 | H | 85.3 | Confident | 86 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | trans | -67.9 | 128.2 | -169 | -66.5 | -45.5 | 0 | 0 | 0 | 113.5 | D393 A483 K484 I485 | D393-H481 IonicContact OD2-CE1 2.69Å; D393-H481 IonicContact OD2-CG 3.45Å; D393-H481 IonicContact OD2-ND1 3.24Å; D393-H481 PolarHBondContact OD2-ND1 3.15Å; H481-A483 VanDerWaalsContact C-N 3.32Å; H481-A483 PolarHBondContact O-N 3.4Å; H481-K484 HydrophobicContact CB-CD 4.44Å; H481-K484 HydrophobicContact CB-CG 4.4Å; H481-K484 PolarHBondContact O-N 3.41Å; H481-K484 VanDerWaalsContact O-N 3.07Å; H481-I485 WeakPolarHBondContact O-CG1 3.5Å; H481-I485 PolarHBondContact O-N 3.46Å; H481-I485 VanDerWaalsContact O-N 3.11Å | ||
| 482 | P | 87.4 | Confident | 85.9 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -32.3 | -171.9 | 23.7 | -34 | 0 | 0 | 0 | 113.8 | D393 A486 | D393-P482 WeakPolarHBondContact OD2-CD 3.42Å; P482-A486 VanDerWaalsContact O-CB 3.3Å; P482-A486 WeakPolarHBondContact O-CB 3.37Å; P482-A486 PolarHBondContact O-N 3.01Å |
| 483 | A | 88.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H481 I487 | H481-A483 VanDerWaalsContact C-N 3.32Å; H481-A483 PolarHBondContact O-N 3.4Å; A483-I487 WeakPolarHBondContact O-CD1 3.37Å; A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.43Å; A483-I487 PolarHBondContact O-N 3.19Å; A483-I487 VanDerWaalsContact O-N 3.1Å |
| 484 | K | 88.4 | Confident | 86.2 | Confident | 121 Ų | 121 | 83.2 Ų | 83.2 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | 177.3 | -65.2 | -176.9 | 179.4 | 179.6 | 0 | 110.9 | V479 H481 I487 H488 | V479-K484 HydrophobicContact CG1-CB 3.73Å; V479-K484 HydrophobicContact CG1-CD 3.97Å; V479-K484 HydrophobicContact CG1-CG 4.49Å; H481-K484 HydrophobicContact CB-CD 4.44Å; H481-K484 HydrophobicContact CB-CG 4.4Å; H481-K484 PolarHBondContact O-N 3.41Å; H481-K484 VanDerWaalsContact O-N 3.07Å; K484-I487 PolarHBondContact O-N 3.18Å; K484-H488 WeakPolarHBondContact O-CB 3.39Å; K484-H488 PolarHBondContact O-N 3.3Å |
| 485 | I | 91 | Very high | 86.7 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 173.4 | -64.4 | 165.3 | 0 | 0 | 0 | 110.6 | T469 Y471 S480 H481 H488 Y489 | T469-I485 VanDerWaalsContact O-CG2 3.31Å; T469-I485 WeakPolarHBondContact O-CG2 3.17Å; Y471-I485 HydrophobicContact CD1-CG1 4.01Å; Y471-I485 HydrophobicContact CE1-CG1 4.16Å; S480-I485 VanDerWaalsContact O-CD1 3.23Å; S480-I485 WeakPolarHBondContact O-CD1 3.46Å; H481-I485 WeakPolarHBondContact O-CG1 3.5Å; H481-I485 PolarHBondContact O-N 3.46Å; H481-I485 VanDerWaalsContact O-N 3.11Å; I485-H488 PolarHBondContact O-N 2.68Å; I485-Y489 WeakPolarHBondContact O-CB 3.31Å; I485-Y489 PolarHBondContact O-N 2.94Å |
| 486 | A | 90.6 | Very high | 87.2 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F467 P482 H488 Y489 F490 | F467-A486 HydrophobicContact CD1-CB 3.96Å; F467-A486 HydrophobicContact CE1-CB 4.14Å; P482-A486 VanDerWaalsContact O-CB 3.3Å; P482-A486 WeakPolarHBondContact O-CB 3.37Å; P482-A486 PolarHBondContact O-N 3.01Å; A486-H488 VanDerWaalsContact C-N 3.32Å; A486-H488 PolarHBondContact O-N 3.01Å; A486-Y489 PolarHBondContact O-N 2.9Å; A486-F490 HydrophobicContact CB-CD2 4.41Å; A486-F490 WeakPolarHBondContact O-CB 3.47Å; A486-F490 WeakPolarHBondContact O-CD2 3.48Å; A486-F490 PolarHBondContact O-N 3.22Å |
| 487 | I | 90.9 | Very high | 88 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 177.8 | -69.1 | 164.8 | 0 | 0 | 0 | 111.1 | A483 K484 K491 | A483-I487 WeakPolarHBondContact O-CD1 3.37Å; A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.43Å; A483-I487 PolarHBondContact O-N 3.19Å; A483-I487 VanDerWaalsContact O-N 3.1Å; K484-I487 PolarHBondContact O-N 3.18Å; I487-K491 WeakPolarHBondContact O-CB 3.39Å; I487-K491 PolarHBondContact O-N 2.85Å |
| 488 | H | 89.6 | Confident | 88.6 | Confident | 98 Ų | 98 | 70 Ų | 70 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 177 | -178.3 | 83.6 | 0 | 0 | 0 | 111.9 | Y471 K484 I485 A486 K491 G492 | Y471-H488 HydrophobicContact CE1-CB 3.99Å; Y471-H488 AromaticContact CE2-ND1 3.97Å; Y471-H488 AromaticContact CZ-CG 3.96Å; K484-H488 WeakPolarHBondContact O-CB 3.39Å; K484-H488 PolarHBondContact O-N 3.3Å; I485-H488 PolarHBondContact O-N 2.68Å; A486-H488 VanDerWaalsContact C-N 3.32Å; A486-H488 PolarHBondContact O-N 3.01Å; H488-K491 PolarHBondContact O-N 3.11Å; H488-G492 PolarHBondContact O-N 3.4Å |
| 489 | Y | 91.4 | Very high | 88.8 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 179.5 | -174.6 | -137.7 | 0 | 0 | 0 | 112.9 | I463 N466 F467 I485 A486 G492 W493 F494 D497 | I463-Y489 HydrophobicContact CG2-CE1 4.26Å; N466-Y489 HydrophobicContact CB-CE1 4.06Å; N466-Y489 HydrophobicContact CB-CE2 4.4Å; F467-Y489 AromaticContact CD1-CD1 3.8Å; F467-Y489 HydrophobicContact CD1-CD1 3.8Å; F467-Y489 HydrophobicContact CD1-CE1 4.49Å; F467-Y489 HydrophobicContact CD2-CD1 4.05Å; F467-Y489 AromaticContact CD2-CE1 3.92Å; F467-Y489 HydrophobicContact CD2-CE1 3.92Å; F467-Y489 AromaticContact CE1-CD1 3.66Å; F467-Y489 HydrophobicContact CE1-CD1 3.66Å; F467-Y489 HydrophobicContact CE1-CE1 4.37Å; F467-Y489 AromaticContact CE2-CD1 3.92Å; F467-Y489 HydrophobicContact CE2-CD1 3.92Å; F467-Y489 AromaticContact CE2-CE1 3.79Å; F467-Y489 HydrophobicContact CE2-CE1 3.79Å; F467-Y489 AromaticContact CG-CD1 3.97Å; F467-Y489 HydrophobicContact CG-CD1 3.97Å; F467-Y489 HydrophobicContact CG-CE1 4.27Å; F467-Y489 AromaticContact CZ-CD1 3.72Å; F467-Y489 HydrophobicContact CZ-CD1 3.72Å; F467-Y489 HydrophobicContact CZ-CE1 4.02Å; I485-Y489 WeakPolarHBondContact O-CB 3.31Å; I485-Y489 PolarHBondContact O-N 2.94Å; A486-Y489 PolarHBondContact O-N 2.9Å; Y489-G492 CarbonylContact O-C 3.23Å; Y489-G492 PolarHBondContact O-N 2.95Å; Y489-W493 HydrophobicContact CD2-CB 4.27Å; Y489-W493 HydrophobicContact CE2-CB 4.04Å; Y489-W493 PolarHBondContact O-N 3.19Å; Y489-F494 HydrophobicContact CD1-CB 4.19Å; Y489-F494 HydrophobicContact CD1-CD2 4.35Å; Y489-F494 HydrophobicContact CD2-CB 4.39Å; Y489-F494 HydrophobicContact CE1-CB 4.2Å; Y489-F494 AromaticContact CE1-CD2 3.92Å; Y489-F494 HydrophobicContact CE1-CD2 3.92Å; Y489-F494 HydrophobicContact CE2-CB 4.38Å; Y489-F494 HydrophobicContact CG-CB 4.29Å; Y489-F494 VanDerWaalsContact O-CB 3.3Å; Y489-F494 WeakPolarHBondContact O-CB 3.13Å; Y489-F494 PolarHBondContact O-N 2.87Å; Y489-F494 VanDerWaalsContact O-N 3.08Å; Y489-D497 WeakPolarHBondContact CE2-OD2 3.39Å; Y489-D497 WeakPolarHBondContact OH-CB 3.38Å; Y489-D497 PolarHBondContact OH-OD2 3.46Å |
| 490 | F | 91.4 | Very high | 88.9 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 174.2 | -86.7 | -61.1 | 0 | 0 | 0 | 113 | F467 A486 G492 F494 | F467-F490 AromaticContact CE1-CD2 3.91Å; F467-F490 HydrophobicContact CE1-CD2 3.91Å; F467-F490 HydrophobicContact CE1-CE1 4.46Å; F467-F490 AromaticContact CE1-CE2 3.54Å; F467-F490 HydrophobicContact CE1-CE2 3.54Å; F467-F490 HydrophobicContact CE1-CG 4.5Å; F467-F490 AromaticContact CE1-CZ 3.85Å; F467-F490 HydrophobicContact CE1-CZ 3.85Å; F467-F490 HydrophobicContact CZ-CD2 4.38Å; F467-F490 AromaticContact CZ-CE1 3.99Å; F467-F490 HydrophobicContact CZ-CE1 3.99Å; F467-F490 AromaticContact CZ-CE2 3.84Å; F467-F490 HydrophobicContact CZ-CE2 3.84Å; F467-F490 AromaticContact CZ-CZ 3.62Å; F467-F490 HydrophobicContact CZ-CZ 3.62Å; A486-F490 HydrophobicContact CB-CD2 4.41Å; A486-F490 WeakPolarHBondContact O-CB 3.47Å; A486-F490 WeakPolarHBondContact O-CD2 3.48Å; A486-F490 PolarHBondContact O-N 3.22Å; F490-G492 VanDerWaalsContact C-N 3.28Å; F490-G492 PolarHBondContact O-N 2.93Å; F490-F494 HydrophobicContact CD1-CB 4.29Å; F490-F494 AromaticContact CD1-CD1 3.47Å; F490-F494 HydrophobicContact CD1-CD1 3.47Å; F490-F494 VanDerWaalsContact CD1-CD1 3.47Å; F490-F494 AromaticContact CD1-CE1 3.93Å; F490-F494 HydrophobicContact CD1-CE1 3.93Å; F490-F494 AromaticContact CD1-CG 3.83Å; F490-F494 HydrophobicContact CD1-CG 3.83Å; F490-F494 AromaticContact CE1-CD1 3.59Å; F490-F494 HydrophobicContact CE1-CD1 3.59Å; F490-F494 HydrophobicContact CE1-CD2 4.35Å; F490-F494 AromaticContact CE1-CE1 3.55Å; F490-F494 HydrophobicContact CE1-CE1 3.55Å; F490-F494 HydrophobicContact CE1-CE2 4.32Å; F490-F494 HydrophobicContact CE1-CG 4Å; F490-F494 AromaticContact CE1-CZ 3.94Å; F490-F494 HydrophobicContact CE1-CZ 3.94Å |
| 491 | K | 89.5 | Confident | 89.1 | Confident | 195 Ų | 195 | 67.1 Ų | 67.1 | 85% | 0.848 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.5 | -23.6 | 179.1 | -173.3 | 173.7 | 178.7 | -177.3 | 0 | 113.1 | I487 H488 | I487-K491 WeakPolarHBondContact O-CB 3.39Å; I487-K491 PolarHBondContact O-N 2.85Å; H488-K491 PolarHBondContact O-N 3.11Å |
| 492 | G | 86.1 | Confident | 89.1 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -101.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H488 Y489 F490 F494 | H488-G492 PolarHBondContact O-N 3.4Å; Y489-G492 CarbonylContact O-C 3.23Å; Y489-G492 PolarHBondContact O-N 2.95Å; F490-G492 VanDerWaalsContact C-N 3.28Å; F490-G492 PolarHBondContact O-N 2.93Å; G492-F494 PolarHBondContact O-N 2.74Å |
| 493 | W | 87.1 | Confident | 88.9 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13.3 | -157.7 | -60 | 109.3 | 0 | 0 | 0 | 115.9 | Y489 L495 I496 D497 V532 R536 | Y489-W493 HydrophobicContact CD2-CB 4.27Å; Y489-W493 HydrophobicContact CE2-CB 4.04Å; Y489-W493 PolarHBondContact O-N 3.19Å; W493-L495 VanDerWaalsContact C-N 3.3Å; W493-L495 PolarHBondContact O-N 3.01Å; W493-I496 HydrophobicContact CE3-CD1 4Å; W493-I496 HydrophobicContact CZ3-CD1 4.07Å; W493-I496 PolarHBondContact O-N 2.84Å; W493-D497 PolarHBondContact O-N 2.84Å; W493-V532 HydrophobicContact CE3-CG1 4.32Å; W493-V532 HydrophobicContact CZ3-CG1 3.74Å; W493-R536 HydrophobicContact CD2-CG 4.23Å; W493-R536 VanDerWaalsContact CE3-CD 3.47Å; W493-R536 HydrophobicContact CE3-CG 4.39Å; W493-R536 HydrophobicContact CH2-CG 3.99Å; W493-R536 HydrophobicContact CZ2-CG 3.83Å; W493-R536 HydrophobicContact CZ3-CG 4.28Å |
| 494 | F | 90.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 63 Ų | 63 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.7 | -41.8 | -176.2 | 171.4 | -100.2 | 0 | 0 | 0 | 113.3 | I463 F467 Y489 F490 G492 I496 D497 M498 | I463-F494 HydrophobicContact CG2-CD2 4.34Å; I463-F494 HydrophobicContact CG2-CE2 4.16Å; F467-F494 AromaticContact CE2-CD2 3.67Å; F467-F494 HydrophobicContact CE2-CD2 3.67Å; F467-F494 AromaticContact CE2-CE2 3.68Å; F467-F494 HydrophobicContact CE2-CE2 3.68Å; F467-F494 AromaticContact CZ-CD2 3.53Å; F467-F494 HydrophobicContact CZ-CD2 3.53Å; F467-F494 AromaticContact CZ-CE2 3.75Å; F467-F494 HydrophobicContact CZ-CE2 3.75Å; F467-F494 HydrophobicContact CZ-CG 4.26Å; Y489-F494 HydrophobicContact CD1-CB 4.19Å; Y489-F494 HydrophobicContact CD1-CD2 4.35Å; Y489-F494 HydrophobicContact CD2-CB 4.39Å; Y489-F494 HydrophobicContact CE1-CB 4.2Å; Y489-F494 AromaticContact CE1-CD2 3.92Å; Y489-F494 HydrophobicContact CE1-CD2 3.92Å; Y489-F494 HydrophobicContact CE2-CB 4.38Å; Y489-F494 HydrophobicContact CG-CB 4.29Å; Y489-F494 VanDerWaalsContact O-CB 3.3Å; Y489-F494 WeakPolarHBondContact O-CB 3.13Å; Y489-F494 PolarHBondContact O-N 2.87Å; Y489-F494 VanDerWaalsContact O-N 3.08Å; F490-F494 HydrophobicContact CD1-CB 4.29Å; F490-F494 AromaticContact CD1-CD1 3.47Å; F490-F494 HydrophobicContact CD1-CD1 3.47Å; F490-F494 VanDerWaalsContact CD1-CD1 3.47Å; F490-F494 AromaticContact CD1-CE1 3.93Å; F490-F494 HydrophobicContact CD1-CE1 3.93Å; F490-F494 AromaticContact CD1-CG 3.83Å; F490-F494 HydrophobicContact CD1-CG 3.83Å; F490-F494 AromaticContact CE1-CD1 3.59Å; F490-F494 HydrophobicContact CE1-CD1 3.59Å; F490-F494 HydrophobicContact CE1-CD2 4.35Å; F490-F494 AromaticContact CE1-CE1 3.55Å; F490-F494 HydrophobicContact CE1-CE1 3.55Å; F490-F494 HydrophobicContact CE1-CE2 4.32Å; F490-F494 HydrophobicContact CE1-CG 4Å; F490-F494 AromaticContact CE1-CZ 3.94Å; F490-F494 HydrophobicContact CE1-CZ 3.94Å; G492-F494 PolarHBondContact O-N 2.74Å; F494-I496 PolarHBondContact O-N 2.79Å; F494-D497 PolarHBondContact O-N 3.05Å; F494-M498 HydrophobicContact CE1-CB 4.27Å; F494-M498 HydrophobicContact CE1-CE 4.47Å; F494-M498 HydrophobicContact CE1-SD 3.68Å; F494-M498 HydrophobicContact CE2-CB 4.28Å; F494-M498 HydrophobicContact CZ-CB 4.04Å; F494-M498 HydrophobicContact CZ-CG 4.14Å; F494-M498 HydrophobicContact CZ-SD 3.62Å; F494-M498 VanDerWaalsContact O-CB 3.23Å; F494-M498 WeakPolarHBondContact O-CB 3.33Å; F494-M498 PolarHBondContact O-N 3.03Å |
| 495 | L | 89.9 | Confident | 87.5 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | -176.6 | -175.6 | 66.6 | 0 | 0 | 0 | 112.1 | W493 M498 V499 | W493-L495 VanDerWaalsContact C-N 3.3Å; W493-L495 PolarHBondContact O-N 3.01Å; L495-M498 HydrophobicContact CD1-CE 4.02Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.05Å; L495-V499 VanDerWaalsContact O-N 3.15Å |
| 496 | I | 89.4 | Confident | 86.5 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 177.8 | -62.8 | 170.8 | 0 | 0 | 0 | 109.8 | W493 F494 M498 V499 A500 L529 V532 | W493-I496 HydrophobicContact CE3-CD1 4Å; W493-I496 HydrophobicContact CZ3-CD1 4.07Å; W493-I496 PolarHBondContact O-N 2.84Å; F494-I496 PolarHBondContact O-N 2.79Å; I496-M498 VanDerWaalsContact C-N 3.31Å; I496-M498 PolarHBondContact O-N 3.27Å; I496-V499 PolarHBondContact O-N 2.84Å; I496-A500 WeakPolarHBondContact O-CB 3.34Å; I496-A500 PolarHBondContact O-N 3.17Å; I496-L529 HydrophobicContact CG2-CB 4.45Å; I496-V532 HydrophobicContact CG2-CB 4.4Å |
| 497 | D | 90.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 179.9 | -79 | -17.7 | 0 | 0 | 0 | 112.6 | I463 Y489 W493 F494 A501 R533 R536 | I463-D497 HydrophobicContact CD1-CB 4.45Å; I463-D497 WeakPolarHBondContact CD1-O 3.41Å; I463-D497 HydrophobicContact CG1-CB 4.23Å; Y489-D497 WeakPolarHBondContact CE2-OD2 3.39Å; Y489-D497 WeakPolarHBondContact OH-CB 3.38Å; Y489-D497 PolarHBondContact OH-OD2 3.46Å; W493-D497 PolarHBondContact O-N 2.84Å; F494-D497 PolarHBondContact O-N 3.05Å; D497-A501 WeakPolarHBondContact O-CB 3.39Å; D497-A501 PolarHBondContact O-N 3.36Å; D497-R533 PolarHBondContact O-NH2 3.01Å; D497-R533 VanDerWaalsContact O-NH2 3.07Å; D497-R533 IonicContact OD1-CZ 3.85Å; D497-R533 IonicContact OD1-NE 2.68Å; D497-R533 PolarHBondContact OD1-NE 2.87Å; D497-R533 IonicContact OD1-NH2 3.29Å; D497-R533 IonicContact OD2-NE 3.35Å; D497-R536 IonicContact OD1-CZ 3.8Å; D497-R536 IonicContact OD1-NH2 2.84Å; D497-R536 PolarHBondContact OD1-NH2 2.99Å; D497-R536 IonicContact OD2-CZ 3.15Å; D497-R536 IonicContact OD2-NH1 2.81Å; D497-R536 IonicContact OD2-NH2 3.01Å; D497-R536 PolarHBondContact OD2-NH2 3.38Å |
| 498 | M | 89.3 | Confident | 84.1 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 38% | 0.384 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -52.4 | 176.4 | -179 | -176.4 | 72.1 | 0 | 0 | 111.7 | F494 L495 I496 A500 A501 | F494-M498 HydrophobicContact CE1-CB 4.27Å; F494-M498 HydrophobicContact CE1-CE 4.47Å; F494-M498 HydrophobicContact CE1-SD 3.68Å; F494-M498 HydrophobicContact CE2-CB 4.28Å; F494-M498 HydrophobicContact CZ-CB 4.04Å; F494-M498 HydrophobicContact CZ-CG 4.14Å; F494-M498 HydrophobicContact CZ-SD 3.62Å; F494-M498 VanDerWaalsContact O-CB 3.23Å; F494-M498 WeakPolarHBondContact O-CB 3.33Å; F494-M498 PolarHBondContact O-N 3.03Å; L495-M498 HydrophobicContact CD1-CE 4.02Å; I496-M498 VanDerWaalsContact C-N 3.31Å; I496-M498 PolarHBondContact O-N 3.27Å; M498-A500 VanDerWaalsContact C-N 3.25Å; M498-A500 PolarHBondContact O-N 2.84Å; M498-A501 PolarHBondContact O-N 2.96Å |
| 499 | V | 89.1 | Confident | 82.7 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L495 I496 A501 I502 L529 | L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.05Å; L495-V499 VanDerWaalsContact O-N 3.15Å; I496-V499 PolarHBondContact O-N 2.84Å; V499-A501 PolarHBondContact O-N 3.32Å; V499-I502 PolarHBondContact O-N 2.65Å; V499-L529 HydrophobicContact CG1-CD1 3.96Å |
| 500 | A | 87.3 | Confident | 81 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I496 M498 L529 R530 | I496-A500 WeakPolarHBondContact O-CB 3.34Å; I496-A500 PolarHBondContact O-N 3.17Å; M498-A500 VanDerWaalsContact C-N 3.25Å; M498-A500 PolarHBondContact O-N 2.84Å; A500-L529 HydrophobicContact CB-CB 4.01Å; A500-R530 HydrophobicContact CB-CG 3.95Å; A500-R530 VanDerWaalsContact O-CZ 3.23Å; A500-R530 PolarHBondContact O-NE 2.7Å; A500-R530 PolarHBondContact O-NH2 2.82Å |
| 501 | A | 87.4 | Confident | 79.4 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I460 I463 D497 M498 V499 P503 | I460-A501 HydrophobicContact CG1-CB 4.14Å; I463-A501 HydrophobicContact CD1-CB 3.65Å; D497-A501 WeakPolarHBondContact O-CB 3.39Å; D497-A501 PolarHBondContact O-N 3.36Å; M498-A501 PolarHBondContact O-N 2.96Å; V499-A501 PolarHBondContact O-N 3.32Å; A501-P503 WeakPolarHBondContact O-CD 3.46Å |
| 502 | I | 86 | Confident | 77.8 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 32% | 0.323 | 35% | 0.348 | S | S | . | . | trans | -75 | 122.8 | 180 | -61 | 173.7 | 0 | 0 | 0 | 110.5 | V499 F504 | V499-I502 PolarHBondContact O-N 2.65Å; I502-F504 HydrophobicContact CB-CD2 4.32Å; I502-F504 HydrophobicContact CB-CE1 4.31Å; I502-F504 HydrophobicContact CB-CE2 3.78Å; I502-F504 HydrophobicContact CB-CZ 3.77Å; I502-F504 HydrophobicContact CD1-CZ 4.21Å; I502-F504 HydrophobicContact CG2-CD1 3.99Å; I502-F504 HydrophobicContact CG2-CD2 4.22Å; I502-F504 HydrophobicContact CG2-CE1 3.75Å; I502-F504 HydrophobicContact CG2-CE2 3.99Å; I502-F504 HydrophobicContact CG2-CG 4.22Å; I502-F504 HydrophobicContact CG2-CZ 3.75Å; I502-F504 WeakPolarHBondContact O-CD2 3.34Å; I502-F504 PolarHBondContact O-N 2.81Å | ||
| 503 | P | 83.5 | Confident | 76.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | trans | -82.8 | 78.8 | 177.2 | 33.8 | -35.1 | 0 | 0 | 0 | 111 | D456 A501 D505 L506 | D456-P503 HydrophobicContact CB-CB 4.48Å; D456-P503 WeakPolarHBondContact OD2-CA 3.47Å; A501-P503 WeakPolarHBondContact O-CD 3.46Å; P503-D505 PolarHBondContact O-N 2.99Å; P503-L506 HydrophobicContact CB-CD1 4.27Å; P503-L506 HydrophobicContact CB-CG 4.45Å; P503-L506 HydrophobicContact CG-CD1 3.97Å; P503-L506 PolarHBondContact O-N 3.29Å | ||
| 504 | F | 76.1 | Confident | 75.2 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24.2 | -179.2 | -63.7 | -79.9 | 0 | 0 | 0 | 113.8 | I502 L506 L507 I508 L523 A526 | I502-F504 HydrophobicContact CB-CD2 4.32Å; I502-F504 HydrophobicContact CB-CE1 4.31Å; I502-F504 HydrophobicContact CB-CE2 3.78Å; I502-F504 HydrophobicContact CB-CZ 3.77Å; I502-F504 HydrophobicContact CD1-CZ 4.21Å; I502-F504 HydrophobicContact CG2-CD1 3.99Å; I502-F504 HydrophobicContact CG2-CD2 4.22Å; I502-F504 HydrophobicContact CG2-CE1 3.75Å; I502-F504 HydrophobicContact CG2-CE2 3.99Å; I502-F504 HydrophobicContact CG2-CG 4.22Å; I502-F504 HydrophobicContact CG2-CZ 3.75Å; I502-F504 WeakPolarHBondContact O-CD2 3.34Å; I502-F504 PolarHBondContact O-N 2.81Å; F504-L506 PolarHBondContact O-N 3.05Å; F504-L507 HydrophobicContact CD1-CD1 4.18Å; F504-L507 PolarHBondContact O-N 2.7Å; F504-I508 PolarHBondContact O-N 3.46Å; F504-L523 HydrophobicContact CD1-CB 4.22Å; F504-L523 HydrophobicContact CE1-CD2 4.11Å; F504-L523 HydrophobicContact CG-CB 4.45Å; F504-A526 HydrophobicContact CE2-CB 4Å; F504-A526 HydrophobicContact CZ-CB 4.43Å |
| 505 | D | 71.4 | Confident | 73.8 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -21.9 | 175.4 | -67.9 | -45.3 | 0 | 0 | 0 | 114.6 | Y443 P503 K524 R527 | Y443-D505 PolarHBondContact OH-O 3.25Å; P503-D505 PolarHBondContact O-N 2.99Å; D505-K524 WeakPolarHBondContact OD1-CE 3.38Å; D505-K524 IonicContact OD1-NZ 2.7Å; D505-K524 PolarHBondContact OD1-NZ 2.93Å; D505-R527 IonicContact OD2-CZ 2.92Å; D505-R527 VanDerWaalsContact OD2-CZ 3.24Å; D505-R527 IonicContact OD2-NH1 3.92Å; D505-R527 PolarHBondContact OD2-NH1 3.39Å; D505-R527 IonicContact OD2-NH2 2.63Å; D505-R527 PolarHBondContact OD2-NH2 3.26Å |
| 506 | L | 69.1 | Low | 72.5 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -82.9 | -23.1 | 174.5 | -64.3 | 177.9 | 0 | 0 | 0 | 112.7 | Y443 P503 F504 | Y443-L506 HydrophobicContact CE1-CD2 4.42Å; P503-L506 HydrophobicContact CB-CD1 4.27Å; P503-L506 HydrophobicContact CB-CG 4.45Å; P503-L506 HydrophobicContact CG-CD1 3.97Å; P503-L506 PolarHBondContact O-N 3.29Å; F504-L506 PolarHBondContact O-N 3.05Å |
| 507 | L | 68.5 | Low | 71.4 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 57% | 0.571 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79 | -30 | 179 | -62.6 | 174.2 | 0 | 0 | 0 | 111.9 | F504 F509 G510 | F504-L507 HydrophobicContact CD1-CD1 4.18Å; F504-L507 PolarHBondContact O-N 2.7Å; L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 2.82Å; L507-G510 PolarHBondContact O-N 2.92Å |
| 508 | I | 63.2 | Low | 70.4 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.205 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.4 | -60.5 | 172.4 | 0 | 0 | 0 | 110.8 | F504 G510 S511 I520 | F504-I508 PolarHBondContact O-N 3.46Å; I508-G510 PolarHBondContact O-N 3.36Å; I508-G510 VanDerWaalsContact O-N 3.08Å; I508-S511 PolarHBondContact O-N 3.4Å; I508-I520 HydrophobicContact CD1-CG2 3.98Å; I508-I520 HydrophobicContact CG1-CB 4.02Å; I508-I520 HydrophobicContact CG1-CG2 3.36Å |
| 509 | F | 58.7 | Low | 69.5 | Low | 131 Ų | 131 | 67.3 Ų | 67.3 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.7 | -173.8 | -140.7 | -88.1 | 0 | 0 | 0 | 114.2 | Y443 L507 | Y443-F509 HydrophobicContact CD2-CD2 4.44Å; Y443-F509 HydrophobicContact CD2-CE2 4.33Å; Y443-F509 HydrophobicContact CE2-CB 4.44Å; Y443-F509 AromaticContact CE2-CD2 3.52Å; Y443-F509 HydrophobicContact CE2-CD2 3.52Å; Y443-F509 AromaticContact CE2-CE2 3.83Å; Y443-F509 HydrophobicContact CE2-CE2 3.83Å; Y443-F509 AromaticContact CE2-CG 3.92Å; Y443-F509 HydrophobicContact CE2-CG 3.92Å; Y443-F509 HydrophobicContact CE2-CZ 4.46Å; Y443-F509 AromaticContact CZ-CD2 3.72Å; Y443-F509 WeakPolarHBondContact OH-CB 3.42Å; L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 2.82Å |
| 510 | G | 56.8 | Low | 68.5 | Low | 75 Ų | 75 | 66 Ų | 66 | 77% | 0.773 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L507 I508 | L507-G510 PolarHBondContact O-N 2.92Å; I508-G510 PolarHBondContact O-N 3.36Å; I508-G510 VanDerWaalsContact O-N 3.08Å |
| 511 | S | 57.2 | Low | 67.7 | Low | 40 Ų | 40 | 66 Ų | 66 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | trans | -116.2 | 84 | -174.6 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | I508 S513 T516 | I508-S511 PolarHBondContact O-N 3.4Å; S511-S513 PolarHBondContact O-N 3.1Å; S511-S513 PolarHBondContact OG-OG 3.3Å; S511-T516 PolarHBondContact OG-OG1 2.88Å | ||
| 512 | G | 56.2 | Low | 67.2 | Low | 94 Ų | 94 | 70.7 Ų | 70.7 | 97% | 0.969 | 42% | 0.418 | S | S | * | . | trans | -75.3 | 53.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 513 | S | 59.6 | Low | 66.8 | Low | 52 Ų | 52 | 71.3 Ų | 71.3 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -136.7 | 114.2 | 179.3 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | S511 E515 T516 | S511-S513 PolarHBondContact O-N 3.1Å; S511-S513 PolarHBondContact OG-OG 3.3Å; S513-E515 VanDerWaalsContact C-N 3.27Å; S513-E515 PolarHBondContact O-N 3.36Å; S513-E515 VanDerWaalsContact O-N 3.14Å; S513-T516 PolarHBondContact O-N 2.86Å; S513-T516 VanDerWaalsContact O-N 3.11Å; S513-T516 PolarHBondContact O-OG1 3.43Å; S513-T516 WeakPolarHBondContact OG-CG2 3.46Å; S513-T516 PolarHBondContact OG-OG1 2.82Å | ||
| 514 | D | 60.1 | Low | 66.7 | Low | 118 Ų | 118 | 70.9 Ų | 70.9 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -56 | -37 | -170.1 | -68.3 | -65.9 | 0 | 0 | 0 | 114.1 | T516 T517 | D514-T516 PolarHBondContact O-N 2.94Å; D514-T517 WeakPolarHBondContact O-CB 3.4Å; D514-T517 PolarHBondContact O-N 3.1Å; D514-T517 VanDerWaalsContact O-N 3.16Å; D514-T517 PolarHBondContact O-OG1 2.99Å |
| 515 | E | 59.6 | Low | 67.1 | Low | 173 Ų | 173 | 72.8 Ų | 72.8 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 179.4 | -62.3 | -174.6 | 157.9 | 0 | 0 | 112.7 | S513 T517 T518 | S513-E515 VanDerWaalsContact C-N 3.27Å; S513-E515 PolarHBondContact O-N 3.36Å; S513-E515 VanDerWaalsContact O-N 3.14Å; E515-T517 VanDerWaalsContact C-N 3.26Å; E515-T517 PolarHBondContact O-N 3.2Å; E515-T518 PolarHBondContact O-N 3.32Å; E515-T518 PolarHBondContact O-OG1 3.08Å |
| 516 | T | 63.9 | Low | 67.8 | Low | 48 Ų | 48 | 72.7 Ų | 72.7 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.7 | -24.3 | 180 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | S511 S513 D514 T518 L519 I520 | S511-T516 PolarHBondContact OG-OG1 2.88Å; S513-T516 PolarHBondContact O-N 2.86Å; S513-T516 VanDerWaalsContact O-N 3.11Å; S513-T516 PolarHBondContact O-OG1 3.43Å; S513-T516 WeakPolarHBondContact OG-CG2 3.46Å; S513-T516 PolarHBondContact OG-OG1 2.82Å; D514-T516 PolarHBondContact O-N 2.94Å; T516-T518 PolarHBondContact O-N 2.97Å; T516-L519 PolarHBondContact O-N 3.49Å; T516-I520 WeakPolarHBondContact O-CD1 3.49Å; T516-I520 VanDerWaalsContact O-CG1 3.22Å; T516-I520 WeakPolarHBondContact O-CG1 3.22Å; T516-I520 PolarHBondContact O-N 2.6Å |
| 517 | T | 65.8 | Low | 68.7 | Low | 32 Ų | 32 | 68.7 Ų | 68.7 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -31.6 | -179.5 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | D514 E515 G521 | D514-T517 WeakPolarHBondContact O-CB 3.4Å; D514-T517 PolarHBondContact O-N 3.1Å; D514-T517 VanDerWaalsContact O-N 3.16Å; D514-T517 PolarHBondContact O-OG1 2.99Å; E515-T517 VanDerWaalsContact C-N 3.26Å; E515-T517 PolarHBondContact O-N 3.2Å; T517-G521 PolarHBondContact O-N 2.85Å |
| 518 | T | 70.3 | Confident | 69.6 | Low | 94 Ų | 94 | 65.9 Ų | 65.9 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.9 | -48.7 | 177.8 | 65 | 0 | 0 | 0 | 0 | 111.6 | E515 T516 G521 L522 | E515-T518 PolarHBondContact O-N 3.32Å; E515-T518 PolarHBondContact O-OG1 3.08Å; T516-T518 PolarHBondContact O-N 2.97Å; T518-G521 WeakPolarHBondContact O-CA 3.32Å; T518-G521 PolarHBondContact O-N 3Å; T518-L522 PolarHBondContact O-N 3.16Å |
| 519 | L | 69 | Low | 70.9 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 178.6 | -176 | 63.4 | 0 | 0 | 0 | 111.9 | T516 G521 L522 L523 | T516-L519 PolarHBondContact O-N 3.49Å; L519-G521 VanDerWaalsContact C-N 3.33Å; L519-L522 PolarHBondContact O-N 2.89Å; L519-L523 PolarHBondContact O-N 3.5Å |
| 520 | I | 69.6 | Low | 72.3 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.2 | -28.9 | 175.7 | -52 | 159.9 | 0 | 0 | 0 | 110.9 | I508 T516 L522 L523 K524 | I508-I520 HydrophobicContact CD1-CG2 3.98Å; I508-I520 HydrophobicContact CG1-CB 4.02Å; I508-I520 HydrophobicContact CG1-CG2 3.36Å; T516-I520 WeakPolarHBondContact O-CD1 3.49Å; T516-I520 VanDerWaalsContact O-CG1 3.22Å; T516-I520 WeakPolarHBondContact O-CG1 3.22Å; T516-I520 PolarHBondContact O-N 2.6Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L523 WeakPolarHBondContact O-CB 3.46Å; I520-L523 PolarHBondContact O-N 3Å; I520-K524 PolarHBondContact O-N 2.75Å |
| 521 | G | 70.7 | Confident | 73.8 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T517 T518 L519 K524 | T517-G521 PolarHBondContact O-N 2.85Å; T518-G521 WeakPolarHBondContact O-CA 3.32Å; T518-G521 PolarHBondContact O-N 3Å; L519-G521 VanDerWaalsContact C-N 3.33Å; G521-K524 WeakPolarHBondContact O-CB 3.47Å; G521-K524 WeakPolarHBondContact O-CG 3.1Å; G521-K524 PolarHBondContact O-N 3.41Å |
| 522 | L | 75.4 | Confident | 75.2 | Confident | 104 Ų | 104 | 60 Ų | 60 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 173.8 | -68 | 172 | 0 | 0 | 0 | 112.7 | T518 L519 I520 K524 T525 | T518-L522 PolarHBondContact O-N 3.16Å; L519-L522 PolarHBondContact O-N 2.89Å; I520-L522 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 3.35Å; L522-K524 VanDerWaalsContact O-N 3.17Å; L522-T525 WeakPolarHBondContact O-CB 3.49Å; L522-T525 WeakPolarHBondContact O-CG2 3.23Å; L522-T525 PolarHBondContact O-N 3.39Å; L522-T525 PolarHBondContact O-OG1 2.86Å |
| 523 | L | 77.8 | Confident | 76.6 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -26 | 174.2 | -86.6 | 152.4 | 0 | 0 | 0 | 113.3 | F504 L519 I520 T525 A526 | F504-L523 HydrophobicContact CD1-CB 4.22Å; F504-L523 HydrophobicContact CE1-CD2 4.11Å; F504-L523 HydrophobicContact CG-CB 4.45Å; L519-L523 PolarHBondContact O-N 3.5Å; I520-L523 WeakPolarHBondContact O-CB 3.46Å; I520-L523 PolarHBondContact O-N 3Å; L523-T525 PolarHBondContact O-N 3.19Å; L523-T525 VanDerWaalsContact O-N 3.16Å; L523-A526 VanDerWaalsContact O-CB 3.29Å; L523-A526 WeakPolarHBondContact O-CB 3.47Å; L523-A526 PolarHBondContact O-N 3.25Å; L523-A526 VanDerWaalsContact O-N 3.1Å |
| 524 | K | 81.3 | Confident | 77.8 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.8 | 172 | -55.6 | -165.7 | -164.4 | -158.5 | 0 | 113 | T422 D505 I520 G521 L522 A526 R527 | T422-K524 VanDerWaalsContact CG2-O 3.3Å; T422-K524 WeakPolarHBondContact CG2-O 2.92Å; D505-K524 WeakPolarHBondContact OD1-CE 3.38Å; D505-K524 IonicContact OD1-NZ 2.7Å; D505-K524 PolarHBondContact OD1-NZ 2.93Å; I520-K524 PolarHBondContact O-N 2.75Å; G521-K524 WeakPolarHBondContact O-CB 3.47Å; G521-K524 WeakPolarHBondContact O-CG 3.1Å; G521-K524 PolarHBondContact O-N 3.41Å; L522-K524 PolarHBondContact O-N 3.35Å; L522-K524 VanDerWaalsContact O-N 3.17Å; K524-A526 PolarHBondContact O-N 2.95Å; K524-A526 VanDerWaalsContact O-N 3.12Å; K524-R527 VanDerWaalsContact O-CB 3.31Å; K524-R527 WeakPolarHBondContact O-CB 3.33Å; K524-R527 WeakPolarHBondContact O-CG 3.28Å; K524-R527 PolarHBondContact O-N 3.43Å |
| 525 | T | 84.8 | Confident | 78.8 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -61.9 | -18.9 | 178.4 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | A426 L522 L523 R527 L528 | A426-T525 HydrophobicContact CB-CG2 4.45Å; L522-T525 WeakPolarHBondContact O-CB 3.49Å; L522-T525 WeakPolarHBondContact O-CG2 3.23Å; L522-T525 PolarHBondContact O-N 3.39Å; L522-T525 PolarHBondContact O-OG1 2.86Å; L523-T525 PolarHBondContact O-N 3.19Å; L523-T525 VanDerWaalsContact O-N 3.16Å; T525-R527 PolarHBondContact O-N 3.36Å; T525-R527 VanDerWaalsContact O-N 3.12Å; T525-L528 VanDerWaalsContact O-CB 3.29Å; T525-L528 WeakPolarHBondContact O-CB 3.31Å; T525-L528 WeakPolarHBondContact O-CG 3.17Å; T525-L528 PolarHBondContact O-N 3.04Å |
| 526 | A | 86.1 | Confident | 79.7 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -58.2 | -21.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | F504 L523 K524 L528 L529 | F504-A526 HydrophobicContact CE2-CB 4Å; F504-A526 HydrophobicContact CZ-CB 4.43Å; L523-A526 VanDerWaalsContact O-CB 3.29Å; L523-A526 WeakPolarHBondContact O-CB 3.47Å; L523-A526 PolarHBondContact O-N 3.25Å; L523-A526 VanDerWaalsContact O-N 3.1Å; K524-A526 PolarHBondContact O-N 2.95Å; K524-A526 VanDerWaalsContact O-N 3.12Å; A526-L528 PolarHBondContact O-N 2.86Å; A526-L529 WeakPolarHBondContact O-CB 3.32Å; A526-L529 WeakPolarHBondContact O-CG 3.23Å; A526-L529 PolarHBondContact O-N 3.08Å; A526-L529 VanDerWaalsContact O-N 3.09Å |
| 527 | R | 88.1 | Confident | 80.4 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -58 | -24 | 169.6 | -68.9 | -176.1 | 166.7 | 137.4 | 10.1 | 112.6 | T422 D452 D456 D505 K524 T525 L529 R530 | T422-R527 HydrophobicContact CG2-CB 4.08Å; D452-R527 IonicContact OD2-NH1 3.83Å; D456-R527 IonicContact OD1-CZ 3.79Å; D456-R527 IonicContact OD1-NE 2.93Å; D456-R527 PolarHBondContact OD1-NE 3.01Å; D456-R527 IonicContact OD1-NH2 3.32Å; D456-R527 IonicContact OD2-CZ 2.84Å; D456-R527 IonicContact OD2-NE 3.04Å; D456-R527 PolarHBondContact OD2-NE 3.5Å; D456-R527 IonicContact OD2-NH2 3.81Å; D456-R527 PolarHBondContact OD2-NH2 3.49Å; D505-R527 IonicContact OD2-CZ 2.92Å; D505-R527 VanDerWaalsContact OD2-CZ 3.24Å; D505-R527 IonicContact OD2-NH1 3.92Å; D505-R527 PolarHBondContact OD2-NH1 3.39Å; D505-R527 IonicContact OD2-NH2 2.63Å; D505-R527 PolarHBondContact OD2-NH2 3.26Å; K524-R527 VanDerWaalsContact O-CB 3.31Å; K524-R527 WeakPolarHBondContact O-CB 3.33Å; K524-R527 WeakPolarHBondContact O-CG 3.28Å; K524-R527 PolarHBondContact O-N 3.43Å; T525-R527 PolarHBondContact O-N 3.36Å; T525-R527 VanDerWaalsContact O-N 3.12Å; R527-L529 PolarHBondContact O-N 2.91Å; R527-R530 VanDerWaalsContact O-CB 3.22Å; R527-R530 WeakPolarHBondContact O-CB 3.34Å; R527-R530 VanDerWaalsContact O-CD 3.24Å; R527-R530 WeakPolarHBondContact O-CD 3.27Å; R527-R530 WeakPolarHBondContact O-CG 3.41Å; R527-R530 PolarHBondContact O-N 3.37Å; R527-R530 VanDerWaalsContact O-N 3.16Å |
| 528 | L | 88.3 | Confident | 81.1 | Confident | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.6 | 176 | -65.2 | 175.8 | 0 | 0 | 0 | 113.5 | P423 T525 A526 R530 L531 | P423-L528 HydrophobicContact CG-CD1 4.39Å; P423-L528 HydrophobicContact CG-CD2 4.02Å; T525-L528 VanDerWaalsContact O-CB 3.29Å; T525-L528 WeakPolarHBondContact O-CB 3.31Å; T525-L528 WeakPolarHBondContact O-CG 3.17Å; T525-L528 PolarHBondContact O-N 3.04Å; A526-L528 PolarHBondContact O-N 2.86Å; L528-R530 PolarHBondContact O-N 2.93Å; L528-L531 HydrophobicContact CD2-CD1 4.26Å; L528-L531 WeakPolarHBondContact O-CB 3.39Å; L528-L531 PolarHBondContact O-N 3.44Å |
| 529 | L | 88.8 | Confident | 81.5 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -59.3 | -18.3 | 172.6 | -63.7 | 174.7 | 0 | 0 | 0 | 112.7 | I496 V499 A500 A526 R527 L531 V532 | I496-L529 HydrophobicContact CG2-CB 4.45Å; V499-L529 HydrophobicContact CG1-CD1 3.96Å; A500-L529 HydrophobicContact CB-CB 4.01Å; A526-L529 WeakPolarHBondContact O-CB 3.32Å; A526-L529 WeakPolarHBondContact O-CG 3.23Å; A526-L529 PolarHBondContact O-N 3.08Å; A526-L529 VanDerWaalsContact O-N 3.09Å; R527-L529 PolarHBondContact O-N 2.91Å; L529-L531 PolarHBondContact O-N 3.15Å; L529-V532 WeakPolarHBondContact O-CB 3.39Å; L529-V532 WeakPolarHBondContact O-CG2 3.48Å; L529-V532 PolarHBondContact O-N 3.11Å; L529-V532 VanDerWaalsContact O-N 3.09Å |
| 530 | R | 89.6 | Confident | 82 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -57.4 | -25.7 | 171.9 | -65 | 170.8 | -173.8 | -174.1 | 0.8 | 112.9 | V415 D456 F459 A500 R527 L528 V532 R533 | V415-R530 HydrophobicContact CG1-CB 4.42Å; V415-R530 HydrophobicContact CG2-CB 4.25Å; D456-R530 IonicContact OD1-CZ 3.11Å; D456-R530 IonicContact OD1-NH1 2.84Å; D456-R530 PolarHBondContact OD1-NH1 2.95Å; D456-R530 IonicContact OD1-NH2 2.67Å; D456-R530 PolarHBondContact OD1-NH2 3.48Å; D456-R530 IonicContact OD2-NH2 2.66Å; F459-R530 HydrophobicContact CE1-CB 4.45Å; F459-R530 HydrophobicContact CE1-CG 4.33Å; F459-R530 HydrophobicContact CZ-CB 4.46Å; F459-R530 HydrophobicContact CZ-CG 4.37Å; A500-R530 HydrophobicContact CB-CG 3.95Å; A500-R530 VanDerWaalsContact O-CZ 3.23Å; A500-R530 PolarHBondContact O-NE 2.7Å; A500-R530 PolarHBondContact O-NH2 2.82Å; R527-R530 VanDerWaalsContact O-CB 3.22Å; R527-R530 WeakPolarHBondContact O-CB 3.34Å; R527-R530 VanDerWaalsContact O-CD 3.24Å; R527-R530 WeakPolarHBondContact O-CD 3.27Å; R527-R530 WeakPolarHBondContact O-CG 3.41Å; R527-R530 PolarHBondContact O-N 3.37Å; R527-R530 VanDerWaalsContact O-N 3.16Å; L528-R530 PolarHBondContact O-N 2.93Å; R530-V532 PolarHBondContact O-N 3.35Å; R530-R533 VanDerWaalsContact O-CB 3.24Å; R530-R533 WeakPolarHBondContact O-CB 3.46Å; R530-R533 WeakPolarHBondContact O-CG 3.35Å; R530-R533 PolarHBondContact O-N 3Å |
| 531 | L | 87.1 | Confident | 82.3 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.3 | -24 | 176.5 | -74.1 | 153.7 | 0 | 0 | 0 | 113.6 | V415 A419 L528 L529 R533 V534 W562 | V415-L531 HydrophobicContact CG1-CD2 3.72Å; V415-L531 HydrophobicContact CG1-CG 3.95Å; A419-L531 HydrophobicContact CB-CD1 3.84Å; A419-L531 HydrophobicContact CB-CD2 3.89Å; A419-L531 HydrophobicContact CB-CG 4.14Å; L528-L531 HydrophobicContact CD2-CD1 4.26Å; L528-L531 WeakPolarHBondContact O-CB 3.39Å; L528-L531 PolarHBondContact O-N 3.44Å; L529-L531 PolarHBondContact O-N 3.15Å; L531-R533 PolarHBondContact O-N 3.15Å; L531-V534 WeakPolarHBondContact O-CB 3.29Å; L531-V534 PolarHBondContact O-N 3.1Å; L531-W562 HydrophobicContact CD1-CH2 3.69Å; L531-W562 HydrophobicContact CD1-CZ2 3.48Å; L531-W562 VanDerWaalsContact CD1-CZ2 3.48Å |
| 532 | V | 88.2 | Confident | 82.6 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -25.8 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | W493 I496 L529 R530 V534 A535 R536 | W493-V532 HydrophobicContact CE3-CG1 4.32Å; W493-V532 HydrophobicContact CZ3-CG1 3.74Å; I496-V532 HydrophobicContact CG2-CB 4.4Å; L529-V532 WeakPolarHBondContact O-CB 3.39Å; L529-V532 WeakPolarHBondContact O-CG2 3.48Å; L529-V532 PolarHBondContact O-N 3.11Å; L529-V532 VanDerWaalsContact O-N 3.09Å; R530-V532 PolarHBondContact O-N 3.35Å; V532-V534 PolarHBondContact O-N 3.09Å; V532-A535 PolarHBondContact O-N 3.29Å; V532-R536 WeakPolarHBondContact O-CG 3.29Å; V532-R536 PolarHBondContact O-N 2.79Å |
| 533 | R | 84.4 | Confident | 82.9 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -20.1 | 173.3 | -53 | -158.5 | 178.5 | 175.1 | 13.5 | 113.7 | F459 D462 D497 R530 L531 | F459-R533 PolarHBondContact O-NH1 3.29Å; D462-R533 IonicContact OD2-CZ 3.57Å; D462-R533 IonicContact OD2-NH1 3.32Å; D462-R533 PolarHBondContact OD2-NH1 3.16Å; D497-R533 PolarHBondContact O-NH2 3.01Å; D497-R533 VanDerWaalsContact O-NH2 3.07Å; D497-R533 IonicContact OD1-CZ 3.85Å; D497-R533 IonicContact OD1-NE 2.68Å; D497-R533 PolarHBondContact OD1-NE 2.87Å; D497-R533 IonicContact OD1-NH2 3.29Å; D497-R533 IonicContact OD2-NE 3.35Å; R530-R533 VanDerWaalsContact O-CB 3.24Å; R530-R533 WeakPolarHBondContact O-CB 3.46Å; R530-R533 WeakPolarHBondContact O-CG 3.35Å; R530-R533 PolarHBondContact O-N 3Å; L531-R533 PolarHBondContact O-N 3.15Å |
| 534 | V | 85.1 | Confident | 83 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.8 | -47.5 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | L412 V415 L531 V532 R536 K537 L538 L551 | L412-V534 HydrophobicContact CD1-CB 4.41Å; L412-V534 HydrophobicContact CD1-CG1 3.87Å; L412-V534 HydrophobicContact CD1-CG2 3.73Å; V415-V534 HydrophobicContact CB-CG2 4.34Å; V415-V534 HydrophobicContact CG1-CG2 3.73Å; L531-V534 WeakPolarHBondContact O-CB 3.29Å; L531-V534 PolarHBondContact O-N 3.1Å; V532-V534 PolarHBondContact O-N 3.09Å; V534-R536 PolarHBondContact O-N 3.33Å; V534-K537 CarbonylContact O-C 3.34Å; V534-K537 PolarHBondContact O-N 3.04Å; V534-L538 PolarHBondContact O-N 3Å; V534-L538 VanDerWaalsContact O-N 3.17Å; V534-L551 HydrophobicContact CG1-CD1 4Å; V534-L551 HydrophobicContact CG1-CD2 4.48Å |
| 535 | A | 80.3 | Confident | 82.8 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 55% | 0.554 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -55 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V532 K537 L538 | V532-A535 PolarHBondContact O-N 3.29Å; A535-K537 PolarHBondContact O-N 3.43Å; A535-K537 VanDerWaalsContact O-N 3.12Å; A535-L538 VanDerWaalsContact O-CB 3.28Å; A535-L538 WeakPolarHBondContact O-CB 3.32Å; A535-L538 PolarHBondContact O-N 3.12Å |
| 536 | R | 80.3 | Confident | 82.6 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 25% | 0.249 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.5 | 176.2 | -66 | -172.9 | -58.9 | 139.2 | -20.8 | 115.9 | W493 D497 V532 V534 | W493-R536 HydrophobicContact CD2-CG 4.23Å; W493-R536 VanDerWaalsContact CE3-CD 3.47Å; W493-R536 HydrophobicContact CE3-CG 4.39Å; W493-R536 HydrophobicContact CH2-CG 3.99Å; W493-R536 HydrophobicContact CZ2-CG 3.83Å; W493-R536 HydrophobicContact CZ3-CG 4.28Å; D497-R536 IonicContact OD1-CZ 3.8Å; D497-R536 IonicContact OD1-NH2 2.84Å; D497-R536 PolarHBondContact OD1-NH2 2.99Å; D497-R536 IonicContact OD2-CZ 3.15Å; D497-R536 IonicContact OD2-NH1 2.81Å; D497-R536 IonicContact OD2-NH2 3.01Å; D497-R536 PolarHBondContact OD2-NH2 3.38Å; V532-R536 WeakPolarHBondContact O-CG 3.29Å; V532-R536 PolarHBondContact O-N 2.79Å; V534-R536 PolarHBondContact O-N 3.33Å |
| 537 | K | 78.2 | Confident | 82.4 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 13% | 0.13 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 4.4 | 179.4 | -61.4 | 179.6 | -168.3 | 177.8 | 0 | 111.7 | D408 V534 A535 D539 R540 Y541 | D408-K537 HydrophobicContact CB-CD 4.46Å; D408-K537 WeakPolarHBondContact OD1-CE 3.33Å; D408-K537 IonicContact OD1-NZ 3.99Å; D408-K537 PolarHBondContact OD1-NZ 2.88Å; V534-K537 CarbonylContact O-C 3.34Å; V534-K537 PolarHBondContact O-N 3.04Å; A535-K537 PolarHBondContact O-N 3.43Å; A535-K537 VanDerWaalsContact O-N 3.12Å; K537-D539 VanDerWaalsContact C-N 3.3Å; K537-D539 PolarHBondContact O-N 3.2Å; K537-R540 PolarHBondContact O-N 3.45Å; K537-Y541 HydrophobicContact CB-CD2 4.11Å; K537-Y541 HydrophobicContact CB-CE2 3.54Å; K537-Y541 VanDerWaalsContact O-CD2 3.24Å; K537-Y541 WeakPolarHBondContact O-CD2 3.26Å; K537-Y541 PolarHBondContact O-N 3.42Å; K537-Y541 VanDerWaalsContact O-N 3.12Å |
| 538 | L | 80.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 41% | 0.414 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | -176.5 | -176.3 | 61.6 | 0 | 0 | 0 | 111.6 | V534 A535 R540 Y541 S542 L551 | V534-L538 PolarHBondContact O-N 3Å; V534-L538 VanDerWaalsContact O-N 3.17Å; A535-L538 VanDerWaalsContact O-CB 3.28Å; A535-L538 WeakPolarHBondContact O-CB 3.32Å; A535-L538 PolarHBondContact O-N 3.12Å; L538-R540 PolarHBondContact O-N 3.5Å; L538-Y541 CarbonylContact O-C 3.59Å; L538-Y541 WeakPolarHBondContact O-CA 3.43Å; L538-Y541 PolarHBondContact O-N 3.43Å; L538-S542 WeakPolarHBondContact O-CB 3.47Å; L538-S542 PolarHBondContact O-N 2.98Å; L538-L551 HydrophobicContact CD1-CD2 3.69Å |
