| 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 | Q | 28.9 | Very low | 35.2 | Very low | 255 Ų | 255 | 151.8 Ų | 151.8 | 100% | 1.192 | 80% | 0.799 | S | S | * | * | 0 | 125.8 | 0 | -80.8 | 169 | -18.8 | 0 | 0 | 107.8 | |||||
| 2 | Q | 36.5 | Very low | 38.1 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -87.7 | 157.3 | -174.3 | -75.2 | 174.7 | -31 | 0 | 0 | 112.2 | ||||
| 3 | R | 33.6 | Very low | 41.6 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | 96.5 | 106.5 | 159.1 | -61 | -175.9 | 174.7 | 177.9 | -2 | 117.6 | ||||
| 4 | C | 26.5 | Very low | 45 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | 170.5 | 92.3 | 99.6 | -92.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 5 | F | 31.4 | Very low | 47.9 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | trans | -93.1 | 101.8 | 161.4 | -88 | -82.2 | 0 | 0 | 0 | 108.2 | ||||
| 6 | T | 27.7 | Very low | 50.6 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 64% | 0.638 | 64% | 0.638 | S | S | * | * | trans | -95.3 | 135.3 | 158.6 | 48.9 | 0 | 0 | 0 | 0 | 108 | S8 | T6-S8 PolarHBondContact O-N 3.22Š| ||
| 7 | P | 36.2 | Very low | 52.9 | Low | 140 Ų | 140 | 121.2 Ų | 121.2 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | -81.4 | 69.7 | 171.5 | 34.2 | -30.4 | 0 | 0 | 0 | 107.9 | ||||
| 8 | S | 29.6 | Very low | 54.9 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | trans | -84.9 | 129.8 | 163.8 | 69.1 | 0 | 0 | 0 | 0 | 107.5 | T6 H10 | T6-S8 PolarHBondContact O-N 3.22Å; S8-H10 PolarHBondContact O-N 3.04Å | ||
| 9 | G | 35.1 | Very low | 56.5 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 90% | 0.897 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -64.9 | 27.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 10 | H | 44.8 | Very low | 57.8 | Low | 154 Ų | 154 | 104.8 Ų | 104.8 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | trans | -84.7 | 111.2 | 170.2 | -75.4 | -37 | 0 | 0 | 0 | 109.6 | S8 | S8-H10 PolarHBondContact O-N 3.04Š| ||
| 11 | K | 57.1 | Low | 58.9 | Low | 145 Ų | 145 | 105 Ų | 105 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | trans | -50.9 | 124.6 | 167 | -68.4 | 177.3 | -178 | 168.6 | 0 | 108.1 | K13 T74 | K11-K13 WeakPolarHBondContact O-CG 3.07Å; K11-K13 PolarHBondContact O-N 3.29Å; K11-T74 HydrophobicContact CB-CG2 4.47Å | ||
| 12 | P | 69.3 | Low | 61.3 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | trans | -72.2 | 131.2 | -172 | 34.6 | -39.5 | 0 | 0 | 0 | 108.8 | T74 L130 | P12-T74 WeakPolarHBondContact O-CG2 3.32Å; P12-L130 HydrophobicContact CB-CD2 3.24Å; P12-L130 HydrophobicContact CG-CD2 3.29Å; P12-L130 WeakPolarHBondContact O-CD2 3.28Å | ||
| 13 | K | 84.3 | Confident | 63 | Low | 121 Ų | 121 | 96.5 Ų | 96.5 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | trans | -110.5 | 145.4 | -167.3 | -56.9 | 179.8 | -176.6 | 177.4 | 0 | 110.2 | K11 V62 V72 L73 T74 | K11-K13 WeakPolarHBondContact O-CG 3.07Å; K11-K13 PolarHBondContact O-N 3.29Å; K13-V62 HydrophobicContact CD-CG1 4.34Å; K13-V72 HydrophobicContact CB-CG1 3.75Å; K13-V72 HydrophobicContact CD-CG1 3.81Å; K13-V72 HydrophobicContact CG-CG1 4.2Å; K13-L73 CarbonylContact C-O 3.56Å; K13-L73 WeakPolarHBondContact CA-O 3.45Å; K13-T74 HydrophobicContact CB-CG2 4.32Å; K13-T74 HydrophobicContact CG-CG2 3.88Å | ||
| 14 | I | 88.6 | Confident | 64.7 | Low | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.015 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147.2 | 172.6 | -160.8 | 163.5 | 0 | 0 | 0 | 111.4 | V72 L73 F75 V122 L127 L130 | I14-V72 CarbonylContact O-C 3.