| 539 | D | 77.8 | Confident | 82 | Confident | 123 Ų | 123 | 55.4 Ų | 55.4 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.7 | -47.7 | 179.8 | -49.6 | -30.7 | 0 | 0 | 0 | 111.5 | K537 Y541 S542 | K537-D539 VanDerWaalsContact C-N 3.3Å; K537-D539 PolarHBondContact O-N 3.2Å; D539-Y541 VanDerWaalsContact C-N 3.34Å; D539-Y541 PolarHBondContact O-N 3.2Å; D539-S542 WeakPolarHBondContact O-CB 3.39Å; D539-S542 PolarHBondContact O-N 3.42Å; D539-S542 VanDerWaalsContact O-N 3.12Å; D539-S542 PolarHBondContact O-OG 2.84Å |
| 540 | R | 79.6 | Confident | 81.8 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.2 | -32.6 | 175.9 | -178.6 | 178 | -69.7 | -165.1 | -10 | 113 | H399 D408 K537 L538 S542 Y544 | H399-R540 PolarHBondContact O-NH1 2.85Å; H399-R540 PolarHBondContact O-NH2 2.87Å; D408-R540 IonicContact OD2-NH1 3.42Å; K537-R540 PolarHBondContact O-N 3.45Å; L538-R540 PolarHBondContact O-N 3.5Å; R540-S542 VanDerWaalsContact C-N 3.35Å; R540-Y544 WeakPolarHBondContact O-CD2 3.4Å |
| 541 | Y | 77.2 | Confident | 81.5 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.5 | -23 | 174.4 | -58.7 | -38.2 | 0 | 0 | 0 | 112.3 | D408 W409 L412 K537 L538 D539 E543 Y544 | D408-Y541 PolarHBondContact O-OH 3.2Å; W409-Y541 HydrophobicContact CH2-CD1 4.35Å; W409-Y541 HydrophobicContact CH2-CE1 4.45Å; W409-Y541 HydrophobicContact CZ2-CD1 4.34Å; W409-Y541 HydrophobicContact CZ2-CE1 4.34Å; L412-Y541 HydrophobicContact CD1-CE2 4.43Å; L412-Y541 HydrophobicContact CD2-CE2 4.06Å; K537-Y541 HydrophobicContact CB-CD2 4.11Å; K537-Y541 HydrophobicContact CB-CE2 3.54Å; K537-Y541 VanDerWaalsContact O-CD2 3.24Å; K537-Y541 WeakPolarHBondContact O-CD2 3.26Å; K537-Y541 PolarHBondContact O-N 3.42Å; K537-Y541 VanDerWaalsContact O-N 3.12Å; L538-Y541 CarbonylContact O-C 3.59Å; L538-Y541 WeakPolarHBondContact O-CA 3.43Å; L538-Y541 PolarHBondContact O-N 3.43Å; D539-Y541 VanDerWaalsContact C-N 3.34Å; D539-Y541 PolarHBondContact O-N 3.2Å; Y541-E543 VanDerWaalsContact C-N 3.33Å; Y541-E543 PolarHBondContact O-N 2.98Å; Y541-Y544 PolarHBondContact O-N 3.43Å |
| 542 | S | 76.8 | Confident | 81.3 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 49% | 0.49 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.9 | -27.1 | 179.2 | 80.7 | 0 | 0 | 0 | 0 | 113.6 | L538 D539 R540 Y544 | L538-S542 WeakPolarHBondContact O-CB 3.47Å; L538-S542 PolarHBondContact O-N 2.98Å; D539-S542 WeakPolarHBondContact O-CB 3.39Å; D539-S542 PolarHBondContact O-N 3.42Å; D539-S542 VanDerWaalsContact O-N 3.12Å; D539-S542 PolarHBondContact O-OG 2.84Å; R540-S542 VanDerWaalsContact C-N 3.35Å; S542-Y544 PolarHBondContact O-N 2.98Å |
| 543 | E | 80.3 | Confident | 81.3 | Confident | 126 Ų | 126 | 60.3 Ų | 60.3 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -36.1 | 169.4 | -62.8 | 170 | -150.9 | 0 | 0 | 112 | Y541 | Y541-E543 VanDerWaalsContact C-N 3.33Å; Y541-E543 PolarHBondContact O-N 2.98Å |
| 544 | Y | 80.4 | Confident | 81.4 | Confident | 141 Ų | 141 | 61.6 Ų | 61.6 | 55% | 0.553 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -102.8 | 85.3 | -175.5 | -59.1 | -90.2 | 0 | 0 | 0 | 110.3 | R540 Y541 S542 A546 A547 V548 | R540-Y544 WeakPolarHBondContact O-CD2 3.4Å; Y541-Y544 PolarHBondContact O-N 3.43Å; S542-Y544 PolarHBondContact O-N 2.98Å; Y544-A546 PolarHBondContact O-N 3.18Å; Y544-A547 WeakPolarHBondContact O-CA 3.21Å; Y544-A547 VanDerWaalsContact O-CB 3.28Å; Y544-A547 WeakPolarHBondContact O-CB 3.49Å; Y544-A547 PolarHBondContact O-N 3.39Å; Y544-V548 PolarHBondContact O-N 3.39Å; Y544-V548 VanDerWaalsContact O-N 3.11Å |
| 545 | G | 77.9 | Confident | 81.5 | Confident | 25 Ų | 25 | 64 Ų | 64 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -49.8 | -35.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A547 V548 L549 I668 | G545-A547 VanDerWaalsContact C-N 3.35Å; G545-A547 PolarHBondContact O-N 2.95Å; G545-V548 WeakPolarHBondContact O-CB 3.39Å; G545-V548 PolarHBondContact O-N 2.84Å; G545-L549 PolarHBondContact O-N 3.45Å; G545-L549 VanDerWaalsContact O-N 3.08Å; G545-I668 WeakPolarHBondContact O-CD1 3.26Å |
| 546 | A | 80.2 | Confident | 81.8 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y544 M550 | Y544-A546 PolarHBondContact O-N 3.18Å; A546-M550 WeakPolarHBondContact O-CG 3.28Å; A546-M550 PolarHBondContact O-N 3.27Å; A546-M550 VanDerWaalsContact O-N 3.11Å |
| 547 | A | 82.2 | Confident | 82.3 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W409 Y544 G545 M550 L551 | W409-A547 HydrophobicContact CH2-CB 4.08Å; Y544-A547 WeakPolarHBondContact O-CA 3.21Å; Y544-A547 VanDerWaalsContact O-CB 3.28Å; Y544-A547 WeakPolarHBondContact O-CB 3.49Å; Y544-A547 PolarHBondContact O-N 3.39Å; G545-A547 VanDerWaalsContact C-N 3.35Å; G545-A547 PolarHBondContact O-N 2.95Å; A547-M550 PolarHBondContact O-N 3.19Å; A547-L551 VanDerWaalsContact O-CB 3.24Å; A547-L551 WeakPolarHBondContact O-CB 3.38Å; A547-L551 PolarHBondContact O-N 3.26Å |
| 548 | V | 83.6 | Confident | 82.9 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | Y544 G545 L551 L552 | Y544-V548 PolarHBondContact O-N 3.39Å; Y544-V548 VanDerWaalsContact O-N 3.11Å; G545-V548 WeakPolarHBondContact O-CB 3.39Å; G545-V548 PolarHBondContact O-N 2.84Å; V548-L551 PolarHBondContact O-N 3.06Å; V548-L552 VanDerWaalsContact O-CB 3.32Å; V548-L552 WeakPolarHBondContact O-CB 3.23Å; V548-L552 PolarHBondContact O-N 2.98Å |
| 549 | L | 83.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 60 Ų | 60 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 175 | -178.9 | 163.8 | 0 | 0 | 0 | 111.3 | G545 L551 L552 M553 V665 I668 | G545-L549 PolarHBondContact O-N 3.45Å; G545-L549 VanDerWaalsContact O-N 3.08Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.06Å; L549-L552 PolarHBondContact O-N 3.24Å; L549-M553 HydrophobicContact CD2-CG 4.1Å; L549-M553 WeakPolarHBondContact O-CG 3.32Å; L549-M553 PolarHBondContact O-N 3.31Å; L549-V665 HydrophobicContact CD1-CB 4.34Å; L549-V665 HydrophobicContact CD1-CG2 3.51Å; L549-V665 HydrophobicContact CG-CG2 4.23Å; L549-I668 HydrophobicContact CB-CD1 3.92Å; L549-I668 HydrophobicContact CD1-CD1 3.66Å; L549-I668 HydrophobicContact CG-CD1 4.48Å |
| 550 | M | 84.3 | Confident | 83.9 | Confident | 131 Ų | 131 | 54.2 Ų | 54.2 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -40.2 | 177.9 | -76.6 | -63.2 | -61 | 0 | 0 | 112.7 | A546 A547 C554 | A546-M550 WeakPolarHBondContact O-CG 3.28Å; A546-M550 PolarHBondContact O-N 3.27Å; A546-M550 VanDerWaalsContact O-N 3.11Å; A547-M550 PolarHBondContact O-N 3.19Å; M550-C554 WeakPolarHBondContact O-CB 3.36Å; M550-C554 PolarHBondContact O-N 2.87Å |
| 551 | L | 83.5 | Confident | 84.6 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.5 | 179.1 | 61 | 0 | 0 | 0 | 111.3 | V534 L538 A547 V548 L549 C554 I555 | V534-L551 HydrophobicContact CG1-CD1 4Å; V534-L551 HydrophobicContact CG1-CD2 4.48Å; L538-L551 HydrophobicContact CD1-CD2 3.69Å; A547-L551 VanDerWaalsContact O-CB 3.24Å; A547-L551 WeakPolarHBondContact O-CB 3.38Å; A547-L551 PolarHBondContact O-N 3.26Å; V548-L551 PolarHBondContact O-N 3.06Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.06Å; L551-C554 WeakPolarHBondContact O-CB 3.41Å; L551-C554 PolarHBondContact O-N 3.33Å; L551-I555 HydrophobicContact CD1-CD1 4.13Å; L551-I555 HydrophobicContact CD1-CG1 4.39Å; L551-I555 HydrophobicContact CG-CD1 3.93Å; L551-I555 VanDerWaalsContact O-CG1 3.28Å; L551-I555 WeakPolarHBondContact O-CG1 3.47Å; L551-I555 PolarHBondContact O-N 3.44Å |
| 552 | L | 83.8 | Confident | 85.4 | Confident | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.7 | -169.1 | 60.6 | 0 | 0 | 0 | 111.9 | V548 L549 C554 I555 F556 M657 S660 I661 | V548-L552 VanDerWaalsContact O-CB 3.32Å; V548-L552 WeakPolarHBondContact O-CB 3.23Å; V548-L552 PolarHBondContact O-N 2.98Å; L549-L552 PolarHBondContact O-N 3.24Å; L552-C554 VanDerWaalsContact C-N 3.34Å; L552-I555 PolarHBondContact O-N 2.9Å; L552-F556 PolarHBondContact O-N 3.02Å; L552-M657 HydrophobicContact CD1-CG 4.03Å; L552-M657 HydrophobicContact CG-CG 4.43Å; L552-S660 WeakPolarHBondContact CD2-OG 3.4Å; L552-I661 HydrophobicContact CB-CG1 4.45Å; L552-I661 HydrophobicContact CD2-CB 4.43Å; L552-I661 HydrophobicContact CD2-CG1 3.56Å; L552-I661 HydrophobicContact CG-CD1 4.34Å; L552-I661 HydrophobicContact CG-CG1 3.67Å |
| 553 | M | 86.8 | Confident | 86.1 | Confident | 80 Ų | 80 | 51.8 Ų | 51.8 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 170.7 | -69.5 | -66.7 | -157.6 | 0 | 0 | 112 | L549 F556 A557 I661 | L549-M553 HydrophobicContact CD2-CG 4.1Å; L549-M553 WeakPolarHBondContact O-CG 3.32Å; L549-M553 PolarHBondContact O-N 3.31Å; M553-F556 PolarHBondContact O-N 2.84Å; M553-A557 PolarHBondContact O-N 2.79Å; M553-A557 VanDerWaalsContact O-N 3.1Å; M553-I661 HydrophobicContact CE-CG2 3.42Å; M553-I661 VanDerWaalsContact CE-CG2 3.42Å; M553-I661 HydrophobicContact SD-CD1 4.03Å; M553-I661 HydrophobicContact SD-CG1 4.33Å; M553-I661 HydrophobicContact SD-CG2 3.85Å |
| 554 | C | 88.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | M550 L551 L552 A557 L558 | M550-C554 WeakPolarHBondContact O-CB 3.36Å; M550-C554 PolarHBondContact O-N 2.87Å; L551-C554 WeakPolarHBondContact O-CB 3.41Å; L551-C554 PolarHBondContact O-N 3.33Å; L552-C554 VanDerWaalsContact C-N 3.34Å; C554-A557 PolarHBondContact O-N 2.89Å; C554-L558 WeakPolarHBondContact O-CB 3.23Å; C554-L558 VanDerWaalsContact O-CG 3.26Å; C554-L558 WeakPolarHBondContact O-CG 3.48Å; C554-L558 PolarHBondContact O-N 3.07Å |
| 555 | I | 87.1 | Confident | 87.2 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -44 | 176.3 | -72.8 | 164.5 | 0 | 0 | 0 | 110.4 | L551 L552 A557 L558 I559 | L551-I555 HydrophobicContact CD1-CD1 4.13Å; L551-I555 HydrophobicContact CD1-CG1 4.39Å; L551-I555 HydrophobicContact CG-CD1 3.93Å; L551-I555 VanDerWaalsContact O-CG1 3.28Å; L551-I555 WeakPolarHBondContact O-CG1 3.47Å; L551-I555 PolarHBondContact O-N 3.44Å; L552-I555 PolarHBondContact O-N 2.9Å; I555-A557 PolarHBondContact O-N 3.21Å; I555-L558 PolarHBondContact O-N 3.1Å; I555-I559 HydrophobicContact CG2-CD1 3.83Å; I555-I559 WeakPolarHBondContact O-CG1 3.38Å; I555-I559 PolarHBondContact O-N 3.32Å |
| 556 | F | 86.3 | Confident | 87.9 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.8 | -48.3 | 174.9 | 174.4 | -140 | 0 | 0 | 0 | 112.1 | L552 M553 L558 I559 A560 F619 L622 T623 M657 | L552-F556 PolarHBondContact O-N 3.02Å; M553-F556 PolarHBondContact O-N 2.84Å; F556-L558 VanDerWaalsContact C-N 3.34Å; F556-L558 PolarHBondContact O-N 2.71Å; F556-I559 PolarHBondContact O-N 3.43Å; F556-A560 PolarHBondContact O-N 2.99Å; F556-F619 HydrophobicContact CD1-CE1 4.37Å; F556-F619 HydrophobicContact CE1-CD1 4.26Å; F556-F619 AromaticContact CE1-CE1 3.85Å; F556-F619 HydrophobicContact CE1-CE1 3.85Å; F556-F619 HydrophobicContact CE2-CD1 4.46Å; F556-F619 HydrophobicContact CE2-CE1 4.33Å; F556-F619 AromaticContact CZ-CD1 3.88Å; F556-F619 HydrophobicContact CZ-CD1 3.88Å; F556-F619 AromaticContact CZ-CE1 3.83Å; F556-F619 HydrophobicContact CZ-CE1 3.83Å; F556-L622 HydrophobicContact CE2-CB 3.99Å; F556-L622 HydrophobicContact CE2-CD1 4.15Å; F556-T623 HydrophobicContact CZ-CG2 3.91Å; F556-M657 HydrophobicContact CB-CE 3.81Å; F556-M657 HydrophobicContact CB-SD 3.98Å; F556-M657 HydrophobicContact CD2-CE 3.3Å; F556-M657 HydrophobicContact CD2-SD 4.45Å; F556-M657 HydrophobicContact CE2-CE 3.99Å; F556-M657 HydrophobicContact CG-CE 3.68Å |
| 557 | A | 90.1 | Very high | 88.5 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M553 C554 I555 H561 F619 | M553-A557 PolarHBondContact O-N 2.79Å; M553-A557 VanDerWaalsContact O-N 3.1Å; C554-A557 PolarHBondContact O-N 2.89Å; I555-A557 PolarHBondContact O-N 3.21Å; A557-H561 VanDerWaalsContact O-CB 3.3Å; A557-H561 WeakPolarHBondContact O-CB 3.1Å; A557-H561 PolarHBondContact O-N 3.11Å; A557-F619 HydrophobicContact CB-CZ 4.37Å |
| 558 | L | 91 | Very high | 88.9 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.6 | -75.3 | 169.4 | 0 | 0 | 0 | 112.2 | A419 I420 C554 I555 F556 H561 W562 | A419-L558 HydrophobicContact CB-CD1 4.25Å; A419-L558 HydrophobicContact CB-CD2 3.71Å; I420-L558 HydrophobicContact CG1-CD2 3.62Å; C554-L558 WeakPolarHBondContact O-CB 3.23Å; C554-L558 VanDerWaalsContact O-CG 3.26Å; C554-L558 WeakPolarHBondContact O-CG 3.48Å; C554-L558 PolarHBondContact O-N 3.07Å; I555-L558 PolarHBondContact O-N 3.1Å; F556-L558 VanDerWaalsContact C-N 3.34Å; F556-L558 PolarHBondContact O-N 2.71Å; L558-H561 PolarHBondContact O-N 2.85Å; L558-W562 VanDerWaalsContact O-CD1 3.23Å; L558-W562 PolarHBondContact O-N 2.76Å |
| 559 | I | 89.3 | Confident | 89.1 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -46.6 | 176.3 | -67.6 | 164.1 | 0 | 0 | 0 | 110.6 | I555 F556 H561 W562 L563 L622 | I555-I559 HydrophobicContact CG2-CD1 3.83Å; I555-I559 WeakPolarHBondContact O-CG1 3.38Å; I555-I559 PolarHBondContact O-N 3.32Å; F556-I559 PolarHBondContact O-N 3.43Å; I559-H561 VanDerWaalsContact C-N 3.3Å; I559-H561 PolarHBondContact O-N 3.33Å; I559-W562 PolarHBondContact O-N 3.28Å; I559-L563 HydrophobicContact CG2-CD1 4.17Å; I559-L563 WeakPolarHBondContact O-CG 3.37Å; I559-L563 PolarHBondContact O-N 3.44Å; I559-L622 HydrophobicContact CG2-CD1 4.27Å |
| 560 | A | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F556 A564 T618 F619 L622 | F556-A560 PolarHBondContact O-N 2.99Å; A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 2.97Å; A560-T618 PolarHBondContact O-OG1 2.89Å; A560-F619 HydrophobicContact CB-CD1 3.95Å; A560-F619 HydrophobicContact CB-CD2 3.85Å; A560-F619 HydrophobicContact CB-CE1 3.72Å; A560-F619 HydrophobicContact CB-CE2 3.6Å; A560-F619 HydrophobicContact CB-CG 4.02Å; A560-F619 HydrophobicContact CB-CZ 3.54Å; A560-L622 HydrophobicContact CB-CD1 3.66Å |
| 561 | H | 93.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.3 | 173.9 | 58.4 | 0 | 0 | 0 | 113.5 | I420 A557 L558 I559 A564 C565 Y611 L615 | I420-H561 PolarHBondContact O-NE2 2.96Å; A557-H561 VanDerWaalsContact O-CB 3.3Å; A557-H561 WeakPolarHBondContact O-CB 3.1Å; A557-H561 PolarHBondContact O-N 3.11Å; L558-H561 PolarHBondContact O-N 2.85Å; I559-H561 VanDerWaalsContact C-N 3.3Å; I559-H561 PolarHBondContact O-N 3.33Å; H561-A564 WeakPolarHBondContact O-CB 3.36Å; H561-A564 PolarHBondContact O-N 3Å; H561-C565 PolarHBondContact CE1-SG 3.02Å; H561-C565 PolarHBondContact O-N 2.93Å; H561-C565 PolarHBondContact O-SG 2.87Å; H561-Y611 AromaticContact CE1-CE2 3.7Å; H561-Y611 AromaticContact ND1-CE2 3.52Å; H561-Y611 AromaticContact ND1-CZ 3.79Å; H561-Y611 PolarHBondContact ND1-OH 3.22Å; H561-Y611 VanDerWaalsContact ND1-OH 3.15Å; H561-L615 HydrophobicContact CB-CD1 4.48Å |
| 562 | W | 93.1 | Very high | 89.5 | Confident | 85 Ų | 85 | 33 Ų | 33 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 178.4 | -65.2 | -3.8 | 0 | 0 | 0 | 111.6 | A419 L531 L558 I559 A564 C565 I566 | A419-W562 HydrophobicContact CB-CZ2 4.47Å; A419-W562 PolarHBondContact O-NE1 2.73Å; L531-W562 HydrophobicContact CD1-CH2 3.69Å; L531-W562 HydrophobicContact CD1-CZ2 3.48Å; L531-W562 VanDerWaalsContact CD1-CZ2 3.48Å; L558-W562 VanDerWaalsContact O-CD1 3.23Å; L558-W562 PolarHBondContact O-N 2.76Å; I559-W562 PolarHBondContact O-N 3.28Å; W562-A564 VanDerWaalsContact C-N 3.27Å; W562-A564 PolarHBondContact O-N 2.89Å; W562-C565 PolarHBondContact O-N 2.82Å; W562-I566 WeakPolarHBondContact O-CG1 3.32Å; W562-I566 PolarHBondContact O-N 2.87Å |
| 563 | L | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 174.1 | -66.5 | 177.2 | 0 | 0 | 0 | 111.3 | I559 I566 W567 T618 L622 F640 V644 | I559-L563 HydrophobicContact CG2-CD1 4.17Å; I559-L563 WeakPolarHBondContact O-CG 3.37Å; I559-L563 PolarHBondContact O-N 3.44Å; L563-I566 PolarHBondContact O-N 2.59Å; L563-W567 VanDerWaalsContact O-CB 3.3Å; L563-W567 WeakPolarHBondContact O-CB 3.39Å; L563-W567 PolarHBondContact O-N 3.13Å; L563-T618 HydrophobicContact CB-CG2 3.81Å; L563-L622 HydrophobicContact CD1-CD1 4.18Å; L563-L622 HydrophobicContact CD1-CD2 4.01Å; L563-L622 HydrophobicContact CD1-CG 4.31Å; L563-F640 HydrophobicContact CB-CZ 4.3Å; L563-F640 HydrophobicContact CD2-CE2 4.3Å; L563-F640 HydrophobicContact CD2-CZ 4.19Å; L563-F640 WeakPolarHBondContact O-CZ 3.38Å; L563-V644 HydrophobicContact CD1-CG1 4.29Å; L563-V644 HydrophobicContact CD1-CG2 4.16Å; L563-V644 HydrophobicContact CD2-CG2 4.15Å |
| 564 | A | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A560 H561 W562 W567 Y568 A614 L615 T618 | A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 2.97Å; H561-A564 WeakPolarHBondContact O-CB 3.36Å; H561-A564 PolarHBondContact O-N 3Å; W562-A564 VanDerWaalsContact C-N 3.27Å; W562-A564 PolarHBondContact O-N 2.89Å; A564-W567 PolarHBondContact O-N 3.44Å; A564-Y568 PolarHBondContact O-N 3.4Å; A564-A614 HydrophobicContact CB-CB 4.12Å; A564-L615 HydrophobicContact CB-CB 4.05Å; A564-T618 HydrophobicContact CB-CG2 4.35Å |
| 565 | C | 92.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 173.9 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | P423 A427 H561 W562 Y568 A569 | P423-C565 HydrophobicContact CB-CB 4.17Å; A427-C565 HydrophobicContact CB-CB 3.87Å; A427-C565 WeakPolarHBondContact CB-O 3.14Å; H561-C565 PolarHBondContact CE1-SG 3.02Å; H561-C565 PolarHBondContact O-N 2.93Å; H561-C565 PolarHBondContact O-SG 2.87Å; W562-C565 PolarHBondContact O-N 2.82Å; C565-Y568 PolarHBondContact O-N 2.95Å; C565-A569 WeakPolarHBondContact O-CB 3.39Å; C565-A569 PolarHBondContact O-N 3.44Å |
| 566 | I | 91.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 41% | 0.41 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.3 | -42.8 | 176.8 | -62.8 | 162.1 | 0 | 0 | 0 | 111 | W562 L563 Y568 A569 I570 F640 | W562-I566 WeakPolarHBondContact O-CG1 3.32Å; W562-I566 PolarHBondContact O-N 2.87Å; L563-I566 PolarHBondContact O-N 2.59Å; I566-Y568 VanDerWaalsContact C-N 3.3Å; I566-Y568 PolarHBondContact O-N 3.27Å; I566-A569 WeakPolarHBondContact O-CB 3.29Å; I566-A569 PolarHBondContact O-N 3.23Å; I566-A569 VanDerWaalsContact O-N 3.12Å; I566-I570 HydrophobicContact CG2-CD1 4Å; I566-I570 HydrophobicContact CG2-CG1 4.48Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.02Å; I566-F640 HydrophobicContact CB-CE2 3.97Å; I566-F640 HydrophobicContact CB-CZ 4.35Å; I566-F640 HydrophobicContact CG2-CD2 3.96Å; I566-F640 HydrophobicContact CG2-CE2 3.45Å; I566-F640 VanDerWaalsContact CG2-CE2 3.45Å; I566-F640 HydrophobicContact CG2-CZ 4.25Å |
| 567 | W | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 175.4 | 179.8 | -117.3 | 0 | 0 | 0 | 112.7 | L563 A564 G571 W584 F617 V630 P632 E637 F640 | L563-W567 VanDerWaalsContact O-CB 3.3Å; L563-W567 WeakPolarHBondContact O-CB 3.39Å; L563-W567 PolarHBondContact O-N 3.13Å; A564-W567 PolarHBondContact O-N 3.44Å; W567-G571 PolarHBondContact O-N 3.38Å; W567-W584 AromaticContact CD1-CE2 3.6Å; W567-W584 AromaticContact CD1-CH2 3.97Å; W567-W584 AromaticContact CD1-CZ2 3.49Å; W567-W584 VanDerWaalsContact CD1-CZ2 3.49Å; W567-W584 AromaticContact CD1-NE1 3.92Å; W567-W584 AromaticContact CD2-NE1 3.83Å; W567-W584 AromaticContact CE2-CD1 3.55Å; W567-W584 AromaticContact CE2-CD2 3.76Å; W567-W584 AromaticContact CE2-CE2 3.7Å; W567-W584 AromaticContact CE2-CG 3.7Å; W567-W584 AromaticContact CE2-NE1 3.52Å; W567-W584 HydrophobicContact CG-CZ2 4.29Å; W567-W584 HydrophobicContact CH2-CB 4.36Å; W567-W584 AromaticContact CH2-CD1 3.95Å; W567-W584 HydrophobicContact CH2-CG 4.24Å; W567-W584 HydrophobicContact CZ2-CB 3.71Å; W567-W584 AromaticContact CZ2-CD1 3.46Å; W567-W584 VanDerWaalsContact CZ2-CD1 3.46Å; W567-W584 AromaticContact CZ2-CD2 3.97Å; W567-W584 HydrophobicContact CZ2-CD2 3.97Å; W567-W584 AromaticContact CZ2-CG 3.45Å; W567-W584 HydrophobicContact CZ2-CG 3.45Å; W567-W584 VanDerWaalsContact CZ2-CG 3.45Å; W567-W584 AromaticContact CZ2-NE1 3.95Å; W567-W584 AromaticContact NE1-CD1 3.92Å; W567-W584 AromaticContact NE1-CD2 3.36Å; W567-W584 AromaticContact NE1-CE2 3.22Å; W567-W584 AromaticContact NE1-CE3 3.75Å; W567-W584 AromaticContact NE1-CG 3.84Å; W567-W584 AromaticContact NE1-CH2 3.92Å; W567-W584 AromaticContact NE1-CZ2 3.53Å; W567-W584 AromaticContact NE1-NE1 3.55Å; W567-W584 PolarHBondContact O-NE1 3.07Å; W567-F617 AromaticContact CD1-CD1 3.8Å; W567-F617 AromaticContact CD2-CD1 3.76Å; W567-F617 HydrophobicContact CD2-CD1 3.76Å; W567-F617 AromaticContact CD2-CE1 3.67Å; W567-F617 HydrophobicContact CD2-CE1 3.67Å; W567-F617 AromaticContact CE2-CD1 3.46Å; W567-F617 VanDerWaalsContact CE2-CD1 3.46Å; W567-F617 AromaticContact CE2-CE1 3.53Å; W567-F617 HydrophobicContact CE3-CD1 4.47Å; W567-F617 AromaticContact CE3-CE1 3.92Å; W567-F617 HydrophobicContact CE3-CE1 3.92Å; W567-F617 AromaticContact CG-CD1 3.95Å; W567-F617 HydrophobicContact CG-CD1 3.95Å; W567-F617 HydrophobicContact CG-CE1 4.27Å; W567-F617 AromaticContact CH2-CE1 3.85Å; W567-F617 HydrophobicContact CH2-CE1 3.85Å; W567-F617 AromaticContact CH2-CZ 3.98Å; W567-F617 HydrophobicContact CH2-CZ 3.98Å; W567-F617 AromaticContact CZ2-CD1 3.91Å; W567-F617 HydrophobicContact CZ2-CD1 3.91Å; W567-F617 AromaticContact CZ2-CE1 3.63Å; W567-F617 HydrophobicContact CZ2-CE1 3.63Å; W567-F617 HydrophobicContact CZ2-CE2 4.45Å; W567-F617 HydrophobicContact CZ2-CG 4.43Å; W567-F617 AromaticContact CZ2-CZ 3.94Å; W567-F617 HydrophobicContact CZ2-CZ 3.94Å; W567-F617 AromaticContact CZ3-CE1 3.98Å; W567-F617 HydrophobicContact CZ3-CE1 3.98Å; W567-F617 HydrophobicContact CZ3-CZ 4.39Å; W567-F617 AromaticContact NE1-CD1 3.5Å; W567-F617 AromaticContact NE1-CG 3.99Å; W567-V630 HydrophobicContact CZ2-CG1 4.31Å; W567-P632 HydrophobicContact CH2-CB 4.04Å; W567-E637 HydrophobicContact CH2-CB 3.82Å; W567-E637 HydrophobicContact CH2-CG 3.83Å; W567-E637 HydrophobicContact CZ3-CB 3.77Å; W567-E637 HydrophobicContact CZ3-CG 3.84Å; W567-F640 HydrophobicContact CB-CE1 3.83Å; W567-F640 HydrophobicContact CB-CZ 4.15Å; W567-F640 HydrophobicContact CD2-CD1 4.28Å; W567-F640 HydrophobicContact CD2-CE1 4.17Å; W567-F640 AromaticContact CE3-CD1 3.29Å; W567-F640 HydrophobicContact CE3-CD1 3.29Å; W567-F640 AromaticContact CE3-CE1 3.61Å; W567-F640 HydrophobicContact CE3-CE1 3.61Å; W567-F640 HydrophobicContact CE3-CG 4.22Å; W567-F640 HydrophobicContact CG-CE1 4.32Å; W567-F640 AromaticContact CZ3-CD1 3.77Å; W567-F640 HydrophobicContact CZ3-CD1 3.77Å; W567-F640 HydrophobicContact CZ3-CE1 4.45Å |
| 568 | Y | 91.1 | Very high | 86.5 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 171.3 | -178.1 | -104.6 | 0 | 0 | 0 | 113 | A427 F428 A564 C565 I566 I570 G571 N572 W584 L585 K610 | A427-Y568 HydrophobicContact CB-CD1 4.48Å; A427-Y568 WeakPolarHBondContact O-CD1 3.18Å; A427-Y568 WeakPolarHBondContact O-CE1 3.4Å; F428-Y568 AromaticContact CD1-CD1 3.49Å; F428-Y568 HydrophobicContact CD1-CD1 3.49Å; F428-Y568 VanDerWaalsContact CD1-CD1 3.49Å; F428-Y568 HydrophobicContact CD1-CD2 4.31Å; F428-Y568 AromaticContact CD1-CE1 3.46Å; F428-Y568 HydrophobicContact CD1-CE1 3.46Å; F428-Y568 VanDerWaalsContact CD1-CE1 3.46Å; F428-Y568 HydrophobicContact CD1-CE2 4.29Å; F428-Y568 AromaticContact CD1-CG 3.92Å; F428-Y568 HydrophobicContact CD1-CG 3.92Å; F428-Y568 AromaticContact CD1-CZ 3.88Å; F428-Y568 HydrophobicContact CD2-CD1 4.22Å; F428-Y568 AromaticContact CE1-CD1 3.38Å; F428-Y568 HydrophobicContact CE1-CD1 3.38Å; F428-Y568 AromaticContact CE1-CD2 3.61Å; F428-Y568 HydrophobicContact CE1-CD2 3.61Å; F428-Y568 AromaticContact CE1-CE1 3.75Å; F428-Y568 HydrophobicContact CE1-CE1 3.75Å; F428-Y568 AromaticContact CE1-CE2 3.97Å; F428-Y568 HydrophobicContact CE1-CE2 3.97Å; F428-Y568 AromaticContact CE1-CG 3.29Å; F428-Y568 HydrophobicContact CE1-CG 3.29Å; F428-Y568 HydrophobicContact CE2-CD1 4.11Å; F428-Y568 HydrophobicContact CE2-CG 4.26Å; F428-Y568 AromaticContact CG-CD1 3.93Å; F428-Y568 HydrophobicContact CG-CD1 3.93Å; F428-Y568 HydrophobicContact CG-CE1 4.02Å; F428-Y568 AromaticContact CZ-CD1 3.71Å; F428-Y568 HydrophobicContact CZ-CD1 3.71Å; F428-Y568 HydrophobicContact CZ-CD2 4.15Å; F428-Y568 HydrophobicContact CZ-CE1 4.49Å; F428-Y568 AromaticContact CZ-CG 3.49Å; F428-Y568 HydrophobicContact CZ-CG 3.49Å; F428-Y568 VanDerWaalsContact CZ-CG 3.49Å; A564-Y568 PolarHBondContact O-N 3.4Å; C565-Y568 PolarHBondContact O-N 2.95Å; I566-Y568 VanDerWaalsContact C-N 3.3Å; I566-Y568 PolarHBondContact O-N 3.27Å; Y568-I570 VanDerWaalsContact C-N 3.31Å; Y568-I570 PolarHBondContact O-N 3Å; Y568-G571 PolarHBondContact O-N 3.5Å; Y568-N572 HydrophobicContact CE1-CB 4.31Å; Y568-N572 WeakPolarHBondContact O-CB 3.39Å; Y568-N572 PolarHBondContact O-N 2.96Å; Y568-W584 HydrophobicContact CD2-CZ2 4.35Å; Y568-L585 HydrophobicContact CE2-CD2 4.46Å; Y568-K610 HydrophobicContact CD2-CB 4.27Å; Y568-K610 HydrophobicContact CE2-CB 4Å; Y568-K610 HydrophobicContact CE2-CD 3.76Å; Y568-K610 HydrophobicContact CE2-CG 4.11Å; Y568-K610 PolarHBondContact OH-NZ 2.91Å |
| 569 | A | 88.1 | Confident | 85 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C565 I566 N572 V573 | C565-A569 WeakPolarHBondContact O-CB 3.39Å; C565-A569 PolarHBondContact O-N 3.44Å; I566-A569 WeakPolarHBondContact O-CB 3.29Å; I566-A569 PolarHBondContact O-N 3.23Å; I566-A569 VanDerWaalsContact O-N 3.12Å; A569-N572 PolarHBondContact O-N 3.28Å; A569-V573 WeakPolarHBondContact O-CB 3.49Å; A569-V573 VanDerWaalsContact O-CG2 3.26Å; A569-V573 WeakPolarHBondContact O-CG2 3.33Å; A569-V573 PolarHBondContact O-N 3.35Å |
| 570 | I | 89.1 | Confident | 84 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 18% | 0.179 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -54.9 | 175.1 | -67.3 | 165.2 | 0 | 0 | 0 | 110.8 | I566 Y568 N572 V573 E574 S636 E637 F640 | I566-I570 HydrophobicContact CG2-CD1 4Å; I566-I570 HydrophobicContact CG2-CG1 4.48Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.02Å; Y568-I570 VanDerWaalsContact C-N 3.31Å; Y568-I570 PolarHBondContact O-N 3Å; I570-N572 VanDerWaalsContact C-N 3.25Å; I570-N572 PolarHBondContact O-N 2.76Å; I570-V573 PolarHBondContact O-N 3.3Å; I570-V573 VanDerWaalsContact O-N 3.16Å; I570-E574 PolarHBondContact O-N 3.46Å; I570-S636 WeakPolarHBondContact CG2-OG 3.34Å; I570-E637 HydrophobicContact CG2-CG 4.47Å; I570-F640 HydrophobicContact CD1-CB 3.62Å; I570-F640 HydrophobicContact CD1-CD1 4.37Å; I570-F640 HydrophobicContact CD1-CD2 3.48Å; I570-F640 VanDerWaalsContact CD1-CD2 3.48Å; I570-F640 HydrophobicContact CD1-CE2 4.24Å; I570-F640 HydrophobicContact CD1-CG 3.55Å |
| 571 | G | 87.1 | Confident | 83 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -28.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | W567 Y568 K575 | W567-G571 PolarHBondContact O-N 3.38Å; Y568-G571 PolarHBondContact O-N 3.5Å; G571-K575 WeakPolarHBondContact O-CB 3.49Å |
| 572 | N | 83.9 | Confident | 82.3 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -78.5 | -36.9 | 175 | -173.3 | 75.2 | 0 | 0 | 0 | 112.6 | N431 Y568 A569 I570 P576 | N431-N572 PolarHBondContact ND2-ND2 2.91Å; N431-N572 VanDerWaalsContact ND2-ND2 3.15Å; Y568-N572 HydrophobicContact CE1-CB 4.31Å; Y568-N572 WeakPolarHBondContact O-CB 3.39Å; Y568-N572 PolarHBondContact O-N 2.96Å; A569-N572 PolarHBondContact O-N 3.28Å; I570-N572 VanDerWaalsContact C-N 3.25Å; I570-N572 PolarHBondContact O-N 2.76Å; N572-P576 WeakPolarHBondContact O-CD 3.36Å |
| 573 | V | 83.4 | Confident | 82 | Confident | 91 Ų | 91 | 61 Ų | 61 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -74.6 | -35.7 | 178.7 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | A569 I570 P576 Y577 | A569-V573 WeakPolarHBondContact O-CB 3.49Å; A569-V573 VanDerWaalsContact O-CG2 3.26Å; A569-V573 WeakPolarHBondContact O-CG2 3.33Å; A569-V573 PolarHBondContact O-N 3.35Å; I570-V573 PolarHBondContact O-N 3.3Å; I570-V573 VanDerWaalsContact O-N 3.16Å; V573-P576 WeakPolarHBondContact O-CD 3.28Å; V573-Y577 VanDerWaalsContact O-CD2 3.28Å; V573-Y577 WeakPolarHBondContact O-CD2 3.38Å |
| 574 | E | 83.6 | Confident | 81.8 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.9 | -33.4 | 177.2 | -79.3 | -161.2 | 148 | 0 | 0 | 113.5 | I570 Y577 L578 T634 S636 | I570-E574 PolarHBondContact O-N 3.46Å; E574-Y577 PolarHBondContact O-N 3.47Å; E574-L578 HydrophobicContact CB-CD1 4.12Å; E574-L578 PolarHBondContact O-N 2.85Å; E574-T634 PolarHBondContact OE1-OG1 3.11Å; E574-T634 WeakPolarHBondContact OE2-CB 3.48Å; E574-T634 VanDerWaalsContact OE2-CG2 3.25Å; E574-T634 WeakPolarHBondContact OE2-CG2 3.4Å; E574-T634 PolarHBondContact OE2-OG1 3.34Å; E574-S636 VanDerWaalsContact OE1-CB 3.31Å; E574-S636 WeakPolarHBondContact OE1-CB 3.41Å; E574-S636 PolarHBondContact OE1-OG 3.08Å; E574-S636 PolarHBondContact OE2-OG 3.05Å |
| 575 | K | 76.9 | Confident | 81.6 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -45.7 | -175.7 | -173.1 | -175.4 | 179.6 | -167.5 | 0 | 115.7 | G571 L585 | G571-K575 WeakPolarHBondContact O-CB 3.49Å; K575-L585 HydrophobicContact CD-CD2 4.46Å |
| 576 | P | 73.5 | Confident | 81.2 | Confident | 99 Ų | 99 | 61 Ų | 61 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.3 | 178.3 | 27.6 | -36.5 | 0 | 0 | 0 | 115 | N572 V573 | N572-P576 WeakPolarHBondContact O-CD 3.36Å; V573-P576 WeakPolarHBondContact O-CD 3.28Å |
| 577 | Y | 70.3 | Confident | 81 | Confident | 192 Ų | 192 | 60.4 Ų | 60.4 | 75% | 0.753 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -19.9 | -176.4 | -62.2 | -75.1 | 0 | 0 | 0 | 113.6 | V573 E574 Q579 | V573-Y577 VanDerWaalsContact O-CD2 3.28Å; V573-Y577 WeakPolarHBondContact O-CD2 3.38Å; E574-Y577 PolarHBondContact O-N 3.47Å; Y577-Q579 PolarHBondContact O-N 3.31Å |
| 578 | L | 71.3 | Confident | 80.7 | Confident | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | trans | -78.6 | 113.8 | -178.9 | -102 | 63.8 | 0 | 0 | 0 | 112.4 | E574 H580 I582 T634 | E574-L578 HydrophobicContact CB-CD1 4.12Å; E574-L578 PolarHBondContact O-N 2.85Å; L578-H580 PolarHBondContact O-N 3.49Å; L578-I582 HydrophobicContact CD2-CG1 3.81Å; L578-T634 HydrophobicContact CD2-CG2 3.68Å | ||
| 579 | Q | 59.9 | Low | 80.4 | Confident | 186 Ų | 186 | 60.7 Ų | 60.7 | 87% | 0.869 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -67.2 | -23.5 | 172.3 | -67.1 | -175.4 | -10.1 | 0 | 0 | 113.4 | Y577 | Y577-Q579 PolarHBondContact O-N 3.31Š|
| 580 | H | 67.3 | Low | 80.2 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -116.1 | 130.7 | 177.8 | -67.3 | 84.2 | 0 | 0 | 0 | 109.8 | L578 I582 | L578-H580 PolarHBondContact O-N 3.49Å; H580-I582 HydrophobicContact CB-CG2 4.11Å; H580-I582 PolarHBondContact O-N 2.92Å |
| 581 | K | 69.6 | Low | 80 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -76.1 | 65.6 | -177.3 | -65.7 | -170.3 | 176.3 | -171.7 | 0 | 112.6 | D586 Y596 Y598 | K581-D586 WeakPolarHBondContact CA-OD2 3.46Å; K581-D586 HydrophobicContact CB-CB 4.14Å; K581-D586 WeakPolarHBondContact CB-OD2 3.4Å; K581-Y596 PolarHBondContact NZ-O 2.72Å; K581-Y598 WeakPolarHBondContact CE-OH 3.48Å; K581-Y598 VanDerWaalsContact NZ-CE2 3.29Å | ||
| 582 | I | 80.7 | Confident | 79.9 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | trans | -106.4 | -11.8 | -173.5 | 59.7 | 163.8 | 0 | 0 | 0 | 114.2 | L578 H580 N633 T634 | L578-I582 HydrophobicContact CD2-CG1 3.81Å; H580-I582 HydrophobicContact CB-CG2 4.11Å; H580-I582 PolarHBondContact O-N 2.92Å; I582-N633 WeakPolarHBondContact O-CB 3.46Å; I582-N633 PolarHBondContact O-ND2 3.49Å; I582-T634 HydrophobicContact CG1-CG2 4.4Å | ||
| 583 | G | 84.9 | Confident | 79.7 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -68.1 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L585 D586 N587 E637 | G583-L585 PolarHBondContact O-N 3.35Å; G583-L585 VanDerWaalsContact O-N 3.13Å; G583-D586 PolarHBondContact O-N 2.92Å; G583-N587 PolarHBondContact O-N 2.75Å; G583-E637 VanDerWaalsContact CA-OE1 3.28Å; G583-E637 WeakPolarHBondContact CA-OE1 3.39Å |
| 584 | W | 89.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.015 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.1 | -34.5 | -176.5 | 83.3 | -99 | 0 | 0 | 0 | 112.4 | W567 Y568 N587 L588 T613 A614 V630 E637 | W567-W584 AromaticContact CD1-CE2 3.6Å; W567-W584 AromaticContact CD1-CH2 3.97Å; W567-W584 AromaticContact CD1-CZ2 3.49Å; W567-W584 VanDerWaalsContact CD1-CZ2 3.49Å; W567-W584 AromaticContact CD1-NE1 3.92Å; W567-W584 AromaticContact CD2-NE1 3.83Å; W567-W584 AromaticContact CE2-CD1 3.55Å; W567-W584 AromaticContact CE2-CD2 3.76Å; W567-W584 AromaticContact CE2-CE2 3.7Å; W567-W584 AromaticContact CE2-CG 3.7Å; W567-W584 AromaticContact CE2-NE1 3.52Å; W567-W584 HydrophobicContact CG-CZ2 4.29Å; W567-W584 HydrophobicContact CH2-CB 4.36Å; W567-W584 AromaticContact CH2-CD1 3.95Å; W567-W584 HydrophobicContact CH2-CG 4.24Å; W567-W584 HydrophobicContact CZ2-CB 3.71Å; W567-W584 AromaticContact CZ2-CD1 3.46Å; W567-W584 VanDerWaalsContact CZ2-CD1 3.46Å; W567-W584 AromaticContact CZ2-CD2 3.97Å; W567-W584 HydrophobicContact CZ2-CD2 3.97Å; W567-W584 AromaticContact CZ2-CG 3.45Å; W567-W584 HydrophobicContact CZ2-CG 3.45Å; W567-W584 VanDerWaalsContact CZ2-CG 3.45Å; W567-W584 AromaticContact CZ2-NE1 3.95Å; W567-W584 AromaticContact NE1-CD1 3.92Å; W567-W584 AromaticContact NE1-CD2 3.36Å; W567-W584 AromaticContact NE1-CE2 3.22Å; W567-W584 AromaticContact NE1-CE3 3.75Å; W567-W584 AromaticContact NE1-CG 3.84Å; W567-W584 AromaticContact NE1-CH2 3.92Å; W567-W584 AromaticContact NE1-CZ2 3.53Å; W567-W584 AromaticContact NE1-NE1 3.55Å; W567-W584 PolarHBondContact O-NE1 3.07Å; Y568-W584 HydrophobicContact CD2-CZ2 4.35Å; W584-N587 PolarHBondContact O-N 2.68Å; W584-L588 HydrophobicContact CZ3-CD2 3.92Å; W584-L588 WeakPolarHBondContact O-CB 3.39Å; W584-L588 PolarHBondContact O-N 2.86Å; W584-T613 HydrophobicContact CZ3-CG2 3.86Å; W584-A614 HydrophobicContact CH2-CB 3.93Å; W584-A614 HydrophobicContact CZ2-CB 4.36Å; W584-V630 HydrophobicContact CE3-CG1 4.05Å; W584-E637 VanDerWaalsContact CD1-OE1 3.23Å; W584-E637 PolarHBondContact N-OE1 3.23Å |
| 585 | L | 86.9 | Confident | 79.2 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.8 | -29.6 | -179.5 | -176.1 | 59.6 | 0 | 0 | 0 | 113.3 | Y568 K575 G583 A589 Y596 P605 K610 | Y568-L585 HydrophobicContact CE2-CD2 4.46Å; K575-L585 HydrophobicContact CD-CD2 4.46Å; G583-L585 PolarHBondContact O-N 3.35Å; G583-L585 VanDerWaalsContact O-N 3.13Å; L585-A589 PolarHBondContact O-N 3.42Å; L585-Y596 WeakPolarHBondContact CD1-OH 3.31Å; L585-Y596 HydrophobicContact CG-CE2 4.19Å; L585-Y596 WeakPolarHBondContact CG-OH 3.45Å; L585-P605 HydrophobicContact CD1-CG 4.5Å; L585-K610 HydrophobicContact CD1-CG 3.96Å |
| 586 | D | 85.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 10% | 0.102 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -77.4 | -39.3 | 170.8 | -80.6 | -45.6 | 0 | 0 | 0 | 110.8 | K581 G583 L588 A589 L590 Y596 | K581-D586 WeakPolarHBondContact CA-OD2 3.46Å; K581-D586 HydrophobicContact CB-CB 4.14Å; K581-D586 WeakPolarHBondContact CB-OD2 3.4Å; G583-D586 PolarHBondContact O-N 2.92Å; D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 3.5Å; D586-A589 WeakPolarHBondContact O-CB 3.44Å; D586-A589 PolarHBondContact O-N 3.18Å; D586-A589 VanDerWaalsContact O-N 3.09Å; D586-L590 WeakPolarHBondContact O-CG 3.42Å; D586-L590 PolarHBondContact O-N 3.47Å; D586-Y596 VanDerWaalsContact OD1-CD2 3.29Å; D586-Y596 WeakPolarHBondContact OD1-CD2 3.28Å |
| 587 | N | 86.3 | Confident | 79.2 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 173.5 | -165.4 | 10.2 | 0 | 0 | 0 | 111.3 | G583 W584 A589 L590 S591 | G583-N587 PolarHBondContact O-N 2.75Å; W584-N587 PolarHBondContact O-N 2.68Å; N587-A589 PolarHBondContact O-N 2.66Å; N587-L590 WeakPolarHBondContact O-CB 3.47Å; N587-L590 PolarHBondContact O-N 3.41Å; N587-S591 PolarHBondContact O-N 3.07Å; N587-S591 PolarHBondContact O-OG 2.99Å |
| 588 | L | 87.4 | Confident | 78.9 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 172 | -175.5 | 61.5 | 0 | 0 | 0 | 113.1 | W584 D586 L590 S591 I592 T613 | W584-L588 HydrophobicContact CZ3-CD2 3.92Å; W584-L588 WeakPolarHBondContact O-CB 3.39Å; W584-L588 PolarHBondContact O-N 2.86Å; D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 3.5Å; L588-L590 PolarHBondContact O-N 3.01Å; L588-S591 PolarHBondContact O-N 3.41Å; L588-S591 PolarHBondContact O-OG 2.91Å; L588-I592 HydrophobicContact CD1-CD1 3.44Å; L588-I592 VanDerWaalsContact CD1-CD1 3.44Å; L588-I592 HydrophobicContact CD1-CG1 3.92Å; L588-I592 HydrophobicContact CG-CD1 3.94Å; L588-I592 WeakPolarHBondContact O-CB 3.28Å; L588-I592 PolarHBondContact O-N 3.16Å; L588-T613 HydrophobicContact CD1-CG2 3.77Å; L588-T613 HydrophobicContact CD2-CG2 3.94Å; L588-T613 HydrophobicContact CG-CG2 4.42Å |
| 589 | A | 84.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -27.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L585 D586 N587 G593 K594 R595 Y596 P605 | L585-A589 PolarHBondContact O-N 3.42Å; D586-A589 WeakPolarHBondContact O-CB 3.44Å; D586-A589 PolarHBondContact O-N 3.18Å; D586-A589 VanDerWaalsContact O-N 3.09Å; N587-A589 PolarHBondContact O-N 2.66Å; A589-G593 CarbonylContact O-C 3.4Å; A589-G593 PolarHBondContact O-N 3.07Å; A589-K594 WeakPolarHBondContact CB-O 3.32Å; A589-K594 CarbonylContact O-C 3.56Å; A589-K594 PolarHBondContact O-N 3.35Å; A589-K594 VanDerWaalsContact O-N 3.13Å; A589-R595 PolarHBondContact O-N 3.02Å; A589-Y596 HydrophobicContact CB-CD2 3.79Å; A589-Y596 HydrophobicContact CB-CE2 3.69Å; A589-P605 HydrophobicContact CB-CG 4.27Å |
| 590 | L | 84.4 | Confident | 78.9 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.6 | -48.4 | 171.9 | -67.9 | 171.1 | 0 | 0 | 0 | 112 | D586 N587 L588 G593 R595 | D586-L590 WeakPolarHBondContact O-CG 3.42Å; D586-L590 PolarHBondContact O-N 3.47Å; N587-L590 WeakPolarHBondContact O-CB 3.47Å; N587-L590 PolarHBondContact O-N 3.41Å; L588-L590 PolarHBondContact O-N 3.01Å; L590-G593 PolarHBondContact O-N 3.48Å; L590-G593 VanDerWaalsContact O-N 3.08Å; L590-R595 HydrophobicContact CD2-CG 4.22Å |
| 591 | S | 84 | Confident | 78.7 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.8 | -32.2 | -175.9 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | N587 L588 G593 | N587-S591 PolarHBondContact O-N 3.07Å; N587-S591 PolarHBondContact O-OG 2.99Å; L588-S591 PolarHBondContact O-N 3.41Å; L588-S591 PolarHBondContact O-OG 2.91Å; S591-G593 VanDerWaalsContact C-N 3.32Å |
| 592 | I | 84.9 | Confident | 78.4 | Confident | 66 Ų | 66 | 70 Ų | 70 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.9 | 172.3 | -62 | -179.3 | 0 | 0 | 0 | 111.6 | L588 K594 D609 | L588-I592 HydrophobicContact CD1-CD1 3.44Å; L588-I592 VanDerWaalsContact CD1-CD1 3.44Å; L588-I592 HydrophobicContact CD1-CG1 3.92Å; L588-I592 HydrophobicContact CG-CD1 3.94Å; L588-I592 WeakPolarHBondContact O-CB 3.28Å; L588-I592 PolarHBondContact O-N 3.16Å; I592-K594 HydrophobicContact CG2-CB 4.47Å; I592-K594 HydrophobicContact CG2-CD 3.69Å; I592-K594 HydrophobicContact CG2-CG 3.94Å; I592-K594 PolarHBondContact O-N 3.08Å; I592-D609 HydrophobicContact CD1-CB 4.02Å |
| 593 | G | 79.7 | Confident | 77.8 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 74.3 | -6.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A589 L590 S591 R595 | A589-G593 CarbonylContact O-C 3.4Å; A589-G593 PolarHBondContact O-N 3.07Å; L590-G593 PolarHBondContact O-N 3.48Å; L590-G593 VanDerWaalsContact O-N 3.08Å; S591-G593 VanDerWaalsContact C-N 3.32Å; G593-R595 PolarHBondContact O-N 2.72Å; G593-R595 VanDerWaalsContact O-N 3.09Å |
| 594 | K | 81.4 | Confident | 77.5 | Confident | 87 Ų | 87 | 68 Ų | 68 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | trans | -84.4 | 70.1 | 179.7 | -63 | 172.8 | -168.2 | 177.2 | 0 | 111.3 | A589 I592 G604 P605 D609 | A589-K594 WeakPolarHBondContact CB-O 3.32Å; A589-K594 CarbonylContact O-C 3.56Å; A589-K594 PolarHBondContact O-N 3.35Å; A589-K594 VanDerWaalsContact O-N 3.13Å; I592-K594 HydrophobicContact CG2-CB 4.47Å; I592-K594 HydrophobicContact CG2-CD 3.69Å; I592-K594 HydrophobicContact CG2-CG 3.94Å; I592-K594 PolarHBondContact O-N 3.08Å; K594-G604 CarbonylContact O-C 3.21Å; K594-G604 WeakPolarHBondContact O-CA 3.28Å; K594-P605 WeakPolarHBondContact O-CD 3.42Å; K594-D609 IonicContact NZ-OD1 2.71Å; K594-D609 IonicContact NZ-OD2 2.79Å; K594-D609 PolarHBondContact NZ-OD2 3.39Å | ||
| 595 | R | 76 | Confident | 77.3 | Confident | 182 Ų | 182 | 68 Ų | 68 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | trans | -63.6 | 146.1 | -176.9 | -65.6 | -174.5 | 177.4 | -164.5 | -3.4 | 113.1 | A589 L590 G593 N597 | A589-R595 PolarHBondContact O-N 3.02Å; L590-R595 HydrophobicContact CD2-CG 4.22Å; G593-R595 PolarHBondContact O-N 2.72Å; G593-R595 VanDerWaalsContact O-N 3.09Å; R595-N597 PolarHBondContact O-N 3Å | ||
| 596 | Y | 74.4 | Confident | 77.2 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 9% | 0.086 | 39% | 0.389 | C | S | . | . | trans | -73.8 | 109.5 | 170.8 | -67.7 | -69.4 | 0 | 0 | 0 | 111.8 | K581 L585 D586 A589 S603 K610 | K581-Y596 PolarHBondContact NZ-O 2.72Å; L585-Y596 WeakPolarHBondContact CD1-OH 3.31Å; L585-Y596 HydrophobicContact CG-CE2 4.19Å; L585-Y596 WeakPolarHBondContact CG-OH 3.45Å; D586-Y596 VanDerWaalsContact OD1-CD2 3.29Å; D586-Y596 WeakPolarHBondContact OD1-CD2 3.28Å; A589-Y596 HydrophobicContact CB-CD2 3.79Å; A589-Y596 HydrophobicContact CB-CE2 3.69Å; Y596-S603 WeakPolarHBondContact CD1-O 3.3Å; Y596-K610 WeakPolarHBondContact OH-CE 3.39Å | ||
| 597 | N | 74.8 | Confident | 77.1 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | trans | -81.4 | 141 | 161.1 | -170.3 | 12.9 | 0 | 0 | 0 | 109.8 | R595 S599 D600 | R595-N597 PolarHBondContact O-N 3Å; N597-S599 PolarHBondContact OD1-N 2.89Å; N597-D600 PolarHBondContact ND2-OD2 3.47Å | ||
| 598 | Y | 64.5 | Low | 77.2 | Confident | 174 Ų | 174 | 76.3 Ų | 76.3 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -84.5 | -17.8 | 175.1 | -70.8 | -75.1 | 0 | 0 | 0 | 113 | K581 | K581-Y598 WeakPolarHBondContact CE-OH 3.48Å; K581-Y598 VanDerWaalsContact NZ-CE2 3.29Å |
| 599 | S | 67.3 | Low | 77.2 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 69% | 0.685 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -77.3 | -21.5 | 177.2 | -48.1 | 0 | 0 | 0 | 0 | 113.8 | N597 | N597-S599 PolarHBondContact OD1-N 2.89Š|
| 600 | D | 64 | Low | 77.4 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | trans | -125 | 106.9 | -174.2 | -68.2 | -67.2 | 0 | 0 | 0 | 110.6 | N597 N602 S603 | N597-D600 PolarHBondContact ND2-OD2 3.47Å; D600-N602 PolarHBondContact O-N 3.07Å; D600-N602 VanDerWaalsContact O-N 3.15Å; D600-S603 WeakPolarHBondContact CB-OG 3.45Å; D600-S603 VanDerWaalsContact O-CB 3.31Å; D600-S603 WeakPolarHBondContact O-CB 3.46Å; D600-S603 PolarHBondContact O-N 3.27Å | ||
| 601 | P | 62.4 | Low | 77.8 | Confident | 110 Ų | 110 | 77.3 Ų | 77.3 | 71% | 0.714 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23 | -177.4 | 24.8 | -33.8 | 0 | 0 | 0 | 113.6 | S603 | P601-S603 VanDerWaalsContact C-N 3.3Å; P601-S603 PolarHBondContact O-N 3.33Å |
| 602 | N | 63.1 | Low | 78.2 | Confident | 129 Ų | 129 | 76.7 Ų | 76.7 | 69% | 0.69 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.5 | 175.1 | -68 | 77.1 | 0 | 0 | 0 | 113.8 | E434 D600 | E434-N602 PolarHBondContact OE2-ND2 2.94Å; D600-N602 PolarHBondContact O-N 3.07Å; D600-N602 VanDerWaalsContact O-N 3.15Å |
| 603 | S | 68.6 | Low | 78.6 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | trans | -74.7 | 135.5 | 176.2 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | Y596 D600 P601 | Y596-S603 WeakPolarHBondContact CD1-O 3.3Å; D600-S603 WeakPolarHBondContact CB-OG 3.45Å; D600-S603 VanDerWaalsContact O-CB 3.31Å; D600-S603 WeakPolarHBondContact O-CB 3.46Å; D600-S603 PolarHBondContact O-N 3.27Å; P601-S603 VanDerWaalsContact C-N 3.3Å; P601-S603 PolarHBondContact O-N 3.33Å | ||
| 604 | G | 79.4 | Confident | 79.2 | Confident | 20 Ų | 20 | 72 Ų | 72 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 141.1 | -178.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K594 | K594-G604 CarbonylContact O-C 3.21Å; K594-G604 WeakPolarHBondContact O-CA 3.28Å |
| 605 | P | 84.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -61.8 | 145.4 | 165.8 | 26.8 | -34.3 | 0 | 0 | 0 | 111.3 | L585 A589 K594 D609 K610 | L585-P605 HydrophobicContact CD1-CG 4.5Å; A589-P605 HydrophobicContact CB-CG 4.27Å; K594-P605 WeakPolarHBondContact O-CD 3.42Å; P605-D609 HydrophobicContact CB-CB 4.15Å; P605-K610 HydrophobicContact CB-CG 4.4Å; P605-K610 HydrophobicContact CG-CG 4.2Å; P605-K610 WeakPolarHBondContact O-CE 3.46Å |
| 606 | S | 84.9 | Confident | 80.6 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | trans | -71.4 | 162.1 | -177.5 | 74 | 0 | 0 | 0 | 0 | 111.8 | K608 D609 K610 | S606-K608 PolarHBondContact O-N 2.76Å; S606-D609 WeakPolarHBondContact CB-OD2 3.46Å; S606-D609 PolarHBondContact N-OD2 3.27Å; S606-D609 WeakPolarHBondContact O-CB 3.18Å; S606-D609 PolarHBondContact O-N 2.86Å; S606-D609 PolarHBondContact OG-N 3.45Å; S606-D609 PolarHBondContact OG-OD1 2.85Å; S606-D609 PolarHBondContact OG-OD2 3.42Å; S606-K610 VanDerWaalsContact O-CG 3.3Å; S606-K610 WeakPolarHBondContact O-CG 3.42Å; S606-K610 PolarHBondContact O-N 3.06Å | ||
| 607 | I | 83.6 | Confident | 81.4 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.277 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.4 | -37.2 | 176.3 | -56.5 | 164.1 | 0 | 0 | 0 | 110.9 | F428 D432 Y611 | F428-I607 HydrophobicContact CB-CG2 4.39Å; F428-I607 HydrophobicContact CD1-CG2 4.05Å; D432-I607 WeakPolarHBondContact OD2-CD1 3.42Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.33Å; I607-Y611 PolarHBondContact O-N 3.04Å |
| 608 | K | 86.8 | Confident | 82.1 | Confident | 160 Ų | 160 | 61.1 Ų | 61.1 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -47.6 | 174.2 | -175.6 | -179.1 | 177.5 | -175.5 | 0 | 111.7 | S606 Y611 V612 | S606-K608 PolarHBondContact O-N 2.76Å; K608-Y611 PolarHBondContact O-N 2.75Å; K608-V612 HydrophobicContact CG-CG2 4.36Å; K608-V612 WeakPolarHBondContact O-CB 3.48Å; K608-V612 VanDerWaalsContact O-CG2 3.28Å; K608-V612 WeakPolarHBondContact O-CG2 2.83Å; K608-V612 PolarHBondContact O-N 3.32Å |
| 609 | D | 88.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 178.4 | -52 | -34.6 | 0 | 0 | 0 | 109.9 | I592 K594 P605 S606 Y611 V612 T613 | I592-D609 HydrophobicContact CD1-CB 4.02Å; K594-D609 IonicContact NZ-OD1 2.71Å; K594-D609 IonicContact NZ-OD2 2.79Å; K594-D609 PolarHBondContact NZ-OD2 3.39Å; P605-D609 HydrophobicContact CB-CB 4.15Å; S606-D609 WeakPolarHBondContact CB-OD2 3.46Å; S606-D609 PolarHBondContact N-OD2 3.27Å; S606-D609 WeakPolarHBondContact O-CB 3.18Å; S606-D609 PolarHBondContact O-N 2.86Å; S606-D609 PolarHBondContact OG-N 3.45Å; S606-D609 PolarHBondContact OG-OD1 2.85Å; S606-D609 PolarHBondContact OG-OD2 3.42Å; D609-Y611 PolarHBondContact O-N 2.88Å; D609-V612 PolarHBondContact O-N 3.48Å; D609-T613 WeakPolarHBondContact O-CB 3.5Å; D609-T613 PolarHBondContact O-N 2.91Å; D609-T613 PolarHBondContact O-OG1 3.39Å; D609-T613 VanDerWaalsContact O-OG1 3.05Å |
| 610 | K | 89 | Confident | 84.3 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54 | -50.9 | 177.7 | -69.6 | 162.5 | 166.5 | -178.7 | 0 | 112.5 | F428 Y568 L585 Y596 P605 S606 A614 | F428-K610 HydrophobicContact CE1-CB 4.36Å; Y568-K610 HydrophobicContact CD2-CB 4.27Å; Y568-K610 HydrophobicContact CE2-CB 4Å; Y568-K610 HydrophobicContact CE2-CD 3.76Å; Y568-K610 HydrophobicContact CE2-CG 4.11Å; Y568-K610 PolarHBondContact OH-NZ 2.91Å; L585-K610 HydrophobicContact CD1-CG 3.96Å; Y596-K610 WeakPolarHBondContact OH-CE 3.39Å; P605-K610 HydrophobicContact CB-CG 4.4Å; P605-K610 HydrophobicContact CG-CG 4.2Å; P605-K610 WeakPolarHBondContact O-CE 3.46Å; S606-K610 VanDerWaalsContact O-CG 3.3Å; S606-K610 WeakPolarHBondContact O-CG 3.42Å; S606-K610 PolarHBondContact O-N 3.06Å; K610-A614 WeakPolarHBondContact O-CB 3.39Å; K610-A614 PolarHBondContact O-N 3.27Å |
| 611 | Y | 92.5 | Very high | 85.3 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | -178.3 | 172.4 | -107 | 0 | 0 | 0 | 112.3 | Y424 F428 H561 I607 K608 D609 T613 A614 L615 | Y424-Y611 HydrophobicContact CD2-CD2 4.02Å; Y424-Y611 HydrophobicContact CD2-CE2 4.09Å; Y424-Y611 HydrophobicContact CE2-CD2 4.03Å; Y424-Y611 HydrophobicContact CE2-CE2 4.44Å; Y424-Y611 HydrophobicContact CE2-CG 4.17Å; F428-Y611 AromaticContact CE2-CD2 3.8Å; F428-Y611 HydrophobicContact CE2-CD2 3.8Å; F428-Y611 AromaticContact CZ-CD2 3.78Å; F428-Y611 HydrophobicContact CZ-CD2 3.78Å; F428-Y611 HydrophobicContact CZ-CG 4.36Å; H561-Y611 AromaticContact CE1-CE2 3.7Å; H561-Y611 AromaticContact ND1-CE2 3.52Å; H561-Y611 AromaticContact ND1-CZ 3.79Å; H561-Y611 PolarHBondContact ND1-OH 3.22Å; H561-Y611 VanDerWaalsContact ND1-OH 3.15Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.33Å; I607-Y611 PolarHBondContact O-N 3.04Å; K608-Y611 PolarHBondContact O-N 2.75Å; D609-Y611 PolarHBondContact O-N 2.88Å; Y611-T613 VanDerWaalsContact C-N 3.35Å; Y611-T613 PolarHBondContact O-N 2.76Å; Y611-A614 PolarHBondContact O-N 2.89Å; Y611-L615 HydrophobicContact CE1-CD1 4.49Å; Y611-L615 HydrophobicContact CE2-CD1 4.32Å; Y611-L615 WeakPolarHBondContact O-CB 3.44Å; Y611-L615 PolarHBondContact O-N 3.46Å |
| 612 | V | 93.1 | Very high | 86.2 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 47% | 0.473 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | K608 D609 L615 Y616 | K608-V612 HydrophobicContact CG-CG2 4.36Å; K608-V612 WeakPolarHBondContact O-CB 3.48Å; K608-V612 VanDerWaalsContact O-CG2 3.28Å; K608-V612 WeakPolarHBondContact O-CG2 2.83Å; K608-V612 PolarHBondContact O-N 3.32Å; D609-V612 PolarHBondContact O-N 3.48Å; V612-L615 PolarHBondContact O-N 3.36Å; V612-Y616 VanDerWaalsContact O-CB 3.27Å; V612-Y616 WeakPolarHBondContact O-CB 3.43Å; V612-Y616 PolarHBondContact O-N 2.77Å |
| 613 | T | 92.2 | Very high | 87.3 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 175.4 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | W584 L588 D609 Y611 L615 Y616 F617 V630 | W584-T613 HydrophobicContact CZ3-CG2 3.86Å; L588-T613 HydrophobicContact CD1-CG2 3.77Å; L588-T613 HydrophobicContact CD2-CG2 3.94Å; L588-T613 HydrophobicContact CG-CG2 4.42Å; D609-T613 WeakPolarHBondContact O-CB 3.5Å; D609-T613 PolarHBondContact O-N 2.91Å; D609-T613 PolarHBondContact O-OG1 3.39Å; D609-T613 VanDerWaalsContact O-OG1 3.05Å; Y611-T613 VanDerWaalsContact C-N 3.35Å; Y611-T613 PolarHBondContact O-N 2.76Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.2Å; T613-Y616 PolarHBondContact O-N 3.17Å; T613-F617 PolarHBondContact O-N 3.02Å; T613-V630 HydrophobicContact CG2-CG2 3.49Å; T613-V630 VanDerWaalsContact CG2-CG2 3.49Å |
| 614 | A | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A564 W584 K610 Y611 F617 T618 | A564-A614 HydrophobicContact CB-CB 4.12Å; W584-A614 HydrophobicContact CH2-CB 3.93Å; W584-A614 HydrophobicContact CZ2-CB 4.36Å; K610-A614 WeakPolarHBondContact O-CB 3.39Å; K610-A614 PolarHBondContact O-N 3.27Å; Y611-A614 PolarHBondContact O-N 2.89Å; A614-F617 PolarHBondContact O-N 2.96Å; A614-T618 PolarHBondContact O-N 3.31Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 2.91Å |
| 615 | L | 93.4 | Very high | 88.2 | Confident | 42 Ų | 42 | 48 Ų | 48 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 178.8 | -175.5 | 131.8 | 0 | 0 | 0 | 112.3 | H561 A564 Y611 V612 T613 T618 F619 | H561-L615 HydrophobicContact CB-CD1 4.48Å; A564-L615 HydrophobicContact CB-CB 4.05Å; Y611-L615 HydrophobicContact CE1-CD1 4.49Å; Y611-L615 HydrophobicContact CE2-CD1 4.32Å; Y611-L615 WeakPolarHBondContact O-CB 3.44Å; Y611-L615 PolarHBondContact O-N 3.46Å; V612-L615 PolarHBondContact O-N 3.36Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.2Å; L615-T618 PolarHBondContact O-OG1 2.99Å; L615-F619 HydrophobicContact CD1-CE2 4.27Å; L615-F619 HydrophobicContact CD2-CD2 3.67Å; L615-F619 HydrophobicContact CD2-CE2 3.74Å; L615-F619 HydrophobicContact CG-CD2 3.8Å; L615-F619 HydrophobicContact CG-CE2 3.88Å; L615-F619 WeakPolarHBondContact O-CB 3.34Å; L615-F619 WeakPolarHBondContact O-CD2 3.3Å; L615-F619 PolarHBondContact O-N 3.41Å |
| 616 | Y | 92.9 | Very high | 88.1 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 170.7 | 166.4 | -102.9 | 0 | 0 | 0 | 112 | V612 T613 S620 F627 N629 V630 | V612-Y616 VanDerWaalsContact O-CB 3.27Å; V612-Y616 WeakPolarHBondContact O-CB 3.43Å; V612-Y616 PolarHBondContact O-N 2.77Å; T613-Y616 PolarHBondContact O-N 3.17Å; Y616-S620 WeakPolarHBondContact O-CB 3.26Å; Y616-S620 PolarHBondContact O-N 3.47Å; Y616-S620 PolarHBondContact O-OG 3.31Å; Y616-F627 AromaticContact CE2-CD2 3.83Å; Y616-F627 HydrophobicContact CE2-CD2 3.83Å; Y616-F627 HydrophobicContact CE2-CE2 4.05Å; Y616-F627 AromaticContact CZ-CD2 3.73Å; Y616-F627 VanDerWaalsContact OH-CB 3.29Å; Y616-F627 WeakPolarHBondContact OH-CB 3.38Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.27Å; Y616-F627 WeakPolarHBondContact OH-CG 3.45Å; Y616-N629 HydrophobicContact CE1-CB 4.18Å; Y616-N629 PolarHBondContact OH-ND2 2.99Å; Y616-V630 HydrophobicContact CD1-CG2 4.43Å |
| 617 | F | 91.1 | Very high | 88.1 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -56 | 175.8 | 174.4 | -110.2 | 0 | 0 | 0 | 110.7 | W567 T613 A614 F619 S620 S621 V630 | W567-F617 AromaticContact CD1-CD1 3.8Å; W567-F617 AromaticContact CD2-CD1 3.76Å; W567-F617 HydrophobicContact CD2-CD1 3.76Å; W567-F617 AromaticContact CD2-CE1 3.67Å; W567-F617 HydrophobicContact CD2-CE1 3.67Å; W567-F617 AromaticContact CE2-CD1 3.46Å; W567-F617 VanDerWaalsContact CE2-CD1 3.46Å; W567-F617 AromaticContact CE2-CE1 3.53Å; W567-F617 HydrophobicContact CE3-CD1 4.47Å; W567-F617 AromaticContact CE3-CE1 3.92Å; W567-F617 HydrophobicContact CE3-CE1 3.92Å; W567-F617 AromaticContact CG-CD1 3.95Å; W567-F617 HydrophobicContact CG-CD1 3.95Å; W567-F617 HydrophobicContact CG-CE1 4.27Å; W567-F617 AromaticContact CH2-CE1 3.85Å; W567-F617 HydrophobicContact CH2-CE1 3.85Å; W567-F617 AromaticContact CH2-CZ 3.98Å; W567-F617 HydrophobicContact CH2-CZ 3.98Å; W567-F617 AromaticContact CZ2-CD1 3.91Å; W567-F617 HydrophobicContact CZ2-CD1 3.91Å; W567-F617 AromaticContact CZ2-CE1 3.63Å; W567-F617 HydrophobicContact CZ2-CE1 3.63Å; W567-F617 HydrophobicContact CZ2-CE2 4.45Å; W567-F617 HydrophobicContact CZ2-CG 4.43Å; W567-F617 AromaticContact CZ2-CZ 3.94Å; W567-F617 HydrophobicContact CZ2-CZ 3.94Å; W567-F617 AromaticContact CZ3-CE1 3.98Å; W567-F617 HydrophobicContact CZ3-CE1 3.98Å; W567-F617 HydrophobicContact CZ3-CZ 4.39Å; W567-F617 AromaticContact NE1-CD1 3.5Å; W567-F617 AromaticContact NE1-CG 3.99Å; T613-F617 PolarHBondContact O-N 3.02Å; A614-F617 PolarHBondContact O-N 2.96Å; F617-F619 PolarHBondContact O-N 3.29Å; F617-S620 PolarHBondContact O-N 3.01Å; F617-S620 VanDerWaalsContact O-N 3.07Å; F617-S620 PolarHBondContact O-OG 3.39Å; F617-S621 PolarHBondContact O-N 3.45Å; F617-S621 PolarHBondContact O-OG 2.83Å; F617-S621 VanDerWaalsContact O-OG 3.12Å; F617-V630 HydrophobicContact CB-CB 4.25Å; F617-V630 HydrophobicContact CB-CG1 4.13Å; F617-V630 HydrophobicContact CD2-CB 3.95Å; F617-V630 HydrophobicContact CD2-CG1 3.94Å; F617-V630 WeakPolarHBondContact CD2-O 3.43Å; F617-V630 WeakPolarHBondContact CE2-O 3.47Å; F617-V630 HydrophobicContact CG-CB 4.41Å; F617-V630 HydrophobicContact CG-CG1 4.12Å |
| 618 | T | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | A560 L563 A564 A614 L615 S621 L622 | A560-T618 PolarHBondContact O-OG1 2.89Å; L563-T618 HydrophobicContact CB-CG2 3.81Å; A564-T618 HydrophobicContact CB-CG2 4.35Å; A614-T618 PolarHBondContact O-N 3.31Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 2.91Å; L615-T618 PolarHBondContact O-OG1 2.99Å; T618-S621 PolarHBondContact O-N 2.97Å; T618-L622 WeakPolarHBondContact O-CB 3.48Å; T618-L622 VanDerWaalsContact O-CG 3.25Å; T618-L622 WeakPolarHBondContact O-CG 3.48Å; T618-L622 PolarHBondContact O-N 2.91Å |
| 619 | F | 88.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 26% | 0.263 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 168.7 | -92.7 | -69.1 | 0 | 0 | 0 | 111.4 | F556 A557 A560 L615 F617 S621 L622 T623 | F556-F619 HydrophobicContact CD1-CE1 4.37Å; F556-F619 HydrophobicContact CE1-CD1 4.26Å; F556-F619 AromaticContact CE1-CE1 3.85Å; F556-F619 HydrophobicContact CE1-CE1 3.85Å; F556-F619 HydrophobicContact CE2-CD1 4.46Å; F556-F619 HydrophobicContact CE2-CE1 4.33Å; F556-F619 AromaticContact CZ-CD1 3.88Å; F556-F619 HydrophobicContact CZ-CD1 3.88Å; F556-F619 AromaticContact CZ-CE1 3.83Å; F556-F619 HydrophobicContact CZ-CE1 3.83Å; A557-F619 HydrophobicContact CB-CZ 4.37Å; A560-F619 HydrophobicContact CB-CD1 3.95Å; A560-F619 HydrophobicContact CB-CD2 3.85Å; A560-F619 HydrophobicContact CB-CE1 3.72Å; A560-F619 HydrophobicContact CB-CE2 3.6Å; A560-F619 HydrophobicContact CB-CG 4.02Å; A560-F619 HydrophobicContact CB-CZ 3.54Å; L615-F619 HydrophobicContact CD1-CE2 4.27Å; L615-F619 HydrophobicContact CD2-CD2 3.67Å; L615-F619 HydrophobicContact CD2-CE2 3.74Å; L615-F619 HydrophobicContact CG-CD2 3.8Å; L615-F619 HydrophobicContact CG-CE2 3.88Å; L615-F619 WeakPolarHBondContact O-CB 3.34Å; L615-F619 WeakPolarHBondContact O-CD2 3.3Å; L615-F619 PolarHBondContact O-N 3.41Å; F617-F619 PolarHBondContact O-N 3.29Å; F619-S621 VanDerWaalsContact C-N 3.27Å; F619-S621 PolarHBondContact O-N 3.42Å; F619-L622 PolarHBondContact O-N 3.08Å; F619-T623 WeakPolarHBondContact O-CG2 3.4Å; F619-T623 PolarHBondContact O-N 3.35Å; F619-T623 PolarHBondContact O-OG1 3.34Å |
| 620 | S | 88.3 | Confident | 87.7 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -28.9 | -179.5 | 77.1 | 0 | 0 | 0 | 0 | 113.8 | Y616 F617 V625 G626 | Y616-S620 WeakPolarHBondContact O-CB 3.26Å; Y616-S620 PolarHBondContact O-N 3.47Å; Y616-S620 PolarHBondContact O-OG 3.31Å; F617-S620 PolarHBondContact O-N 3.01Å; F617-S620 VanDerWaalsContact O-N 3.07Å; F617-S620 PolarHBondContact O-OG 3.39Å; S620-V625 PolarHBondContact O-N 2.88Å; S620-G626 PolarHBondContact O-N 3.39Å |
| 621 | S | 85.5 | Confident | 87.6 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.9 | -46.5 | 171.9 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | F617 T618 F619 T623 S624 | F617-S621 PolarHBondContact O-N 3.45Å; F617-S621 PolarHBondContact O-OG 2.83Å; F617-S621 VanDerWaalsContact O-OG 3.12Å; T618-S621 PolarHBondContact O-N 2.97Å; F619-S621 VanDerWaalsContact C-N 3.27Å; F619-S621 PolarHBondContact O-N 3.42Å; S621-T623 PolarHBondContact O-N 3.45Å; S621-S624 PolarHBondContact O-N 2.91Å; S621-S624 VanDerWaalsContact O-N 3.09Å |
| 622 | L | 82.2 | Confident | 87.4 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.5 | -31.7 | -178.4 | -73.4 | 171.4 | 0 | 0 | 0 | 113.4 | F556 I559 A560 L563 T618 F619 | F556-L622 HydrophobicContact CE2-CB 3.99Å; F556-L622 HydrophobicContact CE2-CD1 4.15Å; I559-L622 HydrophobicContact CG2-CD1 4.27Å; A560-L622 HydrophobicContact CB-CD1 3.66Å; L563-L622 HydrophobicContact CD1-CD1 4.18Å; L563-L622 HydrophobicContact CD1-CD2 4.01Å; L563-L622 HydrophobicContact CD1-CG 4.31Å; T618-L622 WeakPolarHBondContact O-CB 3.48Å; T618-L622 VanDerWaalsContact O-CG 3.25Å; T618-L622 WeakPolarHBondContact O-CG 3.48Å; T618-L622 PolarHBondContact O-N 2.91Å; F619-L622 PolarHBondContact O-N 3.08Å |
| 623 | T | 84.5 | Confident | 87.2 | Confident | 59 Ų | 59 | 49 Ų | 49 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.1 | 172.5 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | F556 F619 S621 V625 | F556-T623 HydrophobicContact CZ-CG2 3.91Å; F619-T623 WeakPolarHBondContact O-CG2 3.4Å; F619-T623 PolarHBondContact O-N 3.35Å; F619-T623 PolarHBondContact O-OG1 3.34Å; S621-T623 PolarHBondContact O-N 3.45Å; T623-V625 PolarHBondContact O-N 3.01Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.27Å |
| 624 | S | 80.7 | Confident | 87.1 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 79% | 0.79 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 19.6 | -177 | 60.9 | 0 | 0 | 0 | 0 | 115.8 | S621 | S621-S624 PolarHBondContact O-N 2.91Å; S621-S624 VanDerWaalsContact O-N 3.09Å |
| 625 | V | 87.2 | Confident | 86.9 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | trans | -83.2 | -35.6 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | S620 T623 F627 | S620-V625 PolarHBondContact O-N 2.88Å; T623-V625 PolarHBondContact O-N 3.01Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.27Å; V625-F627 HydrophobicContact CB-CE2 4.4Å; V625-F627 HydrophobicContact CB-CZ 4.49Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 4.11Å; V625-F627 HydrophobicContact CG1-CE1 3.56Å; V625-F627 HydrophobicContact CG1-CE2 3.73Å; V625-F627 HydrophobicContact CG1-CG 4.21Å; V625-F627 HydrophobicContact CG1-CZ 3.45Å; V625-F627 VanDerWaalsContact CG1-CZ 3.45Å; V625-F627 PolarHBondContact O-N 2.83Å | ||
| 626 | G | 81.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | trans | 58 | 44 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | S620 G628 | S620-G626 PolarHBondContact O-N 3.39Å; G626-G628 PolarHBondContact O-N 3.34Å | ||
| 627 | F | 84.8 | Confident | 86.7 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | trans | -53.1 | -10.7 | -173.4 | -64.8 | -70.9 | 0 | 0 | 0 | 118 | Y616 V625 N629 | Y616-F627 AromaticContact CE2-CD2 3.83Å; Y616-F627 HydrophobicContact CE2-CD2 3.83Å; Y616-F627 HydrophobicContact CE2-CE2 4.05Å; Y616-F627 AromaticContact CZ-CD2 3.73Å; Y616-F627 VanDerWaalsContact OH-CB 3.29Å; Y616-F627 WeakPolarHBondContact OH-CB 3.38Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.27Å; Y616-F627 WeakPolarHBondContact OH-CG 3.45Å; V625-F627 HydrophobicContact CB-CE2 4.4Å; V625-F627 HydrophobicContact CB-CZ 4.49Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 4.11Å; V625-F627 HydrophobicContact CG1-CE1 3.56Å; V625-F627 HydrophobicContact CG1-CE2 3.73Å; V625-F627 HydrophobicContact CG1-CG 4.21Å; V625-F627 HydrophobicContact CG1-CZ 3.45Å; V625-F627 VanDerWaalsContact CG1-CZ 3.45Å; V625-F627 PolarHBondContact O-N 2.83Å; F627-N629 PolarHBondContact O-N 3.14Å | ||
| 628 | G | 81.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 74 | -18.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | G626 V630 | G626-G628 PolarHBondContact O-N 3.34Å; G628-V630 PolarHBondContact O-N 3.39Å |
| 629 | N | 83.3 | Confident | 86.7 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -55.4 | -23.6 | 179.3 | -69.3 | -37.4 | 0 | 0 | 0 | 114.9 | Y616 F627 | Y616-N629 HydrophobicContact CE1-CB 4.18Å; Y616-N629 PolarHBondContact OH-ND2 2.99Å; F627-N629 PolarHBondContact O-N 3.14Å |
| 630 | V | 86.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -131.5 | 123.5 | 170.6 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | W567 W584 T613 Y616 F617 G628 | W567-V630 HydrophobicContact CZ2-CG1 4.31Å; W584-V630 HydrophobicContact CE3-CG1 4.05Å; T613-V630 HydrophobicContact CG2-CG2 3.49Å; T613-V630 VanDerWaalsContact CG2-CG2 3.49Å; Y616-V630 HydrophobicContact CD1-CG2 4.43Å; F617-V630 HydrophobicContact CB-CB 4.25Å; F617-V630 HydrophobicContact CB-CG1 4.13Å; F617-V630 HydrophobicContact CD2-CB 3.95Å; F617-V630 HydrophobicContact CD2-CG1 3.94Å; F617-V630 WeakPolarHBondContact CD2-O 3.43Å; F617-V630 WeakPolarHBondContact CE2-O 3.47Å; F617-V630 HydrophobicContact CG-CB 4.41Å; F617-V630 HydrophobicContact CG-CG1 4.12Å; G628-V630 PolarHBondContact O-N 3.39Å |
| 631 | S | 86.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -128.2 | 146.3 | -173.1 | 61.5 | 0 | 0 | 0 | 0 | 112 | N633 | S631-N633 PolarHBondContact O-N 3.47Å; S631-N633 PolarHBondContact O-OD1 2.98Å; S631-N633 PolarHBondContact OG-OD1 3.36Å | ||
| 632 | P | 89.3 | Confident | 86.7 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | trans | -75.6 | 117.8 | 171.1 | 32.4 | -36.2 | 0 | 0 | 0 | 111.2 | W567 E637 K638 | W567-P632 HydrophobicContact CH2-CB 4.04Å; P632-E637 HydrophobicContact CB-CB 3.88Å; P632-E637 WeakPolarHBondContact CB-O 3.45Å; P632-K638 HydrophobicContact CB-CG 3.99Å; P632-K638 HydrophobicContact CG-CG 4.35Å; P632-K638 VanDerWaalsContact O-CE 3.26Å; P632-K638 WeakPolarHBondContact O-CE 3.17Å | ||
| 633 | N | 88.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -107.2 | -43.2 | -175.6 | -66.8 | -14.4 | 0 | 0 | 0 | 111.9 | I582 S631 E637 K638 | I582-N633 WeakPolarHBondContact O-CB 3.46Å; I582-N633 PolarHBondContact O-ND2 3.49Å; S631-N633 PolarHBondContact O-N 3.47Å; S631-N633 PolarHBondContact O-OD1 2.98Å; S631-N633 PolarHBondContact OG-OD1 3.36Å; N633-E637 WeakPolarHBondContact CA-OE2 3.08Å; N633-E637 PolarHBondContact N-OE2 2.96Å; N633-K638 VanDerWaalsContact O-CE 3.29Å; N633-K638 WeakPolarHBondContact O-CE 3.46Å; N633-K638 PolarHBondContact O-NZ 3.02Å | ||
| 634 | T | 89.3 | Confident | 86.7 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -78.9 | 169.7 | 179.3 | 80 | 0 | 0 | 0 | 0 | 112 | E574 L578 I582 E637 K638 | E574-T634 PolarHBondContact OE1-OG1 3.11Å; E574-T634 WeakPolarHBondContact OE2-CB 3.48Å; E574-T634 VanDerWaalsContact OE2-CG2 3.25Å; E574-T634 WeakPolarHBondContact OE2-CG2 3.4Å; E574-T634 PolarHBondContact OE2-OG1 3.34Å; L578-T634 HydrophobicContact CD2-CG2 3.68Å; I582-T634 HydrophobicContact CG1-CG2 4.4Å; T634-E637 HydrophobicContact CG2-CG 4.33Å; T634-E637 PolarHBondContact N-OE2 3.46Å; T634-E637 VanDerWaalsContact OG1-CB 3.3Å; T634-E637 WeakPolarHBondContact OG1-CB 3.19Å; T634-E637 WeakPolarHBondContact OG1-CG 3.45Å; T634-E637 PolarHBondContact OG1-N 2.93Å; T634-E637 VanDerWaalsContact OG1-N 3.08Å; T634-K638 VanDerWaalsContact O-CB 3.28Å; T634-K638 WeakPolarHBondContact O-CB 3.38Å; T634-K638 WeakPolarHBondContact O-CD 3.36Å; T634-K638 WeakPolarHBondContact O-CG 3.37Å; T634-K638 PolarHBondContact O-N 2.67Å |
| 635 | N | 89.9 | Confident | 86.6 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 67% | 0.674 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70.7 | -37.1 | 179.6 | -71.7 | -11.6 | 0 | 0 | 0 | 112.2 | K638 I639 | N635-K638 PolarHBondContact O-N 3.23Å; N635-I639 WeakPolarHBondContact O-CB 3.42Å; N635-I639 WeakPolarHBondContact O-CD1 3.43Å; N635-I639 WeakPolarHBondContact O-CG1 3.47Å; N635-I639 PolarHBondContact O-N 2.8Å |
| 636 | S | 89.4 | Confident | 86 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76 | -33.9 | 175.7 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | I570 E574 K638 I639 F640 | I570-S636 WeakPolarHBondContact CG2-OG 3.34Å; E574-S636 VanDerWaalsContact OE1-CB 3.31Å; E574-S636 WeakPolarHBondContact OE1-CB 3.41Å; E574-S636 PolarHBondContact OE1-OG 3.08Å; E574-S636 PolarHBondContact OE2-OG 3.05Å; S636-K638 VanDerWaalsContact C-N 3.33Å; S636-K638 PolarHBondContact O-N 2.84Å; S636-I639 PolarHBondContact O-N 3.19Å; S636-F640 VanDerWaalsContact O-CB 3.3Å; S636-F640 WeakPolarHBondContact O-CB 3.24Å; S636-F640 PolarHBondContact O-N 3.28Å |
| 637 | E | 91.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 169.7 | -74.5 | 171.4 | 179.2 | 0 | 0 | 111.3 | W567 I570 G583 W584 P632 N633 T634 F640 S641 | W567-E637 HydrophobicContact CH2-CB 3.82Å; W567-E637 HydrophobicContact CH2-CG 3.83Å; W567-E637 HydrophobicContact CZ3-CB 3.77Å; W567-E637 HydrophobicContact CZ3-CG 3.84Å; I570-E637 HydrophobicContact CG2-CG 4.47Å; G583-E637 VanDerWaalsContact CA-OE1 3.28Å; G583-E637 WeakPolarHBondContact CA-OE1 3.39Å; W584-E637 VanDerWaalsContact CD1-OE1 3.23Å; W584-E637 PolarHBondContact N-OE1 3.23Å; P632-E637 HydrophobicContact CB-CB 3.88Å; P632-E637 WeakPolarHBondContact CB-O 3.45Å; N633-E637 WeakPolarHBondContact CA-OE2 3.08Å; N633-E637 PolarHBondContact N-OE2 2.96Å; T634-E637 HydrophobicContact CG2-CG 4.33Å; T634-E637 PolarHBondContact N-OE2 3.46Å; T634-E637 VanDerWaalsContact OG1-CB 3.3Å; T634-E637 WeakPolarHBondContact OG1-CB 3.19Å; T634-E637 WeakPolarHBondContact OG1-CG 3.45Å; T634-E637 PolarHBondContact OG1-N 2.93Å; T634-E637 VanDerWaalsContact OG1-N 3.08Å; E637-F640 PolarHBondContact O-N 3.47Å; E637-S641 WeakPolarHBondContact O-CB 3.34Å; E637-S641 PolarHBondContact O-N 3.27Å |
| 638 | K | 90.8 | Very high | 83.8 | Confident | 93 Ų | 93 | 59 Ų | 59 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 176.4 | -76.8 | 165.2 | 177.8 | 153.7 | 0 | 111.9 | P632 N633 T634 N635 S636 F640 S641 I642 | P632-K638 HydrophobicContact CB-CG 3.99Å; P632-K638 HydrophobicContact CG-CG 4.35Å; P632-K638 VanDerWaalsContact O-CE 3.26Å; P632-K638 WeakPolarHBondContact O-CE 3.17Å; N633-K638 VanDerWaalsContact O-CE 3.29Å; N633-K638 WeakPolarHBondContact O-CE 3.46Å; N633-K638 PolarHBondContact O-NZ 3.02Å; T634-K638 VanDerWaalsContact O-CB 3.28Å; T634-K638 WeakPolarHBondContact O-CB 3.38Å; T634-K638 WeakPolarHBondContact O-CD 3.36Å; T634-K638 WeakPolarHBondContact O-CG 3.37Å; T634-K638 PolarHBondContact O-N 2.67Å; N635-K638 PolarHBondContact O-N 3.23Å; S636-K638 VanDerWaalsContact C-N 3.33Å; S636-K638 PolarHBondContact O-N 2.84Å; K638-F640 VanDerWaalsContact C-N 3.32Å; K638-F640 PolarHBondContact O-N 3.11Å; K638-S641 PolarHBondContact O-N 2.81Å; K638-I642 VanDerWaalsContact O-CB 3.27Å; K638-I642 WeakPolarHBondContact O-CB 3.39Å; K638-I642 WeakPolarHBondContact O-CD1 3.43Å; K638-I642 WeakPolarHBondContact O-CG1 3.38Å; K638-I642 PolarHBondContact O-N 3.11Å |
| 639 | I | 90.9 | Very high | 81.9 | Confident | 107 Ų | 107 | 60 Ų | 60 | 55% | 0.549 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174 | -70.9 | 163.7 | 0 | 0 | 0 | 110.2 | N635 S636 I642 C643 | N635-I639 WeakPolarHBondContact O-CB 3.42Å; N635-I639 WeakPolarHBondContact O-CD1 3.43Å; N635-I639 WeakPolarHBondContact O-CG1 3.47Å; N635-I639 PolarHBondContact O-N 2.8Å; S636-I639 PolarHBondContact O-N 3.19Å; I639-I642 CarbonylContact O-C 3.58Å; I639-I642 PolarHBondContact O-N 2.82Å; I639-C643 VanDerWaalsContact O-CB 3.32Å; I639-C643 WeakPolarHBondContact O-CB 3.31Å; I639-C643 PolarHBondContact O-N 3.35Å; I639-C643 PolarHBondContact O-SG 2.76Å |
| 640 | F | 89.9 | Confident | 80.4 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.3 | 176.1 | -93.4 | 0 | 0 | 0 | 112.3 | L563 I566 W567 I570 S636 E637 K638 C643 V644 | L563-F640 HydrophobicContact CB-CZ 4.3Å; L563-F640 HydrophobicContact CD2-CE2 4.3Å; L563-F640 HydrophobicContact CD2-CZ 4.19Å; L563-F640 WeakPolarHBondContact O-CZ 3.38Å; I566-F640 HydrophobicContact CB-CE2 3.97Å; I566-F640 HydrophobicContact CB-CZ 4.35Å; I566-F640 HydrophobicContact CG2-CD2 3.96Å; I566-F640 HydrophobicContact CG2-CE2 3.45Å; I566-F640 VanDerWaalsContact CG2-CE2 3.45Å; I566-F640 HydrophobicContact CG2-CZ 4.25Å; W567-F640 HydrophobicContact CB-CE1 3.83Å; W567-F640 HydrophobicContact CB-CZ 4.15Å; W567-F640 HydrophobicContact CD2-CD1 4.28Å; W567-F640 HydrophobicContact CD2-CE1 4.17Å; W567-F640 AromaticContact CE3-CD1 3.29Å; W567-F640 HydrophobicContact CE3-CD1 3.29Å; W567-F640 AromaticContact CE3-CE1 3.61Å; W567-F640 HydrophobicContact CE3-CE1 3.61Å; W567-F640 HydrophobicContact CE3-CG 4.22Å; W567-F640 HydrophobicContact CG-CE1 4.32Å; W567-F640 AromaticContact CZ3-CD1 3.77Å; W567-F640 HydrophobicContact CZ3-CD1 3.77Å; W567-F640 HydrophobicContact CZ3-CE1 4.45Å; I570-F640 HydrophobicContact CD1-CB 3.62Å; I570-F640 HydrophobicContact CD1-CD1 4.37Å; I570-F640 HydrophobicContact CD1-CD2 3.48Å; I570-F640 VanDerWaalsContact CD1-CD2 3.48Å; I570-F640 HydrophobicContact CD1-CE2 4.24Å; I570-F640 HydrophobicContact CD1-CG 3.55Å; S636-F640 VanDerWaalsContact O-CB 3.3Å; S636-F640 WeakPolarHBondContact O-CB 3.24Å; S636-F640 PolarHBondContact O-N 3.28Å; E637-F640 PolarHBondContact O-N 3.47Å; K638-F640 VanDerWaalsContact C-N 3.32Å; K638-F640 PolarHBondContact O-N 3.11Å; F640-C643 CarbonylContact O-C 3.6Å; F640-C643 WeakPolarHBondContact O-CA 3.4Å; F640-C643 WeakPolarHBondContact O-CB 3.28Å; F640-C643 PolarHBondContact O-N 3.21Å; F640-C643 VanDerWaalsContact O-N 3.1Å; F640-V644 HydrophobicContact CD1-CG2 3.94Å; F640-V644 HydrophobicContact CD2-CG2 4.47Å; F640-V644 HydrophobicContact CE1-CG2 3.42Å; F640-V644 VanDerWaalsContact CE1-CG2 3.42Å; F640-V644 HydrophobicContact CE2-CG2 3.98Å; F640-V644 HydrophobicContact CG-CG2 4.47Å; F640-V644 HydrophobicContact CZ-CG2 3.44Å; F640-V644 VanDerWaalsContact CZ-CG2 3.44Å; F640-V644 WeakPolarHBondContact O-CG2 3.46Å; F640-V644 PolarHBondContact O-N 3.2Å |
| 641 | S | 87.2 | Confident | 78.9 | Confident | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.4 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | E637 K638 C643 V644 M645 | E637-S641 WeakPolarHBondContact O-CB 3.34Å; E637-S641 PolarHBondContact O-N 3.27Å; K638-S641 PolarHBondContact O-N 2.81Å; S641-C643 VanDerWaalsContact C-N 3.3Å; S641-C643 PolarHBondContact O-N 2.94Å; S641-V644 PolarHBondContact O-N 3.43Å; S641-M645 WeakPolarHBondContact O-CB 3.37Å; S641-M645 WeakPolarHBondContact O-CG 3.24Å; S641-M645 PolarHBondContact O-N 3.46Å |
| 642 | I | 86.6 | Confident | 77.4 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 169.8 | -71.6 | 165.1 | 0 | 0 | 0 | 109.5 | K638 I639 M645 L646 | K638-I642 VanDerWaalsContact O-CB 3.27Å; K638-I642 WeakPolarHBondContact O-CB 3.39Å; K638-I642 WeakPolarHBondContact O-CD1 3.43Å; K638-I642 WeakPolarHBondContact O-CG1 3.38Å; K638-I642 PolarHBondContact O-N 3.11Å; I639-I642 CarbonylContact O-C 3.58Å; I639-I642 PolarHBondContact O-N 2.82Å; I642-M645 CarbonylContact O-C 3.54Å; I642-M645 VanDerWaalsContact O-C 3.27Å; I642-M645 WeakPolarHBondContact O-CA 3.35Å; I642-M645 PolarHBondContact O-N 3.35Å; I642-L646 HydrophobicContact CG2-CD1 3.56Å; I642-L646 HydrophobicContact CG2-CG 3.96Å; I642-L646 WeakPolarHBondContact O-CA 3.33Å; I642-L646 WeakPolarHBondContact O-CB 3.2Å; I642-L646 VanDerWaalsContact O-CG 3.24Å; I642-L646 WeakPolarHBondContact O-CG 3.44Å; I642-L646 PolarHBondContact O-N 3.49Å |
| 643 | C | 84.9 | Confident | 75.8 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | 174.1 | -74.2 | 0 | 0 | 0 | 0 | 113.1 | I639 F640 S641 M645 L646 I647 | I639-C643 VanDerWaalsContact O-CB 3.32Å; I639-C643 WeakPolarHBondContact O-CB 3.31Å; I639-C643 PolarHBondContact O-N 3.35Å; I639-C643 PolarHBondContact O-SG 2.76Å; F640-C643 CarbonylContact O-C 3.6Å; F640-C643 WeakPolarHBondContact O-CA 3.4Å; F640-C643 WeakPolarHBondContact O-CB 3.28Å; F640-C643 PolarHBondContact O-N 3.21Å; F640-C643 VanDerWaalsContact O-N 3.1Å; S641-C643 VanDerWaalsContact C-N 3.3Å; S641-C643 PolarHBondContact O-N 2.94Å; C643-M645 VanDerWaalsContact C-N 3.26Å; C643-M645 PolarHBondContact O-N 3.25Å; C643-L646 PolarHBondContact O-N 3.34Å; C643-I647 HydrophobicContact CB-CD1 4.41Å; C643-I647 WeakPolarHBondContact O-CA 3.35Å; C643-I647 WeakPolarHBondContact O-CB 3.28Å; C643-I647 WeakPolarHBondContact O-CG1 3.41Å; C643-I647 PolarHBondContact O-N 2.99Å |
| 644 | V | 81.8 | Confident | 74.5 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.2 | -30.2 | 171.6 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L563 F640 S641 G648 | L563-V644 HydrophobicContact CD1-CG1 4.29Å; L563-V644 HydrophobicContact CD1-CG2 4.16Å; L563-V644 HydrophobicContact CD2-CG2 4.15Å; F640-V644 HydrophobicContact CD1-CG2 3.94Å; F640-V644 HydrophobicContact CD2-CG2 4.47Å; F640-V644 HydrophobicContact CE1-CG2 3.42Å; F640-V644 VanDerWaalsContact CE1-CG2 3.42Å; F640-V644 HydrophobicContact CE2-CG2 3.98Å; F640-V644 HydrophobicContact CG-CG2 4.47Å; F640-V644 HydrophobicContact CZ-CG2 3.44Å; F640-V644 VanDerWaalsContact CZ-CG2 3.44Å; F640-V644 WeakPolarHBondContact O-CG2 3.46Å; F640-V644 PolarHBondContact O-N 3.2Å; S641-V644 PolarHBondContact O-N 3.43Å; V644-G648 WeakPolarHBondContact O-CA 3.06Å; V644-G648 PolarHBondContact O-N 3.49Å |
| 645 | M | 77.8 | Confident | 73.4 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -86.5 | -9.5 | 173.2 | -64.6 | 165.2 | 67.9 | 0 | 0 | 113.9 | S641 I642 C643 G648 C649 | S641-M645 WeakPolarHBondContact O-CB 3.37Å; S641-M645 WeakPolarHBondContact O-CG 3.24Å; S641-M645 PolarHBondContact O-N 3.46Å; I642-M645 CarbonylContact O-C 3.54Å; I642-M645 VanDerWaalsContact O-C 3.27Å; I642-M645 WeakPolarHBondContact O-CA 3.35Å; I642-M645 PolarHBondContact O-N 3.35Å; C643-M645 VanDerWaalsContact C-N 3.26Å; C643-M645 PolarHBondContact O-N 3.25Å; M645-G648 CarbonylContact O-C 3.27Å; M645-C649 VanDerWaalsContact O-CB 3.29Å; M645-C649 WeakPolarHBondContact O-CB 3.44Å; M645-C649 PolarHBondContact O-N 2.77Å |
| 646 | L | 73.8 | Confident | 72.4 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -110.8 | -37.3 | 179.3 | -76.3 | -175.4 | 0 | 0 | 0 | 113.4 | I642 C643 C649 N650 | I642-L646 HydrophobicContact CG2-CD1 3.56Å; I642-L646 HydrophobicContact CG2-CG 3.96Å; I642-L646 WeakPolarHBondContact O-CA 3.33Å; I642-L646 WeakPolarHBondContact O-CB 3.2Å; I642-L646 VanDerWaalsContact O-CG 3.24Å; I642-L646 WeakPolarHBondContact O-CG 3.44Å; I642-L646 PolarHBondContact O-N 3.49Å; C643-L646 PolarHBondContact O-N 3.34Å; L646-C649 VanDerWaalsContact CA-CB 3.48Å; L646-C649 HydrophobicContact CB-CB 4.38Å; L646-C649 HydrophobicContact CD2-CB 3.65Å; L646-C649 CarbonylContact O-C 3.54Å; L646-C649 VanDerWaalsContact O-CA 3.24Å; L646-C649 WeakPolarHBondContact O-CA 3.24Å; L646-C649 VanDerWaalsContact O-CB 3.32Å; L646-C649 WeakPolarHBondContact O-CB 3.28Å; L646-C649 PolarHBondContact O-N 3.12Å; L646-N650 PolarHBondContact O-N 3.12Å |
| 647 | I | 64.8 | Low | 71.6 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -63.1 | -35.2 | 153.2 | -58.3 | 166.6 | 0 | 0 | 0 | 107.9 | C643 C649 N650 | C643-I647 HydrophobicContact CB-CD1 4.41Å; C643-I647 WeakPolarHBondContact O-CA 3.35Å; C643-I647 WeakPolarHBondContact O-CB 3.28Å; C643-I647 WeakPolarHBondContact O-CG1 3.41Å; C643-I647 PolarHBondContact O-N 2.99Å; I647-C649 VanDerWaalsContact C-N 3.27Å; I647-N650 VanDerWaalsContact O-CB 3.29Å; I647-N650 WeakPolarHBondContact O-CB 3.35Å; I647-N650 PolarHBondContact O-N 3.48Å |
| 648 | G | 55.9 | Low | 70.8 | Confident | 16 Ų | 16 | 75.5 Ų | 75.5 | 17% | 0.165 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -78.7 | 4.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V644 M645 N650 V651 | V644-G648 WeakPolarHBondContact O-CA 3.06Å; V644-G648 PolarHBondContact O-N 3.49Å; M645-G648 CarbonylContact O-C 3.27Å; G648-N650 CarbonylContact O-C 3.53Å; G648-N650 VanDerWaalsContact O-C 3.23Å; G648-V651 VanDerWaalsContact O-CA 3.28Å; G648-V651 WeakPolarHBondContact O-CA 3.38Å; G648-V651 WeakPolarHBondContact O-CG2 3.37Å; G648-V651 PolarHBondContact O-N 3.04Å |
| 649 | C | 42.5 | Very low | 70.4 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -96.9 | 4.4 | 162.6 | -162.5 | 0 | 0 | 0 | 0 | 112 | M645 L646 I647 V651 | M645-C649 VanDerWaalsContact O-CB 3.29Å; M645-C649 WeakPolarHBondContact O-CB 3.44Å; M645-C649 PolarHBondContact O-N 2.77Å; L646-C649 VanDerWaalsContact CA-CB 3.48Å; L646-C649 HydrophobicContact CB-CB 4.38Å; L646-C649 HydrophobicContact CD2-CB 3.65Å; L646-C649 CarbonylContact O-C 3.54Å; L646-C649 VanDerWaalsContact O-CA 3.24Å; L646-C649 WeakPolarHBondContact O-CA 3.24Å; L646-C649 VanDerWaalsContact O-CB 3.32Å; L646-C649 WeakPolarHBondContact O-CB 3.28Å; L646-C649 PolarHBondContact O-N 3.12Å; I647-C649 VanDerWaalsContact C-N 3.27Å; C649-V651 PolarHBondContact O-N 3.44Å |
| 650 | N | 52.4 | Low | 70 | Confident | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | -64.9 | 62 | 115.3 | -81.2 | -66.1 | 0 | 0 | 0 | 110.7 | L646 I647 G648 F652 I653 S654 | L646-N650 PolarHBondContact O-N 3.12Å; I647-N650 VanDerWaalsContact O-CB 3.29Å; I647-N650 WeakPolarHBondContact O-CB 3.35Å; I647-N650 PolarHBondContact O-N 3.48Å; G648-N650 CarbonylContact O-C 3.53Å; G648-N650 VanDerWaalsContact O-C 3.23Å; N650-F652 CarbonylContact O-C 3.58Å; N650-F652 PolarHBondContact O-N 3.43Å; N650-I653 HydrophobicContact CB-CB 3.68Å; N650-I653 HydrophobicContact CB-CD1 3.93Å; N650-I653 HydrophobicContact CB-CG1 3.71Å; N650-I653 PolarHBondContact O-N 2.63Å; N650-I653 WeakPolarHBondContact OD1-CG1 3.45Å; N650-S654 PolarHBondContact O-N 3.26Å | |
| 651 | V | 53.2 | Low | 69.7 | Low | 88 Ų | 88 | 70.6 Ų | 70.6 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -30.3 | 156.4 | 162.4 | 0 | 0 | 0 | 0 | 106.4 | G648 C649 S654 A655 | G648-V651 VanDerWaalsContact O-CA 3.28Å; G648-V651 WeakPolarHBondContact O-CA 3.38Å; G648-V651 WeakPolarHBondContact O-CG2 3.37Å; G648-V651 PolarHBondContact O-N 3.04Å; C649-V651 PolarHBondContact O-N 3.44Å; V651-S654 PolarHBondContact O-OG 3.14Å; V651-A655 WeakPolarHBondContact O-CA 3.24Å; V651-A655 WeakPolarHBondContact O-CB 3.49Å; V651-A655 PolarHBondContact O-N 3.02Å |
| 652 | F | 54.9 | Low | 69.5 | Low | 149 Ų | 149 | 75.3 Ų | 75.3 | 65% | 0.654 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -49.6 | -71 | 156.9 | -87.6 | -101.3 | 0 | 0 | 0 | 112.4 | N650 S654 A655 L656 | N650-F652 CarbonylContact O-C 3.58Å; N650-F652 PolarHBondContact O-N 3.43Å; F652-S654 PolarHBondContact O-N 2.89Å; F652-A655 CarbonylContact O-C 3.37Å; F652-A655 PolarHBondContact O-N 2.85Å; F652-L656 HydrophobicContact CB-CD1 4.15Å; F652-L656 HydrophobicContact CD1-CD1 3.59Å; F652-L656 HydrophobicContact CE1-CD1 4.3Å; F652-L656 HydrophobicContact CG-CD1 4.16Å; F652-L656 WeakPolarHBondContact O-CA 3.36Å; F652-L656 WeakPolarHBondContact O-CB 3.41Å; F652-L656 WeakPolarHBondContact O-CD1 3.26Å; F652-L656 PolarHBondContact O-N 3.42Å |
| 653 | I | 57.5 | Low | 69.5 | Low | 101 Ų | 101 | 72.8 Ų | 72.8 | 52% | 0.518 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | -177.5 | -57 | 170.7 | 0 | 0 | 0 | 113.6 | N650 M657 | N650-I653 HydrophobicContact CB-CB 3.68Å; N650-I653 HydrophobicContact CB-CD1 3.93Å; N650-I653 HydrophobicContact CB-CG1 3.71Å; N650-I653 PolarHBondContact O-N 2.63Å; N650-I653 WeakPolarHBondContact OD1-CG1 3.45Å; I653-M657 HydrophobicContact CG2-CB 4.45Å; I653-M657 WeakPolarHBondContact O-CA 3.5Å; I653-M657 WeakPolarHBondContact O-CB 3.4Å; I653-M657 PolarHBondContact O-N 3.38Å |
| 654 | S | 60.3 | Low | 69.5 | Low | 35 Ų | 35 | 72.6 Ų | 72.6 | 25% | 0.245 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 176.6 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | N650 V651 F652 Y658 | N650-S654 PolarHBondContact O-N 3.26Å; V651-S654 PolarHBondContact O-OG 3.14Å; F652-S654 PolarHBondContact O-N 2.89Å; S654-Y658 WeakPolarHBondContact O-CB 3.24Å; S654-Y658 PolarHBondContact O-N 3.27Å |
| 655 | A | 65.8 | Low | 69.7 | Low | 49 Ų | 49 | 74.3 Ų | 74.3 | 41% | 0.405 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -75 | -28.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V651 F652 A659 | V651-A655 WeakPolarHBondContact O-CA 3.24Å; V651-A655 WeakPolarHBondContact O-CB 3.49Å; V651-A655 PolarHBondContact O-N 3.02Å; F652-A655 CarbonylContact O-C 3.37Å; F652-A655 PolarHBondContact O-N 2.85Å; A655-A659 WeakPolarHBondContact O-CA 3.07Å; A655-A659 WeakPolarHBondContact O-CB 3.35Å; A655-A659 PolarHBondContact O-N 3.35Å |
| 656 | L | 68.9 | Low | 70.2 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -77.9 | -34.9 | 173.7 | -90.9 | 71.3 | 0 | 0 | 0 | 111.2 | F652 S660 | F652-L656 HydrophobicContact CB-CD1 4.15Å; F652-L656 HydrophobicContact CD1-CD1 3.59Å; F652-L656 HydrophobicContact CE1-CD1 4.3Å; F652-L656 HydrophobicContact CG-CD1 4.16Å; F652-L656 WeakPolarHBondContact O-CA 3.36Å; F652-L656 WeakPolarHBondContact O-CB 3.41Å; F652-L656 WeakPolarHBondContact O-CD1 3.26Å; F652-L656 PolarHBondContact O-N 3.42Å; L656-S660 WeakPolarHBondContact O-CA 3.24Å; L656-S660 WeakPolarHBondContact O-CB 3.47Å; L656-S660 PolarHBondContact O-N 3.17Å |
| 657 | M | 71.8 | Confident | 70.8 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 15% | 0.148 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 172 | -177.1 | -173.9 | 68.9 | 0 | 0 | 109.6 | L552 F556 I653 S660 I661 | L552-M657 HydrophobicContact CD1-CG 4.03Å; L552-M657 HydrophobicContact CG-CG 4.43Å; F556-M657 HydrophobicContact CB-CE 3.81Å; F556-M657 HydrophobicContact CB-SD 3.98Å; F556-M657 HydrophobicContact CD2-CE 3.3Å; F556-M657 HydrophobicContact CD2-SD 4.45Å; F556-M657 HydrophobicContact CE2-CE 3.99Å; F556-M657 HydrophobicContact CG-CE 3.68Å; I653-M657 HydrophobicContact CG2-CB 4.45Å; I653-M657 WeakPolarHBondContact O-CA 3.5Å; I653-M657 WeakPolarHBondContact O-CB 3.4Å; I653-M657 PolarHBondContact O-N 3.38Å; M657-S660 PolarHBondContact O-N 3.17Å; M657-I661 HydrophobicContact CG-CD1 4.1Å; M657-I661 WeakPolarHBondContact O-CB 3.19Å; M657-I661 WeakPolarHBondContact O-CD1 3.23Å; M657-I661 WeakPolarHBondContact O-CG1 3.43Å; M657-I661 PolarHBondContact O-N 2.7Å |
| 658 | Y | 75.8 | Confident | 71.8 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.7 | -50.5 | 170.6 | -171.5 | -89.5 | 0 | 0 | 0 | 111.1 | S654 S660 I661 F662 | S654-Y658 WeakPolarHBondContact O-CB 3.24Å; S654-Y658 PolarHBondContact O-N 3.27Å; Y658-S660 VanDerWaalsContact C-N 3.29Å; Y658-S660 PolarHBondContact O-N 3.42Å; Y658-I661 WeakPolarHBondContact O-CB 3.43Å; Y658-I661 PolarHBondContact O-N 3.41Å; Y658-F662 AromaticContact CD1-CD2 3.84Å; Y658-F662 HydrophobicContact CD1-CD2 3.84Å; Y658-F662 HydrophobicContact CD1-CE2 4.21Å; Y658-F662 HydrophobicContact CD2-CD2 4.24Å; Y658-F662 HydrophobicContact CD2-CE2 4.01Å; Y658-F662 AromaticContact CE1-CD2 3.63Å; Y658-F662 HydrophobicContact CE1-CD2 3.63Å; Y658-F662 AromaticContact CE1-CE2 3.67Å; Y658-F662 HydrophobicContact CE1-CE2 3.67Å; Y658-F662 HydrophobicContact CE1-CG 4.29Å; Y658-F662 HydrophobicContact CE1-CZ 4.35Å; Y658-F662 HydrophobicContact CE2-CD2 4.05Å; Y658-F662 AromaticContact CE2-CE2 3.46Å; Y658-F662 HydrophobicContact CE2-CE2 3.46Å; Y658-F662 VanDerWaalsContact CE2-CE2 3.46Å; Y658-F662 HydrophobicContact CE2-CZ 4.27Å; Y658-F662 HydrophobicContact CG-CD2 4.14Å; Y658-F662 HydrophobicContact CG-CE2 4.36Å; Y658-F662 AromaticContact CZ-CD2 3.75Å; Y658-F662 AromaticContact CZ-CE2 3.26Å; Y658-F662 AromaticContact CZ-CZ 3.82Å; Y658-F662 WeakPolarHBondContact O-CB 3.3Å; Y658-F662 WeakPolarHBondContact O-CD2 3.47Å; Y658-F662 PolarHBondContact O-N 2.69Å; Y658-F662 WeakPolarHBondContact OH-CE2 3.46Å |
| 659 | A | 82 | Confident | 73.2 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -24.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A655 G663 | A655-A659 WeakPolarHBondContact O-CA 3.07Å; A655-A659 WeakPolarHBondContact O-CB 3.35Å; A655-A659 PolarHBondContact O-N 3.35Å; A659-G663 VanDerWaalsContact O-CA 3.23Å; A659-G663 WeakPolarHBondContact O-CA 3.32Å; A659-G663 PolarHBondContact O-N 2.71Å |
| 660 | S | 81.8 | Confident | 75.2 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.5 | -38.5 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | L552 L656 M657 Y658 N664 | L552-S660 WeakPolarHBondContact CD2-OG 3.4Å; L656-S660 WeakPolarHBondContact O-CA 3.24Å; L656-S660 WeakPolarHBondContact O-CB 3.47Å; L656-S660 PolarHBondContact O-N 3.17Å; M657-S660 PolarHBondContact O-N 3.17Å; Y658-S660 VanDerWaalsContact C-N 3.29Å; Y658-S660 PolarHBondContact O-N 3.42Å; S660-N664 WeakPolarHBondContact O-CB 3.46Å; S660-N664 PolarHBondContact O-N 2.87Å; S660-N664 PolarHBondContact O-ND2 2.69Å; S660-N664 PolarHBondContact OG-ND2 2.74Å |
| 661 | I | 84.6 | Confident | 76.7 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.051 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -57.2 | 169.8 | -74 | 164.5 | 0 | 0 | 0 | 109 | L552 M553 M657 Y658 G663 N664 V665 | L552-I661 HydrophobicContact CB-CG1 4.45Å; L552-I661 HydrophobicContact CD2-CB 4.43Å; L552-I661 HydrophobicContact CD2-CG1 3.56Å; L552-I661 HydrophobicContact CG-CD1 4.34Å; L552-I661 HydrophobicContact CG-CG1 3.67Å; M553-I661 HydrophobicContact CE-CG2 3.42Å; M553-I661 VanDerWaalsContact CE-CG2 3.42Å; M553-I661 HydrophobicContact SD-CD1 4.03Å; M553-I661 HydrophobicContact SD-CG1 4.33Å; M553-I661 HydrophobicContact SD-CG2 3.85Å; M657-I661 HydrophobicContact CG-CD1 4.1Å; M657-I661 WeakPolarHBondContact O-CB 3.19Å; M657-I661 WeakPolarHBondContact O-CD1 3.23Å; M657-I661 WeakPolarHBondContact O-CG1 3.43Å; M657-I661 PolarHBondContact O-N 2.7Å; Y658-I661 WeakPolarHBondContact O-CB 3.43Å; Y658-I661 PolarHBondContact O-N 3.41Å; I661-G663 VanDerWaalsContact C-N 3.34Å; I661-G663 PolarHBondContact O-N 2.79Å; I661-N664 PolarHBondContact O-N 3.28Å; I661-V665 HydrophobicContact CG2-CG2 4.37Å; I661-V665 WeakPolarHBondContact O-CB 3.23Å; I661-V665 WeakPolarHBondContact O-CG2 3.28Å; I661-V665 PolarHBondContact O-N 3.12Å |
| 662 | F | 82.8 | Confident | 78.1 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 48% | 0.482 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | -179.3 | -84.5 | -95.8 | 0 | 0 | 0 | 112.9 | Y658 S666 | Y658-F662 AromaticContact CD1-CD2 3.84Å; Y658-F662 HydrophobicContact CD1-CD2 3.84Å; Y658-F662 HydrophobicContact CD1-CE2 4.21Å; Y658-F662 HydrophobicContact CD2-CD2 4.24Å; Y658-F662 HydrophobicContact CD2-CE2 4.01Å; Y658-F662 AromaticContact CE1-CD2 3.63Å; Y658-F662 HydrophobicContact CE1-CD2 3.63Å; Y658-F662 AromaticContact CE1-CE2 3.67Å; Y658-F662 HydrophobicContact CE1-CE2 3.67Å; Y658-F662 HydrophobicContact CE1-CG 4.29Å; Y658-F662 HydrophobicContact CE1-CZ 4.35Å; Y658-F662 HydrophobicContact CE2-CD2 4.05Å; Y658-F662 AromaticContact CE2-CE2 3.46Å; Y658-F662 HydrophobicContact CE2-CE2 3.46Å; Y658-F662 VanDerWaalsContact CE2-CE2 3.46Å; Y658-F662 HydrophobicContact CE2-CZ 4.27Å; Y658-F662 HydrophobicContact CG-CD2 4.14Å; Y658-F662 HydrophobicContact CG-CE2 4.36Å; Y658-F662 AromaticContact CZ-CD2 3.75Å; Y658-F662 AromaticContact CZ-CE2 3.26Å; Y658-F662 AromaticContact CZ-CZ 3.82Å; Y658-F662 WeakPolarHBondContact O-CB 3.3Å; Y658-F662 WeakPolarHBondContact O-CD2 3.47Å; Y658-F662 PolarHBondContact O-N 2.69Å; Y658-F662 WeakPolarHBondContact OH-CE2 3.46Å; F662-S666 WeakPolarHBondContact O-CB 3.47Å; F662-S666 PolarHBondContact O-N 2.8Å |
| 663 | G | 86.8 | Confident | 79.6 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A659 I661 S666 A667 | A659-G663 VanDerWaalsContact O-CA 3.23Å; A659-G663 WeakPolarHBondContact O-CA 3.32Å; A659-G663 PolarHBondContact O-N 2.71Å; I661-G663 VanDerWaalsContact C-N 3.34Å; I661-G663 PolarHBondContact O-N 2.79Å; G663-S666 PolarHBondContact O-N 2.83Å; G663-A667 VanDerWaalsContact O-CB 3.3Å; G663-A667 WeakPolarHBondContact O-CB 3.27Å; G663-A667 PolarHBondContact O-N 3.05Å |
| 664 | N | 85.5 | Confident | 81 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 174.2 | -77 | -64.6 | 0 | 0 | 0 | 111.7 | S660 I661 S666 A667 I668 | S660-N664 WeakPolarHBondContact O-CB 3.46Å; S660-N664 PolarHBondContact O-N 2.87Å; S660-N664 PolarHBondContact O-ND2 2.69Å; S660-N664 PolarHBondContact OG-ND2 2.74Å; I661-N664 PolarHBondContact O-N 3.28Å; N664-S666 PolarHBondContact O-N 3.2Å; N664-A667 PolarHBondContact O-N 3.05Å; N664-I668 VanDerWaalsContact O-CB 3.31Å; N664-I668 WeakPolarHBondContact O-CB 3.25Å; N664-I668 WeakPolarHBondContact O-CD1 3.4Å; N664-I668 WeakPolarHBondContact O-CG1 3.44Å; N664-I668 PolarHBondContact O-N 3.47Å |
| 665 | V | 85.7 | Confident | 82.2 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 26% | 0.255 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55 | -51.5 | 171 | 167.2 | 0 | 0 | 0 | 0 | 110 | L549 I661 I668 I669 | L549-V665 HydrophobicContact CD1-CB 4.34Å; L549-V665 HydrophobicContact CD1-CG2 3.51Å; L549-V665 HydrophobicContact CG-CG2 4.23Å; I661-V665 HydrophobicContact CG2-CG2 4.37Å; I661-V665 WeakPolarHBondContact O-CB 3.23Å; I661-V665 WeakPolarHBondContact O-CG2 3.28Å; I661-V665 PolarHBondContact O-N 3.12Å; V665-I668 PolarHBondContact O-N 3.41Å; V665-I669 HydrophobicContact CG1-CD1 3.7Å; V665-I669 WeakPolarHBondContact O-CB 3.41Å; V665-I669 VanDerWaalsContact O-CG1 3.25Å; V665-I669 WeakPolarHBondContact O-CG1 3.32Å; V665-I669 PolarHBondContact O-N 3.01Å |
| 666 | S | 86.8 | Confident | 83.3 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 179.2 | -173 | 0 | 0 | 0 | 0 | 112 | F662 G663 N664 I668 I669 Q670 | F662-S666 WeakPolarHBondContact O-CB 3.47Å; F662-S666 PolarHBondContact O-N 2.8Å; G663-S666 PolarHBondContact O-N 2.83Å; N664-S666 PolarHBondContact O-N 3.2Å; S666-I668 VanDerWaalsContact C-N 3.35Å; S666-I668 PolarHBondContact O-N 3.06Å; S666-I669 PolarHBondContact O-N 3.31Å; S666-Q670 WeakPolarHBondContact O-CB 3.36Å; S666-Q670 VanDerWaalsContact O-CG 3.26Å; S666-Q670 WeakPolarHBondContact O-CG 3.5Å; S666-Q670 PolarHBondContact O-N 2.72Å |
| 667 | A | 86.4 | Confident | 84.2 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G663 N664 R671 | G663-A667 VanDerWaalsContact O-CB 3.3Å; G663-A667 WeakPolarHBondContact O-CB 3.27Å; G663-A667 PolarHBondContact O-N 3.05Å; N664-A667 PolarHBondContact O-N 3.05Å; A667-R671 VanDerWaalsContact O-CB 3.24Å; A667-R671 WeakPolarHBondContact O-CB 3.16Å; A667-R671 PolarHBondContact O-N 2.77Å |
| 668 | I | 85.6 | Confident | 85 | Confident | 48 Ų | 48 | 78.6 Ų | 78.6 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 175 | -70.8 | 161.7 | 0 | 0 | 0 | 110.7 | G545 L549 N664 V665 S666 R671 L672 | G545-I668 WeakPolarHBondContact O-CD1 3.26Å; L549-I668 HydrophobicContact CB-CD1 3.92Å; L549-I668 HydrophobicContact CD1-CD1 3.66Å; L549-I668 HydrophobicContact CG-CD1 4.48Å; N664-I668 VanDerWaalsContact O-CB 3.31Å; N664-I668 WeakPolarHBondContact O-CB 3.25Å; N664-I668 WeakPolarHBondContact O-CD1 3.4Å; N664-I668 WeakPolarHBondContact O-CG1 3.44Å; N664-I668 PolarHBondContact O-N 3.47Å; V665-I668 PolarHBondContact O-N 3.41Å; S666-I668 VanDerWaalsContact C-N 3.35Å; S666-I668 PolarHBondContact O-N 3.06Å; I668-R671 PolarHBondContact O-N 3.21Å; I668-L672 VanDerWaalsContact O-CB 3.28Å; I668-L672 WeakPolarHBondContact O-CB 3.3Å; I668-L672 PolarHBondContact O-N 3.29Å |
| 669 | I | 85.7 | Confident | 85.7 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 173.5 | -72.3 | 169.1 | 0 | 0 | 0 | 110.2 | V665 S666 R671 L672 Y673 | V665-I669 HydrophobicContact CG1-CD1 3.7Å; V665-I669 WeakPolarHBondContact O-CB 3.41Å; V665-I669 VanDerWaalsContact O-CG1 3.25Å; V665-I669 WeakPolarHBondContact O-CG1 3.32Å; V665-I669 PolarHBondContact O-N 3.01Å; S666-I669 PolarHBondContact O-N 3.31Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.07Å; I669-L672 PolarHBondContact O-N 3.06Å; I669-Y673 HydrophobicContact CG2-CD2 3.79Å; I669-Y673 HydrophobicContact CG2-CE2 4.05Å; I669-Y673 VanDerWaalsContact O-CD2 3.27Å; I669-Y673 WeakPolarHBondContact O-CD2 3.33Å; I669-Y673 PolarHBondContact O-N 3.38Å |
| 670 | Q | 85.7 | Confident | 86.2 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.5 | -41.4 | 176.1 | -72.6 | 174.2 | 4.1 | 0 | 0 | 112 | S666 S674 | S666-Q670 WeakPolarHBondContact O-CB 3.36Å; S666-Q670 VanDerWaalsContact O-CG 3.26Å; S666-Q670 WeakPolarHBondContact O-CG 3.5Å; S666-Q670 PolarHBondContact O-N 2.72Å; Q670-S674 WeakPolarHBondContact O-CA 3.28Å; Q670-S674 WeakPolarHBondContact O-CB 3.32Å; Q670-S674 PolarHBondContact O-N 3.42Å |
| 671 | R | 84.2 | Confident | 86.7 | Confident | 191 Ų | 191 | 75.7 Ų | 75.7 | 72% | 0.721 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.2 | -42.5 | 176.1 | -175.1 | 173.8 | 178.3 | 174.2 | -1.1 | 112.1 | A667 I668 I669 S674 | A667-R671 VanDerWaalsContact O-CB 3.24Å; A667-R671 WeakPolarHBondContact O-CB 3.16Å; A667-R671 PolarHBondContact O-N 2.77Å; I668-R671 PolarHBondContact O-N 3.21Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.07Å; R671-S674 WeakPolarHBondContact O-CB 3.31Å; R671-S674 PolarHBondContact O-N 3.5Å; R671-S674 PolarHBondContact O-OG 3.29Å |
| 672 | L | 81.6 | Confident | 87 | Confident | 125 Ų | 125 | 77.6 Ų | 77.6 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 178.6 | -179.5 | 63.8 | 0 | 0 | 0 | 111.6 | I668 I669 S674 | I668-L672 VanDerWaalsContact O-CB 3.28Å; I668-L672 WeakPolarHBondContact O-CB 3.3Å; I668-L672 PolarHBondContact O-N 3.29Å; I669-L672 PolarHBondContact O-N 3.06Å; L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 3.08Å |
| 673 | Y | 87 | Confident | 87.4 | Confident | 139 Ų | 139 | 73 Ų | 73 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84.8 | 0.7 | 179 | -67.9 | -69.1 | 0 | 0 | 0 | 114.1 | I669 G675 T676 A677 | I669-Y673 HydrophobicContact CG2-CD2 3.79Å; I669-Y673 HydrophobicContact CG2-CE2 4.05Å; I669-Y673 VanDerWaalsContact O-CD2 3.27Å; I669-Y673 WeakPolarHBondContact O-CD2 3.33Å; I669-Y673 PolarHBondContact O-N 3.38Å; Y673-G675 VanDerWaalsContact C-N 3.34Å; Y673-G675 PolarHBondContact O-N 3.15Å; Y673-T676 PolarHBondContact O-N 2.82Å; Y673-A677 VanDerWaalsContact O-CB 3.31Å; Y673-A677 WeakPolarHBondContact O-CB 3.46Å; Y673-A677 PolarHBondContact O-N 3.25Å |
| 674 | S | 86.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.4 | -41.7 | -175.1 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | Q670 R671 L672 R678 | Q670-S674 WeakPolarHBondContact O-CA 3.28Å; Q670-S674 WeakPolarHBondContact O-CB 3.32Å; Q670-S674 PolarHBondContact O-N 3.42Å; R671-S674 WeakPolarHBondContact O-CB 3.31Å; R671-S674 PolarHBondContact O-N 3.5Å; R671-S674 PolarHBondContact O-OG 3.29Å; L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 3.08Å; S674-R678 WeakPolarHBondContact O-CB 3.42Å; S674-R678 PolarHBondContact O-N 3.34Å |
| 675 | G | 85.1 | Confident | 88.2 | Confident | 35 Ų | 35 | 81.8 Ų | 81.8 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y673 A677 R678 Y679 W711 | Y673-G675 VanDerWaalsContact C-N 3.34Å; Y673-G675 PolarHBondContact O-N 3.15Å; G675-A677 PolarHBondContact O-N 3.25Å; G675-R678 PolarHBondContact O-N 3.44Å; G675-Y679 PolarHBondContact O-N 3.43Å; G675-W711 WeakPolarHBondContact O-CZ2 3.28Å |
| 676 | T | 88.2 | Confident | 88.6 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.8 | -45.4 | 0 | 0 | 0 | 0 | 112 | Y673 Y679 H680 | Y673-T676 PolarHBondContact O-N 2.82Å; T676-Y679 WeakPolarHBondContact O-CB 3.25Å; T676-Y679 PolarHBondContact O-N 3.12Å; T676-H680 PolarHBondContact O-CD2 2.86Å; T676-H680 PolarHBondContact O-N 3.17Å |
| 677 | A | 88.6 | Confident | 88.9 | Confident | 58 Ų | 58 | 83 Ų | 83 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y673 G675 H680 A681 | Y673-A677 VanDerWaalsContact O-CB 3.31Å; Y673-A677 WeakPolarHBondContact O-CB 3.46Å; Y673-A677 PolarHBondContact O-N 3.25Å; G675-A677 PolarHBondContact O-N 3.25Å; A677-H680 PolarHBondContact O-N 3.42Å; A677-A681 WeakPolarHBondContact O-CB 3.42Å; A677-A681 PolarHBondContact O-N 3.34Å |
| 678 | R | 88.9 | Confident | 89.3 | Confident | 97 Ų | 97 | 85.5 Ų | 85.5 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.4 | -178.2 | -179.6 | 156.9 | 124.5 | -14.3 | 111.8 | S674 G675 A681 Q682 W711 G716 | S674-R678 WeakPolarHBondContact O-CB 3.42Å; S674-R678 PolarHBondContact O-N 3.34Å; G675-R678 PolarHBondContact O-N 3.44Å; R678-A681 PolarHBondContact O-N 3.46Å; R678-Q682 PolarHBondContact O-N 3.33Å; R678-W711 HydrophobicContact CB-CH2 3.92Å; R678-W711 HydrophobicContact CG-CH2 3.68Å; R678-W711 HydrophobicContact CG-CZ3 4.1Å; R678-G716 PolarHBondContact NE-O 3.04Å; R678-G716 PolarHBondContact NH2-O 3.08Å |
| 679 | Y | 90.4 | Very high | 89.8 | Confident | 41 Ų | 41 | 88.7 Ų | 88.7 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.7 | -56.4 | 173.3 | 173.9 | -115.3 | 0 | 0 | 0 | 111.3 | G675 T676 A681 Q682 M683 F707 W711 | G675-Y679 PolarHBondContact O-N 3.43Å; T676-Y679 WeakPolarHBondContact O-CB 3.25Å; T676-Y679 PolarHBondContact O-N 3.12Å; Y679-A681 VanDerWaalsContact C-N 3.34Å; Y679-A681 PolarHBondContact O-N 3.28Å; Y679-Q682 PolarHBondContact O-N 3.47Å; Y679-Q682 VanDerWaalsContact O-N 3.14Å; Y679-M683 HydrophobicContact CE2-CE 4.28Å; Y679-M683 WeakPolarHBondContact O-CB 3.41Å; Y679-M683 PolarHBondContact O-N 2.92Å; Y679-M683 WeakPolarHBondContact OH-CE 3.43Å; Y679-F707 AromaticContact CD2-CE1 3.84Å; Y679-F707 HydrophobicContact CD2-CE1 3.84Å; Y679-F707 HydrophobicContact CE2-CD1 4.17Å; Y679-F707 AromaticContact CE2-CE1 3.72Å; Y679-F707 HydrophobicContact CE2-CE1 3.72Å; Y679-W711 HydrophobicContact CD2-CB 4.09Å; Y679-W711 AromaticContact CD2-CD1 3.63Å; Y679-W711 AromaticContact CD2-CD2 3.58Å; Y679-W711 HydrophobicContact CD2-CD2 3.58Å; Y679-W711 AromaticContact CD2-CE2 3.9Å; Y679-W711 HydrophobicContact CD2-CE3 4.15Å; Y679-W711 AromaticContact CD2-CG 3.48Å; Y679-W711 HydrophobicContact CD2-CG 3.48Å; Y679-W711 VanDerWaalsContact CD2-CG 3.48Å; Y679-W711 AromaticContact CD2-NE1 3.88Å; Y679-W711 HydrophobicContact CE2-CB 4.15Å; Y679-W711 HydrophobicContact CE2-CD2 4.5Å; Y679-W711 AromaticContact CE2-CG 3.98Å; Y679-W711 HydrophobicContact CE2-CG 3.98Å; Y679-W711 HydrophobicContact CG-CD2 4.28Å; Y679-W711 HydrophobicContact CG-CG 4.4Å |
| 680 | H | 91.9 | Very high | 90.2 | Very high | 100 Ų | 100 | 85 Ų | 85 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | -179.9 | -68.1 | -62 | 0 | 0 | 0 | 112.1 | T676 A677 Q682 M683 L684 | T676-H680 PolarHBondContact O-CD2 2.86Å; T676-H680 PolarHBondContact O-N 3.17Å; A677-H680 PolarHBondContact O-N 3.42Å; H680-Q682 VanDerWaalsContact C-N 3.28Å; H680-Q682 PolarHBondContact O-N 3.21Å; H680-M683 PolarHBondContact O-N 3.31Å; H680-L684 VanDerWaalsContact O-CB 3.28Å; H680-L684 WeakPolarHBondContact O-CB 3.44Å; H680-L684 VanDerWaalsContact O-CG 3.23Å; H680-L684 WeakPolarHBondContact O-CG 3.4Å; H680-L684 PolarHBondContact O-N 2.89Å |
| 681 | A | 91.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 87 Ų | 87 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.6 | -18 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A677 R678 Y679 R685 | A677-A681 WeakPolarHBondContact O-CB 3.42Å; A677-A681 PolarHBondContact O-N 3.34Å; R678-A681 PolarHBondContact O-N 3.46Å; Y679-A681 VanDerWaalsContact C-N 3.34Å; Y679-A681 PolarHBondContact O-N 3.28Å; A681-R685 PolarHBondContact O-NE 2.89Å; A681-R685 PolarHBondContact O-NH2 3.5Å |
| 682 | Q | 90.8 | Very high | 91.2 | Very high | 50 Ų | 50 | 85.5 Ų | 85.5 | 23% | 0.234 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -89.4 | -45.3 | 168.3 | -76.4 | -173.5 | -10.2 | 0 | 0 | 111.5 | R678 Y679 H680 L684 R685 V686 F707 | R678-Q682 PolarHBondContact O-N 3.33Å; Y679-Q682 PolarHBondContact O-N 3.47Å; Y679-Q682 VanDerWaalsContact O-N 3.14Å; H680-Q682 VanDerWaalsContact C-N 3.28Å; H680-Q682 PolarHBondContact O-N 3.21Å; Q682-L684 VanDerWaalsContact C-N 3.28Å; Q682-L684 PolarHBondContact O-N 2.81Å; Q682-R685 WeakPolarHBondContact O-CA 3.43Å; Q682-R685 WeakPolarHBondContact O-CB 3.3Å; Q682-R685 PolarHBondContact O-N 2.83Å; Q682-V686 PolarHBondContact O-N 2.84Å; Q682-F707 HydrophobicContact CB-CE1 4.27Å; Q682-F707 HydrophobicContact CB-CE2 4.06Å; Q682-F707 HydrophobicContact CB-CZ 3.45Å; Q682-F707 VanDerWaalsContact CB-CZ 3.45Å; Q682-F707 HydrophobicContact CG-CZ 4.48Å |
| 683 | M | 91.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 84.7 Ų | 84.7 | 6% | 0.064 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 176.1 | 178.7 | 59.2 | 86.4 | 0 | 0 | 112.3 | Y679 H680 V686 K687 F707 Q708 | Y679-M683 HydrophobicContact CE2-CE 4.28Å; Y679-M683 WeakPolarHBondContact O-CB 3.41Å; Y679-M683 PolarHBondContact O-N 2.92Å; Y679-M683 WeakPolarHBondContact OH-CE 3.43Å; H680-M683 PolarHBondContact O-N 3.31Å; M683-V686 PolarHBondContact O-N 2.84Å; M683-K687 HydrophobicContact CG-CD 4.21Å; M683-K687 WeakPolarHBondContact O-CB 3.4Å; M683-K687 WeakPolarHBondContact O-CG 3.4Å; M683-K687 PolarHBondContact O-N 3.13Å; M683-K687 HydrophobicContact SD-CD 4.21Å; M683-K687 VanDerWaalsContact SD-CE 3.57Å; M683-K687 HydrophobicContact SD-CG 4.31Å; M683-F707 HydrophobicContact CB-CD1 4.47Å; M683-F707 HydrophobicContact CB-CE1 4.13Å; M683-F707 HydrophobicContact CE-CD1 3.74Å; M683-F707 HydrophobicContact CE-CE1 4.42Å; M683-F707 HydrophobicContact SD-CD1 4.28Å; M683-Q708 HydrophobicContact CE-CB 4.47Å |
| 684 | L | 94.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 86.3 Ų | 86.3 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 173.2 | -76.9 | 168.3 | 0 | 0 | 0 | 112.1 | H680 Q682 K687 E688 | H680-L684 VanDerWaalsContact O-CB 3.28Å; H680-L684 WeakPolarHBondContact O-CB 3.44Å; H680-L684 VanDerWaalsContact O-CG 3.23Å; H680-L684 WeakPolarHBondContact O-CG 3.4Å; H680-L684 PolarHBondContact O-N 2.89Å; Q682-L684 VanDerWaalsContact C-N 3.28Å; Q682-L684 PolarHBondContact O-N 2.81Å; L684-K687 PolarHBondContact O-N 3.38Å; L684-E688 WeakPolarHBondContact O-CB 3.28Å; L684-E688 PolarHBondContact O-N 2.9Å |
| 685 | R | 94.8 | Very high | 92.7 | Very high | 154 Ų | 154 | 84.3 Ų | 84.3 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 174.8 | -78.9 | 179.4 | -79 | 168.1 | -12 | 112.2 | A681 Q682 E688 F689 | A681-R685 PolarHBondContact O-NE 2.89Å; A681-R685 PolarHBondContact O-NH2 3.5Å; Q682-R685 WeakPolarHBondContact O-CA 3.43Å; Q682-R685 WeakPolarHBondContact O-CB 3.3Å; Q682-R685 PolarHBondContact O-N 2.83Å; R685-E688 PolarHBondContact O-N 3.02Å; R685-F689 WeakPolarHBondContact O-CB 3.22Å; R685-F689 PolarHBondContact O-N 3.36Å |
| 686 | V | 94.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 86.5 Ų | 86.5 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62 | -45 | 173.2 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | Q682 M683 F689 I690 F707 | Q682-V686 PolarHBondContact O-N 2.84Å; M683-V686 PolarHBondContact O-N 2.84Å; V686-F689 PolarHBondContact O-N 2.8Å; V686-I690 HydrophobicContact CG1-CD1 3.74Å; V686-I690 WeakPolarHBondContact O-CB 3.01Å; V686-I690 WeakPolarHBondContact O-CD1 3.36Å; V686-I690 VanDerWaalsContact O-CG1 3.24Å; V686-I690 WeakPolarHBondContact O-CG1 3.41Å; V686-I690 PolarHBondContact O-N 2.87Å; V686-F707 HydrophobicContact CG2-CD2 4.11Å; V686-F707 HydrophobicContact CG2-CG 4.26Å |
| 687 | K | 93.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 88.7 Ų | 88.7 | 37% | 0.365 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.5 | -74.3 | 179.3 | 174.4 | -171.1 | 0 | 113.3 | M683 L684 R691 E704 | M683-K687 HydrophobicContact CG-CD 4.21Å; M683-K687 WeakPolarHBondContact O-CB 3.4Å; M683-K687 WeakPolarHBondContact O-CG 3.4Å; M683-K687 PolarHBondContact O-N 3.13Å; M683-K687 HydrophobicContact SD-CD 4.21Å; M683-K687 VanDerWaalsContact SD-CE 3.57Å; M683-K687 HydrophobicContact SD-CG 4.31Å; L684-K687 PolarHBondContact O-N 3.38Å; K687-R691 WeakPolarHBondContact O-CB 3.39Å; K687-R691 PolarHBondContact O-N 3.25Å; K687-E704 WeakPolarHBondContact CE-OE1 3.35Å; K687-E704 WeakPolarHBondContact CE-OE2 3.31Å; K687-E704 IonicContact NZ-OE2 2.69Å; K687-E704 PolarHBondContact NZ-OE2 2.91Å |
| 688 | E | 95.1 | Very high | 93.3 | Very high | 103 Ų | 103 | 90.7 Ų | 90.7 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 173.4 | 179.4 | 140.2 | -111.3 | 0 | 0 | 112 | L684 R685 I690 R691 F692 | L684-E688 WeakPolarHBondContact O-CB 3.28Å; L684-E688 PolarHBondContact O-N 2.9Å; R685-E688 PolarHBondContact O-N 3.02Å; E688-I690 PolarHBondContact O-N 2.86Å; E688-R691 WeakPolarHBondContact O-CB 3.39Å; E688-R691 PolarHBondContact O-N 2.92Å; E688-R691 VanDerWaalsContact O-N 3.17Å; E688-R691 IonicContact OE1-CZ 3.6Å; E688-R691 IonicContact OE1-NH2 3.43Å; E688-R691 PolarHBondContact OE1-NH2 2.96Å; E688-F692 WeakPolarHBondContact O-CB 3.31Å; E688-F692 PolarHBondContact O-N 3.29Å |
| 689 | F | 95.6 | Very high | 93.2 | Very high | 114 Ų | 114 | 90.1 Ų | 90.1 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.6 | 176.5 | -96.5 | 0 | 0 | 0 | 111.9 | R685 V686 R691 F692 H693 I695 | R685-F689 WeakPolarHBondContact O-CB 3.22Å; R685-F689 PolarHBondContact O-N 3.36Å; V686-F689 PolarHBondContact O-N 2.8Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.23Å; F689-F692 PolarHBondContact O-N 3.37Å; F689-H693 AromaticContact CD2-CD2 3.46Å; F689-H693 VanDerWaalsContact CD2-CD2 3.46Å; F689-H693 WeakPolarHBondContact CD2-CD2 3.22Å; F689-H693 AromaticContact CD2-NE2 3.69Å; F689-H693 AromaticContact CE2-CD2 3.28Å; F689-H693 WeakPolarHBondContact CE2-CD2 3.39Å; F689-H693 AromaticContact CE2-NE2 3.33Å; F689-H693 VanDerWaalsContact CE2-NE2 3.33Å; F689-H693 WeakPolarHBondContact CE2-NE2 3.36Å; F689-H693 AromaticContact CZ-CD2 3.72Å; F689-H693 PolarHBondContact O-CD2 3.32Å; F689-H693 PolarHBondContact O-N 3.42Å; F689-I695 HydrophobicContact CD1-CD1 3.93Å; F689-I695 HydrophobicContact CE1-CD1 3.67Å |
| 690 | I | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 92.8 Ų | 92.8 | 5% | 0.046 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.2 | -75.3 | 163.6 | 0 | 0 | 0 | 111.7 | V686 E688 Q694 I695 R700 L703 E704 | V686-I690 HydrophobicContact CG1-CD1 3.74Å; V686-I690 WeakPolarHBondContact O-CB 3.01Å; V686-I690 WeakPolarHBondContact O-CD1 3.36Å; V686-I690 VanDerWaalsContact O-CG1 3.24Å; V686-I690 WeakPolarHBondContact O-CG1 3.41Å; V686-I690 PolarHBondContact O-N 2.87Å; E688-I690 PolarHBondContact O-N 2.86Å; I690-Q694 PolarHBondContact O-N 2.88Å; I690-I695 HydrophobicContact CG1-CD1 4.1Å; I690-I695 HydrophobicContact CG2-CB 4.32Å; I690-I695 PolarHBondContact O-N 3.32Å; I690-R700 HydrophobicContact CD1-CG 4.28Å; I690-R700 HydrophobicContact CG2-CB 4.06Å; I690-R700 HydrophobicContact CG2-CG 3.78Å; I690-L703 HydrophobicContact CD1-CB 4.21Å; I690-L703 HydrophobicContact CD1-CD1 4.42Å; I690-L703 HydrophobicContact CG1-CD1 4.2Å; I690-E704 HydrophobicContact CD1-CG 4.12Å |
| 691 | R | 94.5 | Very high | 93.1 | Very high | 175 Ų | 175 | 93.4 Ų | 93.4 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 176.7 | 180 | 179.3 | 70.9 | 149.5 | -2.6 | 112.2 | K687 E688 F689 Q694 | K687-R691 WeakPolarHBondContact O-CB 3.39Å; K687-R691 PolarHBondContact O-N 3.25Å; E688-R691 WeakPolarHBondContact O-CB 3.39Å; E688-R691 PolarHBondContact O-N 2.92Å; E688-R691 VanDerWaalsContact O-N 3.17Å; E688-R691 IonicContact OE1-CZ 3.6Å; E688-R691 IonicContact OE1-NH2 3.43Å; E688-R691 PolarHBondContact OE1-NH2 2.96Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.23Å; R691-Q694 PolarHBondContact O-N 2.85Å |
| 692 | F | 96.3 | Very high | 92.8 | Very high | 159 Ų | 159 | 96 Ų | 96 | 70% | 0.697 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.1 | -46.2 | -176.1 | -177.5 | -97.2 | 0 | 0 | 0 | 111.8 | E688 F689 Q694 | E688-F692 WeakPolarHBondContact O-CB 3.31Å; E688-F692 PolarHBondContact O-N 3.29Å; F689-F692 PolarHBondContact O-N 3.37Å; F692-Q694 VanDerWaalsContact C-N 3.3Å; F692-Q694 PolarHBondContact O-N 3.43Å |
| 693 | H | 95.8 | Very high | 92.7 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 4.2 | 177.4 | -66.7 | -73.1 | 0 | 0 | 0 | 114.3 | F689 I695 | F689-H693 AromaticContact CD2-CD2 3.46Å; F689-H693 VanDerWaalsContact CD2-CD2 3.46Å; F689-H693 WeakPolarHBondContact CD2-CD2 3.22Å; F689-H693 AromaticContact CD2-NE2 3.69Å; F689-H693 AromaticContact CE2-CD2 3.28Å; F689-H693 WeakPolarHBondContact CE2-CD2 3.39Å; F689-H693 AromaticContact CE2-NE2 3.33Å; F689-H693 VanDerWaalsContact CE2-NE2 3.33Å; F689-H693 WeakPolarHBondContact CE2-NE2 3.36Å; F689-H693 AromaticContact CZ-CD2 3.72Å; F689-H693 PolarHBondContact O-CD2 3.32Å; F689-H693 PolarHBondContact O-N 3.42Å; H693-I695 VanDerWaalsContact C-N 3.27Å; H693-I695 HydrophobicContact CB-CD1 4.37Å; H693-I695 HydrophobicContact CB-CG1 3.91Å; H693-I695 PolarHBondContact O-N 2.96Å |
| 694 | Q | 95.5 | Very high | 92.6 | Very high | 172 Ų | 172 | 97.3 Ų | 97.3 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.8 | -179.4 | -54.5 | -174.3 | 29 | 0 | 0 | 113.5 | I690 R691 F692 | I690-Q694 PolarHBondContact O-N 2.88Å; R691-Q694 PolarHBondContact O-N 2.85Å; F692-Q694 VanDerWaalsContact C-N 3.3Å; F692-Q694 PolarHBondContact O-N 3.43Å |
| 695 | I | 94.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 96.7 Ų | 96.7 | 13% | 0.133 | 45% | 0.45 | C | S | . | . | trans | -62.2 | 130.3 | -171.9 | -62.7 | -173 | 0 | 0 | 0 | 110.7 | F689 I690 H693 L699 R700 L703 | F689-I695 HydrophobicContact CD1-CD1 3.93Å; F689-I695 HydrophobicContact CE1-CD1 3.67Å; I690-I695 HydrophobicContact CG1-CD1 4.1Å; I690-I695 HydrophobicContact CG2-CB 4.32Å; I690-I695 PolarHBondContact O-N 3.32Å; H693-I695 VanDerWaalsContact C-N 3.27Å; H693-I695 HydrophobicContact CB-CD1 4.37Å; H693-I695 HydrophobicContact CB-CG1 3.91Å; H693-I695 PolarHBondContact O-N 2.96Å; I695-L699 HydrophobicContact CG2-CB 3.92Å; I695-L699 HydrophobicContact CG2-CD2 3.98Å; I695-L699 HydrophobicContact CG2-CG 3.82Å; I695-R700 HydrophobicContact CG2-CB 4.3Å; I695-L703 HydrophobicContact CD1-CD1 3.95Å; I695-L703 HydrophobicContact CG2-CD1 4.23Å | ||
| 696 | P | 94.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 94.7 Ų | 94.7 | 53% | 0.526 | 44% | 0.444 | S | S | . | . | trans | -65.3 | 143.3 | -176 | 26.6 | -35.6 | 0 | 0 | 0 | 112.1 | P698 L699 R700 | P696-P698 VanDerWaalsContact C-CD 3.46Å; P696-P698 VanDerWaalsContact O-N 3.11Å; P696-L699 HydrophobicContact CG-CB 4.35Å; P696-L699 PolarHBondContact O-N 2.87Å; P696-R700 PolarHBondContact O-N 3.24Å | ||
| 697 | N | 90.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 94.7 Ų | 94.7 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -41.3 | -46.7 | -175.4 | -71.6 | -29.1 | 0 | 0 | 0 | 116.7 | R700 Q701 | N697-R700 WeakPolarHBondContact O-CB 3.32Å; N697-R700 PolarHBondContact O-N 3.08Å; N697-Q701 WeakPolarHBondContact O-CB 3.2Å; N697-Q701 PolarHBondContact O-N 3.37Å |
| 698 | P | 89.3 | Confident | 91.2 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 66% | 0.656 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 178.5 | 23.3 | -34.4 | 0 | 0 | 0 | 113.5 | P696 Q701 R702 | P696-P698 VanDerWaalsContact C-CD 3.46Å; P696-P698 VanDerWaalsContact O-N 3.11Å; P698-Q701 PolarHBondContact O-N 3.23Å; P698-R702 PolarHBondContact O-N 3.42Å; P698-R702 VanDerWaalsContact O-N 3.16Å |
| 699 | L | 88 | Confident | 90.7 | Very high | 85 Ų | 85 | 93.8 Ų | 93.8 | 45% | 0.445 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 176.8 | -179.6 | 56.4 | 0 | 0 | 0 | 111 | I695 P696 Q701 R702 L703 | I695-L699 HydrophobicContact CG2-CB 3.92Å; I695-L699 HydrophobicContact CG2-CD2 3.98Å; I695-L699 HydrophobicContact CG2-CG 3.82Å; P696-L699 HydrophobicContact CG-CB 4.35Å; P696-L699 PolarHBondContact O-N 2.87Å; L699-Q701 VanDerWaalsContact C-N 3.33Å; L699-Q701 PolarHBondContact O-N 3.19Å; L699-R702 PolarHBondContact O-N 3.44Å; L699-L703 HydrophobicContact CD1-CG 4.42Å; L699-L703 HydrophobicContact CG-CD1 4.24Å; L699-L703 WeakPolarHBondContact O-CB 3.36Å; L699-L703 VanDerWaalsContact O-CG 3.32Å; L699-L703 WeakPolarHBondContact O-CG 3.39Å; L699-L703 PolarHBondContact O-N 3Å |
| 700 | R | 89.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 90.1 Ų | 90.1 | 36% | 0.362 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 171.1 | 161.9 | 173.4 | -171.1 | -151.5 | -11.1 | 111.8 | I690 I695 P696 N697 L703 E704 | I690-R700 HydrophobicContact CD1-CG 4.28Å; I690-R700 HydrophobicContact CG2-CB 4.06Å; I690-R700 HydrophobicContact CG2-CG 3.78Å; I695-R700 HydrophobicContact CG2-CB 4.3Å; P696-R700 PolarHBondContact O-N 3.24Å; N697-R700 WeakPolarHBondContact O-CB 3.32Å; N697-R700 PolarHBondContact O-N 3.08Å; R700-L703 PolarHBondContact O-N 3.48Å; R700-E704 IonicContact CZ-OE1 3.37Å; R700-E704 IonicContact NE-OE1 2.64Å; R700-E704 PolarHBondContact NE-OE1 3.5Å; R700-E704 IonicContact NH2-OE1 3.55Å; R700-E704 PolarHBondContact NH2-OE1 3.06Å; R700-E704 PolarHBondContact O-N 3.21Å |
| 701 | Q | 89.4 | Confident | 89.7 | Confident | 113 Ų | 113 | 91.3 Ų | 91.3 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.3 | -49 | 179.5 | -178.3 | 171.8 | -10.1 | 0 | 0 | 110.9 | N697 P698 L699 L703 E704 E705 | N697-Q701 WeakPolarHBondContact O-CB 3.2Å; N697-Q701 PolarHBondContact O-N 3.37Å; P698-Q701 PolarHBondContact O-N 3.23Å; L699-Q701 VanDerWaalsContact C-N 3.33Å; L699-Q701 PolarHBondContact O-N 3.19Å; Q701-L703 PolarHBondContact O-N 3.28Å; Q701-E704 PolarHBondContact O-N 3.44Å; Q701-E705 HydrophobicContact CG-CG 4.23Å; Q701-E705 VanDerWaalsContact CG-OE1 3.23Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.31Å; Q701-E705 PolarHBondContact NE2-OE1 2.86Å; Q701-E705 WeakPolarHBondContact O-CB 3.48Å; Q701-E705 WeakPolarHBondContact O-CG 3.43Å; Q701-E705 PolarHBondContact O-N 3.01Å |
| 702 | R | 85.5 | Confident | 89.3 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 38% | 0.381 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.7 | -37.4 | 175 | -174.3 | 166.2 | 167.3 | -169.8 | -11 | 112.1 | P698 L699 Y706 D774 T775 | P698-R702 PolarHBondContact O-N 3.42Å; P698-R702 VanDerWaalsContact O-N 3.16Å; L699-R702 PolarHBondContact O-N 3.44Å; R702-Y706 WeakPolarHBondContact O-CB 3.4Å; R702-Y706 PolarHBondContact O-N 3.23Å; R702-D774 IonicContact CZ-OD1 2.91Å; R702-D774 IonicContact NE-OD1 2.86Å; R702-D774 PolarHBondContact NE-OD1 3.35Å; R702-D774 IonicContact NH2-OD1 2.97Å; R702-D774 PolarHBondContact NH2-OD1 3.03Å; R702-T775 PolarHBondContact NH2-OG1 3.32Å |
| 703 | L | 88.3 | Confident | 88.6 | Confident | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.293 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.4 | -46.2 | 175.1 | -73.6 | 169.7 | 0 | 0 | 0 | 113.9 | I690 I695 L699 R700 Q701 F707 | I690-L703 HydrophobicContact CD1-CB 4.21Å; I690-L703 HydrophobicContact CD1-CD1 4.42Å; I690-L703 HydrophobicContact CG1-CD1 4.2Å; I695-L703 HydrophobicContact CD1-CD1 3.95Å; I695-L703 HydrophobicContact CG2-CD1 4.23Å; L699-L703 HydrophobicContact CD1-CG 4.42Å; L699-L703 HydrophobicContact CG-CD1 4.24Å; L699-L703 WeakPolarHBondContact O-CB 3.36Å; L699-L703 VanDerWaalsContact O-CG 3.32Å; L699-L703 WeakPolarHBondContact O-CG 3.39Å; L699-L703 PolarHBondContact O-N 3Å; R700-L703 PolarHBondContact O-N 3.48Å; Q701-L703 PolarHBondContact O-N 3.28Å; L703-F707 WeakPolarHBondContact O-CB 3.28Å; L703-F707 PolarHBondContact O-N 2.98Å |
| 704 | E | 90.3 | Very high | 87.9 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.7 | -72.4 | -170.5 | -144.8 | 0 | 0 | 111.2 | K687 I690 R700 Q701 Q708 | K687-E704 WeakPolarHBondContact CE-OE1 3.35Å; K687-E704 WeakPolarHBondContact CE-OE2 3.31Å; K687-E704 IonicContact NZ-OE2 2.69Å; K687-E704 PolarHBondContact NZ-OE2 2.91Å; I690-E704 HydrophobicContact CD1-CG 4.12Å; R700-E704 IonicContact CZ-OE1 3.37Å; R700-E704 IonicContact NE-OE1 2.64Å; R700-E704 PolarHBondContact NE-OE1 3.5Å; R700-E704 IonicContact NH2-OE1 3.55Å; R700-E704 PolarHBondContact NH2-OE1 3.06Å; R700-E704 PolarHBondContact O-N 3.21Å; Q701-E704 PolarHBondContact O-N 3.44Å; E704-Q708 WeakPolarHBondContact O-CB 3.12Å; E704-Q708 PolarHBondContact O-N 2.88Å |
| 705 | E | 87.3 | Confident | 87.3 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 177.1 | -71.7 | 175.2 | 178.9 | 0 | 0 | 112.6 | Q701 F707 Q708 H709 | Q701-E705 HydrophobicContact CG-CG 4.23Å; Q701-E705 VanDerWaalsContact CG-OE1 3.23Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.31Å; Q701-E705 PolarHBondContact NE2-OE1 2.86Å; Q701-E705 WeakPolarHBondContact O-CB 3.48Å; Q701-E705 WeakPolarHBondContact O-CG 3.43Å; Q701-E705 PolarHBondContact O-N 3.01Å; E705-F707 PolarHBondContact O-N 3.07Å; E705-Q708 PolarHBondContact O-N 2.77Å; E705-H709 WeakPolarHBondContact O-CB 3.33Å; E705-H709 PolarHBondContact O-N 3.3Å |
| 706 | Y | 84.3 | Confident | 86.5 | Confident | 112 Ų | 112 | 80 Ų | 80 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 175 | 169.8 | -98.5 | 0 | 0 | 0 | 111.4 | R702 Q708 H709 S710 P771 | R702-Y706 WeakPolarHBondContact O-CB 3.4Å; R702-Y706 PolarHBondContact O-N 3.23Å; Y706-Q708 PolarHBondContact O-N 2.93Å; Y706-H709 PolarHBondContact O-N 3.17Å; Y706-S710 WeakPolarHBondContact O-CB 3.3Å; Y706-S710 PolarHBondContact O-N 2.69Å; Y706-P771 HydrophobicContact CD2-CG 4.37Å |
| 707 | F | 87.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 80.9 Ų | 80.9 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 179.4 | -177.8 | -92.8 | 0 | 0 | 0 | 111.7 | Y679 Q682 M683 V686 L703 E705 W711 | Y679-F707 AromaticContact CD2-CE1 3.84Å; Y679-F707 HydrophobicContact CD2-CE1 3.84Å; Y679-F707 HydrophobicContact CE2-CD1 4.17Å; Y679-F707 AromaticContact CE2-CE1 3.72Å; Y679-F707 HydrophobicContact CE2-CE1 3.72Å; Q682-F707 HydrophobicContact CB-CE1 4.27Å; Q682-F707 HydrophobicContact CB-CE2 4.06Å; Q682-F707 HydrophobicContact CB-CZ 3.45Å; Q682-F707 VanDerWaalsContact CB-CZ 3.45Å; Q682-F707 HydrophobicContact CG-CZ 4.48Å; M683-F707 HydrophobicContact CB-CD1 4.47Å; M683-F707 HydrophobicContact CB-CE1 4.13Å; M683-F707 HydrophobicContact CE-CD1 3.74Å; M683-F707 HydrophobicContact CE-CE1 4.42Å; M683-F707 HydrophobicContact SD-CD1 4.28Å; V686-F707 HydrophobicContact CG2-CD2 4.11Å; V686-F707 HydrophobicContact CG2-CG 4.26Å; L703-F707 WeakPolarHBondContact O-CB 3.28Å; L703-F707 PolarHBondContact O-N 2.98Å; E705-F707 PolarHBondContact O-N 3.07Å; F707-W711 HydrophobicContact CZ-CE3 4.06Å; F707-W711 VanDerWaalsContact O-CB 3.29Å; F707-W711 WeakPolarHBondContact O-CB 3.39Å; F707-W711 PolarHBondContact O-N 2.91Å |
| 708 | Q | 89.1 | Confident | 84.8 | Confident | 104 Ų | 104 | 77.9 Ų | 77.9 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 176.6 | -177.7 | 171.8 | -18.5 | 0 | 0 | 111.8 | M683 E704 E705 Y706 W711 T712 | M683-Q708 HydrophobicContact CE-CB 4.47Å; E704-Q708 WeakPolarHBondContact O-CB 3.12Å; E704-Q708 PolarHBondContact O-N 2.88Å; E705-Q708 PolarHBondContact O-N 2.77Å; Y706-Q708 PolarHBondContact O-N 2.93Å; Q708-W711 PolarHBondContact O-N 3.18Å; Q708-T712 PolarHBondContact O-N 3.12Å; Q708-T712 PolarHBondContact O-OG1 3.12Å; Q708-T712 VanDerWaalsContact O-OG1 3.08Å |
| 709 | H | 83.4 | Confident | 84 | Confident | 63 Ų | 63 | 77 Ų | 77 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 178.7 | -179 | -95.5 | 0 | 0 | 0 | 112 | E705 Y706 W711 T712 Y713 Y834 | E705-H709 WeakPolarHBondContact O-CB 3.33Å; E705-H709 PolarHBondContact O-N 3.3Å; Y706-H709 PolarHBondContact O-N 3.17Å; H709-W711 VanDerWaalsContact C-N 3.32Å; H709-W711 PolarHBondContact O-N 3.49Å; H709-T712 PolarHBondContact O-N 3.27Å; H709-Y713 WeakPolarHBondContact O-CB 3.49Å; H709-Y713 PolarHBondContact O-N 3.02Å; H709-Y834 AromaticContact CD2-CE1 3.51Å; H709-Y834 AromaticContact CD2-CZ 3.95Å; H709-Y834 AromaticContact CE1-CD1 3.49Å; H709-Y834 VanDerWaalsContact CE1-CD1 3.49Å; H709-Y834 WeakPolarHBondContact CE1-CD1 3.3Å; H709-Y834 AromaticContact CE1-CE1 3.69Å; H709-Y834 AromaticContact CG-CE1 3.79Å; H709-Y834 AromaticContact ND1-CE1 3.88Å; H709-Y834 AromaticContact NE2-CD1 3.5Å; H709-Y834 WeakPolarHBondContact NE2-CD1 3.16Å; H709-Y834 AromaticContact NE2-CE1 3.46Å; H709-Y834 WeakPolarHBondContact NE2-CE1 3.14Å |
| 710 | S | 82.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | Y706 Y713 T714 | Y706-S710 WeakPolarHBondContact O-CB 3.3Å; Y706-S710 PolarHBondContact O-N 2.69Å; S710-Y713 PolarHBondContact O-N 3.18Å; S710-T714 WeakPolarHBondContact O-CB 3.18Å; S710-T714 WeakPolarHBondContact O-CG2 3.35Å; S710-T714 PolarHBondContact O-N 2.95Å; S710-T714 PolarHBondContact O-OG1 2.63Å |
| 711 | W | 86.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 76 Ų | 76 | 13% | 0.125 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 173.4 | -176.2 | -80.8 | 0 | 0 | 0 | 112.5 | G675 R678 Y679 F707 Q708 H709 Y713 T714 N715 G716 | G675-W711 WeakPolarHBondContact O-CZ2 3.28Å; R678-W711 HydrophobicContact CB-CH2 3.92Å; R678-W711 HydrophobicContact CG-CH2 3.68Å; R678-W711 HydrophobicContact CG-CZ3 4.1Å; Y679-W711 HydrophobicContact CD2-CB 4.09Å; Y679-W711 AromaticContact CD2-CD1 3.63Å; Y679-W711 AromaticContact CD2-CD2 3.58Å; Y679-W711 HydrophobicContact CD2-CD2 3.58Å; Y679-W711 AromaticContact CD2-CE2 3.9Å; Y679-W711 HydrophobicContact CD2-CE3 4.15Å; Y679-W711 AromaticContact CD2-CG 3.48Å; Y679-W711 HydrophobicContact CD2-CG 3.48Å; Y679-W711 VanDerWaalsContact CD2-CG 3.48Å; Y679-W711 AromaticContact CD2-NE1 3.88Å; Y679-W711 HydrophobicContact CE2-CB 4.15Å; Y679-W711 HydrophobicContact CE2-CD2 4.5Å; Y679-W711 AromaticContact CE2-CG 3.98Å; Y679-W711 HydrophobicContact CE2-CG 3.98Å; Y679-W711 HydrophobicContact CG-CD2 4.28Å; Y679-W711 HydrophobicContact CG-CG 4.4Å; F707-W711 HydrophobicContact CZ-CE3 4.06Å; F707-W711 VanDerWaalsContact O-CB 3.29Å; F707-W711 WeakPolarHBondContact O-CB 3.39Å; F707-W711 PolarHBondContact O-N 2.91Å; Q708-W711 PolarHBondContact O-N 3.18Å; H709-W711 VanDerWaalsContact C-N 3.32Å; H709-W711 PolarHBondContact O-N 3.49Å; W711-Y713 VanDerWaalsContact C-N 3.3Å; W711-Y713 PolarHBondContact O-N 3.04Å; W711-T714 PolarHBondContact O-N 3.28Å; W711-N715 WeakPolarHBondContact O-CA 3.34Å; W711-N715 PolarHBondContact O-N 3.03Å; W711-G716 VanDerWaalsContact CE3-CA 3.43Å; W711-G716 VanDerWaalsContact CZ3-CA 3.4Å; W711-G716 PolarHBondContact O-N 2.97Å |
| 712 | T | 86 | Confident | 80.7 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.3 | -34.7 | 178.1 | -61 | 0 | 0 | 0 | 0 | 112.4 | Q708 H709 | Q708-T712 PolarHBondContact O-N 3.12Å; Q708-T712 PolarHBondContact O-OG1 3.12Å; Q708-T712 VanDerWaalsContact O-OG1 3.08Å; H709-T712 PolarHBondContact O-N 3.27Å |
| 713 | Y | 81.2 | Confident | 80.5 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.8 | -44.1 | 176.9 | -174.8 | -94.6 | 0 | 0 | 0 | 112.8 | H709 S710 W711 H769 | H709-Y713 WeakPolarHBondContact O-CB 3.49Å; H709-Y713 PolarHBondContact O-N 3.02Å; S710-Y713 PolarHBondContact O-N 3.18Å; W711-Y713 VanDerWaalsContact C-N 3.3Å; W711-Y713 PolarHBondContact O-N 3.04Å; Y713-H769 AromaticContact CD1-NE2 3.99Å; Y713-H769 AromaticContact CE1-CD2 3.99Å; Y713-H769 AromaticContact CE1-CE1 3.36Å; Y713-H769 WeakPolarHBondContact CE1-CE1 3.3Å; Y713-H769 AromaticContact CE1-NE2 3.29Å; Y713-H769 VanDerWaalsContact CE1-NE2 3.29Å; Y713-H769 WeakPolarHBondContact CE1-NE2 3.49Å; Y713-H769 AromaticContact CZ-CE1 3.48Å; Y713-H769 VanDerWaalsContact CZ-CE1 3.48Å; Y713-H769 AromaticContact CZ-NE2 3.92Å; Y713-H769 PolarHBondContact OH-CE1 3.16Å |
| 714 | T | 82.4 | Confident | 80.2 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -88.3 | -10.1 | -176.5 | 60 | 0 | 0 | 0 | 0 | 114.6 | S710 W711 G716 I717 | S710-T714 WeakPolarHBondContact O-CB 3.18Å; S710-T714 WeakPolarHBondContact O-CG2 3.35Å; S710-T714 PolarHBondContact O-N 2.95Å; S710-T714 PolarHBondContact O-OG1 2.63Å; W711-T714 PolarHBondContact O-N 3.28Å; T714-G716 PolarHBondContact O-N 3.09Å; T714-G716 VanDerWaalsContact O-N 3.15Å; T714-G716 PolarHBondContact OG1-N 3.34Å; T714-G716 VanDerWaalsContact OG1-N 3.15Å; T714-I717 WeakPolarHBondContact O-CB 3.18Å; T714-I717 PolarHBondContact O-N 3.09Å; T714-I717 VanDerWaalsContact O-N 3.11Å |
| 715 | N | 82.4 | Confident | 79.9 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 24.1 | -162.9 | -64.7 | -72 | 0 | 0 | 0 | 113.9 | W711 I717 | W711-N715 WeakPolarHBondContact O-CA 3.34Å; W711-N715 PolarHBondContact O-N 3.03Å; N715-I717 VanDerWaalsContact C-N 3.3Å; N715-I717 PolarHBondContact O-N 3.33Å |
| 716 | G | 77.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 76 Ų | 76 | 9% | 0.093 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 11.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R678 W711 T714 | R678-G716 PolarHBondContact NE-O 3.04Å; R678-G716 PolarHBondContact NH2-O 3.08Å; W711-G716 VanDerWaalsContact CE3-CA 3.43Å; W711-G716 VanDerWaalsContact CZ3-CA 3.4Å; W711-G716 PolarHBondContact O-N 2.97Å; T714-G716 PolarHBondContact O-N 3.09Å; T714-G716 VanDerWaalsContact O-N 3.15Å; T714-G716 PolarHBondContact OG1-N 3.34Å; T714-G716 VanDerWaalsContact OG1-N 3.15Å |
| 717 | I | 81.3 | Confident | 80 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | trans | -88.4 | 122.7 | 179.7 | -56.2 | 174.7 | 0 | 0 | 0 | 109.4 | T714 N715 M719 V723 | T714-I717 WeakPolarHBondContact O-CB 3.18Å; T714-I717 PolarHBondContact O-N 3.09Å; T714-I717 VanDerWaalsContact O-N 3.11Å; N715-I717 VanDerWaalsContact C-N 3.3Å; N715-I717 PolarHBondContact O-N 3.33Å; I717-M719 PolarHBondContact O-N 3.44Å; I717-V723 HydrophobicContact CG2-CG2 3.46Å; I717-V723 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 718 | D | 69.9 | Low | 80.1 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | trans | -86.1 | 101.4 | 173 | -174.4 | -22 | 0 | 0 | 0 | 110.2 | N720 T721 Q722 V723 | D718-N720 PolarHBondContact OD1-N 3.41Å; D718-T721 PolarHBondContact OD1-N 3.34Å; D718-T721 WeakPolarHBondContact OD2-CB 3.49Å; D718-T721 VanDerWaalsContact OD2-CG2 3.3Å; D718-T721 WeakPolarHBondContact OD2-CG2 3.32Å; D718-T721 PolarHBondContact OD2-OG1 3.47Å; D718-Q722 HydrophobicContact CB-CB 4.49Å; D718-Q722 HydrophobicContact CB-CG 4.22Å; D718-Q722 PolarHBondContact O-N 3.02Å; D718-V723 PolarHBondContact O-N 2.99Å; D718-V723 VanDerWaalsContact O-N 3.16Å | ||
| 719 | M | 70.8 | Confident | 79.9 | Confident | 81 Ų | 81 | 79.4 Ų | 79.4 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | I | π-helix | trans | -59.9 | -44.7 | 178.4 | -171.4 | 63.9 | 70.1 | 0 | 0 | 112.2 | I717 V723 L724 | I717-M719 PolarHBondContact O-N 3.44Å; M719-V723 HydrophobicContact SD-CB 4.27Å; M719-V723 HydrophobicContact SD-CG1 4.15Å; M719-L724 HydrophobicContact CG-CD1 4.21Å; M719-L724 WeakPolarHBondContact O-CB 3.23Å; M719-L724 WeakPolarHBondContact O-CG 3.2Å; M719-L724 PolarHBondContact O-N 2.89Å |
| 720 | N | 65.6 | Low | 80.1 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | I | π-helix | trans | -85.2 | -33.4 | -165 | -68.4 | -4.8 | 0 | 0 | 0 | 112.8 | D718 | D718-N720 PolarHBondContact OD1-N 3.41Å |
| 721 | T | 63.3 | Low | 80.5 | Confident | 73 Ų | 73 | 83.8 Ų | 83.8 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | I | π-helix | trans | -101.9 | -29.9 | -177.4 | 83.3 | 0 | 0 | 0 | 0 | 114.3 | D718 K725 | D718-T721 PolarHBondContact OD1-N 3.34Å; D718-T721 WeakPolarHBondContact OD2-CB 3.49Å; D718-T721 VanDerWaalsContact OD2-CG2 3.3Å; D718-T721 WeakPolarHBondContact OD2-CG2 3.32Å; D718-T721 PolarHBondContact OD2-OG1 3.47Å; T721-K725 WeakPolarHBondContact O-CD 3.19Å |
| 722 | Q | 68.9 | Low | 80.6 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | I | π-helix | trans | -110.9 | -45 | -173.5 | -57.4 | -161 | -47.7 | 0 | 0 | 113.4 | D718 | D718-Q722 HydrophobicContact CB-CB 4.49Å; D718-Q722 HydrophobicContact CB-CG 4.22Å; D718-Q722 PolarHBondContact O-N 3.02Å |
| 723 | V | 82.3 | Confident | 80.8 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | I | π-helix | trans | -77.2 | -56.1 | -175.7 | 178.8 | 0 | 0 | 0 | 0 | 112 | I717 D718 M719 K725 G726 F727 | I717-V723 HydrophobicContact CG2-CG2 3.46Å; I717-V723 VanDerWaalsContact CG2-CG2 3.46Å; D718-V723 PolarHBondContact O-N 2.99Å; D718-V723 VanDerWaalsContact O-N 3.16Å; M719-V723 HydrophobicContact SD-CB 4.27Å; M719-V723 HydrophobicContact SD-CG1 4.15Å; V723-K725 VanDerWaalsContact C-N 3.33Å; V723-K725 PolarHBondContact O-N 3.46Å; V723-G726 PolarHBondContact O-N 2.85Å; V723-G726 VanDerWaalsContact O-N 3.09Å; V723-F727 HydrophobicContact CG1-CE2 4.02Å; V723-F727 WeakPolarHBondContact O-CD2 3.3Å; V723-F727 WeakPolarHBondContact O-CE2 3.3Å |
| 724 | L | 82.6 | Confident | 81.2 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.073 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -60.1 | -41.1 | -175.9 | -79.9 | 165.4 | 0 | 0 | 0 | 112.4 | M719 G726 F727 Q732 I735 | M719-L724 HydrophobicContact CG-CD1 4.21Å; M719-L724 WeakPolarHBondContact O-CB 3.23Å; M719-L724 WeakPolarHBondContact O-CG 3.2Å; M719-L724 PolarHBondContact O-N 2.89Å; L724-G726 PolarHBondContact O-N 3.36Å; L724-G726 VanDerWaalsContact O-N 3.1Å; L724-F727 PolarHBondContact O-N 2.66Å; L724-Q732 HydrophobicContact CD2-CB 4.26Å; L724-Q732 HydrophobicContact CD2-CG 4.41Å; L724-Q732 VanDerWaalsContact O-CD 3.27Å; L724-Q732 WeakPolarHBondContact O-CG 3.4Å; L724-Q732 PolarHBondContact O-NE2 2.81Å; L724-I735 HydrophobicContact CD2-CB 4.25Å; L724-I735 HydrophobicContact CD2-CG2 3.86Å |
| 725 | K | 83.5 | Confident | 81.6 | Confident | 154 Ų | 154 | 76.9 Ų | 76.9 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -64.1 | -14.5 | 178.4 | -61.9 | -164.7 | -176.1 | -177.7 | 0 | 114.8 | T721 V723 F727 | T721-K725 WeakPolarHBondContact O-CD 3.19Å; V723-K725 VanDerWaalsContact C-N 3.33Å; V723-K725 PolarHBondContact O-N 3.46Å; K725-F727 VanDerWaalsContact C-N 3.27Å |
| 726 | G | 84.8 | Confident | 82 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -76 | -11.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V723 L724 | V723-G726 PolarHBondContact O-N 2.85Å; V723-G726 VanDerWaalsContact O-N 3.09Å; L724-G726 PolarHBondContact O-N 3.36Å; L724-G726 VanDerWaalsContact O-N 3.1Å |
| 727 | F | 88.6 | Confident | 82.6 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -109.1 | 152.1 | -178.9 | -60 | -73.8 | 0 | 0 | 0 | 111.7 | V723 L724 K725 L731 Q732 I735 | V723-F727 HydrophobicContact CG1-CE2 4.02Å; V723-F727 WeakPolarHBondContact O-CD2 3.3Å; V723-F727 WeakPolarHBondContact O-CE2 3.3Å; L724-F727 PolarHBondContact O-N 2.66Å; K725-F727 VanDerWaalsContact C-N 3.27Å; F727-L731 HydrophobicContact CB-CB 4.17Å; F727-Q732 HydrophobicContact CB-CG 4.14Å; F727-Q732 PolarHBondContact O-NE2 2.91Å; F727-I735 HydrophobicContact CD2-CD1 3.93Å; F727-I735 HydrophobicContact CE2-CD1 4.18Å; F727-I735 HydrophobicContact CG-CD1 4.22Å |
| 728 | P | 90.4 | Very high | 83 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | trans | -65.1 | 150.6 | 168.9 | 29.1 | -35.9 | 0 | 0 | 0 | 111.1 | C730 L731 Q732 | P728-C730 VanDerWaalsContact C-N 3.27Å; P728-C730 PolarHBondContact O-N 3.17Å; P728-C730 VanDerWaalsContact O-N 3.11Å; P728-L731 HydrophobicContact CG-CB 4.25Å; P728-L731 HydrophobicContact CG-CD1 3.95Å; P728-L731 HydrophobicContact CG-CG 4.11Å; P728-L731 WeakPolarHBondContact O-CA 3.26Å; P728-L731 PolarHBondContact O-N 2.93Å; P728-Q732 PolarHBondContact O-N 3.26Å | ||
| 729 | E | 85.1 | Confident | 83.8 | Confident | 151 Ų | 151 | 76.4 Ų | 76.4 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -52.1 | -38.8 | -172.8 | -63.6 | 176.4 | 170.4 | 0 | 0 | 114 | L731 Q732 A733 | E729-L731 VanDerWaalsContact C-N 3.27Å; E729-L731 PolarHBondContact O-N 2.84Å; E729-Q732 WeakPolarHBondContact O-CB 3.47Å; E729-Q732 PolarHBondContact O-N 3.41Å; E729-A733 WeakPolarHBondContact O-CB 3.48Å; E729-A733 PolarHBondContact O-N 3.23Å |
| 730 | C | 87.6 | Confident | 84.7 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.3 | -35.2 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | P728 D734 | P728-C730 VanDerWaalsContact C-N 3.27Å; P728-C730 PolarHBondContact O-N 3.17Å; P728-C730 VanDerWaalsContact O-N 3.11Å; C730-D734 PolarHBondContact O-N 2.68Å |
| 731 | L | 89.8 | Confident | 85.7 | Confident | 89 Ų | 89 | 72.8 Ų | 72.8 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -82.5 | -34.8 | 174.8 | -70.4 | -178.7 | 0 | 0 | 0 | 111.7 | F727 P728 E729 A733 D734 I735 | F727-L731 HydrophobicContact CB-CB 4.17Å; P728-L731 HydrophobicContact CG-CB 4.25Å; P728-L731 HydrophobicContact CG-CD1 3.95Å; P728-L731 HydrophobicContact CG-CG 4.11Å; P728-L731 WeakPolarHBondContact O-CA 3.26Å; P728-L731 PolarHBondContact O-N 2.93Å; E729-L731 VanDerWaalsContact C-N 3.27Å; E729-L731 PolarHBondContact O-N 2.84Å; L731-A733 VanDerWaalsContact C-N 3.3Å; L731-A733 PolarHBondContact O-N 3.42Å; L731-D734 PolarHBondContact O-N 2.94Å; L731-I735 WeakPolarHBondContact O-CB 3.47Å; L731-I735 WeakPolarHBondContact O-CD1 3.44Å; L731-I735 WeakPolarHBondContact O-CG1 3.49Å; L731-I735 PolarHBondContact O-N 2.83Å |
| 732 | Q | 89.8 | Confident | 86.7 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.2 | -48.2 | 170.7 | -62.1 | -176.9 | 32.6 | 0 | 0 | 110.4 | L724 F727 P728 E729 D734 I735 C736 M763 | L724-Q732 HydrophobicContact CD2-CB 4.26Å; L724-Q732 HydrophobicContact CD2-CG 4.41Å; L724-Q732 VanDerWaalsContact O-CD 3.27Å; L724-Q732 WeakPolarHBondContact O-CG 3.4Å; L724-Q732 PolarHBondContact O-NE2 2.81Å; F727-Q732 HydrophobicContact CB-CG 4.14Å; F727-Q732 PolarHBondContact O-NE2 2.91Å; P728-Q732 PolarHBondContact O-N 3.26Å; E729-Q732 WeakPolarHBondContact O-CB 3.47Å; E729-Q732 PolarHBondContact O-N 3.41Å; Q732-D734 PolarHBondContact O-N 2.88Å; Q732-I735 PolarHBondContact O-N 3.39Å; Q732-C736 WeakPolarHBondContact O-CB 3.33Å; Q732-C736 PolarHBondContact O-N 2.75Å; Q732-C736 PolarHBondContact O-SG 2.97Å; Q732-M763 VanDerWaalsContact C-SD 3.56Å; Q732-M763 HydrophobicContact CB-CE 3.81Å; Q732-M763 HydrophobicContact CB-SD 3.79Å |
| 733 | A | 89.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E729 L731 L737 R759 M763 | E729-A733 WeakPolarHBondContact O-CB 3.48Å; E729-A733 PolarHBondContact O-N 3.23Å; L731-A733 VanDerWaalsContact C-N 3.3Å; L731-A733 PolarHBondContact O-N 3.42Å; A733-L737 WeakPolarHBondContact O-CB 3.24Å; A733-L737 PolarHBondContact O-N 3.24Å; A733-R759 HydrophobicContact CB-CB 4.07Å; A733-R759 HydrophobicContact CB-CG 4.08Å; A733-M763 HydrophobicContact CB-CG 3.95Å; A733-M763 HydrophobicContact CB-SD 4.2Å |
| 734 | D | 90.6 | Very high | 87.8 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -32.1 | 174.9 | -83.5 | 0.1 | 0 | 0 | 0 | 112.2 | C730 L731 Q732 H738 R759 | C730-D734 PolarHBondContact O-N 2.68Å; L731-D734 PolarHBondContact O-N 2.94Å; Q732-D734 PolarHBondContact O-N 2.88Å; D734-H738 PolarHBondContact O-N 2.82Å; D734-R759 IonicContact OD1-CZ 3.2Å; D734-R759 IonicContact OD1-NE 2.76Å; D734-R759 PolarHBondContact OD1-NE 2.84Å; D734-R759 IonicContact OD1-NH2 3.58Å; D734-R759 PolarHBondContact OD1-NH2 3.14Å; D734-R759 IonicContact OD2-NH2 3.66Å |
| 735 | I | 90.9 | Very high | 87.9 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.5 | -50.6 | 172.4 | -70.6 | 161.8 | 0 | 0 | 0 | 110.7 | L724 F727 L731 Q732 L737 H738 L739 | L724-I735 HydrophobicContact CD2-CB 4.25Å; L724-I735 HydrophobicContact CD2-CG2 3.86Å; F727-I735 HydrophobicContact CD2-CD1 3.93Å; F727-I735 HydrophobicContact CE2-CD1 4.18Å; F727-I735 HydrophobicContact CG-CD1 4.22Å; L731-I735 WeakPolarHBondContact O-CB 3.47Å; L731-I735 WeakPolarHBondContact O-CD1 3.44Å; L731-I735 WeakPolarHBondContact O-CG1 3.49Å; L731-I735 PolarHBondContact O-N 2.83Å; Q732-I735 PolarHBondContact O-N 3.39Å; I735-L737 VanDerWaalsContact C-N 3.29Å; I735-L737 PolarHBondContact O-N 3.38Å; I735-H738 WeakPolarHBondContact O-CA 3.38Å; I735-H738 WeakPolarHBondContact O-CB 3.33Å; I735-H738 PolarHBondContact O-N 3.49Å; I735-L739 HydrophobicContact CG2-CD1 4.1Å; I735-L739 HydrophobicContact CG2-CG 4.42Å; I735-L739 WeakPolarHBondContact O-CG 3.47Å; I735-L739 PolarHBondContact O-N 3.42Å |
| 736 | C | 88.8 | Confident | 88 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 179.7 | -67.5 | 0 | 0 | 0 | 0 | 112 | Q732 H738 L739 N740 A762 M763 | Q732-C736 WeakPolarHBondContact O-CB 3.33Å; Q732-C736 PolarHBondContact O-N 2.75Å; Q732-C736 PolarHBondContact O-SG 2.97Å; C736-H738 VanDerWaalsContact C-N 3.31Å; C736-H738 PolarHBondContact O-N 3.21Å; C736-L739 PolarHBondContact O-N 2.73Å; C736-N740 WeakPolarHBondContact O-CB 3.35Å; C736-N740 PolarHBondContact O-N 3.21Å; C736-N740 PolarHBondContact O-ND2 3.47Å; C736-A762 HydrophobicContact CB-CB 4.19Å; C736-A762 WeakPolarHBondContact CB-O 3.27Å; C736-M763 HydrophobicContact CB-SD 4.07Å |
| 737 | L | 91 | Very high | 88 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 171.3 | -179 | 63.9 | 0 | 0 | 0 | 111.9 | A733 I735 K741 L744 L758 R759 A762 | A733-L737 WeakPolarHBondContact O-CB 3.24Å; A733-L737 PolarHBondContact O-N 3.24Å; I735-L737 VanDerWaalsContact C-N 3.29Å; I735-L737 PolarHBondContact O-N 3.38Å; L737-K741 WeakPolarHBondContact O-CA 3.44Å; L737-K741 PolarHBondContact O-N 2.77Å; L737-K741 VanDerWaalsContact O-N 3.12Å; L737-L744 HydrophobicContact CD1-CD1 3.68Å; L737-L758 HydrophobicContact CD1-CB 4.07Å; L737-R759 HydrophobicContact CD2-CG 4.31Å; L737-A762 HydrophobicContact CB-CB 4.28Å |
| 738 | H | 89.8 | Confident | 87.8 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.625 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.3 | -43.4 | 174.2 | -176.7 | 71 | 0 | 0 | 0 | 112.5 | D734 I735 C736 K741 | D734-H738 PolarHBondContact O-N 2.82Å; I735-H738 WeakPolarHBondContact O-CA 3.38Å; I735-H738 WeakPolarHBondContact O-CB 3.33Å; I735-H738 PolarHBondContact O-N 3.49Å; C736-H738 VanDerWaalsContact C-N 3.31Å; C736-H738 PolarHBondContact O-N 3.21Å; H738-K741 WeakPolarHBondContact O-CB 3.29Å; H738-K741 PolarHBondContact O-N 2.78Å |
| 739 | L | 86.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.9 | -68 | 172.7 | 0 | 0 | 0 | 111.5 | I735 C736 K741 | I735-L739 HydrophobicContact CG2-CD1 4.1Å; I735-L739 HydrophobicContact CG2-CG 4.42Å; I735-L739 WeakPolarHBondContact O-CG 3.47Å; I735-L739 PolarHBondContact O-N 3.42Å; C736-L739 PolarHBondContact O-N 2.73Å; L739-K741 VanDerWaalsContact C-N 3.31Å; L739-K741 PolarHBondContact O-N 3.36Å |
| 740 | N | 88.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 4.9 | -179.1 | -65.5 | -58.6 | 0 | 0 | 0 | 113.9 | C736 N742 L743 L744 A762 | C736-N740 WeakPolarHBondContact O-CB 3.35Å; C736-N740 PolarHBondContact O-N 3.21Å; C736-N740 PolarHBondContact O-ND2 3.47Å; N740-N742 VanDerWaalsContact C-N 3.28Å; N740-N742 PolarHBondContact O-N 3.15Å; N740-L743 WeakPolarHBondContact O-CB 3.33Å; N740-L743 PolarHBondContact O-N 3.43Å; N740-L744 HydrophobicContact CB-CD1 4.14Å; N740-L744 HydrophobicContact CB-CG 4.49Å; N740-L744 PolarHBondContact O-N 3Å; N740-L744 VanDerWaalsContact O-N 3.14Å; N740-A762 PolarHBondContact ND2-O 3.25Å |
| 741 | K | 87.3 | Confident | 87.6 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.1 | -43.1 | -175.6 | -175 | 176.4 | -169.2 | -71.8 | 0 | 113.3 | L737 H738 L739 L743 L744 E745 | L737-K741 WeakPolarHBondContact O-CA 3.44Å; L737-K741 PolarHBondContact O-N 2.77Å; L737-K741 VanDerWaalsContact O-N 3.12Å; H738-K741 WeakPolarHBondContact O-CB 3.29Å; H738-K741 PolarHBondContact O-N 2.78Å; L739-K741 VanDerWaalsContact C-N 3.31Å; L739-K741 PolarHBondContact O-N 3.36Å; K741-L743 PolarHBondContact O-N 3.26Å; K741-L744 PolarHBondContact O-N 2.83Å; K741-E745 WeakPolarHBondContact CE-OE1 3.22Å; K741-E745 HydrophobicContact CG-CG 4.23Å; K741-E745 WeakPolarHBondContact CG-OE2 3.46Å; K741-E745 IonicContact NZ-OE1 3.61Å; K741-E745 PolarHBondContact NZ-OE1 3.04Å; K741-E745 IonicContact NZ-OE2 2.69Å; K741-E745 PolarHBondContact NZ-OE2 2.96Å; K741-E745 WeakPolarHBondContact O-CB 3.41Å; K741-E745 WeakPolarHBondContact O-CG 3.47Å; K741-E745 PolarHBondContact O-N 3.38Å |
| 742 | N | 84.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.4 | -26 | 180 | -66 | -62.3 | 0 | 0 | 0 | 113.5 | N740 N746 | N740-N742 VanDerWaalsContact C-N 3.28Å; N740-N742 PolarHBondContact O-N 3.15Å; N742-N746 VanDerWaalsContact O-CB 3.32Å; N742-N746 WeakPolarHBondContact O-CB 3.29Å; N742-N746 VanDerWaalsContact O-CG 3.26Å; N742-N746 PolarHBondContact O-ND2 3.46Å |
| 743 | L | 86.6 | Confident | 87.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.9 | -49.9 | 175.7 | 176.5 | 158.2 | 0 | 0 | 0 | 109.7 | N740 K741 E745 N746 C747 F750 F765 F788 | N740-L743 WeakPolarHBondContact O-CB 3.33Å; N740-L743 PolarHBondContact O-N 3.43Å; K741-L743 PolarHBondContact O-N 3.26Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 2.93Å; L743-N746 PolarHBondContact O-N 3.1Å; L743-C747 WeakPolarHBondContact O-CB 3.4Å; L743-C747 PolarHBondContact O-N 3.43Å; L743-F750 HydrophobicContact CD2-CD2 3.93Å; L743-F750 HydrophobicContact CD2-CE2 3.43Å; L743-F750 VanDerWaalsContact CD2-CE2 3.43Å; L743-F750 HydrophobicContact CD2-CZ 4.14Å; L743-F765 HydrophobicContact CD1-CD1 4.29Å; L743-F765 HydrophobicContact CD1-CE1 3.83Å; L743-F765 HydrophobicContact CD1-CZ 4.07Å; L743-F765 HydrophobicContact CD2-CE1 4.29Å; L743-F765 HydrophobicContact CD2-CE2 3.91Å; L743-F765 HydrophobicContact CD2-CZ 3.67Å; L743-F788 HydrophobicContact CD1-CB 3.48Å; L743-F788 VanDerWaalsContact CD1-CB 3.48Å; L743-F788 HydrophobicContact CD1-CD1 4.09Å; L743-F788 HydrophobicContact CD1-CD2 4.16Å; L743-F788 HydrophobicContact CD1-CG 3.68Å; L743-F788 HydrophobicContact CD2-CD1 4.47Å; L743-F788 HydrophobicContact CG-CB 4.26Å; L743-F788 HydrophobicContact CG-CD1 4.21Å; L743-F788 HydrophobicContact CG-CG 4.3Å |
| 744 | L | 87.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68 | -26.9 | -173.9 | -61.9 | 169.5 | 0 | 0 | 0 | 113.2 | L737 N740 K741 F750 L758 A762 F765 | L737-L744 HydrophobicContact CD1-CD1 3.68Å; N740-L744 HydrophobicContact CB-CD1 4.14Å; N740-L744 HydrophobicContact CB-CG 4.49Å; N740-L744 PolarHBondContact O-N 3Å; N740-L744 VanDerWaalsContact O-N 3.14Å; K741-L744 PolarHBondContact O-N 2.83Å; L744-F750 HydrophobicContact CD2-CB 4.2Å; L744-F750 HydrophobicContact CD2-CD1 4.06Å; L744-F750 HydrophobicContact CD2-CD2 3.88Å; L744-F750 HydrophobicContact CD2-CE1 4.44Å; L744-F750 HydrophobicContact CD2-CE2 4.29Å; L744-F750 HydrophobicContact CD2-CG 3.77Å; L744-L758 HydrophobicContact CB-CD2 4.32Å; L744-L758 HydrophobicContact CD1-CD2 4.35Å; L744-L758 HydrophobicContact CD2-CD2 3.97Å; L744-L758 HydrophobicContact CG-CD2 4.44Å; L744-A762 HydrophobicContact CD1-CB 4.34Å; L744-F765 HydrophobicContact CD2-CE2 4.16Å |
| 745 | E | 85.4 | Confident | 87.2 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -20.3 | 175.1 | -69.1 | 179.8 | 159.6 | 0 | 0 | 114.2 | K741 L743 | K741-E745 WeakPolarHBondContact CE-OE1 3.22Å; K741-E745 HydrophobicContact CG-CG 4.23Å; K741-E745 WeakPolarHBondContact CG-OE2 3.46Å; K741-E745 IonicContact NZ-OE1 3.61Å; K741-E745 PolarHBondContact NZ-OE1 3.04Å; K741-E745 IonicContact NZ-OE2 2.69Å; K741-E745 PolarHBondContact NZ-OE2 2.96Å; K741-E745 WeakPolarHBondContact O-CB 3.41Å; K741-E745 WeakPolarHBondContact O-CG 3.47Å; K741-E745 PolarHBondContact O-N 3.38Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 2.93Å |
| 746 | N | 84.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -27.5 | -179.3 | -76.9 | -39.2 | 0 | 0 | 0 | 113.4 | N742 L743 | N742-N746 VanDerWaalsContact O-CB 3.32Å; N742-N746 WeakPolarHBondContact O-CB 3.29Å; N742-N746 VanDerWaalsContact O-CG 3.26Å; N742-N746 PolarHBondContact O-ND2 3.46Å; L743-N746 PolarHBondContact O-N 3.1Å |
| 747 | C | 84.3 | Confident | 87.3 | Confident | 16 Ų | 16 | 63 Ų | 63 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -94.4 | 108.9 | -175.6 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | L743 A749 F750 | L743-C747 WeakPolarHBondContact O-CB 3.4Å; L743-C747 PolarHBondContact O-N 3.43Å; C747-A749 PolarHBondContact O-N 3.33Å; C747-F750 HydrophobicContact CB-CD2 3.76Å; C747-F750 HydrophobicContact CB-CE2 3.95Å; C747-F750 PolarHBondContact O-N 3.02Å | ||
| 748 | K | 84.7 | Confident | 87.4 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -43 | -38.6 | -179.3 | -54.4 | 174.7 | -165 | 158.6 | 0 | 114 | F750 E751 E864 | K748-F750 PolarHBondContact O-N 3.18Å; K748-E751 WeakPolarHBondContact O-CB 3.48Å; K748-E751 PolarHBondContact O-N 3.07Å; K748-E864 IonicContact NZ-OE2 2.76Å; K748-E864 PolarHBondContact NZ-OE2 3.27Å |
| 749 | A | 86.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.4 | -21.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C747 F855 F859 N862 L863 | C747-A749 PolarHBondContact O-N 3.33Å; A749-F855 VanDerWaalsContact O-CE2 3.28Å; A749-F855 WeakPolarHBondContact O-CE2 3.34Å; A749-F855 VanDerWaalsContact O-CZ 3.27Å; A749-F855 WeakPolarHBondContact O-CZ 3.48Å; A749-F859 HydrophobicContact CB-CD2 3.71Å; A749-F859 HydrophobicContact CB-CE2 3.83Å; A749-N862 HydrophobicContact CB-CB 4.43Å; A749-L863 HydrophobicContact CB-CB 4.31Å; A749-L863 HydrophobicContact CB-CD1 4.27Å |
| 750 | F | 88.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -101.2 | -2.2 | 176.8 | -53.6 | -67 | 0 | 0 | 0 | 114.5 | L743 L744 C747 K748 G752 A753 L758 L761 F765 F788 F855 F859 | L743-F750 HydrophobicContact CD2-CD2 3.93Å; L743-F750 HydrophobicContact CD2-CE2 3.43Å; L743-F750 VanDerWaalsContact CD2-CE2 3.43Å; L743-F750 HydrophobicContact CD2-CZ 4.14Å; L744-F750 HydrophobicContact CD2-CB 4.2Å; L744-F750 HydrophobicContact CD2-CD1 4.06Å; L744-F750 HydrophobicContact CD2-CD2 3.88Å; L744-F750 HydrophobicContact CD2-CE1 4.44Å; L744-F750 HydrophobicContact CD2-CE2 4.29Å; L744-F750 HydrophobicContact CD2-CG 3.77Å; C747-F750 HydrophobicContact CB-CD2 3.76Å; C747-F750 HydrophobicContact CB-CE2 3.95Å; C747-F750 PolarHBondContact O-N 3.02Å; K748-F750 PolarHBondContact O-N 3.18Å; F750-G752 VanDerWaalsContact C-N 3.34Å; F750-G752 PolarHBondContact O-N 3.43Å; F750-A753 WeakPolarHBondContact O-CB 3.37Å; F750-A753 PolarHBondContact O-N 2.86Å; F750-A753 VanDerWaalsContact O-N 3.08Å; F750-L758 HydrophobicContact CB-CD2 4.14Å; F750-L761 HydrophobicContact CD1-CD1 3.72Å; F750-L761 HydrophobicContact CE1-CD1 3.74Å; F750-F765 HydrophobicContact CE2-CZ 4.49Å; F750-F765 HydrophobicContact CZ-CE2 4.26Å; F750-F765 AromaticContact CZ-CZ 3.93Å; F750-F765 HydrophobicContact CZ-CZ 3.93Å; F750-F788 AromaticContact CE2-CE1 3.84Å; F750-F788 HydrophobicContact CE2-CE1 3.84Å; F750-F788 HydrophobicContact CE2-CZ 4.21Å; F750-F788 HydrophobicContact CZ-CE1 4.04Å; F750-F788 AromaticContact CZ-CZ 3.93Å; F750-F788 HydrophobicContact CZ-CZ 3.93Å; F750-F855 AromaticContact CD1-CZ 3.99Å; F750-F855 HydrophobicContact CD1-CZ 3.99Å; F750-F859 HydrophobicContact CD1-CD2 4.34Å; F750-F859 HydrophobicContact CD1-CE2 4.19Å; F750-F859 HydrophobicContact CE1-CD2 4.01Å; F750-F859 AromaticContact CE1-CE2 3.46Å; F750-F859 HydrophobicContact CE1-CE2 3.46Å; F750-F859 VanDerWaalsContact CE1-CE2 3.46Å; F750-F859 HydrophobicContact CE1-CZ 4.36Å; F750-F859 AromaticContact CZ-CE2 3.71Å; F750-F859 HydrophobicContact CZ-CE2 3.71Å; F750-F859 HydrophobicContact CZ-CZ 4.45Å |
| 751 | E | 84.6 | Confident | 87.8 | Confident | 162 Ų | 162 | 57 Ų | 57 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -36.4 | -176.3 | -170 | 174.4 | 177.7 | 0 | 0 | 112.2 | K748 A753 | K748-E751 WeakPolarHBondContact O-CB 3.48Å; K748-E751 PolarHBondContact O-N 3.07Å; E751-A753 VanDerWaalsContact C-N 3.28Å; E751-A753 PolarHBondContact O-N 3.13Å |
| 752 | G | 81.6 | Confident | 88 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 2.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F750 | F750-G752 VanDerWaalsContact C-N 3.34Å; F750-G752 PolarHBondContact O-N 3.43Å |
| 753 | A | 89.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | trans | -78.5 | 138.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F750 E751 L758 F855 | F750-A753 WeakPolarHBondContact O-CB 3.37Å; F750-A753 PolarHBondContact O-N 2.86Å; F750-A753 VanDerWaalsContact O-N 3.08Å; E751-A753 VanDerWaalsContact C-N 3.28Å; E751-A753 PolarHBondContact O-N 3.13Å; A753-L758 HydrophobicContact CB-CD1 4.39Å; A753-L758 HydrophobicContact CB-CD2 3.62Å; A753-L758 HydrophobicContact CB-CG 3.65Å; A753-F855 HydrophobicContact CB-CD2 3.88Å; A753-F855 HydrophobicContact CB-CE2 3.49Å; A753-F855 VanDerWaalsContact CB-CE2 3.49Å; A753-F855 HydrophobicContact CB-CZ 3.84Å | ||
| 754 | T | 91.6 | Very high | 88.4 | Confident | 70 Ų | 70 | 55 Ų | 55 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | trans | -69.1 | 155.1 | 172.9 | 75 | 0 | 0 | 0 | 0 | 111.5 | G756 C757 L758 | T754-G756 PolarHBondContact O-N 3.47Å; T754-G756 VanDerWaalsContact O-N 3.07Å; T754-G756 PolarHBondContact OG1-N 2.76Å; T754-C757 PolarHBondContact O-N 3.46Å; T754-C757 VanDerWaalsContact O-N 3.08Å; T754-C757 PolarHBondContact OG1-N 3.41Å; T754-C757 VanDerWaalsContact OG1-N 3.15Å; T754-L758 WeakPolarHBondContact O-CG 3.46Å; T754-L758 PolarHBondContact O-N 2.91Å | ||
| 755 | K | 88.9 | Confident | 88.5 | Confident | 169 Ų | 169 | 55.1 Ų | 55.1 | 74% | 0.735 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.2 | 175.4 | -65.8 | 178.6 | -178.9 | 172.5 | 0 | 114.4 | R759 | K755-R759 PolarHBondContact O-NH1 3.22Š|
| 756 | G | 89.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -53.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T754 L758 R759 A760 Y852 | T754-G756 PolarHBondContact O-N 3.47Å; T754-G756 VanDerWaalsContact O-N 3.07Å; T754-G756 PolarHBondContact OG1-N 2.76Å; G756-L758 PolarHBondContact O-N 2.9Å; G756-R759 WeakPolarHBondContact O-CB 3.42Å; G756-R759 PolarHBondContact O-N 2.96Å; G756-R759 VanDerWaalsContact O-N 3.1Å; G756-A760 PolarHBondContact O-N 3.5Å; G756-A760 VanDerWaalsContact O-N 3.07Å; G756-Y852 VanDerWaalsContact C-OH 3.24Å |
| 757 | C | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | T754 R759 A760 L761 Y852 F855 | T754-C757 PolarHBondContact O-N 3.46Å; T754-C757 VanDerWaalsContact O-N 3.08Å; T754-C757 PolarHBondContact OG1-N 3.41Å; T754-C757 VanDerWaalsContact OG1-N 3.15Å; C757-R759 PolarHBondContact O-N 3.41Å; C757-R759 VanDerWaalsContact O-N 3.15Å; C757-A760 PolarHBondContact O-N 3.04Å; C757-A760 VanDerWaalsContact O-N 3.09Å; C757-L761 WeakPolarHBondContact O-CG 3.28Å; C757-L761 PolarHBondContact O-N 3.46Å; C757-Y852 HydrophobicContact CB-CD1 3.99Å; C757-Y852 HydrophobicContact CB-CD2 3.84Å; C757-Y852 HydrophobicContact CB-CE1 4.1Å; C757-Y852 HydrophobicContact CB-CE2 3.98Å; C757-Y852 HydrophobicContact CB-CG 3.86Å; C757-Y852 PolarHBondContact N-OH 3.47Å; C757-F855 WeakPolarHBondContact SG-CD1 3.41Å |
| 758 | L | 92.2 | Very high | 88.7 | Confident | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.6 | -33.8 | 176.4 | -72.8 | 173.1 | 0 | 0 | 0 | 113.3 | L737 L744 F750 A753 T754 G756 A762 | L737-L758 HydrophobicContact CD1-CB 4.07Å; L744-L758 HydrophobicContact CB-CD2 4.32Å; L744-L758 HydrophobicContact CD1-CD2 4.35Å; L744-L758 HydrophobicContact CD2-CD2 3.97Å; L744-L758 HydrophobicContact CG-CD2 4.44Å; F750-L758 HydrophobicContact CB-CD2 4.14Å; A753-L758 HydrophobicContact CB-CD1 4.39Å; A753-L758 HydrophobicContact CB-CD2 3.62Å; A753-L758 HydrophobicContact CB-CG 3.65Å; T754-L758 WeakPolarHBondContact O-CG 3.46Å; T754-L758 PolarHBondContact O-N 2.91Å; G756-L758 PolarHBondContact O-N 2.9Å; L758-A762 WeakPolarHBondContact O-CB 3.42Å; L758-A762 PolarHBondContact O-N 2.95Å |
| 759 | R | 91.6 | Very high | 88.7 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -75.3 | -42.9 | 176.3 | -80.1 | -175.2 | 179.9 | 109.5 | -10.9 | 112.3 | A733 D734 L737 K755 G756 C757 A762 M763 | A733-R759 HydrophobicContact CB-CB 4.07Å; A733-R759 HydrophobicContact CB-CG 4.08Å; D734-R759 IonicContact OD1-CZ 3.2Å; D734-R759 IonicContact OD1-NE 2.76Å; D734-R759 PolarHBondContact OD1-NE 2.84Å; D734-R759 IonicContact OD1-NH2 3.58Å; D734-R759 PolarHBondContact OD1-NH2 3.14Å; D734-R759 IonicContact OD2-NH2 3.66Å; L737-R759 HydrophobicContact CD2-CG 4.31Å; K755-R759 PolarHBondContact O-NH1 3.22Å; G756-R759 WeakPolarHBondContact O-CB 3.42Å; G756-R759 PolarHBondContact O-N 2.96Å; G756-R759 VanDerWaalsContact O-N 3.1Å; C757-R759 PolarHBondContact O-N 3.41Å; C757-R759 VanDerWaalsContact O-N 3.15Å; R759-A762 PolarHBondContact O-N 3.01Å; R759-M763 WeakPolarHBondContact O-CG 3.49Å; R759-M763 PolarHBondContact O-N 3.16Å |
| 760 | A | 91.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G756 C757 M763 R764 V848 Y852 | G756-A760 PolarHBondContact O-N 3.5Å; G756-A760 VanDerWaalsContact O-N 3.07Å; C757-A760 PolarHBondContact O-N 3.04Å; C757-A760 VanDerWaalsContact O-N 3.09Å; A760-M763 PolarHBondContact O-N 2.96Å; A760-R764 PolarHBondContact O-N 2.66Å; A760-V848 HydrophobicContact CB-CG1 3.76Å; A760-V848 HydrophobicContact CB-CG2 4.05Å; A760-Y852 HydrophobicContact CB-CE2 4.31Å |
| 761 | L | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 173.2 | -68.2 | 170.7 | 0 | 0 | 0 | 111.8 | F750 C757 M763 R764 F765 I840 L845 V848 F855 | F750-L761 HydrophobicContact CD1-CD1 3.72Å; F750-L761 HydrophobicContact CE1-CD1 3.74Å; C757-L761 WeakPolarHBondContact O-CG 3.28Å; C757-L761 PolarHBondContact O-N 3.46Å; L761-M763 PolarHBondContact O-N 3.35Å; L761-R764 PolarHBondContact O-N 2.66Å; L761-F765 HydrophobicContact CB-CD2 4.41Å; L761-F765 HydrophobicContact CB-CE2 4.23Å; L761-F765 VanDerWaalsContact O-CD2 3.23Å; L761-F765 WeakPolarHBondContact O-CD2 3.48Å; L761-F765 PolarHBondContact O-N 3.16Å; L761-I840 HydrophobicContact CD2-CD1 4.2Å; L761-L845 HydrophobicContact CD2-CD1 3.71Å; L761-V848 HydrophobicContact CD2-CB 4.15Å; L761-V848 HydrophobicContact CD2-CG1 3.7Å; L761-V848 HydrophobicContact CG-CG1 3.83Å; L761-F855 HydrophobicContact CD1-CE1 4.06Å |
| 762 | A | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -32.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C736 L737 N740 L744 L758 R759 | C736-A762 HydrophobicContact CB-CB 4.19Å; C736-A762 WeakPolarHBondContact CB-O 3.27Å; L737-A762 HydrophobicContact CB-CB 4.28Å; N740-A762 PolarHBondContact ND2-O 3.25Å; L744-A762 HydrophobicContact CD1-CB 4.34Å; L758-A762 WeakPolarHBondContact O-CB 3.42Å; L758-A762 PolarHBondContact O-N 2.95Å; R759-A762 PolarHBondContact O-N 3.01Å |
| 763 | M | 89.1 | Confident | 89.1 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 37% | 0.365 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.1 | -23.9 | 174.8 | -75.4 | -64.5 | -68.2 | 0 | 0 | 113.8 | Q732 A733 C736 R759 A760 L761 | Q732-M763 VanDerWaalsContact C-SD 3.56Å; Q732-M763 HydrophobicContact CB-CE 3.81Å; Q732-M763 HydrophobicContact CB-SD 3.79Å; A733-M763 HydrophobicContact CB-CG 3.95Å; A733-M763 HydrophobicContact CB-SD 4.2Å; C736-M763 HydrophobicContact CB-SD 4.07Å; R759-M763 WeakPolarHBondContact O-CG 3.49Å; R759-M763 PolarHBondContact O-N 3.16Å; A760-M763 PolarHBondContact O-N 2.96Å; L761-M763 PolarHBondContact O-N 3.35Å |
| 764 | R | 89.8 | Confident | 89 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -88.9 | -28.8 | 176 | -65.9 | -55.4 | -168.9 | 167.1 | -11.5 | 113.2 | A760 L761 R766 I840 D844 E847 V848 | A760-R764 PolarHBondContact O-N 2.66Å; L761-R764 PolarHBondContact O-N 2.66Å; R764-R766 PolarHBondContact O-N 3.22Å; R764-I840 HydrophobicContact CB-CD1 3.98Å; R764-I840 HydrophobicContact CB-CG1 4.18Å; R764-D844 HydrophobicContact CB-CB 3.97Å; R764-D844 WeakPolarHBondContact CD-OD1 3.37Å; R764-D844 HydrophobicContact CG-CB 3.99Å; R764-D844 IonicContact CZ-OD1 3.77Å; R764-D844 IonicContact NE-OD1 2.7Å; R764-D844 IonicContact NH1-OD1 3.41Å; R764-D844 PolarHBondContact NH1-OD1 3.13Å; R764-E847 IonicContact CZ-OE2 3.63Å; R764-E847 VanDerWaalsContact CZ-OE2 3.29Å; R764-E847 IonicContact NE-OE2 2.74Å; R764-E847 PolarHBondContact NE-OE2 2.88Å; R764-E847 IonicContact NH2-OE1 3.15Å; R764-E847 PolarHBondContact NH2-OE1 3.35Å; R764-E847 IonicContact NH2-OE2 2.87Å; R764-E847 PolarHBondContact NH2-OE2 3.19Å; R764-V848 HydrophobicContact CG-CG2 4.09Å |
| 765 | F | 89.6 | Confident | 88.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | trans | -61.3 | 129.2 | 176.4 | -88.5 | -65.1 | 0 | 0 | 0 | 112.9 | L743 L744 F750 L761 F788 I840 | L743-F765 HydrophobicContact CD1-CD1 4.29Å; L743-F765 HydrophobicContact CD1-CE1 3.83Å; L743-F765 HydrophobicContact CD1-CZ 4.07Å; L743-F765 HydrophobicContact CD2-CE1 4.29Å; L743-F765 HydrophobicContact CD2-CE2 3.91Å; L743-F765 HydrophobicContact CD2-CZ 3.67Å; L744-F765 HydrophobicContact CD2-CE2 4.16Å; F750-F765 HydrophobicContact CE2-CZ 4.49Å; F750-F765 HydrophobicContact CZ-CE2 4.26Å; F750-F765 AromaticContact CZ-CZ 3.93Å; F750-F765 HydrophobicContact CZ-CZ 3.93Å; L761-F765 HydrophobicContact CB-CD2 4.41Å; L761-F765 HydrophobicContact CB-CE2 4.23Å; L761-F765 VanDerWaalsContact O-CD2 3.23Å; L761-F765 WeakPolarHBondContact O-CD2 3.48Å; L761-F765 PolarHBondContact O-N 3.16Å; F765-F788 AromaticContact CE1-CD2 3.76Å; F765-F788 HydrophobicContact CE1-CD2 3.76Å; F765-F788 AromaticContact CE1-CE2 3.71Å; F765-F788 HydrophobicContact CE1-CE2 3.71Å; F765-F788 HydrophobicContact CE1-CZ 4.47Å; F765-F788 HydrophobicContact CZ-CD2 4.31Å; F765-F788 AromaticContact CZ-CE2 3.94Å; F765-F788 HydrophobicContact CZ-CE2 3.94Å; F765-F788 HydrophobicContact CZ-CZ 4.27Å; F765-I840 HydrophobicContact CD1-CB 3.9Å; F765-I840 HydrophobicContact CD2-CD1 4.5Å; F765-I840 HydrophobicContact CE1-CB 3.83Å; F765-I840 HydrophobicContact CE1-CG2 3.97Å; F765-I840 HydrophobicContact CE2-CD1 4.4Å; F765-I840 HydrophobicContact CZ-CB 4.47Å; F765-I840 HydrophobicContact CZ-CD1 4.4Å; F765-I840 HydrophobicContact CZ-CG2 4.41Å | ||
| 766 | R | 87.2 | Confident | 89 | Confident | 119 Ų | 119 | 41.9 Ų | 41.9 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.8 | 173.8 | -56 | -174.2 | -167.1 | 173.4 | 14.9 | 110.2 | R764 T839 D844 | R764-R766 PolarHBondContact O-N 3.22Å; R766-T839 PolarHBondContact N-O 3.26Å; R766-T839 PolarHBondContact O-N 2.92Å; R766-T839 PolarHBondContact O-OG1 3.21Å; R766-D844 IonicContact NH2-OD2 2.72Å |
| 767 | T | 85.8 | Confident | 89.1 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132.8 | 170.2 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 768 | T | 84.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.9 | 175.7 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | L837 | T768-L837 PolarHBondContact N-O 3.39Å; T768-L837 PolarHBondContact O-N 3.46Å; T768-L837 VanDerWaalsContact O-O 3.07Å; T768-L837 WeakPolarHBondContact OG1-CD1 3.5Å; T768-L837 WeakPolarHBondContact OG1-CG 3.48Å; T768-L837 PolarHBondContact OG1-O 2.97Å; T768-L837 VanDerWaalsContact OG1-O 3.1Å |
| 769 | H | 85.8 | Confident | 89 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.269 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.5 | -173.9 | -60.3 | -78.6 | 0 | 0 | 0 | 109.6 | Y713 C835 D836 | Y713-H769 AromaticContact CD1-NE2 3.99Å; Y713-H769 AromaticContact CE1-CD2 3.99Å; Y713-H769 AromaticContact CE1-CE1 3.36Å; Y713-H769 WeakPolarHBondContact CE1-CE1 3.3Å; Y713-H769 AromaticContact CE1-NE2 3.29Å; Y713-H769 VanDerWaalsContact CE1-NE2 3.29Å; Y713-H769 WeakPolarHBondContact CE1-NE2 3.49Å; Y713-H769 AromaticContact CZ-CE1 3.48Å; Y713-H769 VanDerWaalsContact CZ-CE1 3.48Å; Y713-H769 AromaticContact CZ-NE2 3.92Å; Y713-H769 PolarHBondContact OH-CE1 3.16Å; H769-C835 WeakPolarHBondContact CA-O 3.43Å; H769-D836 IonicContact CE1-OD1 2.76Å; H769-D836 PolarHBondContact CE1-OD1 2.87Å; H769-D836 VanDerWaalsContact CE1-OD1 3.32Å; H769-D836 IonicContact CG-OD1 3.21Å; H769-D836 IonicContact ND1-OD1 3.55Å; H769-D836 PolarHBondContact ND1-OD1 3.14Å |
| 770 | A | 86.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L776 A831 Y834 C835 L837 | A770-L776 HydrophobicContact CB-CD1 4.36Å; A770-L776 HydrophobicContact CB-CD2 4.09Å; A770-L776 HydrophobicContact CB-CG 4.34Å; A770-A831 HydrophobicContact CB-CB 3.84Å; A770-Y834 WeakPolarHBondContact O-CA 3.33Å; A770-C835 HydrophobicContact CB-CB 4.38Å; A770-C835 PolarHBondContact N-O 3.06Å; A770-C835 PolarHBondContact O-N 3.23Å; A770-L837 HydrophobicContact CB-CD2 3.88Å |
| 771 | P | 86.8 | Confident | 88.8 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 162.9 | 169.3 | 27.3 | -28.8 | 0 | 0 | 0 | 112.1 | Y706 D774 A831 Y834 | Y706-P771 HydrophobicContact CD2-CG 4.37Å; P771-D774 HydrophobicContact CG-CB 3.87Å; P771-D774 WeakPolarHBondContact O-CB 3.2Å; P771-D774 PolarHBondContact O-N 3.28Å; P771-A831 WeakPolarHBondContact O-CB 3.41Å; P771-Y834 HydrophobicContact CB-CD1 4.18Å; P771-Y834 HydrophobicContact CB-CE1 3.86Å |
| 772 | P | 88.7 | Confident | 88.8 | Confident | 63 Ų | 63 | 50 Ų | 50 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 138.4 | 174.5 | 24 | -33.7 | 0 | 0 | 0 | 112.1 | D774 Y834 | P772-D774 PolarHBondContact O-N 3.41Å; P772-Y834 HydrophobicContact CG-CE2 4.26Å |
| 773 | G | 86.1 | Confident | 88.7 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A831 | G773-A831 PolarHBondContact N-O 3.03Š|
| 774 | D | 87 | Confident | 88.7 | Confident | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | trans | -79 | 131.4 | 179.5 | -152.3 | 49.2 | 0 | 0 | 0 | 111.2 | R702 P771 P772 R830 A831 | R702-D774 IonicContact CZ-OD1 2.91Å; R702-D774 IonicContact NE-OD1 2.86Å; R702-D774 PolarHBondContact NE-OD1 3.35Å; R702-D774 IonicContact NH2-OD1 2.97Å; R702-D774 PolarHBondContact NH2-OD1 3.03Å; P771-D774 HydrophobicContact CG-CB 3.87Å; P771-D774 WeakPolarHBondContact O-CB 3.2Å; P771-D774 PolarHBondContact O-N 3.28Å; P772-D774 PolarHBondContact O-N 3.41Å; D774-R830 WeakPolarHBondContact O-CA 3.17Å; D774-A831 PolarHBondContact O-N 3.47Å | ||
| 775 | T | 90.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.5 | -179.8 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | R702 H778 V829 R830 | R702-T775 PolarHBondContact NH2-OG1 3.32Å; T775-H778 VanDerWaalsContact CB-CE1 3.43Å; T775-H778 WeakPolarHBondContact CB-CE1 3.36Å; T775-H778 PolarHBondContact OG1-CE1 3.02Å; T775-H778 VanDerWaalsContact OG1-CE1 3.23Å; T775-H778 PolarHBondContact OG1-NE2 3.17Å; T775-V829 CarbonylContact C-O 3.23Å; T775-V829 WeakPolarHBondContact CA-O 3.34Å; T775-R830 HydrophobicContact CG2-CB 4.32Å; T775-R830 HydrophobicContact CG2-CG 4.2Å |
| 776 | L | 90.6 | Very high | 88.9 | Confident | 43 Ų | 43 | 46 Ų | 46 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -32.3 | -174.7 | -76.5 | 170.4 | 0 | 0 | 0 | 113.5 | A770 I794 F812 V829 L837 | A770-L776 HydrophobicContact CB-CD1 4.36Å; A770-L776 HydrophobicContact CB-CD2 4.09Å; A770-L776 HydrophobicContact CB-CG 4.34Å; L776-I794 HydrophobicContact CD1-CD1 3.8Å; L776-F812 HydrophobicContact CD1-CZ 4.41Å; L776-V829 HydrophobicContact CB-CB 4.47Å; L776-V829 HydrophobicContact CB-CG1 4.34Å; L776-V829 HydrophobicContact CD1-CG1 4.46Å; L776-V829 PolarHBondContact N-O 3.28Å; L776-L837 HydrophobicContact CD1-CD1 3.83Å; L776-L837 HydrophobicContact CD1-CD2 4.13Å; L776-L837 HydrophobicContact CD2-CD1 3.96Å |
| 777 | V | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 135.9 | -180 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | D781 L783 Y787 D828 V829 | V777-D781 HydrophobicContact CG1-CB 4.04Å; V777-L783 HydrophobicContact CG1-CD2 4.44Å; V777-Y787 HydrophobicContact CG2-CE2 4.36Å; V777-D828 CarbonylContact O-C 3.55Å; V777-D828 WeakPolarHBondContact O-CA 3.25Å; V777-V829 HydrophobicContact CB-CB 4.15Å; V777-V829 HydrophobicContact CB-CG2 4.02Å; V777-V829 HydrophobicContact CG2-CG2 4.49Å; V777-V829 PolarHBondContact O-N 3.05Å |
| 778 | H | 92.1 | Very high | 89.4 | Confident | 82 Ų | 82 | 39 Ų | 39 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | trans | -101.8 | 157 | 170.1 | -68.5 | -71.2 | 0 | 0 | 0 | 110.4 | T775 D781 S825 D828 | T775-H778 VanDerWaalsContact CB-CE1 3.43Å; T775-H778 WeakPolarHBondContact CB-CE1 3.36Å; T775-H778 PolarHBondContact OG1-CE1 3.02Å; T775-H778 VanDerWaalsContact OG1-CE1 3.23Å; T775-H778 PolarHBondContact OG1-NE2 3.17Å; H778-D781 PolarHBondContact N-OD2 3.11Å; H778-D781 VanDerWaalsContact O-CB 3.26Å; H778-D781 WeakPolarHBondContact O-CB 3.47Å; H778-D781 PolarHBondContact O-N 3.4Å; H778-S825 PolarHBondContact O-OG 2.98Å; H778-D828 IonicContact CE1-OD2 2.77Å; H778-D828 IonicContact CG-OD2 3.32Å; H778-D828 IonicContact ND1-OD2 2.75Å; H778-D828 PolarHBondContact ND1-OD2 3.34Å | ||
| 779 | S | 90.5 | Very high | 89.7 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 51% | 0.51 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.8 | 173.4 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | S825 D828 | S779-S825 CarbonylContact C-O 3.57Å; S779-S825 WeakPolarHBondContact CA-O 3.42Å; S779-D828 WeakPolarHBondContact CB-OD1 3.34Å; S779-D828 PolarHBondContact N-OD1 2.83Å; S779-D828 PolarHBondContact OG-OD1 3.39Å |
| 780 | G | 88.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -11.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S825 | G780-S825 PolarHBondContact N-O 3.1Å; G780-S825 PolarHBondContact N-OG 2.91Å; G780-S825 VanDerWaalsContact N-OG 3.1Å |
| 781 | D | 91.4 | Very high | 89.9 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | trans | -61.5 | 154.9 | 171.9 | -77.2 | -20.4 | 0 | 0 | 0 | 112.2 | V777 H778 K824 S825 | V777-D781 HydrophobicContact CG1-CB 4.04Å; H778-D781 PolarHBondContact N-OD2 3.11Å; H778-D781 VanDerWaalsContact O-CB 3.26Å; H778-D781 WeakPolarHBondContact O-CB 3.47Å; H778-D781 PolarHBondContact O-N 3.4Å; D781-K824 CarbonylContact O-C 3.48Å; D781-K824 VanDerWaalsContact O-CA 3.26Å; D781-K824 WeakPolarHBondContact O-CA 3.31Å; D781-S825 PolarHBondContact N-OG 3.48Å; D781-S825 PolarHBondContact O-N 2.75Å; D781-S825 PolarHBondContact O-OG 3.15Å | ||
| 782 | V | 90.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -86.3 | 124.3 | 178.9 | -176 | 0 | 0 | 0 | 0 | 110.7 | T784 P822 G823 | V782-T784 HydrophobicContact CB-CG2 4.42Å; V782-T784 HydrophobicContact CG1-CG2 4.03Å; V782-T784 PolarHBondContact O-N 2.92Å; V782-P822 HydrophobicContact CG1-CB 3.76Å; V782-P822 HydrophobicContact CG1-CG 3.87Å; V782-G823 WeakPolarHBondContact CA-O 3.4Å |
| 783 | L | 89.6 | Confident | 90.5 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -74.5 | 84.4 | -178.7 | -63.3 | 175.5 | 0 | 0 | 0 | 111.3 | V777 E814 G823 L869 R870 | V777-L783 HydrophobicContact CG1-CD2 4.44Å; L783-E814 HydrophobicContact CB-CB 4.35Å; L783-E814 HydrophobicContact CD1-CB 4.13Å; L783-G823 PolarHBondContact N-O 3.02Å; L783-L869 HydrophobicContact CD1-CB 3.78Å; L783-L869 HydrophobicContact CD2-CB 3.88Å; L783-L869 HydrophobicContact CD2-CD1 3.97Å; L783-R870 HydrophobicContact CD1-CB 4.15Å | ||
| 784 | T | 89.1 | Confident | 90.9 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | trans | -94.6 | -7.8 | -176.9 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | V782 R842 | V782-T784 HydrophobicContact CB-CG2 4.42Å; V782-T784 HydrophobicContact CG1-CG2 4.03Å; V782-T784 PolarHBondContact O-N 2.92Å; T784-R842 WeakPolarHBondContact O-CB 3.35Å; T784-R842 PolarHBondContact O-N 3.46Å | ||
| 785 | A | 91 | Very high | 91.3 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 155 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y787 I840 | A785-Y787 HydrophobicContact CB-CE2 3.9Å; A785-Y787 WeakPolarHBondContact O-CD2 3.43Å; A785-Y787 WeakPolarHBondContact O-CE2 2.93Å; A785-I840 VanDerWaalsContact CA-O 3.29Å; A785-I840 WeakPolarHBondContact CA-O 3.4Å; A785-I840 WeakPolarHBondContact CB-O 3.41Å |
| 786 | L | 91.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.8 | 169.4 | -174.7 | 67.3 | 0 | 0 | 0 | 109.3 | F788 I811 T839 I840 L845 L863 L865 | L786-F788 HydrophobicContact CB-CE2 4.33Å; L786-F788 HydrophobicContact CD2-CE2 3.68Å; L786-F788 HydrophobicContact CD2-CZ 3.61Å; L786-F788 HydrophobicContact CG-CD2 4.5Å; L786-F788 HydrophobicContact CG-CE2 3.76Å; L786-F788 HydrophobicContact CG-CZ 4.12Å; L786-I811 HydrophobicContact CD1-CG2 4.02Å; L786-I811 HydrophobicContact CG-CG2 4.23Å; L786-T839 WeakPolarHBondContact O-CA 2.97Å; L786-I840 HydrophobicContact CB-CG2 4.09Å; L786-I840 PolarHBondContact N-O 2.9Å; L786-I840 PolarHBondContact O-N 3.44Å; L786-I840 VanDerWaalsContact O-N 3.13Å; L786-L845 HydrophobicContact CD2-CD2 4.28Å; L786-L863 HydrophobicContact CD2-CD1 4.47Å; L786-L863 HydrophobicContact CD2-CD2 4.11Å; L786-L865 HydrophobicContact CD1-CD2 3.79Å |
| 787 | Y | 92.2 | Very high | 91.7 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131 | -169.9 | -61.2 | -105.7 | 0 | 0 | 0 | 111.1 | V777 A785 I811 F812 L837 T839 | V777-Y787 HydrophobicContact CG2-CE2 4.36Å; A785-Y787 HydrophobicContact CB-CE2 3.9Å; A785-Y787 WeakPolarHBondContact O-CD2 3.43Å; A785-Y787 WeakPolarHBondContact O-CE2 2.93Å; Y787-I811 WeakPolarHBondContact O-CA 3.22Å; Y787-I811 WeakPolarHBondContact O-CG2 3.36Å; Y787-F812 VanDerWaalsContact CB-CE2 3.45Å; Y787-F812 AromaticContact CD1-CE2 3.9Å; Y787-F812 HydrophobicContact CD1-CE2 3.9Å; Y787-F812 AromaticContact CD1-CZ 3.87Å; Y787-F812 HydrophobicContact CD1-CZ 3.87Å; Y787-F812 HydrophobicContact CD2-CD2 4.08Å; Y787-F812 AromaticContact CD2-CE2 3.78Å; Y787-F812 HydrophobicContact CD2-CE2 3.78Å; Y787-F812 HydrophobicContact CD2-CZ 4.44Å; Y787-F812 HydrophobicContact CE2-CE2 4.5Å; Y787-F812 HydrophobicContact CG-CD2 4.05Å; Y787-F812 HydrophobicContact CG-CE1 4.38Å; Y787-F812 AromaticContact CG-CE2 3.45Å; Y787-F812 HydrophobicContact CG-CE2 3.45Å; Y787-F812 VanDerWaalsContact CG-CE2 3.45Å; Y787-F812 AromaticContact CG-CZ 3.66Å; Y787-F812 HydrophobicContact CG-CZ 3.66Å; Y787-F812 PolarHBondContact N-O 3.3Å; Y787-F812 PolarHBondContact O-N 2.88Å; Y787-L837 HydrophobicContact CD1-CD1 3.74Å; Y787-L837 HydrophobicContact CE1-CD1 4.24Å; Y787-T839 HydrophobicContact CD1-CG2 3.49Å; Y787-T839 VanDerWaalsContact CD1-CG2 3.49Å; Y787-T839 HydrophobicContact CE1-CG2 3.71Å; Y787-T839 HydrophobicContact CG-CG2 4.26Å |
| 788 | F | 92 | Very high | 91.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.2 | 179.4 | -62 | -105 | 0 | 0 | 0 | 109.5 | L743 F750 F765 L786 S790 I811 L837 S838 I840 | L743-F788 HydrophobicContact CD1-CB 3.48Å; L743-F788 VanDerWaalsContact CD1-CB 3.48Å; L743-F788 HydrophobicContact CD1-CD1 4.09Å; L743-F788 HydrophobicContact CD1-CD2 4.16Å; L743-F788 HydrophobicContact CD1-CG 3.68Å; L743-F788 HydrophobicContact CD2-CD1 4.47Å; L743-F788 HydrophobicContact CG-CB 4.26Å; L743-F788 HydrophobicContact CG-CD1 4.21Å; L743-F788 HydrophobicContact CG-CG 4.3Å; F750-F788 AromaticContact CE2-CE1 3.84Å; F750-F788 HydrophobicContact CE2-CE1 3.84Å; F750-F788 HydrophobicContact CE2-CZ 4.21Å; F750-F788 HydrophobicContact CZ-CE1 4.04Å; F750-F788 AromaticContact CZ-CZ 3.93Å; F750-F788 HydrophobicContact CZ-CZ 3.93Å; F765-F788 AromaticContact CE1-CD2 3.76Å; F765-F788 HydrophobicContact CE1-CD2 3.76Å; F765-F788 AromaticContact CE1-CE2 3.71Å; F765-F788 HydrophobicContact CE1-CE2 3.71Å; F765-F788 HydrophobicContact CE1-CZ 4.47Å; F765-F788 HydrophobicContact CZ-CD2 4.31Å; F765-F788 AromaticContact CZ-CE2 3.94Å; F765-F788 HydrophobicContact CZ-CE2 3.94Å; F765-F788 HydrophobicContact CZ-CZ 4.27Å; L786-F788 HydrophobicContact CB-CE2 4.33Å; L786-F788 HydrophobicContact CD2-CE2 3.68Å; L786-F788 HydrophobicContact CD2-CZ 3.61Å; L786-F788 HydrophobicContact CG-CD2 4.5Å; L786-F788 HydrophobicContact CG-CE2 3.76Å; L786-F788 HydrophobicContact CG-CZ 4.12Å; F788-S790 PolarHBondContact O-N 3.39Å; F788-I811 HydrophobicContact CD1-CD1 3.9Å; F788-I811 HydrophobicContact CD1-CG1 3.82Å; F788-I811 HydrophobicContact CD1-CG2 4.01Å; F788-I811 HydrophobicContact CE1-CD1 3.76Å; F788-I811 HydrophobicContact CE1-CG1 4.14Å; F788-I811 HydrophobicContact CE1-CG2 3.96Å; F788-I811 HydrophobicContact CG-CG2 4.39Å; F788-I811 HydrophobicContact CZ-CG2 4.29Å; F788-L837 WeakPolarHBondContact O-CA 3.48Å; F788-S838 PolarHBondContact N-O 3.24Å; F788-S838 PolarHBondContact O-N 2.83Å; F788-I840 HydrophobicContact CE2-CG2 4.12Å |
| 789 | L | 92.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 94.8 | -173.1 | -175.3 | 50.5 | 0 | 0 | 0 | 111.4 | R791 I794 L806 G807 N809 D810 C835 | L789-R791 WeakPolarHBondContact CD1-O 3.33Å; L789-I794 HydrophobicContact CD1-CD1 3.84Å; L789-I794 HydrophobicContact CD1-CG1 4.25Å; L789-I794 HydrophobicContact CD2-CB 4.2Å; L789-I794 HydrophobicContact CD2-CD1 3.98Å; L789-I794 HydrophobicContact CD2-CG1 3.91Å; L789-I794 HydrophobicContact CG-CD1 4.48Å; L789-L806 HydrophobicContact CD2-CB 4.13Å; L789-G807 VanDerWaalsContact CD2-O 3.24Å; L789-G807 WeakPolarHBondContact CD2-O 3.43Å; L789-G807 WeakPolarHBondContact CG-O 3.33Å; L789-N809 WeakPolarHBondContact O-CA 3.36Å; L789-N809 PolarHBondContact O-N 3.49Å; L789-D810 PolarHBondContact N-O 3.49Å; L789-C835 HydrophobicContact CD1-CB 4.03Å |
| 790 | S | 88.4 | Confident | 91.2 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -35.7 | -178.2 | -74.5 | 0 | 0 | 0 | 0 | 113.3 | F788 D836 | F788-S790 PolarHBondContact O-N 3.39Å; S790-D836 WeakPolarHBondContact CA-O 3.38Å; S790-D836 WeakPolarHBondContact CB-O 3.34Å; S790-D836 PolarHBondContact N-O 2.75Å |
| 791 | R | 88.4 | Confident | 91.4 | Very high | 163 Ų | 163 | 50.1 Ų | 50.1 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.5 | 175.3 | -63.3 | -172.8 | 173.5 | 176.6 | -2.5 | 111.6 | L789 C835 D836 | L789-R791 WeakPolarHBondContact CD1-O 3.33Å; R791-C835 CarbonylContact O-C 3.57Å; R791-C835 VanDerWaalsContact O-CA 3.27Å; R791-C835 WeakPolarHBondContact O-CA 3.42Å; R791-D836 HydrophobicContact CB-CB 4.04Å; R791-D836 WeakPolarHBondContact CD-OD2 3.37Å; R791-D836 PolarHBondContact N-O 3.07Å; R791-D836 VanDerWaalsContact N-O 3.1Å; R791-D836 PolarHBondContact O-N 3.15Å |
| 792 | G | 91.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 101 | -161.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C833 | G792-C833 WeakPolarHBondContact CA-SG 3.34Š|
| 793 | S | 94.8 | Very high | 91.6 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -147.8 | 134.5 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | L806 L832 C833 C835 | S793-L806 CarbonylContact C-O 3.5Å; S793-L806 VanDerWaalsContact CA-O 3.24Å; S793-L806 WeakPolarHBondContact CA-O 3.46Å; S793-L832 WeakPolarHBondContact O-CB 3.13Å; S793-L832 PolarHBondContact O-N 3.49Å; S793-C833 PolarHBondContact N-SG 3Å; S793-C835 PolarHBondContact N-SG 2.91Å; S793-C835 VanDerWaalsContact N-SG 3.41Å; S793-C835 PolarHBondContact O-SG 3.01Å | ||
| 794 | I | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.4 | -176.3 | -66.7 | 178.6 | 0 | 0 | 0 | 108.1 | L776 L789 I805 L806 F812 V829 R830 C835 | L776-I794 HydrophobicContact CD1-CD1 3.8Å; L789-I794 HydrophobicContact CD1-CD1 3.84Å; L789-I794 HydrophobicContact CD1-CG1 4.25Å; L789-I794 HydrophobicContact CD2-CB 4.2Å; L789-I794 HydrophobicContact CD2-CD1 3.98Å; L789-I794 HydrophobicContact CD2-CG1 3.91Å; L789-I794 HydrophobicContact CG-CD1 4.48Å; I794-I805 CarbonylContact O-C 3.51Å; I794-I805 WeakPolarHBondContact O-CA 3.17Å; I794-L806 PolarHBondContact N-O 3.42Å; I794-L806 PolarHBondContact O-N 3.05Å; I794-F812 HydrophobicContact CD1-CE1 3.9Å; I794-F812 HydrophobicContact CD1-CZ 3.98Å; I794-V829 HydrophobicContact CG2-CG1 3.39Å; I794-R830 CarbonylContact C-O 3.56Å; I794-R830 WeakPolarHBondContact CA-O 3.02Å; I794-R830 WeakPolarHBondContact CG2-O 3.03Å; I794-C835 HydrophobicContact CD1-CB 4.47Å; I794-C835 HydrophobicContact CG1-CB 4.37Å |
| 795 | E | 95.3 | Very high | 92 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.1 | 170.1 | 58.2 | -180 | 166.1 | 0 | 0 | 110.5 | L797 V802 A804 R830 L832 | E795-L797 HydrophobicContact CG-CD1 3.84Å; E795-V802 HydrophobicContact CB-CG1 4.22Å; E795-V802 WeakPolarHBondContact OE2-CG2 3.32Å; E795-A804 WeakPolarHBondContact CA-O 3.48Å; E795-R830 HydrophobicContact CG-CB 4.04Å; E795-R830 WeakPolarHBondContact CG-O 3.5Å; E795-R830 PolarHBondContact N-O 3.41Å; E795-R830 PolarHBondContact O-N 2.75Å; E795-R830 IonicContact OE1-CZ 2.67Å; E795-R830 IonicContact OE1-NE 3.28Å; E795-R830 PolarHBondContact OE1-NE 3.28Å; E795-R830 IonicContact OE1-NH2 2.78Å; E795-R830 PolarHBondContact OE1-NH2 2.96Å; E795-R830 IonicContact OE2-NH2 2.82Å; E795-L832 HydrophobicContact CB-CD1 4.16Å; E795-L832 HydrophobicContact CB-CD2 4.34Å; E795-L832 HydrophobicContact CB-CG 4.12Å; E795-L832 HydrophobicContact CG-CD2 3.88Å; E795-L832 HydrophobicContact CG-CG 3.92Å; E795-L832 WeakPolarHBondContact OE1-CD2 3.48Å |
| 796 | I | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.4 | 174.2 | -61 | -177.5 | 0 | 0 | 0 | 107.4 | V803 A804 L806 A827 D828 V829 F867 L869 | I796-V803 PolarHBondContact O-N 2.87Å; I796-A804 HydrophobicContact CB-CB 4.34Å; I796-A804 HydrophobicContact CD1-CB 4.47Å; I796-A804 PolarHBondContact N-O 3.05Å; I796-L806 HydrophobicContact CD1-CD1 3.88Å; I796-L806 HydrophobicContact CD1-CG 4.21Å; I796-A827 HydrophobicContact CG2-CB 3.46Å; I796-A827 VanDerWaalsContact CG2-CB 3.46Å; I796-D828 CarbonylContact C-O 3.52Å; I796-D828 WeakPolarHBondContact CA-O 3.34Å; I796-V829 HydrophobicContact CG1-CG2 4.41Å; I796-F867 HydrophobicContact CD1-CB 3.71Å; I796-F867 HydrophobicContact CD1-CD1 3.59Å; I796-F867 HydrophobicContact CD1-CD2 4.16Å; I796-F867 HydrophobicContact CD1-CE1 4.23Å; I796-F867 HydrophobicContact CD1-CG 3.55Å; I796-F867 HydrophobicContact CG2-CD1 4.41Å; I796-F867 HydrophobicContact CG2-CE1 4.01Å; I796-F867 HydrophobicContact CG2-CZ 4.16Å; I796-L869 HydrophobicContact CD1-CD2 4.27Å; I796-L869 HydrophobicContact CG2-CD2 4.26Å |
| 797 | L | 93.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.3 | -177.4 | -59.4 | 110.6 | 0 | 0 | 0 | 110.7 | E795 I801 V802 A827 D828 R830 | E795-L797 HydrophobicContact CG-CD1 3.84Å; L797-I801 CarbonylContact C-O 3.6Å; L797-I801 VanDerWaalsContact CA-O 3.32Å; L797-I801 WeakPolarHBondContact CA-O 3.4Å; L797-V802 HydrophobicContact CD2-CG2 3.89Å; L797-V802 HydrophobicContact CG-CG2 4.23Å; L797-A827 CarbonylContact O-C 3.44Å; L797-A827 WeakPolarHBondContact O-CA 3.48Å; L797-A827 WeakPolarHBondContact O-CB 3.47Å; L797-D828 HydrophobicContact CB-CB 4.5Å; L797-D828 PolarHBondContact N-O 3.35Å; L797-D828 PolarHBondContact O-N 3.18Å; L797-R830 HydrophobicContact CD1-CB 3.78Å |
| 798 | K | 91.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.4 | 167.6 | 173.8 | 165.1 | -177.7 | 154.7 | 0 | 108.6 | D800 I801 V803 N826 A827 | K798-D800 PolarHBondContact O-N 2.78Å; K798-I801 PolarHBondContact N-O 3.27Å; K798-I801 WeakPolarHBondContact O-CA 3.4Å; K798-I801 WeakPolarHBondContact O-CB 3.47Å; K798-I801 PolarHBondContact O-N 2.71Å; K798-V803 HydrophobicContact CB-CG2 3.6Å; K798-N826 PolarHBondContact NZ-OD1 2.99Å; K798-A827 HydrophobicContact CB-CB 4.25Å |
| 799 | D | 87.3 | Confident | 91.9 | Very high | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43.3 | -179.5 | -52.2 | -49.9 | 0 | 0 | 0 | 111.9 | I801 | D799-I801 PolarHBondContact O-N 2.98Å; D799-I801 VanDerWaalsContact O-N 3.12Å |
| 800 | D | 86.3 | Confident | 91.9 | Very high | 148 Ų | 148 | 62.9 Ų | 62.9 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 3.3 | -170.1 | -79.3 | -45.4 | 0 | 0 | 0 | 116.8 | K798 | K798-D800 PolarHBondContact O-N 2.78Š|
| 801 | I | 92.3 | Very high | 92 | Very high | 120 Ų | 120 | 62.1 Ų | 62.1 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.6 | 176.3 | -57.6 | 168.6 | 0 | 0 | 0 | 110.1 | L797 K798 D799 V803 | L797-I801 CarbonylContact C-O 3.6Å; L797-I801 VanDerWaalsContact CA-O 3.32Å; L797-I801 WeakPolarHBondContact CA-O 3.4Å; K798-I801 PolarHBondContact N-O 3.27Å; K798-I801 WeakPolarHBondContact O-CA 3.4Å; K798-I801 WeakPolarHBondContact O-CB 3.47Å; K798-I801 PolarHBondContact O-N 2.71Å; D799-I801 PolarHBondContact O-N 2.98Å; D799-I801 VanDerWaalsContact O-N 3.12Å; I801-V803 PolarHBondContact O-N 2.9Å |
| 802 | V | 93 | Very high | 92.2 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 39% | 0.394 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 112.6 | 173.8 | -179 | 0 | 0 | 0 | 0 | 109.9 | E795 L797 I805 | E795-V802 HydrophobicContact CB-CG1 4.22Å; E795-V802 WeakPolarHBondContact OE2-CG2 3.32Å; L797-V802 HydrophobicContact CD2-CG2 3.89Å; L797-V802 HydrophobicContact CG-CG2 4.23Å; V802-I805 HydrophobicContact CG1-CG1 3.98Å |
| 803 | V | 92.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -38.8 | -179.4 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | I796 K798 I801 F867 | I796-V803 PolarHBondContact O-N 2.87Å; K798-V803 HydrophobicContact CB-CG2 3.6Å; I801-V803 PolarHBondContact O-N 2.9Å; V803-F867 HydrophobicContact CG1-CE2 3.87Å; V803-F867 HydrophobicContact CG1-CZ 4.12Å |
| 804 | A | 92.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | E795 I796 F867 | E795-A804 WeakPolarHBondContact CA-O 3.48Å; I796-A804 HydrophobicContact CB-CB 4.34Å; I796-A804 HydrophobicContact CD1-CB 4.47Å; I796-A804 PolarHBondContact N-O 3.05Å; A804-F867 HydrophobicContact CB-CD2 3.83Å; A804-F867 HydrophobicContact CB-CE2 4.1Å |
| 805 | I | 94.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.7 | 167.4 | -57.7 | 175.9 | 0 | 0 | 0 | 106.9 | I794 V802 L832 | I794-I805 CarbonylContact O-C 3.51Å; I794-I805 WeakPolarHBondContact O-CA 3.17Å; V802-I805 HydrophobicContact CG1-CG1 3.98Å; I805-L832 HydrophobicContact CG2-CD1 4.1Å |
| 806 | L | 94.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.3 | 177.1 | -56.9 | -175.2 | 0 | 0 | 0 | 110 | L789 S793 I794 I796 D810 F812 T866 F867 | L789-L806 HydrophobicContact CD2-CB 4.13Å; S793-L806 CarbonylContact C-O 3.5Å; S793-L806 VanDerWaalsContact CA-O 3.24Å; S793-L806 WeakPolarHBondContact CA-O 3.46Å; I794-L806 PolarHBondContact N-O 3.42Å; I794-L806 PolarHBondContact O-N 3.05Å; I796-L806 HydrophobicContact CD1-CD1 3.88Å; I796-L806 HydrophobicContact CD1-CG 4.21Å; L806-D810 HydrophobicContact CB-CB 4.02Å; L806-D810 HydrophobicContact CD2-CB 4.23Å; L806-F812 HydrophobicContact CD1-CB 3.63Å; L806-F812 HydrophobicContact CD1-CD1 3.42Å; L806-F812 VanDerWaalsContact CD1-CD1 3.42Å; L806-F812 HydrophobicContact CD1-CE1 4.25Å; L806-F812 HydrophobicContact CD1-CG 3.71Å; L806-T866 HydrophobicContact CD2-CG2 3.55Å; L806-F867 HydrophobicContact CD2-CB 4.46Å |
| 807 | G | 92.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | trans | -125.1 | -161 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L789 N809 D810 | L789-G807 VanDerWaalsContact CD2-O 3.24Å; L789-G807 WeakPolarHBondContact CD2-O 3.43Å; L789-G807 WeakPolarHBondContact CG-O 3.33Å; G807-N809 PolarHBondContact O-N 3.42Å; G807-D810 PolarHBondContact N-OD2 2.95Å; G807-D810 WeakPolarHBondContact O-CB 3.39Å; G807-D810 PolarHBondContact O-N 2.94Å | ||
| 808 | K | 89.8 | Confident | 88.7 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 132.9 | -177.2 | 176.1 | 176.1 | -179.5 | -145.4 | 0 | 111.8 | D810 | K808-D810 VanDerWaalsContact C-N 3.3Š|
| 809 | N | 87.9 | Confident | 87.9 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 6.7 | -178.3 | -58 | -5.1 | 0 | 0 | 0 | 115.3 | L789 G807 | L789-N809 WeakPolarHBondContact O-CA 3.36Å; L789-N809 PolarHBondContact O-N 3.49Å; G807-N809 PolarHBondContact O-N 3.42Å |
| 810 | D | 91.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | trans | -73.6 | 152.1 | 173.3 | -77.3 | -47.9 | 0 | 0 | 0 | 112.8 | L789 L806 G807 K808 T866 | L789-D810 PolarHBondContact N-O 3.49Å; L806-D810 HydrophobicContact CB-CB 4.02Å; L806-D810 HydrophobicContact CD2-CB 4.23Å; G807-D810 PolarHBondContact N-OD2 2.95Å; G807-D810 WeakPolarHBondContact O-CB 3.39Å; G807-D810 PolarHBondContact O-N 2.94Å; K808-D810 VanDerWaalsContact C-N 3.3Å; D810-T866 HydrophobicContact CB-CG2 4.36Å; D810-T866 WeakPolarHBondContact CB-OG1 3.46Å; D810-T866 WeakPolarHBondContact OD1-CB 3.37Å; D810-T866 WeakPolarHBondContact OD1-CG2 3.29Å; D810-T866 PolarHBondContact OD1-OG1 3.46Å | ||
| 811 | I | 92 | Very high | 86.8 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.9 | -176.9 | -45.8 | 175.8 | 0 | 0 | 0 | 109.3 | L786 Y787 F788 L863 L865 T866 | L786-I811 HydrophobicContact CD1-CG2 4.02Å; L786-I811 HydrophobicContact CG-CG2 4.23Å; Y787-I811 WeakPolarHBondContact O-CA 3.22Å; Y787-I811 WeakPolarHBondContact O-CG2 3.36Å; F788-I811 HydrophobicContact CD1-CD1 3.9Å; F788-I811 HydrophobicContact CD1-CG1 3.82Å; F788-I811 HydrophobicContact CD1-CG2 4.01Å; F788-I811 HydrophobicContact CE1-CD1 3.76Å; F788-I811 HydrophobicContact CE1-CG1 4.14Å; F788-I811 HydrophobicContact CE1-CG2 3.96Å; F788-I811 HydrophobicContact CG-CG2 4.39Å; F788-I811 HydrophobicContact CZ-CG2 4.29Å; I811-L863 HydrophobicContact CD1-CD1 4.02Å; I811-L865 HydrophobicContact CB-CD2 4.21Å; I811-L865 HydrophobicContact CG2-CD2 3.64Å; I811-T866 PolarHBondContact N-OG1 2.89Å; I811-T866 PolarHBondContact O-N 2.66Å |
| 812 | F | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.8 | 179.9 | 67.6 | -88.7 | 0 | 0 | 0 | 113 | L776 Y787 I794 L806 V829 L869 | L776-F812 HydrophobicContact CD1-CZ 4.41Å; Y787-F812 VanDerWaalsContact CB-CE2 3.45Å; Y787-F812 AromaticContact CD1-CE2 3.9Å; Y787-F812 HydrophobicContact CD1-CE2 3.9Å; Y787-F812 AromaticContact CD1-CZ 3.87Å; Y787-F812 HydrophobicContact CD1-CZ 3.87Å; Y787-F812 HydrophobicContact CD2-CD2 4.08Å; Y787-F812 AromaticContact CD2-CE2 3.78Å; Y787-F812 HydrophobicContact CD2-CE2 3.78Å; Y787-F812 HydrophobicContact CD2-CZ 4.44Å; Y787-F812 HydrophobicContact CE2-CE2 4.5Å; Y787-F812 HydrophobicContact CG-CD2 4.05Å; Y787-F812 HydrophobicContact CG-CE1 4.38Å; Y787-F812 AromaticContact CG-CE2 3.45Å; Y787-F812 HydrophobicContact CG-CE2 3.45Å; Y787-F812 VanDerWaalsContact CG-CE2 3.45Å; Y787-F812 AromaticContact CG-CZ 3.66Å; Y787-F812 HydrophobicContact CG-CZ 3.66Å; Y787-F812 PolarHBondContact N-O 3.3Å; Y787-F812 PolarHBondContact O-N 2.88Å; I794-F812 HydrophobicContact CD1-CE1 3.9Å; I794-F812 HydrophobicContact CD1-CZ 3.98Å; L806-F812 HydrophobicContact CD1-CB 3.63Å; L806-F812 HydrophobicContact CD1-CD1 3.42Å; L806-F812 VanDerWaalsContact CD1-CD1 3.42Å; L806-F812 HydrophobicContact CD1-CE1 4.25Å; L806-F812 HydrophobicContact CD1-CG 3.71Å; F812-V829 HydrophobicContact CE2-CG1 3.85Å; F812-V829 HydrophobicContact CZ-CG1 4.12Å; F812-L869 HydrophobicContact CD2-CD1 3.92Å |
| 813 | G | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.7 | -134.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N868 L869 | G813-N868 PolarHBondContact O-OD1 3.42Å; G813-L869 PolarHBondContact O-N 3.36Å |
| 814 | E | 87.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | trans | -123.3 | 145.3 | 178.4 | -176.3 | -177.2 | 123.4 | 0 | 0 | 111.2 | L783 I816 Y819 G823 R842 R870 | L783-E814 HydrophobicContact CB-CB 4.35Å; L783-E814 HydrophobicContact CD1-CB 4.13Å; E814-I816 PolarHBondContact O-N 2.81Å; E814-Y819 HydrophobicContact CG-CD2 4.23Å; E814-G823 VanDerWaalsContact OE2-CA 3.23Å; E814-G823 WeakPolarHBondContact OE2-CA 3.4Å; E814-G823 PolarHBondContact OE2-N 3.39Å; E814-R842 IonicContact OE1-NH1 3.57Å; E814-R842 PolarHBondContact OE1-NH1 2.86Å; E814-R870 HydrophobicContact CG-CB 4.44Å; E814-R870 IonicContact OE1-NH1 3.75Å; E814-R870 PolarHBondContact OE1-NH1 3.28Å; E814-R870 IonicContact OE2-CZ 2.74Å; E814-R870 IonicContact OE2-NH1 3.65Å; E814-R870 PolarHBondContact OE2-NH1 3.39Å | ||
| 815 | M | 82.9 | Confident | 85.7 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | trans | -74.9 | 91.9 | 166.8 | -74.1 | -171.3 | 171 | 0 | 0 | 110.6 | H817 L818 L865 | M815-H817 PolarHBondContact O-N 2.96Å; M815-H817 VanDerWaalsContact O-N 3.08Å; M815-L818 HydrophobicContact CB-CD1 3.87Å; M815-L818 HydrophobicContact CB-CG 4.11Å; M815-L818 PolarHBondContact O-N 2.87Å; M815-L818 HydrophobicContact SD-CD1 3.95Å; M815-L865 HydrophobicContact CB-CD1 4.49Å; M815-L865 HydrophobicContact CE-CB 4.28Å; M815-L865 HydrophobicContact CE-CG 4.04Å; M815-L865 HydrophobicContact CG-CD1 3.6Å; M815-L865 HydrophobicContact CG-CG 3.94Å | ||
| 816 | I | 81.2 | Confident | 85.4 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -53.2 | -32.1 | -173 | -67.5 | 163.7 | 0 | 0 | 0 | 113.6 | E814 L818 Y819 R842 L845 L846 | E814-I816 PolarHBondContact O-N 2.81Å; I816-L818 PolarHBondContact O-N 3.37Å; I816-Y819 VanDerWaalsContact O-O 3.07Å; I816-R842 HydrophobicContact CD1-CB 4.43Å; I816-R842 HydrophobicContact CD1-CG 4.21Å; I816-R842 HydrophobicContact CG1-CG 4.21Å; I816-R842 HydrophobicContact CG2-CG 4.25Å; I816-L845 HydrophobicContact CD1-CD2 3.83Å; I816-L846 HydrophobicContact CG2-CD1 4.08Å; I816-L846 HydrophobicContact CG2-CD2 3.74Å; I816-L846 HydrophobicContact CG2-CG 3.93Å |
| 817 | H | 74.8 | Confident | 85.3 | Confident | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -73.7 | -21.6 | -179.2 | 73 | -97.2 | 0 | 0 | 0 | 114.7 | M815 F860 | M815-H817 PolarHBondContact O-N 2.96Å; M815-H817 VanDerWaalsContact O-N 3.08Å; H817-F860 HydrophobicContact CB-CB 4.44Å; H817-F860 HydrophobicContact CB-CD1 3.77Å; H817-F860 HydrophobicContact CB-CD2 3.8Å; H817-F860 HydrophobicContact CB-CE1 3.84Å; H817-F860 HydrophobicContact CB-CE2 3.86Å; H817-F860 HydrophobicContact CB-CG 3.75Å; H817-F860 HydrophobicContact CB-CZ 3.87Å; H817-F860 AromaticContact CG-CD1 3.93Å; H817-F860 AromaticContact CG-CG 3.89Å; H817-F860 AromaticContact ND1-CD1 3.44Å; H817-F860 WeakPolarHBondContact ND1-CD1 3.41Å; H817-F860 AromaticContact ND1-CG 3.66Å |
| 818 | L | 74.8 | Confident | 85.3 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -81 | -21.7 | -176.7 | -68.5 | 179.3 | 0 | 0 | 0 | 113.1 | M815 I816 | M815-L818 HydrophobicContact CB-CD1 3.87Å; M815-L818 HydrophobicContact CB-CG 4.11Å; M815-L818 PolarHBondContact O-N 2.87Å; M815-L818 HydrophobicContact SD-CD1 3.95Å; I816-L818 PolarHBondContact O-N 3.37Å |
| 819 | Y | 75.6 | Confident | 85.5 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | trans | -139.5 | 126 | -172 | -50.4 | -82.4 | 0 | 0 | 0 | 110.2 | E814 I816 R842 R870 | E814-Y819 HydrophobicContact CG-CD2 4.23Å; I816-Y819 VanDerWaalsContact O-O 3.07Å; Y819-R842 PolarHBondContact O-NH2 2.72Å; Y819-R870 VanDerWaalsContact CG-CZ 3.4Å | ||
| 820 | T | 71.5 | Confident | 85.8 | Confident | 135 Ų | 135 | 45 Ų | 45 | 83% | 0.828 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -72.7 | -32.5 | 178.1 | 49 | 0 | 0 | 0 | 0 | 113 | R842 | T820-R842 PolarHBondContact O-NH2 3.07Å; T820-R842 VanDerWaalsContact O-NH2 3.09Å |
| 821 | T | 79.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 53% | 0.534 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -96.1 | 143.7 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | R870 | T821-R870 PolarHBondContact O-NH1 2.94Š|
| 822 | P | 82.4 | Confident | 85.9 | Confident | 62 Ų | 62 | 46 Ų | 46 | 40% | 0.403 | 24% | 0.238 | S | C | . | . | trans | -67.1 | 141.1 | 177.1 | 30.3 | -35.9 | 0 | 0 | 0 | 111.1 | V782 | V782-P822 HydrophobicContact CG1-CB 3.76Å; V782-P822 HydrophobicContact CG1-CG 3.87Å | ||
| 823 | G | 84.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | trans | -86.7 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V782 L783 E814 R870 | V782-G823 WeakPolarHBondContact CA-O 3.4Å; L783-G823 PolarHBondContact N-O 3.02Å; E814-G823 VanDerWaalsContact OE2-CA 3.23Å; E814-G823 WeakPolarHBondContact OE2-CA 3.4Å; E814-G823 PolarHBondContact OE2-N 3.39Å; G823-R870 VanDerWaalsContact CA-NH1 3.28Å | ||
| 824 | K | 89.6 | Confident | 85.8 | Confident | 126 Ų | 126 | 54.2 Ų | 54.2 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -98.9 | 149.4 | 167.2 | -68.5 | -169.2 | 174.6 | -165.3 | 0 | 111.1 | D781 R870 D871 | D781-K824 CarbonylContact O-C 3.48Å; D781-K824 VanDerWaalsContact O-CA 3.26Å; D781-K824 WeakPolarHBondContact O-CA 3.31Å; K824-R870 CarbonylContact O-C 3.58Å; K824-R870 WeakPolarHBondContact O-CA 3.49Å; K824-D871 PolarHBondContact O-N 3.12Å |
| 825 | S | 90.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 128 | 173.8 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | H778 S779 G780 D781 A827 L869 | H778-S825 PolarHBondContact O-OG 2.98Å; S779-S825 CarbonylContact C-O 3.57Å; S779-S825 WeakPolarHBondContact CA-O 3.42Å; G780-S825 PolarHBondContact N-O 3.1Å; G780-S825 PolarHBondContact N-OG 2.91Å; G780-S825 VanDerWaalsContact N-OG 3.1Å; D781-S825 PolarHBondContact N-OG 3.48Å; D781-S825 PolarHBondContact O-N 2.75Å; D781-S825 PolarHBondContact O-OG 3.15Å; S825-A827 VanDerWaalsContact C-N 3.31Å; S825-L869 CarbonylContact C-O 3.55Å; S825-L869 WeakPolarHBondContact CA-O 3.49Å |
| 826 | N | 88.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -80.8 | -11.3 | 178.2 | -159.9 | -30.7 | 0 | 0 | 0 | 112.7 | K798 L869 D871 | K798-N826 PolarHBondContact NZ-OD1 2.99Å; N826-L869 VanDerWaalsContact CB-O 3.27Å; N826-L869 WeakPolarHBondContact CB-O 3.47Å; N826-L869 PolarHBondContact N-O 3.25Å; N826-D871 WeakPolarHBondContact CA-OD1 3.35Å; N826-D871 VanDerWaalsContact CB-OD1 3.26Å; N826-D871 WeakPolarHBondContact CB-OD1 3.38Å; N826-D871 PolarHBondContact ND2-OD1 3.49Å; N826-D871 PolarHBondContact OD1-OD1 3.41Å |
| 827 | A | 91.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -155.6 | 152.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I796 L797 K798 S825 L869 | I796-A827 HydrophobicContact CG2-CB 3.46Å; I796-A827 VanDerWaalsContact CG2-CB 3.46Å; L797-A827 CarbonylContact O-C 3.44Å; L797-A827 WeakPolarHBondContact O-CA 3.48Å; L797-A827 WeakPolarHBondContact O-CB 3.47Å; K798-A827 HydrophobicContact CB-CB 4.25Å; S825-A827 VanDerWaalsContact C-N 3.31Å; A827-L869 HydrophobicContact CB-CD2 4.43Å |
| 828 | D | 93.4 | Very high | 87.4 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 142.5 | 168.6 | -84 | 49.8 | 0 | 0 | 0 | 110.3 | V777 H778 S779 I796 L797 | V777-D828 CarbonylContact O-C 3.55Å; V777-D828 WeakPolarHBondContact O-CA 3.25Å; H778-D828 IonicContact CE1-OD2 2.77Å; H778-D828 IonicContact CG-OD2 3.32Å; H778-D828 IonicContact ND1-OD2 2.75Å; H778-D828 PolarHBondContact ND1-OD2 3.34Å; S779-D828 WeakPolarHBondContact CB-OD1 3.34Å; S779-D828 PolarHBondContact N-OD1 2.83Å; S779-D828 PolarHBondContact OG-OD1 3.39Å; I796-D828 CarbonylContact C-O 3.52Å; I796-D828 WeakPolarHBondContact CA-O 3.34Å; L797-D828 HydrophobicContact CB-CB 4.5Å; L797-D828 PolarHBondContact N-O 3.35Å; L797-D828 PolarHBondContact O-N 3.18Å |
| 829 | V | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 115.5 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | T775 L776 V777 I794 I796 F812 L869 | T775-V829 CarbonylContact C-O 3.23Å; T775-V829 WeakPolarHBondContact CA-O 3.34Å; L776-V829 HydrophobicContact CB-CB 4.47Å; L776-V829 HydrophobicContact CB-CG1 4.34Å; L776-V829 HydrophobicContact CD1-CG1 4.46Å; L776-V829 PolarHBondContact N-O 3.28Å; V777-V829 HydrophobicContact CB-CB 4.15Å; V777-V829 HydrophobicContact CB-CG2 4.02Å; V777-V829 HydrophobicContact CG2-CG2 4.49Å; V777-V829 PolarHBondContact O-N 3.05Å; I794-V829 HydrophobicContact CG2-CG1 3.39Å; I796-V829 HydrophobicContact CG1-CG2 4.41Å; F812-V829 HydrophobicContact CE2-CG1 3.85Å; F812-V829 HydrophobicContact CZ-CG1 4.12Å; V829-L869 HydrophobicContact CG2-CD1 3.89Å; V829-L869 HydrophobicContact CG2-CD2 3.76Å |
| 830 | R | 93.4 | Very high | 89 | Confident | 76 Ų | 76 | 42.4 Ų | 42.4 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.6 | -172.1 | -170.7 | 168.3 | 67.7 | -151.4 | 1.2 | 112.3 | D774 T775 I794 E795 L797 | D774-R830 WeakPolarHBondContact O-CA 3.17Å; T775-R830 HydrophobicContact CG2-CB 4.32Å; T775-R830 HydrophobicContact CG2-CG 4.2Å; I794-R830 CarbonylContact C-O 3.56Å; I794-R830 WeakPolarHBondContact CA-O 3.02Å; I794-R830 WeakPolarHBondContact CG2-O 3.03Å; E795-R830 HydrophobicContact CG-CB 4.04Å; E795-R830 WeakPolarHBondContact CG-O 3.5Å; E795-R830 PolarHBondContact N-O 3.41Å; E795-R830 PolarHBondContact O-N 2.75Å; E795-R830 IonicContact OE1-CZ 2.67Å; E795-R830 IonicContact OE1-NE 3.28Å; E795-R830 PolarHBondContact OE1-NE 3.28Å; E795-R830 IonicContact OE1-NH2 2.78Å; E795-R830 PolarHBondContact OE1-NH2 2.96Å; E795-R830 IonicContact OE2-NH2 2.82Å; L797-R830 HydrophobicContact CD1-CB 3.78Å |
| 831 | A | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A770 P771 G773 D774 | A770-A831 HydrophobicContact CB-CB 3.84Å; P771-A831 WeakPolarHBondContact O-CB 3.41Å; G773-A831 PolarHBondContact N-O 3.03Å; D774-A831 PolarHBondContact O-N 3.47Å |
| 832 | L | 92.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 36 Ų | 36 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -82.5 | -30.2 | 176.6 | -72.3 | 169.7 | 0 | 0 | 0 | 112.5 | S793 E795 I805 | S793-L832 WeakPolarHBondContact O-CB 3.13Å; S793-L832 PolarHBondContact O-N 3.49Å; E795-L832 HydrophobicContact CB-CD1 4.16Å; E795-L832 HydrophobicContact CB-CD2 4.34Å; E795-L832 HydrophobicContact CB-CG 4.12Å; E795-L832 HydrophobicContact CG-CD2 3.88Å; E795-L832 HydrophobicContact CG-CG 3.92Å; E795-L832 WeakPolarHBondContact OE1-CD2 3.48Å; I805-L832 HydrophobicContact CG2-CD1 4.1Å |
| 833 | C | 90.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 31% | 0.311 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -135.3 | -176.7 | 177.5 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | G792 S793 C835 | G792-C833 WeakPolarHBondContact CA-SG 3.34Å; S793-C833 PolarHBondContact N-SG 3Å; C833-C835 PolarHBondContact O-N 2.96Å; C833-C835 VanDerWaalsContact O-N 3.17Å; C833-C835 PolarHBondContact O-SG 3.33Å |
| 834 | Y | 87.8 | Confident | 91.2 | Very high | 128 Ų | 128 | 38.7 Ų | 38.7 | 50% | 0.502 | 18% | 0.184 | S | C | . | . | trans | -59.5 | 120.2 | 164.6 | -65.1 | -77 | 0 | 0 | 0 | 109.6 | H709 A770 P771 P772 | H709-Y834 AromaticContact CD2-CE1 3.51Å; H709-Y834 AromaticContact CD2-CZ 3.95Å; H709-Y834 AromaticContact CE1-CD1 3.49Å; H709-Y834 VanDerWaalsContact CE1-CD1 3.49Å; H709-Y834 WeakPolarHBondContact CE1-CD1 3.3Å; H709-Y834 AromaticContact CE1-CE1 3.69Å; H709-Y834 AromaticContact CG-CE1 3.79Å; H709-Y834 AromaticContact ND1-CE1 3.88Å; H709-Y834 AromaticContact NE2-CD1 3.5Å; H709-Y834 WeakPolarHBondContact NE2-CD1 3.16Å; H709-Y834 AromaticContact NE2-CE1 3.46Å; H709-Y834 WeakPolarHBondContact NE2-CE1 3.14Å; A770-Y834 WeakPolarHBondContact O-CA 3.33Å; P771-Y834 HydrophobicContact CB-CD1 4.18Å; P771-Y834 HydrophobicContact CB-CE1 3.86Å; P772-Y834 HydrophobicContact CG-CE2 4.26Å | ||
| 835 | C | 89.8 | Confident | 91.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134 | -177.4 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | H769 A770 L789 R791 S793 I794 C833 L837 | H769-C835 WeakPolarHBondContact CA-O 3.43Å; A770-C835 HydrophobicContact CB-CB 4.38Å; A770-C835 PolarHBondContact N-O 3.06Å; A770-C835 PolarHBondContact O-N 3.23Å; L789-C835 HydrophobicContact CD1-CB 4.03Å; R791-C835 CarbonylContact O-C 3.57Å; R791-C835 VanDerWaalsContact O-CA 3.27Å; R791-C835 WeakPolarHBondContact O-CA 3.42Å; S793-C835 PolarHBondContact N-SG 2.91Å; S793-C835 VanDerWaalsContact N-SG 3.41Å; S793-C835 PolarHBondContact O-SG 3.01Å; I794-C835 HydrophobicContact CD1-CB 4.47Å; I794-C835 HydrophobicContact CG1-CB 4.37Å; C833-C835 PolarHBondContact O-N 2.96Å; C833-C835 VanDerWaalsContact O-N 3.17Å; C833-C835 PolarHBondContact O-SG 3.33Å; C835-L837 HydrophobicContact CB-CD2 4Å |
| 836 | D | 88.9 | Confident | 91.3 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.9 | 170.8 | -57.9 | -38.7 | 0 | 0 | 0 | 107.6 | H769 S790 R791 | H769-D836 IonicContact CE1-OD1 2.76Å; H769-D836 PolarHBondContact CE1-OD1 2.87Å; H769-D836 VanDerWaalsContact CE1-OD1 3.32Å; H769-D836 IonicContact CG-OD1 3.21Å; H769-D836 IonicContact ND1-OD1 3.55Å; H769-D836 PolarHBondContact ND1-OD1 3.14Å; S790-D836 WeakPolarHBondContact CA-O 3.38Å; S790-D836 WeakPolarHBondContact CB-O 3.34Å; S790-D836 PolarHBondContact N-O 2.75Å; R791-D836 HydrophobicContact CB-CB 4.04Å; R791-D836 WeakPolarHBondContact CD-OD2 3.37Å; R791-D836 PolarHBondContact N-O 3.07Å; R791-D836 VanDerWaalsContact N-O 3.1Å; R791-D836 PolarHBondContact O-N 3.15Å |
| 837 | L | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.6 | -179.2 | 49.2 | 143.3 | 0 | 0 | 0 | 110.8 | T768 A770 L776 Y787 F788 C835 T839 | T768-L837 PolarHBondContact N-O 3.39Å; T768-L837 PolarHBondContact O-N 3.46Å; T768-L837 VanDerWaalsContact O-O 3.07Å; T768-L837 WeakPolarHBondContact OG1-CD1 3.5Å; T768-L837 WeakPolarHBondContact OG1-CG 3.48Å; T768-L837 PolarHBondContact OG1-O 2.97Å; T768-L837 VanDerWaalsContact OG1-O 3.1Å; A770-L837 HydrophobicContact CB-CD2 3.88Å; L776-L837 HydrophobicContact CD1-CD1 3.83Å; L776-L837 HydrophobicContact CD1-CD2 4.13Å; L776-L837 HydrophobicContact CD2-CD1 3.96Å; Y787-L837 HydrophobicContact CD1-CD1 3.74Å; Y787-L837 HydrophobicContact CE1-CD1 4.24Å; F788-L837 WeakPolarHBondContact O-CA 3.48Å; C835-L837 HydrophobicContact CB-CD2 4Å; L837-T839 HydrophobicContact CD1-CG2 4.07Å |
| 838 | S | 91.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.1 | 171.5 | -61.1 | 0 | 0 | 0 | 0 | 108.5 | F788 | F788-S838 PolarHBondContact N-O 3.24Å; F788-S838 PolarHBondContact O-N 2.83Å |
| 839 | T | 91.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.9 | 179.3 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | R766 L786 Y787 L837 | R766-T839 PolarHBondContact N-O 3.26Å; R766-T839 PolarHBondContact O-N 2.92Å; R766-T839 PolarHBondContact O-OG1 3.21Å; L786-T839 WeakPolarHBondContact O-CA 2.97Å; Y787-T839 HydrophobicContact CD1-CG2 3.49Å; Y787-T839 VanDerWaalsContact CD1-CG2 3.49Å; Y787-T839 HydrophobicContact CE1-CG2 3.71Å; Y787-T839 HydrophobicContact CG-CG2 4.26Å; L837-T839 HydrophobicContact CD1-CG2 4.07Å |
| 840 | I | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.1 | 168.6 | -167.1 | 166.7 | 0 | 0 | 0 | 108.3 | L761 R764 F765 A785 L786 F788 D844 L845 | L761-I840 HydrophobicContact CD2-CD1 4.2Å; R764-I840 HydrophobicContact CB-CD1 3.98Å; R764-I840 HydrophobicContact CB-CG1 4.18Å; F765-I840 HydrophobicContact CD1-CB 3.9Å; F765-I840 HydrophobicContact CD2-CD1 4.5Å; F765-I840 HydrophobicContact CE1-CB 3.83Å; F765-I840 HydrophobicContact CE1-CG2 3.97Å; F765-I840 HydrophobicContact CE2-CD1 4.4Å; F765-I840 HydrophobicContact CZ-CB 4.47Å; F765-I840 HydrophobicContact CZ-CD1 4.4Å; F765-I840 HydrophobicContact CZ-CG2 4.41Å; A785-I840 VanDerWaalsContact CA-O 3.29Å; A785-I840 WeakPolarHBondContact CA-O 3.4Å; A785-I840 WeakPolarHBondContact CB-O 3.41Å; L786-I840 HydrophobicContact CB-CG2 4.09Å; L786-I840 PolarHBondContact N-O 2.9Å; L786-I840 PolarHBondContact O-N 3.44Å; L786-I840 VanDerWaalsContact O-N 3.13Å; F788-I840 HydrophobicContact CE2-CG2 4.12Å; I840-D844 HydrophobicContact CG1-CB 4.33Å; I840-L845 HydrophobicContact CD1-CB 3.99Å; I840-L845 HydrophobicContact CD1-CD1 4.16Å; I840-L845 HydrophobicContact CG1-CB 4.1Å; I840-L845 HydrophobicContact CG2-CB 4.4Å; I840-L845 HydrophobicContact CG2-CD2 4.1Å |
| 841 | Q | 92.4 | Very high | 91.1 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 149.5 | 179.7 | -50.2 | -159.4 | -107.2 | 0 | 0 | 109.6 | E843 D844 L845 | Q841-E843 VanDerWaalsContact C-N 3.26Å; Q841-E843 PolarHBondContact O-N 3.41Å; Q841-D844 HydrophobicContact CB-CB 4.05Å; Q841-D844 PolarHBondContact O-N 3.47Å; Q841-L845 WeakPolarHBondContact O-CB 3.37Å; Q841-L845 PolarHBondContact O-N 3.42Å |
| 842 | R | 89.7 | Confident | 91.1 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -42.3 | -179.7 | 175.1 | 179.3 | 174.8 | 108 | 10.3 | 111.3 | T784 E814 I816 Y819 T820 L846 | T784-R842 WeakPolarHBondContact O-CB 3.35Å; T784-R842 PolarHBondContact O-N 3.46Å; E814-R842 IonicContact OE1-NH1 3.57Å; E814-R842 PolarHBondContact OE1-NH1 2.86Å; I816-R842 HydrophobicContact CD1-CB 4.43Å; I816-R842 HydrophobicContact CD1-CG 4.21Å; I816-R842 HydrophobicContact CG1-CG 4.21Å; I816-R842 HydrophobicContact CG2-CG 4.25Å; Y819-R842 PolarHBondContact O-NH2 2.72Å; T820-R842 PolarHBondContact O-NH2 3.07Å; T820-R842 VanDerWaalsContact O-NH2 3.09Å; R842-L846 HydrophobicContact CG-CD1 4Å; R842-L846 WeakPolarHBondContact O-CB 3.26Å; R842-L846 VanDerWaalsContact O-CG 3.29Å; R842-L846 WeakPolarHBondContact O-CG 3.38Å; R842-L846 PolarHBondContact O-N 2.9Å |
| 843 | E | 90.3 | Very high | 91 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.9 | -46 | -178.9 | -59.1 | 67.2 | -145.6 | 0 | 0 | 111 | Q841 L845 L846 E847 | Q841-E843 VanDerWaalsContact C-N 3.26Å; Q841-E843 PolarHBondContact O-N 3.41Å; E843-L845 VanDerWaalsContact C-N 3.3Å; E843-L845 PolarHBondContact O-N 3.18Å; E843-L846 PolarHBondContact O-N 3.04Å; E843-E847 PolarHBondContact O-N 2.97Å |
| 844 | D | 92.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 175.4 | -80.9 | -28.5 | 0 | 0 | 0 | 112.1 | R764 R766 I840 Q841 V848 | R764-D844 HydrophobicContact CB-CB 3.97Å; R764-D844 WeakPolarHBondContact CD-OD1 3.37Å; R764-D844 HydrophobicContact CG-CB 3.99Å; R764-D844 IonicContact CZ-OD1 3.77Å; R764-D844 IonicContact NE-OD1 2.7Å; R764-D844 IonicContact NH1-OD1 3.41Å; R764-D844 PolarHBondContact NH1-OD1 3.13Å; R766-D844 IonicContact NH2-OD2 2.72Å; I840-D844 HydrophobicContact CG1-CB 4.33Å; Q841-D844 HydrophobicContact CB-CB 4.05Å; Q841-D844 PolarHBondContact O-N 3.47Å; D844-V848 WeakPolarHBondContact O-CG2 3.12Å |
| 845 | L | 91.5 | Very high | 91 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74 | -44.5 | 177.7 | 177.9 | 54.1 | 0 | 0 | 0 | 111.4 | L761 L786 I816 I840 Q841 E843 E847 V848 L849 F859 | L761-L845 HydrophobicContact CD2-CD1 3.71Å; L786-L845 HydrophobicContact CD2-CD2 4.28Å; I816-L845 HydrophobicContact CD1-CD2 3.83Å; I840-L845 HydrophobicContact CD1-CB 3.99Å; I840-L845 HydrophobicContact CD1-CD1 4.16Å; I840-L845 HydrophobicContact CG1-CB 4.1Å; I840-L845 HydrophobicContact CG2-CB 4.4Å; I840-L845 HydrophobicContact CG2-CD2 4.1Å; Q841-L845 WeakPolarHBondContact O-CB 3.37Å; Q841-L845 PolarHBondContact O-N 3.42Å; E843-L845 VanDerWaalsContact C-N 3.3Å; E843-L845 PolarHBondContact O-N 3.18Å; L845-E847 PolarHBondContact O-N 3.09Å; L845-V848 PolarHBondContact O-N 3.08Å; L845-L849 HydrophobicContact CD1-CD1 3.92Å; L845-L849 HydrophobicContact CD1-CD2 4.31Å; L845-L849 HydrophobicContact CD1-CG 3.91Å; L845-L849 HydrophobicContact CG-CD1 3.97Å; L845-L849 HydrophobicContact CG-CG 4.35Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 3.39Å; L845-F859 HydrophobicContact CD1-CE1 4.32Å; L845-F859 HydrophobicContact CD1-CZ 4.41Å; L845-F859 HydrophobicContact CD2-CE1 4.11Å; L845-F859 HydrophobicContact CD2-CZ 4.22Å |
| 846 | L | 90.3 | Very high | 90.9 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 177.7 | -77.9 | 169.3 | 0 | 0 | 0 | 111.9 | I816 R842 E843 V848 L849 D850 | I816-L846 HydrophobicContact CG2-CD1 4.08Å; I816-L846 HydrophobicContact CG2-CD2 3.74Å; I816-L846 HydrophobicContact CG2-CG 3.93Å; R842-L846 HydrophobicContact CG-CD1 4Å; R842-L846 WeakPolarHBondContact O-CB 3.26Å; R842-L846 VanDerWaalsContact O-CG 3.29Å; R842-L846 WeakPolarHBondContact O-CG 3.38Å; R842-L846 PolarHBondContact O-N 2.9Å; E843-L846 PolarHBondContact O-N 3.04Å; L846-V848 PolarHBondContact O-N 3.43Å; L846-L849 PolarHBondContact O-N 3.41Å; L846-D850 WeakPolarHBondContact O-CB 3.3Å; L846-D850 VanDerWaalsContact O-CG 3.3Å; L846-D850 PolarHBondContact O-N 3.29Å |
| 847 | E | 91.9 | Very high | 90.8 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.8 | -40.4 | 176.4 | -172.2 | -153.6 | -118.8 | 0 | 0 | 112.1 | R764 E843 L845 M851 | R764-E847 IonicContact CZ-OE2 3.63Å; R764-E847 VanDerWaalsContact CZ-OE2 3.29Å; R764-E847 IonicContact NE-OE2 2.74Å; R764-E847 PolarHBondContact NE-OE2 2.88Å; R764-E847 IonicContact NH2-OE1 3.15Å; R764-E847 PolarHBondContact NH2-OE1 3.35Å; R764-E847 IonicContact NH2-OE2 2.87Å; R764-E847 PolarHBondContact NH2-OE2 3.19Å; E843-E847 PolarHBondContact O-N 2.97Å; L845-E847 PolarHBondContact O-N 3.09Å; E847-M851 HydrophobicContact CG-CE 4.33Å; E847-M851 WeakPolarHBondContact O-CE 3.41Å; E847-M851 WeakPolarHBondContact O-CG 3.31Å; E847-M851 PolarHBondContact O-N 2.76Å |
| 848 | V | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.1 | -33.2 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | A760 L761 R764 D844 L845 L846 M851 Y852 | A760-V848 HydrophobicContact CB-CG1 3.76Å; A760-V848 HydrophobicContact CB-CG2 4.05Å; L761-V848 HydrophobicContact CD2-CB 4.15Å; L761-V848 HydrophobicContact CD2-CG1 3.7Å; L761-V848 HydrophobicContact CG-CG1 3.83Å; R764-V848 HydrophobicContact CG-CG2 4.09Å; D844-V848 WeakPolarHBondContact O-CG2 3.12Å; L845-V848 PolarHBondContact O-N 3.08Å; L846-V848 PolarHBondContact O-N 3.43Å; V848-M851 HydrophobicContact CB-CE 4.48Å; V848-M851 HydrophobicContact CG2-CE 4.07Å; V848-M851 PolarHBondContact O-N 2.88Å; V848-Y852 HydrophobicContact CG1-CD2 4.22Å; V848-Y852 WeakPolarHBondContact O-CD2 3.43Å; V848-Y852 PolarHBondContact O-N 3.31Å |
| 849 | L | 90.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.8 | -36.1 | 175.9 | -66.5 | -179.7 | 0 | 0 | 0 | 112.1 | L845 L846 M851 Y852 F855 F859 F860 | L845-L849 HydrophobicContact CD1-CD1 3.92Å; L845-L849 HydrophobicContact CD1-CD2 4.31Å; L845-L849 HydrophobicContact CD1-CG 3.91Å; L845-L849 HydrophobicContact CG-CD1 3.97Å; L845-L849 HydrophobicContact CG-CG 4.35Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 3.39Å; L846-L849 PolarHBondContact O-N 3.41Å; L849-M851 VanDerWaalsContact C-N 3.3Å; L849-M851 PolarHBondContact O-N 2.99Å; L849-Y852 CarbonylContact O-C 3.57Å; L849-Y852 VanDerWaalsContact O-C 3.23Å; L849-Y852 PolarHBondContact O-N 2.96Å; L849-Y852 VanDerWaalsContact O-N 3.11Å; L849-F855 HydrophobicContact CD2-CD1 3.88Å; L849-F855 HydrophobicContact CD2-CE1 3.97Å; L849-F859 HydrophobicContact CD1-CD1 3.79Å; L849-F859 HydrophobicContact CD1-CE1 4.05Å; L849-F859 HydrophobicContact CD2-CB 4.35Å; L849-F859 HydrophobicContact CD2-CD1 4.04Å; L849-F859 HydrophobicContact CD2-CG 4.27Å; L849-F860 HydrophobicContact CD1-CE1 3.92Å; L849-F860 HydrophobicContact CD1-CE2 3.97Å; L849-F860 HydrophobicContact CD1-CZ 3.39Å |
| 850 | D | 91.5 | Very high | 90.5 | Very high | 128 Ų | 128 | 57 Ų | 57 | 68% | 0.684 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.3 | -33.4 | 173.6 | -69.4 | -19.7 | 0 | 0 | 0 | 111.9 | L846 Y852 | L846-D850 WeakPolarHBondContact O-CB 3.3Å; L846-D850 VanDerWaalsContact O-CG 3.3Å; L846-D850 PolarHBondContact O-N 3.29Å; D850-Y852 VanDerWaalsContact C-N 3.33Å |
| 851 | M | 90.8 | Very high | 90.2 | Very high | 109 Ų | 109 | 63.2 Ų | 63.2 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73 | -19 | 172.6 | -76 | -170.3 | -72 | 0 | 0 | 114.4 | E847 V848 L849 | E847-M851 HydrophobicContact CG-CE 4.33Å; E847-M851 WeakPolarHBondContact O-CE 3.41Å; E847-M851 WeakPolarHBondContact O-CG 3.31Å; E847-M851 PolarHBondContact O-N 2.76Å; V848-M851 HydrophobicContact CB-CE 4.48Å; V848-M851 HydrophobicContact CG2-CE 4.07Å; V848-M851 PolarHBondContact O-N 2.88Å; L849-M851 VanDerWaalsContact C-N 3.3Å; L849-M851 PolarHBondContact O-N 2.99Å |
| 852 | Y | 93.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | trans | -134.5 | 66.8 | -175.8 | -67.1 | -81.7 | 0 | 0 | 0 | 111.5 | G756 C757 A760 V848 L849 D850 E854 F855 S856 | G756-Y852 VanDerWaalsContact C-OH 3.24Å; C757-Y852 HydrophobicContact CB-CD1 3.99Å; C757-Y852 HydrophobicContact CB-CD2 3.84Å; C757-Y852 HydrophobicContact CB-CE1 4.1Å; C757-Y852 HydrophobicContact CB-CE2 3.98Å; C757-Y852 HydrophobicContact CB-CG 3.86Å; C757-Y852 PolarHBondContact N-OH 3.47Å; A760-Y852 HydrophobicContact CB-CE2 4.31Å; V848-Y852 HydrophobicContact CG1-CD2 4.22Å; V848-Y852 WeakPolarHBondContact O-CD2 3.43Å; V848-Y852 PolarHBondContact O-N 3.31Å; L849-Y852 CarbonylContact O-C 3.57Å; L849-Y852 VanDerWaalsContact O-C 3.23Å; L849-Y852 PolarHBondContact O-N 2.96Å; L849-Y852 VanDerWaalsContact O-N 3.11Å; D850-Y852 VanDerWaalsContact C-N 3.33Å; Y852-E854 VanDerWaalsContact C-N 3.33Å; Y852-E854 PolarHBondContact O-N 3.35Å; Y852-F855 WeakPolarHBondContact O-CA 3.42Å; Y852-F855 WeakPolarHBondContact O-CB 3.45Å; Y852-F855 PolarHBondContact O-N 2.96Å; Y852-S856 PolarHBondContact O-N 3.41Å; Y852-S856 VanDerWaalsContact O-N 3.07Å | ||
| 853 | P | 89.5 | Confident | 90 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | -173.6 | 23.4 | -34.3 | 0 | 0 | 0 | 114 | F855 S856 | P853-F855 PolarHBondContact O-N 3.07Å; P853-S856 PolarHBondContact O-N 3.09Å; P853-S856 PolarHBondContact O-OG 3.12Å; P853-S856 VanDerWaalsContact O-OG 3.04Å |
| 854 | E | 87.5 | Confident | 89.7 | Confident | 181 Ų | 181 | 63.5 Ų | 63.5 | 85% | 0.846 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.8 | -28.2 | 173.5 | -62.3 | -179.5 | 169.6 | 0 | 0 | 112.8 | Y852 | Y852-E854 VanDerWaalsContact C-N 3.33Å; Y852-E854 PolarHBondContact O-N 3.35Å |
| 855 | F | 90.8 | Very high | 89.5 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -90.1 | -27.3 | 177.3 | 176.5 | -106.7 | 0 | 0 | 0 | 112.6 | A749 F750 A753 C757 L761 L849 Y852 P853 Y858 F859 | A749-F855 VanDerWaalsContact O-CE2 3.28Å; A749-F855 WeakPolarHBondContact O-CE2 3.34Å; A749-F855 VanDerWaalsContact O-CZ 3.27Å; A749-F855 WeakPolarHBondContact O-CZ 3.48Å; F750-F855 AromaticContact CD1-CZ 3.99Å; F750-F855 HydrophobicContact CD1-CZ 3.99Å; A753-F855 HydrophobicContact CB-CD2 3.88Å; A753-F855 HydrophobicContact CB-CE2 3.49Å; A753-F855 VanDerWaalsContact CB-CE2 3.49Å; A753-F855 HydrophobicContact CB-CZ 3.84Å; C757-F855 WeakPolarHBondContact SG-CD1 3.41Å; L761-F855 HydrophobicContact CD1-CE1 4.06Å; L849-F855 HydrophobicContact CD2-CD1 3.88Å; L849-F855 HydrophobicContact CD2-CE1 3.97Å; Y852-F855 WeakPolarHBondContact O-CA 3.42Å; Y852-F855 WeakPolarHBondContact O-CB 3.45Å; Y852-F855 PolarHBondContact O-N 2.96Å; P853-F855 PolarHBondContact O-N 3.07Å; F855-Y858 HydrophobicContact CD2-CD1 4.21Å; F855-Y858 AromaticContact CE2-CD1 3.96Å; F855-Y858 HydrophobicContact CE2-CD1 3.96Å; F855-Y858 PolarHBondContact O-N 3.42Å; F855-F859 HydrophobicContact CD1-CB 4.3Å; F855-F859 HydrophobicContact CE1-CB 3.82Å; F855-F859 HydrophobicContact CE1-CD2 4.04Å; F855-F859 HydrophobicContact CE1-CG 4.1Å; F855-F859 HydrophobicContact CE2-CB 4.31Å; F855-F859 HydrophobicContact CZ-CB 3.82Å; F855-F859 AromaticContact CZ-CD2 3.79Å; F855-F859 HydrophobicContact CZ-CD2 3.79Å; F855-F859 HydrophobicContact CZ-CG 4.16Å; F855-F859 VanDerWaalsContact O-CB 3.24Å; F855-F859 WeakPolarHBondContact O-CB 3.4Å; F855-F859 PolarHBondContact O-N 2.92Å |
| 856 | S | 88.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | -176.4 | 68 | 0 | 0 | 0 | 0 | 112.6 | Y852 P853 Y858 F859 F860 | Y852-S856 PolarHBondContact O-N 3.41Å; Y852-S856 VanDerWaalsContact O-N 3.07Å; P853-S856 PolarHBondContact O-N 3.09Å; P853-S856 PolarHBondContact O-OG 3.12Å; P853-S856 VanDerWaalsContact O-OG 3.04Å; S856-Y858 PolarHBondContact O-N 2.97Å; S856-F859 PolarHBondContact O-N 3.32Å; S856-F860 WeakPolarHBondContact O-CD2 3.29Å; S856-F860 PolarHBondContact O-N 2.91Å |
| 857 | D | 86.8 | Confident | 89.4 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 61% | 0.61 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 171.2 | -79.4 | -26 | 0 | 0 | 0 | 111.6 | N861 | D857-N861 WeakPolarHBondContact O-CB 3.44Å; D857-N861 PolarHBondContact O-N 3.48Å; D857-N861 PolarHBondContact O-ND2 3.3Å |
| 858 | Y | 89.6 | Confident | 89.3 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 31% | 0.314 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176 | -179.9 | -85.1 | 0 | 0 | 0 | 111.7 | F855 S856 N861 N862 | F855-Y858 HydrophobicContact CD2-CD1 4.21Å; F855-Y858 AromaticContact CE2-CD1 3.96Å; F855-Y858 HydrophobicContact CE2-CD1 3.96Å; F855-Y858 PolarHBondContact O-N 3.42Å; S856-Y858 PolarHBondContact O-N 2.97Å; Y858-N861 PolarHBondContact O-N 3.24Å; Y858-N862 HydrophobicContact CE1-CB 4.47Å; Y858-N862 WeakPolarHBondContact CE2-ND2 3.15Å; Y858-N862 WeakPolarHBondContact O-CB 3.28Å; Y858-N862 PolarHBondContact O-N 3.39Å; Y858-N862 PolarHBondContact O-ND2 3.27Å |
| 859 | F | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | -178.6 | 177.7 | -107.4 | 0 | 0 | 0 | 111 | A749 F750 L845 L849 F855 S856 N861 N862 L863 | A749-F859 HydrophobicContact CB-CD2 3.71Å; A749-F859 HydrophobicContact CB-CE2 3.83Å; F750-F859 HydrophobicContact CD1-CD2 4.34Å; F750-F859 HydrophobicContact CD1-CE2 4.19Å; F750-F859 HydrophobicContact CE1-CD2 4.01Å; F750-F859 AromaticContact CE1-CE2 3.46Å; F750-F859 HydrophobicContact CE1-CE2 3.46Å; F750-F859 VanDerWaalsContact CE1-CE2 3.46Å; F750-F859 HydrophobicContact CE1-CZ 4.36Å; F750-F859 AromaticContact CZ-CE2 3.71Å; F750-F859 HydrophobicContact CZ-CE2 3.71Å; F750-F859 HydrophobicContact CZ-CZ 4.45Å; L845-F859 HydrophobicContact CD1-CE1 4.32Å; L845-F859 HydrophobicContact CD1-CZ 4.41Å; L845-F859 HydrophobicContact CD2-CE1 4.11Å; L845-F859 HydrophobicContact CD2-CZ 4.22Å; L849-F859 HydrophobicContact CD1-CD1 3.79Å; L849-F859 HydrophobicContact CD1-CE1 4.05Å; L849-F859 HydrophobicContact CD2-CB 4.35Å; L849-F859 HydrophobicContact CD2-CD1 4.04Å; L849-F859 HydrophobicContact CD2-CG 4.27Å; F855-F859 HydrophobicContact CD1-CB 4.3Å; F855-F859 HydrophobicContact CE1-CB 3.82Å; F855-F859 HydrophobicContact CE1-CD2 4.04Å; F855-F859 HydrophobicContact CE1-CG 4.1Å; F855-F859 HydrophobicContact CE2-CB 4.31Å; F855-F859 HydrophobicContact CZ-CB 3.82Å; F855-F859 AromaticContact CZ-CD2 3.79Å; F855-F859 HydrophobicContact CZ-CD2 3.79Å; F855-F859 HydrophobicContact CZ-CG 4.16Å; F855-F859 VanDerWaalsContact O-CB 3.24Å; F855-F859 WeakPolarHBondContact O-CB 3.4Å; F855-F859 PolarHBondContact O-N 2.92Å; S856-F859 PolarHBondContact O-N 3.32Å; F859-N861 PolarHBondContact O-N 3.44Å; F859-N862 CarbonylContact O-C 3.54Å; F859-N862 PolarHBondContact O-N 2.87Å; F859-L863 HydrophobicContact CE1-CD2 3.85Å; F859-L863 HydrophobicContact CE2-CD1 4.22Å; F859-L863 HydrophobicContact CZ-CD1 4.04Å; F859-L863 HydrophobicContact CZ-CD2 3.84Å; F859-L863 HydrophobicContact CZ-CG 4.4Å; F859-L863 VanDerWaalsContact O-CB 3.25Å; F859-L863 WeakPolarHBondContact O-CB 3.28Å; F859-L863 PolarHBondContact O-N 3.4Å |
| 860 | F | 86.9 | Confident | 88.8 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.3 | -31.3 | -178.5 | -66.7 | -48.7 | 0 | 0 | 0 | 113.6 | H817 L849 S856 N862 | H817-F860 HydrophobicContact CB-CB 4.44Å; H817-F860 HydrophobicContact CB-CD1 3.77Å; H817-F860 HydrophobicContact CB-CD2 3.8Å; H817-F860 HydrophobicContact CB-CE1 3.84Å; H817-F860 HydrophobicContact CB-CE2 3.86Å; H817-F860 HydrophobicContact CB-CG 3.75Å; H817-F860 HydrophobicContact CB-CZ 3.87Å; H817-F860 AromaticContact CG-CD1 3.93Å; H817-F860 AromaticContact CG-CG 3.89Å; H817-F860 AromaticContact ND1-CD1 3.44Å; H817-F860 WeakPolarHBondContact ND1-CD1 3.41Å; H817-F860 AromaticContact ND1-CG 3.66Å; L849-F860 HydrophobicContact CD1-CE1 3.92Å; L849-F860 HydrophobicContact CD1-CE2 3.97Å; L849-F860 HydrophobicContact CD1-CZ 3.39Å; S856-F860 WeakPolarHBondContact O-CD2 3.29Å; S856-F860 PolarHBondContact O-N 2.91Å; F860-N862 VanDerWaalsContact C-N 3.32Å |
| 861 | N | 87 | Confident | 88.1 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.5 | -21.5 | 174 | -80 | -72.8 | 0 | 0 | 0 | 113.7 | D857 Y858 F859 | D857-N861 WeakPolarHBondContact O-CB 3.44Å; D857-N861 PolarHBondContact O-N 3.48Å; D857-N861 PolarHBondContact O-ND2 3.3Å; Y858-N861 PolarHBondContact O-N 3.24Å; F859-N861 PolarHBondContact O-N 3.44Å |
| 862 | N | 88.5 | Confident | 86.9 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -111 | -1.8 | -178.1 | -68.1 | -76.7 | 0 | 0 | 0 | 114.2 | A749 Y858 F859 F860 E864 | A749-N862 HydrophobicContact CB-CB 4.43Å; Y858-N862 HydrophobicContact CE1-CB 4.47Å; Y858-N862 WeakPolarHBondContact CE2-ND2 3.15Å; Y858-N862 WeakPolarHBondContact O-CB 3.28Å; Y858-N862 PolarHBondContact O-N 3.39Å; Y858-N862 PolarHBondContact O-ND2 3.27Å; F859-N862 CarbonylContact O-C 3.54Å; F859-N862 PolarHBondContact O-N 2.87Å; F860-N862 VanDerWaalsContact C-N 3.32Å; N862-E864 PolarHBondContact O-N 2.84Å |
| 863 | L | 87.8 | Confident | 85 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | trans | -86.4 | 84.8 | 177.3 | -175.1 | 72.2 | 0 | 0 | 0 | 111.3 | A749 L786 I811 F859 L865 | A749-L863 HydrophobicContact CB-CB 4.31Å; A749-L863 HydrophobicContact CB-CD1 4.27Å; L786-L863 HydrophobicContact CD2-CD1 4.47Å; L786-L863 HydrophobicContact CD2-CD2 4.11Å; I811-L863 HydrophobicContact CD1-CD1 4.02Å; F859-L863 HydrophobicContact CE1-CD2 3.85Å; F859-L863 HydrophobicContact CE2-CD1 4.22Å; F859-L863 HydrophobicContact CZ-CD1 4.04Å; F859-L863 HydrophobicContact CZ-CD2 3.84Å; F859-L863 HydrophobicContact CZ-CG 4.4Å; F859-L863 VanDerWaalsContact O-CB 3.25Å; F859-L863 WeakPolarHBondContact O-CB 3.28Å; F859-L863 PolarHBondContact O-N 3.4Å; L863-L865 HydrophobicContact CD1-CD2 4.46Å; L863-L865 HydrophobicContact CD2-CD2 4.32Å; L863-L865 HydrophobicContact CG-CD2 4.16Å | ||
| 864 | E | 85.7 | Confident | 82.8 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | trans | -77.5 | 120.1 | 167.8 | -60.8 | 175.3 | 133.3 | 0 | 0 | 109.2 | K748 N862 | K748-E864 IonicContact NZ-OE2 2.76Å; K748-E864 PolarHBondContact NZ-OE2 3.27Å; N862-E864 PolarHBondContact O-N 2.84Å | ||
| 865 | L | 88.3 | Confident | 80.7 | Confident | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | trans | -88.6 | 131.8 | 170.3 | -60.7 | -170.7 | 0 | 0 | 0 | 110 | L786 I811 M815 L863 F867 | L786-L865 HydrophobicContact CD1-CD2 3.79Å; I811-L865 HydrophobicContact CB-CD2 4.21Å; I811-L865 HydrophobicContact CG2-CD2 3.64Å; M815-L865 HydrophobicContact CB-CD1 4.49Å; M815-L865 HydrophobicContact CE-CB 4.28Å; M815-L865 HydrophobicContact CE-CG 4.04Å; M815-L865 HydrophobicContact CG-CD1 3.6Å; M815-L865 HydrophobicContact CG-CG 3.94Å; L863-L865 HydrophobicContact CD1-CD2 4.46Å; L863-L865 HydrophobicContact CD2-CD2 4.32Å; L863-L865 HydrophobicContact CG-CD2 4.16Å; L865-F867 VanDerWaalsContact C-N 3.32Å | ||
| 866 | T | 89.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -68.3 | -35 | 173.9 | -41.7 | 0 | 0 | 0 | 0 | 111.2 | L806 D810 I811 | L806-T866 HydrophobicContact CD2-CG2 3.55Å; D810-T866 HydrophobicContact CB-CG2 4.36Å; D810-T866 WeakPolarHBondContact CB-OG1 3.46Å; D810-T866 WeakPolarHBondContact OD1-CB 3.37Å; D810-T866 WeakPolarHBondContact OD1-CG2 3.29Å; D810-T866 PolarHBondContact OD1-OG1 3.46Å; I811-T866 PolarHBondContact N-OG1 2.89Å; I811-T866 PolarHBondContact O-N 2.66Å |
| 867 | F | 89.3 | Confident | 75.6 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 21% | 0.211 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 127.2 | 172.5 | -160.3 | -87.4 | 0 | 0 | 0 | 111.5 | I796 V803 A804 L806 L865 L869 | I796-F867 HydrophobicContact CD1-CB 3.71Å; I796-F867 HydrophobicContact CD1-CD1 3.59Å; I796-F867 HydrophobicContact CD1-CD2 4.16Å; I796-F867 HydrophobicContact CD1-CE1 4.23Å; I796-F867 HydrophobicContact CD1-CG 3.55Å; I796-F867 HydrophobicContact CG2-CD1 4.41Å; I796-F867 HydrophobicContact CG2-CE1 4.01Å; I796-F867 HydrophobicContact CG2-CZ 4.16Å; V803-F867 HydrophobicContact CG1-CE2 3.87Å; V803-F867 HydrophobicContact CG1-CZ 4.12Å; A804-F867 HydrophobicContact CB-CD2 3.83Å; A804-F867 HydrophobicContact CB-CE2 4.1Å; L806-F867 HydrophobicContact CD2-CB 4.46Å; L865-F867 VanDerWaalsContact C-N 3.32Å; F867-L869 HydrophobicContact CD1-CD2 3.85Å; F867-L869 HydrophobicContact CD1-CG 4.24Å; F867-L869 HydrophobicContact CE1-CD2 3.97Å |
| 868 | N | 90.2 | Very high | 73.2 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.9 | 169.9 | -178.9 | 7.8 | 0 | 0 | 0 | 108.8 | G813 R870 | G813-N868 PolarHBondContact O-OD1 3.42Å; N868-R870 VanDerWaalsContact C-N 3.32Å; N868-R870 WeakPolarHBondContact OD1-CB 3.14Å; N868-R870 PolarHBondContact OD1-N 3.39Å; N868-R870 VanDerWaalsContact OD1-N 3.1Å |
| 869 | L | 88.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | -79.8 | -10.3 | -178.3 | -74.5 | 172.1 | 0 | 0 | 0 | 113.5 | L783 I796 F812 G813 S825 N826 A827 V829 F867 | L783-L869 HydrophobicContact CD1-CB 3.78Å; L783-L869 HydrophobicContact CD2-CB 3.88Å; L783-L869 HydrophobicContact CD2-CD1 3.97Å; I796-L869 HydrophobicContact CD1-CD2 4.27Å; I796-L869 HydrophobicContact CG2-CD2 4.26Å; F812-L869 HydrophobicContact CD2-CD1 3.92Å; G813-L869 PolarHBondContact O-N 3.36Å; S825-L869 CarbonylContact C-O 3.55Å; S825-L869 WeakPolarHBondContact CA-O 3.49Å; N826-L869 VanDerWaalsContact CB-O 3.27Å; N826-L869 WeakPolarHBondContact CB-O 3.47Å; N826-L869 PolarHBondContact N-O 3.25Å; A827-L869 HydrophobicContact CB-CD2 4.43Å; V829-L869 HydrophobicContact CG2-CD1 3.89Å; V829-L869 HydrophobicContact CG2-CD2 3.76Å; F867-L869 HydrophobicContact CD1-CD2 3.85Å; F867-L869 HydrophobicContact CD1-CG 4.24Å; F867-L869 HydrophobicContact CE1-CD2 3.97Å | ||
| 870 | R | 84.9 | Confident | 67.9 | Low | 37 Ų | 37 | 85.4 Ų | 85.4 | 14% | 0.14 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 136.1 | -171.4 | -173.9 | 170.9 | -178.3 | 127.8 | -4.7 | 113.2 | L783 E814 Y819 T821 G823 K824 N868 D872 | L783-R870 HydrophobicContact CD1-CB 4.15Å; E814-R870 HydrophobicContact CG-CB 4.44Å; E814-R870 IonicContact OE1-NH1 3.75Å; E814-R870 PolarHBondContact OE1-NH1 3.28Å; E814-R870 IonicContact OE2-CZ 2.74Å; E814-R870 IonicContact OE2-NH1 3.65Å; E814-R870 PolarHBondContact OE2-NH1 3.39Å; Y819-R870 VanDerWaalsContact CG-CZ 3.4Å; T821-R870 PolarHBondContact O-NH1 2.94Å; G823-R870 VanDerWaalsContact CA-NH1 3.28Å; K824-R870 CarbonylContact O-C 3.58Å; K824-R870 WeakPolarHBondContact O-CA 3.49Å; N868-R870 VanDerWaalsContact C-N 3.32Å; N868-R870 WeakPolarHBondContact OD1-CB 3.14Å; N868-R870 PolarHBondContact OD1-N 3.39Å; N868-R870 VanDerWaalsContact OD1-N 3.1Å; R870-D872 PolarHBondContact O-N 3.38Å |
| 871 | D | 76.5 | Confident | 65.4 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 36% | 0.358 | 54% | 0.538 | S | S | . | . | trans | -66.3 | 115.5 | 163.1 | -82.9 | -40.9 | 0 | 0 | 0 | 111.3 | K824 N826 P873 | K824-D871 PolarHBondContact O-N 3.12Å; N826-D871 WeakPolarHBondContact CA-OD1 3.35Å; N826-D871 VanDerWaalsContact CB-OD1 3.26Å; N826-D871 WeakPolarHBondContact CB-OD1 3.38Å; N826-D871 PolarHBondContact ND2-OD1 3.49Å; N826-D871 PolarHBondContact OD1-OD1 3.41Å; D871-P873 WeakPolarHBondContact O-CD 3.32Å | ||
| 872 | D | 64.9 | Low | 62.6 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | trans | -90.3 | 109.8 | 170.6 | -134.6 | -11 | 0 | 0 | 0 | 108.2 | R870 T874 | R870-D872 PolarHBondContact O-N 3.38Å; D872-T874 PolarHBondContact O-N 3.22Å | ||
| 873 | P | 52.8 | Low | 59.9 | Low | 110 Ų | 110 | 95.7 Ų | 95.7 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 9.1 | -168.5 | 30.6 | -37.1 | 0 | 0 | 0 | 114.3 | D871 | D871-P873 WeakPolarHBondContact O-CD 3.32Š|
| 874 | T | 43.5 | Very low | 57.9 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 4.2 | -167.5 | 54 | 0 | 0 | 0 | 0 | 114.4 | D872 | D872-T874 PolarHBondContact O-N 3.22Š|
| 875 | K | 43.7 | Very low | 55.2 | Low | 190 Ų | 190 | 102 Ų | 102 | 83% | 0.826 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -128.9 | 10 | -171.6 | -82.4 | -174.9 | 175 | 175 | 0 | 117.1 | ||
| 876 | S | 35.7 | Very low | 53.1 | Low | 114 Ų | 114 | 105.9 Ų | 105.9 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -115.3 | 19.8 | -176.2 | 50.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 877 | A | 36.6 | Very low | 50.3 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 88% | 0.876 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -146.6 | 91.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 878 | G | 37.3 | Very low | 47.6 | Very low | 87 Ų | 87 | 115 Ų | 115 | 90% | 0.897 | 69% | 0.689 | S | S | * | * | trans | 151.8 | 62.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 879 | A | 34 | Very low | 44.9 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -149 | 89.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 880 | Q | 34.4 | Very low | 42.3 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -142.4 | 149.2 | 155.8 | -112.8 | -178 | -12.6 | 0 | 0 | 108.3 | ||||
| 881 | E | 34.7 | Very low | 39.8 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -84.8 | 157.7 | -160.7 | -62 | 157 | 115.4 | 0 | 0 | 113.5 | ||||
| 882 | G | 28.6 | Very low | 37.6 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -179.1 | 45.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 883 | D | 30.6 | Very low | 36 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | 59.5 | 160 | 166.4 | -105.9 | -5.4 | 0 | 0 | 0 | 120.3 | ||||
| 884 | P | 45.8 | Very low | 34.9 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | trans | -113.1 | 151.8 | -178.5 | 39.9 | -30.1 | 0 | 0 | 0 | 115 | ||||
| 885 | D | 29.7 | Very low | 34.1 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -153.9 | 153.5 | 149.5 | -125 | -12.2 | 0 | 0 | 0 | 109.9 | ||||
| 886 | P | 44.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 151 Ų | 151 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | trans | -105.6 | 120.3 | -165.8 | 36.3 | -30.1 | 0 | 0 | 0 | 115.1 | ||||
| 887 | D | 31 | Very low | 32.9 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 178.9 | 125.4 | 132.8 | -103.1 | -23.7 | 0 | 0 | 0 | 111.2 | ||||
| 888 | D | 31.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | 178.6 | 163.5 | 105.9 | -162.2 | 6.9 | 0 | 0 | 0 | 110.4 | |||||
| 889 | N | 33.2 | Very low | 32 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | -83.6 | 130.6 | -179.5 | -73.9 | -93.4 | 0 | 0 | 0 | 112.6 | ||||
| 890 | R | 34.3 | Very low | 32.2 | Very low | 248 Ų | 248 | 157.4 Ų | 157.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | -170.4 | 129.7 | 114.9 | -104.6 | 155.3 | -179.3 | 176.5 | 1.6 | 114.9 | |||||
| 891 | S | 32 | Very low | 31.8 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -76 | 138.1 | 164.9 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 892 | M | 30.2 | Very low | 31.3 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -143.5 | 85.8 | 154.9 | -141.7 | 179 | -138.7 | 0 | 0 | 113.6 | R894 | M892-R894 HydrophobicContact CG-CG 4.36Š| ||
| 893 | K | 31.8 | Very low | 31.4 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 124.4 | 152.9 | -71.6 | -178.8 | 177.8 | 178.7 | 0 | 107.8 | ||||
| 894 | R | 29.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -130.3 | 95.6 | 161.1 | -87.3 | -171.1 | 171.2 | 172.4 | -1.3 | 111.4 | M892 | M892-R894 HydrophobicContact CG-CG 4.36Š| ||
| 895 | R | 27.4 | Very low | 30.3 | Very low | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -62.7 | 130.8 | 153.3 | -168.6 | -173.5 | -151.4 | 172.3 | 5.6 | 106.9 | ||||
| 896 | I | 32 | Very low | 30.2 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -107.5 | 127.6 | 169.7 | -60.8 | 179.2 | 0 | 0 | 0 | 107.2 | F898 | I896-F898 HydrophobicContact CG2-CD2 4.03Å; I896-F898 HydrophobicContact CG2-CE2 3.63Å; I896-F898 HydrophobicContact CG2-CZ 4.2Å | ||
| 897 | S | 22.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 157 Ų | 157 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 126.1 | 174.2 | 51.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 898 | F | 28.7 | Very low | 29.9 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -96.5 | 138.5 | 174.1 | -76.2 | -82.5 | 0 | 0 | 0 | 110.5 | I896 | I896-F898 HydrophobicContact CG2-CD2 4.03Å; I896-F898 HydrophobicContact CG2-CE2 3.63Å; I896-F898 HydrophobicContact CG2-CZ 4.2Å | ||
| 899 | T | 25.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 152 Ų | 152 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -132 | 124.2 | 160.9 | 47.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 900 | P | 38.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 154 Ų | 154 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -77.1 | 152.4 | 175.3 | 33.8 | -34.3 | 0 | 0 | 0 | 110 | ||||
| 901 | D | 24 | Very low | 29.7 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -154.7 | 176.8 | 156 | -135.5 | -36.2 | 0 | 0 | 0 | 112.6 | ||||
| 902 | T | 25.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -121.4 | 174.1 | -139 | -33.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 903 | H | 30.1 | Very low | 29.3 | Very low | 156 Ų | 156 | 150 Ų | 150 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 86.7 | 109.3 | 146.4 | -102.1 | -78.8 | 0 | 0 | 0 | 121.6 | ||||
| 904 | T | 26.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | 62.7 | 155.1 | 132.7 | 46.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 905 | D | 26.2 | Very low | 28.8 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | cis | -164.9 | 177.6 | 16.2 | -138.5 | -30.3 | 0 | 0 | 0 | 115.3 | ||||
| 906 | Y | 28.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | trans | 82.6 | 98.8 | 156.4 | -88.5 | -117.3 | 0 | 0 | 0 | 125.3 | ||||
| 907 | F | 27.9 | Very low | 28.4 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | 69.6 | 153.3 | 131.7 | -76.7 | -95.9 | 0 | 0 | 0 | 125.8 | ||||
| 908 | P | 42.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -122.5 | -147.1 | -165.3 | 38.4 | -14.2 | 0 | 0 | 0 | 111.8 | ||||
| 909 | P | 42.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | cis | -144.7 | -166.8 | 4.4 | 47.4 | -26.3 | 0 | 0 | 0 | 118.7 | ||||
| 910 | E | 26.1 | Very low | 29 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 152.4 | 157.4 | -73.3 | 163.6 | -170 | 0 | 0 | 118.6 | ||||
| 911 | E | 26 | Very low | 28.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | cis | -151.1 | 150.9 | 0.7 | -135.4 | -157.8 | 137.9 | 0 | 0 | 114.6 | ||||
| 912 | N | 25.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 139 Ų | 139 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | trans | 26.7 | 127.8 | 145.5 | -78 | -39.3 | 0 | 0 | 0 | 126.4 | ||||
| 913 | K | 27.9 | Very low | 29.2 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | 89.1 | 122.8 | 125.5 | -73.3 | -178.8 | 170.8 | -160.1 | 0 | 126.1 | |||||
| 914 | E | 23.5 | Very low | 29 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | 57.3 | 134.2 | 124.8 | -59.6 | 178.6 | 106.6 | 0 | 0 | 124.3 | |||||
| 915 | A | 25.5 | Very low | 29.4 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | trans | 70.2 | 153 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 916 | D | 25.3 | Very low | 29.7 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | cis | -171.7 | 164.1 | -20.5 | 179 | 26.4 | 0 | 0 | 0 | 107.2 | ||||
| 917 | K | 27.4 | Very low | 29.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 73% | 0.726 | 72% | 0.719 | S | S | * | * | trans | 70.9 | 155.5 | 166.4 | -64 | -175.7 | -175 | 141.8 | 0 | 119.2 | ||||
| 918 | D | 25.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | cis | -170.3 | -171.6 | -30.8 | -121 | -43.2 | 0 | 0 | 0 | 108.8 | ||||
| 919 | I | 31.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | 80.7 | 93.1 | 160.3 | -49.8 | -162 | 0 | 0 | 0 | 114.6 | ||||
| 920 | Q | 32.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | 73.4 | 154.3 | 85.9 | -72 | 173.3 | 31.4 | 0 | 0 | 114.1 | |||||
| 921 | N | 31.1 | Very low | 28.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | cis | -151.4 | 177.3 | -3.3 | -125.4 | -39.9 | 0 | 0 | 0 | 106.3 | ||||
| 922 | E | 27.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | cis | -143.3 | -178.9 | 13.2 | -95.7 | -136.5 | 161.9 | 0 | 0 | 107.3 | ||||
| 923 | R | 33.7 | Very low | 28 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 75% | 0.751 | 73% | 0.729 | S | S | * | * | cis | 159.4 | 134.8 | -21.4 | -171.3 | 177.1 | -161.7 | 174.1 | 6.6 | 105.8 | ||||
| 924 | G | 26.3 | Very low | 27.9 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | 169.9 | -177.5 | -10.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 925 | S | 33.7 | Very low | 27.9 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 60.5 | 134.9 | 146.8 | -71.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 926 | N | 33.6 | Very low | 27.9 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | cis | -147.4 | -172.8 | -4.6 | -76.2 | -34.9 | 0 | 0 | 0 | 107.2 | ||||
| 927 | S | 29.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -150.3 | 162.5 | 18.7 | -79.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 928 | C | 28.2 | Very low | 27.6 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | cis | 92.7 | 117.6 | 20.7 | -163.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 929 | L | 28 | Very low | 27.5 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -167.1 | 145.7 | -7.4 | -116.4 | -174 | 0 | 0 | 0 | 114.3 | ||||
| 930 | K | 27 | Very low | 27.1 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | 64.4 | 168.1 | 151 | -91.9 | 160.5 | -164.1 | 170.7 | 0 | 117.9 | ||||
| 931 | R | 23 | Very low | 26.8 | Very low | 221 Ų | 221 | 128.2 Ų | 128.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | cis | -159.8 | 151.5 | 30.7 | -154.8 | -169.7 | 178.3 | 137.9 | 1.9 | 116.6 | ||||
| 932 | C | 23 | Very low | 26.3 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 75.1 | 159.8 | 146.4 | -94.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 933 | S | 24.3 | Very low | 26.1 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 175.8 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 934 | V | 25.7 | Very low | 26 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 93 | 125.9 | 166.6 | -177.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 935 | A | 24.8 | Very low | 25.9 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 99.6 | 130.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 936 | L | 25.5 | Very low | 25.5 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | 69.9 | 136.1 | 148 | -70.9 | 159.4 | 0 | 0 | 0 | 121.7 | ||||
| 937 | G | 21.1 | Very low | 25 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 109 | 72.4 | 130 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 938 | S | 23.4 | Very low | 24.8 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 28.6 | 120.1 | 141.5 | 56.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 939 | S | 23.7 | Very low | 24.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | 87.1 | 130.3 | 129.3 | 69.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 940 | S | 23.6 | Very low | 24.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 92.6 | 126.7 | 145.7 | 76.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 941 | L | 25.5 | Very low | 24.5 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | 39.1 | 146 | 147.7 | -93.1 | 62 | 0 | 0 | 0 | 121.4 | ||||
| 942 | S | 21.1 | Very low | 24.6 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -159.7 | 173.8 | 16.6 | 44.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 943 | V | 23.6 | Very low | 24.7 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | -86.5 | 135.7 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | V945 | V943-V945 HydrophobicContact CG1-CG2 4.06Š| ||
| 944 | P | 31.3 | Very low | 24.8 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | -153.7 | 177.5 | 95.7 | 31.9 | -9 | 0 | 0 | 0 | 115.4 | |||||
| 945 | V | 24.1 | Very low | 24.8 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | cis | 166.5 | 138 | -25.4 | 146.1 | 0 | 0 | 0 | 0 | 107.2 | V943 | V943-V945 HydrophobicContact CG1-CG2 4.06Š| ||
| 946 | L | 26 | Very low | 24.9 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 158 | 166 | -104.8 | 69.6 | 0 | 0 | 0 | 119.2 | ||||
| 947 | D | 23 | Very low | 24.9 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -159.3 | 174.6 | -4.4 | -148.4 | -6.8 | 0 | 0 | 0 | 114.3 | ||||
| 948 | S | 25.6 | Very low | 24.9 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | 76.9 | 120 | 148 | -62.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 949 | D | 25.6 | Very low | 25 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | 47.9 | 158.3 | 119.6 | -69.2 | 5.2 | 0 | 0 | 0 | 122.5 | |||||
| 950 | L | 24.7 | Very low | 25.9 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -157.8 | -172.4 | 3.9 | -146.2 | 58.6 | 0 | 0 | 0 | 107.4 | ||||
| 951 | I | 26.9 | Very low | 25.8 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | cis | -156.1 | 168.5 | 5.6 | -18.8 | 155.6 | 0 | 0 | 0 | 108 | ||||
| 952 | V | 24.3 | Very low | 25.7 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | -171.9 | 153.7 | 127.9 | 141.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 953 | R | 25.5 | Very low | 25.7 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -111.5 | -165.1 | -176.8 | -51.5 | -177.6 | 165 | 105.8 | -7.1 | 112 | ||||
| 954 | D | 25.3 | Very low | 25.6 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -165.7 | 172.8 | 12.6 | -118.9 | -31.6 | 0 | 0 | 0 | 107.1 | ||||
| 955 | A | 25.7 | Very low | 25.1 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -167.5 | -162.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 956 | I | 26.7 | Very low | 25 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 97.3 | 137.3 | 157.8 | -53.8 | -179.8 | 0 | 0 | 0 | 117.8 | ||||
| 957 | D | 25.8 | Very low | 25 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -144.8 | 153.9 | -161.5 | 170.7 | 34.6 | 0 | 0 | 0 | 111.2 | ||||
| 958 | R | 22.4 | Very low | 24.9 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -172.8 | 151.9 | 163 | -111.5 | 166 | -163.2 | -153.1 | 3.2 | 117 | ||||
| 959 | K | 24.8 | Very low | 24.9 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -149.9 | 173.5 | 168 | -95.8 | 178.9 | 179.4 | 172.2 | 0 | 107.2 | ||||
| 960 | P | 43.5 | Very low | 24.7 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -136 | -171.4 | -2.8 | 33.1 | -9.5 | 0 | 0 | 0 | 115.8 | ||||
| 961 | S | 20.7 | Very low | 24.6 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 72.4 | 116.5 | 135.7 | 61.4 | 0 | 0 | 0 | 0 | 127 | ||||
| 962 | I | 23.6 | Very low | 24.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | 70.4 | 154.7 | 123.6 | -48.1 | 168.1 | 0 | 0 | 0 | 120.5 | |||||
| 963 | E | 20.6 | Very low | 24.3 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 74.7 | 116.7 | 179.2 | -48.2 | -166.3 | 166.8 | 0 | 0 | 114.9 | ||||
| 964 | E | 22.4 | Very low | 24.1 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | cis | 82.9 | 104.6 | 36.6 | -167.4 | 173.4 | -106.9 | 0 | 0 | 114.6 | ||||
| 965 | F | 20.6 | Very low | 24 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -162.6 | 166.2 | 140 | -128 | -90.4 | 0 | 0 | 0 | 111.8 | ||||
| 966 | T | 22 | Very low | 23.8 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -141.1 | 167.8 | -165 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 967 | G | 25.6 | Very low | 23.6 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 128.3 | 144.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 968 | F | 21.8 | Very low | 23.5 | Very low | 177 Ų | 177 | 148 Ų | 148 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -137.9 | 137.1 | 15.5 | -111.1 | -121.9 | 0 | 0 | 0 | 110.1 | ||||
| 969 | E | 23.7 | Very low | 23.5 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 69.5 | 143.4 | 108.7 | -68.5 | -156.1 | 148.6 | 0 | 0 | 117.7 | |||||
| 970 | V | 22.8 | Very low | 23.4 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | cis | -163.7 | 146.1 | -6.9 | 123 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 971 | D | 23.1 | Very low | 22.3 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | cis | -129.7 | -79.4 | -23.2 | 167.5 | 63 | 0 | 0 | 0 | 110.8 | T973 | D971-T973 PolarHBondContact OD2-N 2.85Š| ||
| 972 | M | 21.6 | Very low | 22.8 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | cis | -141.7 | 80.6 | -10 | -166.3 | 177 | -176.2 | 0 | 0 | 112.4 | ||||
| 973 | T | 22.7 | Very low | 22.7 | Very low | 111 Ų | 111 | 157.1 Ų | 157.1 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | trans | 67 | 147.7 | 164.4 | 72.3 | 0 | 0 | 0 | 0 | 119.8 | D971 | D971-T973 PolarHBondContact OD2-N 2.85Š| ||
| 974 | L | 21.3 | Very low | 22.7 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 63% | 0.634 | 77% | 0.774 | S | S | * | * | cis | 151.7 | 129.7 | -27.2 | -92.4 | 165.8 | 0 | 0 | 0 | 106.5 | ||||
| 975 | K | 21.9 | Very low | 22.8 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | cis | -164.2 | 175.4 | 35.8 | -84.7 | 125.2 | -175.9 | 172.6 | 0 | 110 | ||||
| 976 | M | 21.8 | Very low | 22.8 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | cis | -179 | 161.7 | -31 | -166.7 | 167.9 | -167.6 | 0 | 0 | 110.3 | ||||
| 977 | N | 22.1 | Very low | 22.9 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 75.2 | 125.2 | 175.1 | -67.6 | -30.5 | 0 | 0 | 0 | 118 | ||||
| 978 | V | 25.4 | Very low | 22.7 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | cis | 93.8 | 119.9 | 24.6 | 176.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 979 | R | 22.1 | Very low | 22.7 | Very low | 207 Ų | 207 | 151.9 Ų | 151.9 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | -176.4 | 133.5 | 101.2 | -140.1 | 134.9 | -159.3 | -149.1 | 6.4 | 118.7 | |||||
| 980 | K | 21.4 | Very low | 22.9 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 123.8 | 140.9 | -86.4 | -178.1 | -175.7 | -174.4 | 0 | 124.9 | ||||
| 981 | R | 21.8 | Very low | 22.9 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -56.4 | 158.3 | 140.8 | -84.5 | 179.6 | 175.4 | 178 | -0.6 | 112.3 | ||||
| 982 | P | 29.8 | Very low | 23 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | -151.7 | 161.7 | 79.8 | 41 | -21.3 | 0 | 0 | 0 | 120.1 | |||||
| 983 | R | 21.7 | Very low | 23 | Very low | 242 Ų | 242 | 153.3 Ų | 153.3 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -15.9 | 136.7 | 160.8 | -63.4 | 168.6 | 169.2 | 157.5 | -6.2 | 118.6 | ||||
| 984 | K | 20.4 | Very low | 23.2 | Very low | 209 Ų | 209 | 151.6 Ų | 151.6 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | -155.7 | 158.8 | 106.4 | -113.3 | -178.1 | -179.1 | -176 | 0 | 111.8 | |||||
| 985 | V | 25 | Very low | 23.4 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -91.8 | 144.2 | 168.9 | 171.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 986 | T | 20.3 | Very low | 23.4 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -169.9 | 117.8 | 140 | -80.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 987 | I | 23.9 | Very low | 23.5 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 24.4 | 147 | 133.3 | -45.9 | 172.3 | 0 | 0 | 0 | 120.1 | ||||
| 988 | S | 21.9 | Very low | 23.6 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 87.4 | 159.1 | 157.8 | -117.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 989 | C | 22 | Very low | 23.4 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 69% | 0.689 | 80% | 0.799 | S | S | * | * | cis | -179.1 | 150.7 | -44.3 | -169.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 990 | C | 26.8 | Very low | 23.4 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | 61.7 | 133.2 | -178.6 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 991 | F | 24.2 | Very low | 23.6 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | cis | 65.1 | 67.9 | 32.5 | -148 | -73.9 | 0 | 0 | 0 | 113.2 | ||||
| 992 | L | 24.6 | Very low | 23.6 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -176.5 | 95.6 | 136.6 | -103.2 | 159.9 | 0 | 0 | 0 | 110.9 | ||||
| 993 | E | 22.5 | Very low | 23.4 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | -169.1 | -176.1 | 123.4 | -116.6 | -167.5 | 102 | 0 | 0 | 113 | Y1031 | E993-Y1031 WeakPolarHBondContact OE2-CE2 3.44Å; E993-Y1031 PolarHBondContact OE2-OH 3.44Å | |||
| 994 | A | 25.9 | Very low | 23.4 | Very low | 75 Ų | 75 | 146.7 Ų | 146.7 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | 67.9 | 60.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | C996 | A994-C996 HydrophobicContact CB-CB 4.09Å; A994-C996 PolarHBondContact O-N 3.33Å | ||
| 995 | M | 24.8 | Very low | 23.6 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 98% | 0.98 | 78% | 0.776 | S | S | * | * | trans | -70 | 58 | 130.4 | -115.6 | -68 | -76.9 | 0 | 0 | 109.4 | ||||
| 996 | C | 22.8 | Very low | 23.5 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -129.9 | 68.3 | -177.2 | -161 | 0 | 0 | 0 | 0 | 109 | A994 | A994-C996 HydrophobicContact CB-CB 4.09Å; A994-C996 PolarHBondContact O-N 3.33Å | ||
| 997 | K | 24.6 | Very low | 23.7 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -98.2 | 126.4 | 172.1 | -118.5 | 179.9 | -176.4 | 176.2 | 0 | 109.6 | ||||
| 998 | F | 23.2 | Very low | 23.7 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 73.2 | 83.9 | 140 | -153.4 | -91.8 | 0 | 0 | 0 | 117.6 | ||||
| 999 | S | 21.4 | Very low | 23.7 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -150.4 | 94.2 | 134.2 | -165.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1000 | S | 22.5 | Very low | 23.8 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -158.4 | 127.8 | 147.5 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1001 | T | 25 | Very low | 23.6 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -90.1 | 158.3 | -172.1 | 40.4 | 0 | 0 | 0 | 0 | 112.9 | T1003 | T1001-T1003 PolarHBondContact O-N 2.93Š| ||
| 1002 | H | 23.2 | Very low | 23.6 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -67.6 | 117.3 | 177.1 | -117.3 | -39.1 | 0 | 0 | 0 | 112.6 | ||||
| 1003 | T | 24.2 | Very low | 24.4 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -160.3 | 112.9 | 142.2 | 30.7 | 0 | 0 | 0 | 0 | 106.4 | T1001 | T1001-T1003 PolarHBondContact O-N 2.93Š| ||
| 1004 | R | 23.2 | Very low | 24.4 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | cis | 84.2 | 118.7 | 42.2 | -172.9 | 169.1 | -178.5 | 171.8 | 2 | 114.1 | ||||
| 1005 | N | 22.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | trans | 90.4 | 131.7 | 164.2 | -76.2 | 14.5 | 0 | 0 | 0 | 120.2 | ||||
| 1006 | Q | 23.9 | Very low | 24.5 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 68.4 | 109.6 | 141.7 | -74.3 | 162.4 | -39.4 | 0 | 0 | 117.8 | ||||
| 1007 | S | 23.5 | Very low | 24.6 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 77 | 137.7 | 71.8 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1008 | E | 24.3 | Very low | 24.5 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -160.4 | 175.9 | 15.9 | -144.9 | -174.5 | -154.7 | 0 | 0 | 112.9 | ||||
| 1009 | N | 23.5 | Very low | 24.5 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | trans | 57 | 91.3 | 152.3 | -86.5 | -52.5 | 0 | 0 | 0 | 123 | ||||
| 1010 | R | 22.3 | Very low | 24.7 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | 63.2 | 99.7 | 100.7 | -167.3 | -170.4 | -152.9 | -148.7 | 9.3 | 121 | |||||
| 1011 | K | 23.9 | Very low | 24.8 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | 68.1 | 152.4 | 140.1 | -60.7 | -179 | 175.3 | -168.3 | 0 | 116.9 | ||||
| 1012 | Q | 23.3 | Very low | 25.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -170.1 | -172.4 | -1 | -118.5 | 173.6 | -41.1 | 0 | 0 | 107.2 | ||||
| 1013 | P | 40.8 | Very low | 25.4 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -135.9 | 167.1 | -13.7 | 37.7 | -19.1 | 0 | 0 | 0 | 116.9 | ||||
| 1014 | R | 23.9 | Very low | 25.9 | Very low | 222 Ų | 222 | 147.3 Ų | 147.3 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 55.3 | 124.9 | 139.1 | -80.6 | -175.3 | 164.2 | -179.6 | -3.5 | 124.1 | ||||
| 1015 | I | 23.9 | Very low | 26.2 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 98.7 | 114.4 | 128.9 | -69.9 | 168.7 | 0 | 0 | 0 | 119.8 | |||||
| 1016 | S | 28.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 8.6 | 130.6 | 159.8 | 62.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 1017 | L | 24.6 | Very low | 27.2 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -143.1 | 113.3 | 150 | -157.9 | 67.2 | 0 | 0 | 0 | 106.5 | ||||
| 1018 | I | 23.1 | Very low | 28 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | 60 | 77.9 | 86.3 | -55.1 | -179.6 | 0 | 0 | 0 | 113.4 | |||||
| 1019 | T | 23 | Very low | 29.2 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | 35.6 | 135.3 | 122.6 | 49 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1020 | W | 24.6 | Very low | 30.7 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 96% | 0.955 | 78% | 0.778 | S | S | * | * | trans | 81.1 | 127.1 | 157 | -66.3 | 24.6 | 0 | 0 | 0 | 116.7 | ||||
| 1021 | G | 25 | Very low | 32.1 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -177.9 | -171.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1022 | A | 35.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 70.4 | 92.3 | 178 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1023 | K | 26.4 | Very low | 36.2 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | -163.9 | 175.1 | 138.9 | -112.7 | 166.8 | -172.8 | -179.9 | 0 | 111.9 | ||||
| 1024 | S | 35 | Very low | 37.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -70.5 | 143.6 | 177.1 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1025 | E | 29.2 | Very low | 39.8 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -133.2 | 128.7 | 166 | -68.7 | -175.6 | 149.1 | 0 | 0 | 109.7 | ||||
| 1026 | D | 33.3 | Very low | 42.2 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | trans | -77.7 | 148.1 | 162 | -62 | -75.4 | 0 | 0 | 0 | 109 | ||||
| 1027 | C | 33.9 | Very low | 44.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | -105.6 | 103 | -179.7 | -155.4 | 0 | 0 | 0 | 0 | 110.4 | I1029 | C1027-I1029 PolarHBondContact O-N 2.79Š| ||
| 1028 | E | 40.8 | Very low | 46.7 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | trans | -61.6 | 122.7 | 172.5 | -69.8 | -173.1 | 116.3 | 0 | 0 | 110.4 | T1030 | E1028-T1030 PolarHBondContact O-N 3.31Å; E1028-T1030 VanDerWaalsContact O-N 3.08Å | ||
| 1029 | I | 48.9 | Very low | 49.2 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | trans | -78.9 | 96.8 | 174.4 | -58 | 179 | 0 | 0 | 0 | 108.2 | C1027 Y1031 E1033 V1034 | C1027-I1029 PolarHBondContact O-N 2.79Å; I1029-Y1031 PolarHBondContact O-N 3.3Å; I1029-E1033 HydrophobicContact CG2-CB 4.09Å; I1029-E1033 HydrophobicContact CG2-CG 3.98Å; I1029-V1034 HydrophobicContact CG2-CG2 3.96Å | ||
| 1030 | T | 54.8 | Low | 51.8 | Low | 109 Ų | 109 | 121.5 Ų | 121.5 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | trans | -53.7 | 137.1 | 176.5 | -44.3 | 0 | 0 | 0 | 0 | 111.2 | E1028 G1032 E1033 | E1028-T1030 PolarHBondContact O-N 3.31Å; E1028-T1030 VanDerWaalsContact O-N 3.08Å; T1030-G1032 PolarHBondContact O-N 3.42Å; T1030-E1033 WeakPolarHBondContact O-CB 3.43Å; T1030-E1033 PolarHBondContact O-N 3.4Å | ||
| 1031 | Y | 52.4 | Low | 54.3 | Low | 126 Ų | 126 | 115 Ų | 115 | 49% | 0.494 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -42.5 | -41.4 | -179.6 | -178.9 | -96.4 | 0 | 0 | 0 | 114.7 | E993 I1029 E1033 V1034 E1035 | E993-Y1031 WeakPolarHBondContact OE2-CE2 3.44Å; E993-Y1031 PolarHBondContact OE2-OH 3.44Å; I1029-Y1031 PolarHBondContact O-N 3.3Å; Y1031-E1033 VanDerWaalsContact C-N 3.33Å; Y1031-E1033 PolarHBondContact O-N 2.96Å; Y1031-V1034 WeakPolarHBondContact O-CA 3.3Å; Y1031-V1034 WeakPolarHBondContact O-CB 3.19Å; Y1031-V1034 PolarHBondContact O-N 3.19Å; Y1031-E1035 HydrophobicContact CD1-CG 4.16Å; Y1031-E1035 VanDerWaalsContact CE1-CD 3.4Å; Y1031-E1035 HydrophobicContact CE1-CG 3.9Å; Y1031-E1035 WeakPolarHBondContact CE1-OE1 3.41Å; Y1031-E1035 PolarHBondContact O-N 2.88Å |
| 1032 | G | 65.2 | Low | 56.7 | Low | 37 Ų | 37 | 116.6 Ų | 116.6 | 38% | 0.381 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.9 | -24.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1030 V1034 H1036 | T1030-G1032 PolarHBondContact O-N 3.42Å; G1032-V1034 VanDerWaalsContact C-N 3.35Å; G1032-H1036 WeakPolarHBondContact O-CB 3.45Å; G1032-H1036 PolarHBondContact O-N 2.94Å |
| 1033 | E | 67.3 | Low | 59.1 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.6 | -32.1 | 169.2 | 174.2 | 64.3 | -176 | 0 | 0 | 110.3 | I1029 T1030 Y1031 H1036 R1037 | I1029-E1033 HydrophobicContact CG2-CB 4.09Å; I1029-E1033 HydrophobicContact CG2-CG 3.98Å; T1030-E1033 WeakPolarHBondContact O-CB 3.43Å; T1030-E1033 PolarHBondContact O-N 3.4Å; Y1031-E1033 VanDerWaalsContact C-N 3.33Å; Y1031-E1033 PolarHBondContact O-N 2.96Å; E1033-H1036 PolarHBondContact O-N 3.42Å; E1033-H1036 IonicContact OE2-ND1 2.74Å; E1033-H1036 PolarHBondContact OE2-ND1 3.35Å; E1033-R1037 HydrophobicContact CG-CG 4.47Å; E1033-R1037 WeakPolarHBondContact O-CB 3.29Å; E1033-R1037 WeakPolarHBondContact O-CG 3.32Å; E1033-R1037 PolarHBondContact O-N 3.09Å; E1033-R1037 IonicContact OE1-CZ 2.72Å; E1033-R1037 IonicContact OE1-NE 3.65Å; E1033-R1037 PolarHBondContact OE1-NE 3.01Å; E1033-R1037 IonicContact OE1-NH2 2.77Å; E1033-R1037 PolarHBondContact OE1-NH2 2.93Å |
| 1034 | V | 70.9 | Confident | 61.6 | Low | 78 Ų | 78 | 112.7 Ų | 112.7 | 47% | 0.473 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69 | -45.7 | 173.7 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | I1029 Y1031 G1032 H1036 R1037 L1038 | I1029-V1034 HydrophobicContact CG2-CG2 3.96Å; Y1031-V1034 WeakPolarHBondContact O-CA 3.3Å; Y1031-V1034 WeakPolarHBondContact O-CB 3.19Å; Y1031-V1034 PolarHBondContact O-N 3.19Å; G1032-V1034 VanDerWaalsContact C-N 3.35Å; V1034-H1036 VanDerWaalsContact C-N 3.33Å; V1034-H1036 PolarHBondContact O-N 2.96Å; V1034-R1037 PolarHBondContact O-N 3.49Å; V1034-L1038 WeakPolarHBondContact O-CB 3.09Å; V1034-L1038 PolarHBondContact O-N 3.48Å |
| 1035 | E | 70 | Confident | 63.5 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.4 | -43.7 | 172.6 | -69.1 | -176.6 | 129.9 | 0 | 0 | 111.6 | Y1031 L1038 G1039 | Y1031-E1035 HydrophobicContact CD1-CG 4.16Å; Y1031-E1035 VanDerWaalsContact CE1-CD 3.4Å; Y1031-E1035 HydrophobicContact CE1-CG 3.9Å; Y1031-E1035 WeakPolarHBondContact CE1-OE1 3.41Å; Y1031-E1035 PolarHBondContact O-N 2.88Å; E1035-L1038 PolarHBondContact O-N 3.39Å; E1035-G1039 PolarHBondContact O-N 3.03Å |
| 1036 | H | 75.3 | Confident | 65.8 | Low | 102 Ų | 102 | 107 Ų | 107 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 177 | 177 | -128.8 | 0 | 0 | 0 | 112.2 | G1032 E1033 V1034 G1039 Q1040 | G1032-H1036 WeakPolarHBondContact O-CB 3.45Å; G1032-H1036 PolarHBondContact O-N 2.94Å; E1033-H1036 PolarHBondContact O-N 3.42Å; E1033-H1036 IonicContact OE2-ND1 2.74Å; E1033-H1036 PolarHBondContact OE2-ND1 3.35Å; V1034-H1036 VanDerWaalsContact C-N 3.33Å; V1034-H1036 PolarHBondContact O-N 2.96Å; H1036-G1039 PolarHBondContact O-N 2.96Å; H1036-Q1040 PolarHBondContact CE1-NE2 2.96Å; H1036-Q1040 PolarHBondContact NE2-NE2 3.02Å; H1036-Q1040 VanDerWaalsContact NE2-NE2 3.17Å; H1036-Q1040 WeakPolarHBondContact O-CG 3.32Å; H1036-Q1040 PolarHBondContact O-N 2.84Å |
| 1037 | R | 76.3 | Confident | 68.1 | Low | 150 Ų | 150 | 106.2 Ų | 106.2 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 173.3 | -69.2 | -76.7 | 174.4 | 146.7 | 6.8 | 111.9 | E1033 V1034 Q1040 L1041 | E1033-R1037 HydrophobicContact CG-CG 4.47Å; E1033-R1037 WeakPolarHBondContact O-CB 3.29Å; E1033-R1037 WeakPolarHBondContact O-CG 3.32Å; E1033-R1037 PolarHBondContact O-N 3.09Å; E1033-R1037 IonicContact OE1-CZ 2.72Å; E1033-R1037 IonicContact OE1-NE 3.65Å; E1033-R1037 PolarHBondContact OE1-NE 3.01Å; E1033-R1037 IonicContact OE1-NH2 2.77Å; E1033-R1037 PolarHBondContact OE1-NH2 2.93Å; V1034-R1037 PolarHBondContact O-N 3.49Å; R1037-Q1040 PolarHBondContact O-N 3.41Å; R1037-L1041 WeakPolarHBondContact O-CB 3.24Å; R1037-L1041 PolarHBondContact O-N 3.24Å |
| 1038 | L | 71 | Confident | 70.3 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -41.9 | 177.2 | -152.7 | 81.2 | 0 | 0 | 0 | 111.1 | V1034 E1035 L1041 Q1042 | V1034-L1038 WeakPolarHBondContact O-CB 3.09Å; V1034-L1038 PolarHBondContact O-N 3.48Å; E1035-L1038 PolarHBondContact O-N 3.39Å; L1038-L1041 PolarHBondContact O-N 3.06Å; L1038-Q1042 PolarHBondContact O-N 3.41Å |
| 1039 | G | 75.6 | Confident | 72.2 | Confident | 42 Ų | 42 | 102.8 Ų | 102.8 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1035 H1036 L1041 Q1042 E1043 | E1035-G1039 PolarHBondContact O-N 3.03Å; H1036-G1039 PolarHBondContact O-N 2.96Å; G1039-L1041 VanDerWaalsContact C-N 3.33Å; G1039-L1041 PolarHBondContact O-N 3.09Å; G1039-Q1042 PolarHBondContact O-N 3.41Å; G1039-E1043 PolarHBondContact O-N 2.76Å |
| 1040 | Q | 77.8 | Confident | 73.7 | Confident | 78 Ų | 78 | 99.8 Ų | 99.8 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 171.9 | -74 | -179.4 | -2 | 0 | 0 | 111.7 | H1036 R1037 Q1042 E1043 H1044 | H1036-Q1040 PolarHBondContact CE1-NE2 2.96Å; H1036-Q1040 PolarHBondContact NE2-NE2 3.02Å; H1036-Q1040 VanDerWaalsContact NE2-NE2 3.17Å; H1036-Q1040 WeakPolarHBondContact O-CG 3.32Å; H1036-Q1040 PolarHBondContact O-N 2.84Å; R1037-Q1040 PolarHBondContact O-N 3.41Å; Q1040-Q1042 PolarHBondContact O-N 3.03Å; Q1040-E1043 PolarHBondContact O-N 3.13Å; Q1040-H1044 WeakPolarHBondContact O-CB 3.35Å; Q1040-H1044 PolarHBondContact O-CD2 2.92Å; Q1040-H1044 PolarHBondContact O-N 2.9Å |
| 1041 | L | 76.3 | Confident | 74.8 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 178.8 | -133.5 | 130.7 | 0 | 0 | 0 | 111.8 | R1037 L1038 G1039 H1044 L1045 | R1037-L1041 WeakPolarHBondContact O-CB 3.24Å; R1037-L1041 PolarHBondContact O-N 3.24Å; L1038-L1041 PolarHBondContact O-N 3.06Å; G1039-L1041 VanDerWaalsContact C-N 3.33Å; G1039-L1041 PolarHBondContact O-N 3.09Å; L1041-H1044 PolarHBondContact O-N 2.89Å; L1041-L1045 WeakPolarHBondContact O-CB 3.34Å; L1041-L1045 PolarHBondContact O-N 2.99Å |
| 1042 | Q | 75.6 | Confident | 75.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 173.3 | -171.3 | 64.3 | 60.5 | 0 | 0 | 112 | L1038 G1039 Q1040 L1045 N1046 | L1038-Q1042 PolarHBondContact O-N 3.41Å; G1039-Q1042 PolarHBondContact O-N 3.41Å; Q1040-Q1042 PolarHBondContact O-N 3.03Å; Q1042-L1045 PolarHBondContact O-N 3.02Å; Q1042-N1046 PolarHBondContact NE2-OD1 3.27Å; Q1042-N1046 WeakPolarHBondContact O-CB 3.11Å; Q1042-N1046 PolarHBondContact O-N 3.16Å; Q1042-N1046 PolarHBondContact O-OD1 2.7Å; Q1042-N1046 VanDerWaalsContact O-OD1 3.13Å |
| 1043 | E | 84.3 | Confident | 76.5 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.3 | -160.8 | -167.2 | 142.7 | 0 | 0 | 111.2 | G1039 Q1040 L1045 N1046 R1047 | G1039-E1043 PolarHBondContact O-N 2.76Å; Q1040-E1043 PolarHBondContact O-N 3.13Å; E1043-L1045 VanDerWaalsContact C-N 3.33Å; E1043-L1045 PolarHBondContact O-N 3.17Å; E1043-N1046 PolarHBondContact O-N 2.84Å; E1043-R1047 WeakPolarHBondContact O-CB 3.28Å; E1043-R1047 VanDerWaalsContact O-CG 3.28Å; E1043-R1047 WeakPolarHBondContact O-CG 3.44Å; E1043-R1047 PolarHBondContact O-N 3.2Å; E1043-R1047 IonicContact OE1-CZ 2.71Å; E1043-R1047 IonicContact OE1-NE 3.89Å; E1043-R1047 PolarHBondContact OE1-NE 3.48Å; E1043-R1047 IonicContact OE1-NH2 3.93Å; E1043-R1047 PolarHBondContact OE1-NH2 2.71Å |
| 1044 | H | 79.5 | Confident | 77.2 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 172.2 | -86.5 | -72.2 | 0 | 0 | 0 | 112.1 | Q1040 L1041 L1048 | Q1040-H1044 WeakPolarHBondContact O-CB 3.35Å; Q1040-H1044 PolarHBondContact O-CD2 2.92Å; Q1040-H1044 PolarHBondContact O-N 2.9Å; L1041-H1044 PolarHBondContact O-N 2.89Å; H1044-L1048 VanDerWaalsContact O-CB 3.31Å; H1044-L1048 WeakPolarHBondContact O-CB 3.18Å; H1044-L1048 PolarHBondContact O-N 2.87Å |
| 1045 | L | 75.9 | Confident | 77.5 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 174.6 | -112.8 | 164.5 | 0 | 0 | 0 | 111.8 | L1041 Q1042 E1043 R1047 L1048 E1049 | L1041-L1045 WeakPolarHBondContact O-CB 3.34Å; L1041-L1045 PolarHBondContact O-N 2.99Å; Q1042-L1045 PolarHBondContact O-N 3.02Å; E1043-L1045 VanDerWaalsContact C-N 3.33Å; E1043-L1045 PolarHBondContact O-N 3.17Å; L1045-R1047 VanDerWaalsContact C-N 3.33Å; L1045-R1047 PolarHBondContact O-N 3.4Å; L1045-L1048 PolarHBondContact O-N 3.26Å; L1045-E1049 WeakPolarHBondContact O-CB 3.24Å; L1045-E1049 PolarHBondContact O-N 2.94Å |
| 1046 | N | 76.3 | Confident | 78.2 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 178.8 | -65.4 | 1.2 | 0 | 0 | 0 | 111.7 | Q1042 E1043 S1050 | Q1042-N1046 PolarHBondContact NE2-OD1 3.27Å; Q1042-N1046 WeakPolarHBondContact O-CB 3.11Å; Q1042-N1046 PolarHBondContact O-N 3.16Å; Q1042-N1046 PolarHBondContact O-OD1 2.7Å; Q1042-N1046 VanDerWaalsContact O-OD1 3.13Å; E1043-N1046 PolarHBondContact O-N 2.84Å; N1046-S1050 WeakPolarHBondContact O-CB 3.17Å; N1046-S1050 PolarHBondContact O-N 3.48Å; N1046-S1050 PolarHBondContact O-OG 3.1Å |
| 1047 | R | 82 | Confident | 78.3 | Confident | 148 Ų | 148 | 100.8 Ų | 100.8 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -46.2 | 173.2 | -76.2 | 176.2 | -178 | -132.1 | 9.2 | 110.9 | E1043 L1045 S1050 H1051 | E1043-R1047 WeakPolarHBondContact O-CB 3.28Å; E1043-R1047 VanDerWaalsContact O-CG 3.28Å; E1043-R1047 WeakPolarHBondContact O-CG 3.44Å; E1043-R1047 PolarHBondContact O-N 3.2Å; E1043-R1047 IonicContact OE1-CZ 2.71Å; E1043-R1047 IonicContact OE1-NE 3.89Å; E1043-R1047 PolarHBondContact OE1-NE 3.48Å; E1043-R1047 IonicContact OE1-NH2 3.93Å; E1043-R1047 PolarHBondContact OE1-NH2 2.71Å; L1045-R1047 VanDerWaalsContact C-N 3.33Å; L1045-R1047 PolarHBondContact O-N 3.4Å; R1047-S1050 PolarHBondContact O-N 3.02Å; R1047-S1050 PolarHBondContact O-OG 2.89Å; R1047-H1051 PolarHBondContact O-CD2 2.92Å; R1047-H1051 PolarHBondContact O-N 3.01Å |
| 1048 | L | 80.2 | Confident | 78.4 | Confident | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | -180 | -155.8 | 161.4 | 0 | 0 | 0 | 111.4 | H1044 L1045 H1051 L1052 | H1044-L1048 VanDerWaalsContact O-CB 3.31Å; H1044-L1048 WeakPolarHBondContact O-CB 3.18Å; H1044-L1048 PolarHBondContact O-N 2.87Å; L1045-L1048 PolarHBondContact O-N 3.26Å; L1048-H1051 PolarHBondContact O-N 3.5Å; L1048-L1052 VanDerWaalsContact O-CB 3.31Å; L1048-L1052 WeakPolarHBondContact O-CB 3.3Å; L1048-L1052 PolarHBondContact O-N 3.26Å |
| 1049 | E | 80.9 | Confident | 78.7 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -46.5 | 171.1 | -176 | 175.4 | -164.7 | 0 | 0 | 111.6 | L1045 H1051 L1052 I1053 | L1045-E1049 WeakPolarHBondContact O-CB 3.24Å; L1045-E1049 PolarHBondContact O-N 2.94Å; E1049-H1051 PolarHBondContact O-N 3.45Å; E1049-L1052 PolarHBondContact O-N 3.42Å; E1049-I1053 HydrophobicContact CG-CD1 3.95Å; E1049-I1053 VanDerWaalsContact O-CG1 3.3Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.26Å; E1049-I1053 PolarHBondContact O-N 3.05Å |
| 1050 | S | 79.8 | Confident | 78.4 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 177.7 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | N1046 R1047 S1054 | N1046-S1050 WeakPolarHBondContact O-CB 3.17Å; N1046-S1050 PolarHBondContact O-N 3.48Å; N1046-S1050 PolarHBondContact O-OG 3.1Å; R1047-S1050 PolarHBondContact O-N 3.02Å; R1047-S1050 PolarHBondContact O-OG 2.89Å; S1050-S1054 WeakPolarHBondContact O-CB 3.39Å; S1050-S1054 PolarHBondContact O-N 3.38Å |
| 1051 | H | 78.3 | Confident | 78 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -47.8 | 171.8 | -95.9 | -84 | 0 | 0 | 0 | 111.3 | R1047 L1048 E1049 I1053 S1054 D1055 | R1047-H1051 PolarHBondContact O-CD2 2.92Å; R1047-H1051 PolarHBondContact O-N 3.01Å; L1048-H1051 PolarHBondContact O-N 3.5Å; E1049-H1051 PolarHBondContact O-N 3.45Å; H1051-I1053 VanDerWaalsContact C-N 3.3Å; H1051-I1053 PolarHBondContact O-N 3.48Å; H1051-S1054 CarbonylContact O-C 3.55Å; H1051-S1054 WeakPolarHBondContact O-CA 3.38Å; H1051-S1054 WeakPolarHBondContact O-CB 3.18Å; H1051-S1054 PolarHBondContact O-N 3.19Å; H1051-D1055 WeakPolarHBondContact O-CB 3.33Å; H1051-D1055 VanDerWaalsContact O-CG 3.25Å; H1051-D1055 PolarHBondContact O-N 2.86Å |
| 1052 | L | 69.9 | Low | 77.4 | Confident | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | -178.8 | -168.1 | 150.9 | 0 | 0 | 0 | 111.8 | L1048 E1049 I1056 | L1048-L1052 VanDerWaalsContact O-CB 3.31Å; L1048-L1052 WeakPolarHBondContact O-CB 3.3Å; L1048-L1052 PolarHBondContact O-N 3.26Å; E1049-L1052 PolarHBondContact O-N 3.42Å; L1052-I1056 HydrophobicContact CD2-CD1 3.61Å; L1052-I1056 HydrophobicContact CD2-CG1 4.41Å; L1052-I1056 WeakPolarHBondContact O-CB 3.45Å; L1052-I1056 VanDerWaalsContact O-CG1 3.28Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.28Å; L1052-I1056 PolarHBondContact O-N 2.74Å |
| 1053 | I | 84.4 | Confident | 76.5 | Confident | 80 Ų | 80 | 101.5 Ų | 101.5 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 171.1 | -68.5 | 166.8 | 0 | 0 | 0 | 111.2 | E1049 H1051 I1056 Q1057 | E1049-I1053 HydrophobicContact CG-CD1 3.95Å; E1049-I1053 VanDerWaalsContact O-CG1 3.3Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.26Å; E1049-I1053 PolarHBondContact O-N 3.05Å; H1051-I1053 VanDerWaalsContact C-N 3.3Å; H1051-I1053 PolarHBondContact O-N 3.48Å; I1053-I1056 PolarHBondContact O-N 3.23Å; I1053-Q1057 WeakPolarHBondContact O-CB 3.29Å; I1053-Q1057 WeakPolarHBondContact O-CG 3.25Å; I1053-Q1057 PolarHBondContact O-N 2.92Å |
| 1054 | S | 80.1 | Confident | 75.4 | Confident | 58 Ų | 58 | 104.8 Ų | 104.8 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | S1050 H1051 Q1057 T1058 | S1050-S1054 WeakPolarHBondContact O-CB 3.39Å; S1050-S1054 PolarHBondContact O-N 3.38Å; H1051-S1054 CarbonylContact O-C 3.55Å; H1051-S1054 WeakPolarHBondContact O-CA 3.38Å; H1051-S1054 WeakPolarHBondContact O-CB 3.18Å; H1051-S1054 PolarHBondContact O-N 3.19Å; S1054-Q1057 PolarHBondContact O-N 2.95Å; S1054-T1058 PolarHBondContact O-N 3.36Å; S1054-T1058 PolarHBondContact O-OG1 2.59Å |
| 1055 | D | 79.1 | Confident | 74 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177 | -68.2 | -14.1 | 0 | 0 | 0 | 110.5 | H1051 Q1057 T1058 I1059 | H1051-D1055 WeakPolarHBondContact O-CB 3.33Å; H1051-D1055 VanDerWaalsContact O-CG 3.25Å; H1051-D1055 PolarHBondContact O-N 2.86Å; D1055-Q1057 PolarHBondContact O-N 2.91Å; D1055-T1058 WeakPolarHBondContact CA-OG1 3.22Å; D1055-T1058 PolarHBondContact O-N 2.77Å; D1055-T1058 PolarHBondContact O-OG1 2.57Å; D1055-T1058 VanDerWaalsContact O-OG1 3.07Å; D1055-I1059 WeakPolarHBondContact O-CB 3.31Å; D1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; D1055-I1059 WeakPolarHBondContact O-CG1 3.19Å; D1055-I1059 PolarHBondContact O-N 3.37Å |
| 1056 | I | 83.1 | Confident | 72.4 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 172 | -74.3 | 173.8 | 0 | 0 | 0 | 111.5 | L1052 I1053 I1059 L1060 | L1052-I1056 HydrophobicContact CD2-CD1 3.61Å; L1052-I1056 HydrophobicContact CD2-CG1 4.41Å; L1052-I1056 WeakPolarHBondContact O-CB 3.45Å; L1052-I1056 VanDerWaalsContact O-CG1 3.28Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.28Å; L1052-I1056 PolarHBondContact O-N 2.74Å; I1053-I1056 PolarHBondContact O-N 3.23Å; I1056-I1059 PolarHBondContact O-N 3.48Å; I1056-L1060 HydrophobicContact CG2-CD1 3.91Å; I1056-L1060 WeakPolarHBondContact O-CB 3.21Å; I1056-L1060 WeakPolarHBondContact O-CG 3.41Å; I1056-L1060 PolarHBondContact O-N 3.49Å |
| 1057 | Q | 78.9 | Confident | 70.7 | Confident | 124 Ų | 124 | 112 Ų | 112 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.3 | -40.2 | 178.2 | -75.7 | -179.4 | 7.3 | 0 | 0 | 112.4 | I1053 S1054 D1055 L1060 Q1061 | I1053-Q1057 WeakPolarHBondContact O-CB 3.29Å; I1053-Q1057 WeakPolarHBondContact O-CG 3.25Å; I1053-Q1057 PolarHBondContact O-N 2.92Å; S1054-Q1057 PolarHBondContact O-N 2.95Å; D1055-Q1057 PolarHBondContact O-N 2.91Å; Q1057-L1060 PolarHBondContact O-N 3.08Å; Q1057-Q1061 VanDerWaalsContact O-CB 3.3Å; Q1057-Q1061 WeakPolarHBondContact O-CB 3.24Å; Q1057-Q1061 PolarHBondContact O-N 2.88Å |
| 1058 | T | 76.9 | Confident | 68.6 | Low | 65 Ų | 65 | 111 Ų | 111 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.8 | -35.4 | 174.5 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | S1054 D1055 Q1061 M1062 | S1054-T1058 PolarHBondContact O-N 3.36Å; S1054-T1058 PolarHBondContact O-OG1 2.59Å; D1055-T1058 WeakPolarHBondContact CA-OG1 3.22Å; D1055-T1058 PolarHBondContact O-N 2.77Å; D1055-T1058 PolarHBondContact O-OG1 2.57Å; D1055-T1058 VanDerWaalsContact O-OG1 3.07Å; T1058-Q1061 PolarHBondContact O-N 3.4Å; T1058-M1062 WeakPolarHBondContact O-CB 3.46Å; T1058-M1062 WeakPolarHBondContact O-CG 3.46Å; T1058-M1062 PolarHBondContact O-N 3.42Å |
| 1059 | I | 77.9 | Confident | 66.4 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63 | -45.7 | 171 | -71 | 164 | 0 | 0 | 0 | 111 | D1055 I1056 Q1061 M1062 L1063 | D1055-I1059 WeakPolarHBondContact O-CB 3.31Å; D1055-I1059 WeakPolarHBondContact O-CD1 3.27Å; D1055-I1059 WeakPolarHBondContact O-CG1 3.19Å; D1055-I1059 PolarHBondContact O-N 3.37Å; I1056-I1059 PolarHBondContact O-N 3.48Å; I1059-Q1061 VanDerWaalsContact C-N 3.31Å; I1059-Q1061 PolarHBondContact O-N 3.32Å; I1059-M1062 PolarHBondContact O-N 3.25Å; I1059-L1063 HydrophobicContact CG2-CD1 4.07Å; I1059-L1063 VanDerWaalsContact O-CG 3.31Å; I1059-L1063 WeakPolarHBondContact O-CG 3.02Å; I1059-L1063 PolarHBondContact O-N 3.44Å |
| 1060 | L | 69.6 | Low | 64.1 | Low | 95 Ų | 95 | 111.7 Ų | 111.7 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.7 | -40.8 | 174.1 | -76.5 | 164.8 | 0 | 0 | 0 | 111.8 | I1056 Q1057 L1063 Q1064 | I1056-L1060 HydrophobicContact CG2-CD1 3.91Å; I1056-L1060 WeakPolarHBondContact O-CB 3.21Å; I1056-L1060 WeakPolarHBondContact O-CG 3.41Å; I1056-L1060 PolarHBondContact O-N 3.49Å; Q1057-L1060 PolarHBondContact O-N 3.08Å; L1060-L1063 PolarHBondContact O-N 2.8Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.29Å; L1060-Q1064 PolarHBondContact O-N 2.69Å |
| 1061 | Q | 69.9 | Low | 62 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.4 | -31.3 | 178.5 | -164.7 | 177.4 | 81.4 | 0 | 0 | 112.7 | Q1057 T1058 I1059 Q1064 R1065 | Q1057-Q1061 VanDerWaalsContact O-CB 3.3Å; Q1057-Q1061 WeakPolarHBondContact O-CB 3.24Å; Q1057-Q1061 PolarHBondContact O-N 2.88Å; T1058-Q1061 PolarHBondContact O-N 3.4Å; I1059-Q1061 VanDerWaalsContact C-N 3.31Å; I1059-Q1061 PolarHBondContact O-N 3.32Å; Q1061-Q1064 PolarHBondContact O-N 2.8Å; Q1061-R1065 VanDerWaalsContact O-CB 3.24Å; Q1061-R1065 WeakPolarHBondContact O-CB 3.15Å; Q1061-R1065 WeakPolarHBondContact O-CG 3.39Å; Q1061-R1065 PolarHBondContact O-N 3.47Å |
| 1062 | M | 62.6 | Low | 60.3 | Low | 142 Ų | 142 | 114.9 Ų | 114.9 | 70% | 0.7 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.5 | -45.5 | 169.9 | -73.5 | -83 | -170.4 | 0 | 0 | 111 | T1058 I1059 Q1064 R1065 | T1058-M1062 WeakPolarHBondContact O-CB 3.46Å; T1058-M1062 WeakPolarHBondContact O-CG 3.46Å; T1058-M1062 PolarHBondContact O-N 3.42Å; I1059-M1062 PolarHBondContact O-N 3.25Å; M1062-Q1064 VanDerWaalsContact C-N 3.3Å; M1062-Q1064 PolarHBondContact O-N 3.19Å; M1062-R1065 PolarHBondContact O-N 2.74Å |
| 1063 | L | 57.3 | Low | 58.3 | Low | 127 Ų | 127 | 114.6 Ų | 114.6 | 67% | 0.665 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.1 | -36.3 | 175.2 | -71.5 | 166.2 | 0 | 0 | 0 | 111.9 | I1059 L1060 R1065 | I1059-L1063 HydrophobicContact CG2-CD1 4.07Å; I1059-L1063 VanDerWaalsContact O-CG 3.31Å; I1059-L1063 WeakPolarHBondContact O-CG 3.02Å; I1059-L1063 PolarHBondContact O-N 3.44Å; L1060-L1063 PolarHBondContact O-N 2.8Å; L1063-R1065 VanDerWaalsContact C-N 3.31Å |
| 1064 | Q | 61.3 | Low | 55.8 | Low | 165 Ų | 165 | 122 Ų | 122 | 77% | 0.771 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -11.6 | 172.6 | -72.8 | -178.9 | -18.3 | 0 | 0 | 114.3 | L1060 Q1061 M1062 | L1060-Q1064 WeakPolarHBondContact O-CG 3.29Å; L1060-Q1064 PolarHBondContact O-N 2.69Å; Q1061-Q1064 PolarHBondContact O-N 2.8Å; M1062-Q1064 VanDerWaalsContact C-N 3.3Å; M1062-Q1064 PolarHBondContact O-N 3.19Å |
| 1065 | R | 49.2 | Very low | 53.3 | Low | 184 Ų | 184 | 123.7 Ų | 123.7 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 19.1 | -178 | -86.3 | -177.2 | 162.3 | 172.6 | -4.1 | 114.7 | Q1061 M1062 L1063 P1067 | Q1061-R1065 VanDerWaalsContact O-CB 3.24Å; Q1061-R1065 WeakPolarHBondContact O-CB 3.15Å; Q1061-R1065 WeakPolarHBondContact O-CG 3.39Å; Q1061-R1065 PolarHBondContact O-N 3.47Å; M1062-R1065 PolarHBondContact O-N 2.74Å; L1063-R1065 VanDerWaalsContact C-N 3.31Å; R1065-P1067 WeakPolarHBondContact O-CD 3.2Å |
| 1066 | Q | 42.1 | Very low | 50.9 | Low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 69% | 0.688 | S | S | * | * | trans | -101.4 | 86.7 | 166.7 | -72 | -162.6 | -12.6 | 0 | 0 | 112.8 | T1068 | Q1066-T1068 PolarHBondContact O-N 3.39Š| ||
| 1067 | P | 42.1 | Very low | 48.4 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | -80.8 | 87.8 | 166.9 | 33.5 | -33.7 | 0 | 0 | 0 | 110.5 | R1065 L1069 | R1065-P1067 WeakPolarHBondContact O-CD 3.2Å; P1067-L1069 PolarHBondContact O-N 3.19Å | ||
| 1068 | T | 36.5 | Very low | 46 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -76 | 101.9 | 169.3 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | Q1066 G1070 | Q1066-T1068 PolarHBondContact O-N 3.39Å; T1068-G1070 PolarHBondContact O-N 2.75Å | ||
| 1069 | L | 35.2 | Very low | 43.6 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 97% | 0.969 | 73% | 0.731 | S | S | * | * | trans | -68.8 | 119.4 | 177.8 | -168.4 | 74.8 | 0 | 0 | 0 | 110.9 | P1067 | P1067-L1069 PolarHBondContact O-N 3.19Š| ||
| 1070 | G | 32.3 | Very low | 40.9 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -153.5 | 149.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1068 | T1068-G1070 PolarHBondContact O-N 2.75Š| ||
| 1071 | P | 34.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 156.9 | -168 | 30.4 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 1072 | P | 43.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -92.2 | 173.8 | -169.8 | 37.4 | -38.1 | 0 | 0 | 0 | 115.5 | ||||
| 1073 | A | 28.8 | Very low | 35.5 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 139.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1074 | Y | 30.8 | Very low | 34.1 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | cis | -120 | 166.3 | 17.3 | -101.4 | -96.2 | 0 | 0 | 0 | 115.3 | ||||
| 1075 | S | 28.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -96.8 | 141.9 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1076 | T | 29 | Very low | 31.3 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -108.2 | 92.5 | 165.6 | 53.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1077 | V | 29.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 126 | 173 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | A1079 | V1077-A1079 PolarHBondContact O-N 3.39Š|
| 1078 | T | 30 | Very low | 29.7 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 120.2 | 168.3 | 47.1 | 0 | 0 | 0 | 0 | 110 | ||
| 1079 | A | 24.7 | Very low | 29 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 128.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1077 | V1077-A1079 PolarHBondContact O-N 3.39Š|
| 1080 | S | 23 | Very low | 28.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -157.6 | 156.1 | 156.4 | -87.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1081 | P | 39.5 | Very low | 28 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -98.5 | -179.7 | -136.4 | 40.9 | -38.8 | 0 | 0 | 0 | 112.7 | ||||
| 1082 | E | 24.5 | Very low | 28 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | cis | -145.7 | 156.7 | 22.9 | -60.6 | 168 | 112.2 | 0 | 0 | 112.1 | ||||
| 1083 | Y | 24.3 | Very low | 27.1 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -152.9 | 159.3 | 143.9 | -138.7 | -94.2 | 0 | 0 | 0 | 112.7 | ||||
| 1084 | Q | 28.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -94.3 | 133.8 | -163.8 | -110 | 177.2 | -14.9 | 0 | 0 | 115.4 | ||||
| 1085 | R | 25.6 | Very low | 26.8 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 129.2 | 133.3 | -140.8 | -173.3 | -164.3 | 152 | 5.2 | 121.4 | ||||
| 1086 | S | 24.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 68.4 | 149.8 | 147.6 | 43.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1087 | A | 25.5 | Very low | 26.8 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -139.2 | 168.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1088 | V | 25.4 | Very low | 26.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 69.6 | 109 | 154.1 | 170.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1089 | K | 22.5 | Very low | 26.7 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | 63.5 | 126.9 | 127.5 | -141.1 | -179.1 | -175.8 | -179.3 | 0 | 116.1 | |||||
| 1090 | V | 23.7 | Very low | 26.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | -173.4 | 131.1 | 77.5 | 157.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1091 | Q | 22.8 | Very low | 27 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 30 | 155.3 | 125.3 | -138.5 | 169.7 | -3.4 | 0 | 0 | 121.1 | |||||
| 1092 | P | 33.9 | Very low | 26.3 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -124.9 | -177.6 | -47.8 | 39.6 | -26.3 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | V | 25.3 | Very low | 26.5 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -89 | 150.2 | 170.1 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1094 | A | 30.2 | Very low | 26.6 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 154.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1095 | L | 22.6 | Very low | 26.5 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -129.9 | 147.7 | 145.8 | -128.5 | 176.8 | 0 | 0 | 0 | 108.5 | ||||
| 1096 | S | 31.3 | Very low | 26.5 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -105.6 | 169.7 | -170.4 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1097 | A | 26.8 | Very low | 26.5 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 76.8 | 166.6 | 169 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1098 | S | 30.9 | Very low | 26.3 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -98 | 147.2 | -156.9 | 54 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1099 | H | 26.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 124.5 | 158.3 | -78.8 | -77.1 | 0 | 0 | 0 | 120.2 | ||||
| 1100 | L | 27.4 | Very low | 27.7 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 76.2 | 126.8 | 149.5 | -84.5 | 73.9 | 0 | 0 | 0 | 122.1 | ||||
| 1101 | F | 25.6 | Very low | 27.9 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 43.3 | 92.8 | 144.3 | -70 | -74.5 | 0 | 0 | 0 | 123.1 | ||||
| 1102 | S | 25.8 | Very low | 28 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | 62.3 | 145.6 | 107.4 | 74 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1103 | H | 27.9 | Very low | 27.6 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | 102.8 | 96.9 | 142.6 | -90.3 | -68.7 | 0 | 0 | 0 | 122.9 | ||||
| 1104 | T | 26.5 | Very low | 27.7 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | 69.9 | 123.4 | 126.9 | 40.6 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1105 | D | 25.6 | Very low | 27.4 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 90.5 | 152.5 | 128.1 | -66.8 | -26.8 | 0 | 0 | 0 | 125.8 | |||||
| 1106 | T | 26.3 | Very low | 27.6 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 82.6 | 118.2 | 159.8 | 37.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1107 | Q | 23.4 | Very low | 27.3 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | 22.9 | 139.4 | 135.8 | -57.8 | 179.8 | -5.6 | 0 | 0 | 122.8 | ||||
| 1108 | G | 22.4 | Very low | 27.4 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 153.2 | 131.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1109 | P | 53.2 | Low | 27.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -121.6 | 161.7 | 179.2 | 41 | -31.2 | 0 | 0 | 0 | 115.8 | ||||
| 1110 | S | 24.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -171 | 165.7 | 151.3 | -94.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1111 | Q | 28.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -92.7 | 166.3 | -167.6 | -51.2 | 155.3 | -32.9 | 0 | 0 | 115.2 | ||||
| 1112 | K | 25 | Very low | 27.7 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 161.3 | 160.7 | 142.3 | -94 | 176.7 | 178 | 179.6 | 0 | 111.1 | ||||
| 1113 | L | 25 | Very low | 27.7 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | cis | -159.6 | 174.4 | -24.8 | -165.1 | 54.5 | 0 | 0 | 0 | 109.8 | ||||
| 1114 | Q | 26.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 160 | -169.2 | -56.3 | 148.4 | -79.3 | 0 | 0 | 119.3 | ||||
| 1115 | S | 24.5 | Very low | 27.8 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 144.3 | 130.4 | 133 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1116 | T | 26 | Very low | 27.9 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | 99.1 | 114.2 | 13.3 | -50.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1117 | I | 26.1 | Very low | 28 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -172.3 | 116.4 | 155.5 | -99.7 | 150.2 | 0 | 0 | 0 | 106.4 | ||||
| 1118 | Q | 28.8 | Very low | 28.3 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | 88.4 | 145.2 | 80 | -136.8 | 95.1 | -12.7 | 0 | 0 | 111.7 | |||||
| 1119 | E | 27.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | cis | -159.2 | 130 | 16.3 | -165.9 | 138.5 | -120.5 | 0 | 0 | 116.9 | ||||
| 1120 | S | 30.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 65.1 | 159.1 | 145.1 | 82.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1121 | K | 32.5 | Very low | 27.7 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | cis | -162.1 | 179.7 | -5.9 | -124.6 | 172.4 | 169 | -75.7 | 0 | 106.7 | ||||
| 1122 | D | 27.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | cis | -158.5 | 177.1 | 2.1 | -132.2 | -15.9 | 0 | 0 | 0 | 106.7 | ||||
| 1123 | S | 26.3 | Very low | 28.7 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -141.5 | -124.9 | -0.8 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1124 | V | 30.2 | Very low | 29 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -152.2 | 156.9 | -140.2 | 163.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1125 | S | 25.7 | Very low | 29.2 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 83 | 133.1 | 166.3 | 70 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1126 | S | 27.2 | Very low | 29.4 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | 78 | 146.9 | 15.3 | 98.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1127 | A | 28 | Very low | 29.5 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | cis | -146.5 | -170.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1128 | A | 30.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -95.5 | 165.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1129 | A | 26.1 | Very low | 29.7 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -149.7 | 160.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1130 | V | 32.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -134.8 | 143.8 | -172.7 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1131 | N | 27.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -176.1 | 155.5 | 144.1 | -94.1 | -26.4 | 0 | 0 | 0 | 112.1 | ||||
| 1132 | A | 30.1 | Very low | 29.3 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -143.6 | 162 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1133 | P | 44.6 | Very low | 29.7 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -153 | 152.9 | 122.9 | 38.6 | -21.7 | 0 | 0 | 0 | 117.1 | |||||
| 1134 | I | 31.9 | Very low | 30.1 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | 53.9 | 132.4 | 130.4 | -61.3 | 171.3 | 0 | 0 | 0 | 119.2 | ||||
| 1135 | E | 30.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | cis | -161.2 | 173.5 | -7.1 | -116.2 | 169.5 | 175 | 0 | 0 | 110.7 | ||||
| 1136 | D | 29 | Very low | 30.3 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | 49.7 | 107.3 | 159.3 | -75.9 | 2 | 0 | 0 | 0 | 122.8 | ||||
| 1137 | S | 28 | Very low | 30.5 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | -166.8 | 124.4 | 114.9 | -170.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1138 | L | 28.5 | Very low | 30.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | 40.6 | 124.1 | 154.4 | -69.4 | 167 | 0 | 0 | 0 | 121.7 | ||||
| 1139 | T | 28.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -74.4 | 145.6 | 177.1 | 45.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1140 | A | 26.8 | Very low | 31 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -146.5 | 101.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1141 | F | 29.4 | Very low | 30.9 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -73.2 | 128.8 | 165.1 | -90 | -117 | 0 | 0 | 0 | 108.6 | ||||
| 1142 | F | 27.1 | Very low | 31.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.803 | 83% | 0.825 | S | S | * | * | -171.9 | 155.2 | 108.9 | -115.7 | -84.1 | 0 | 0 | 0 | 112.2 | |||||
| 1143 | Q | 33.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -101.7 | 122.9 | 167.5 | 176.1 | -176.6 | 17.5 | 0 | 0 | 107.7 | ||||
| 1144 | Q | 35.8 | Very low | 30 | Very low | 256 Ų | 256 | 161 Ų | 161 | 100% | 1.196 | 84% | 0.84 | S | S | * | * | trans | -148.8 | 0 | 172.2 | -103.6 | 175 | -7.8 | 0 | 0 | 109.6 |
Retrieved 1,144 of 1,144 residues in 407.5 ms
(Link to these results)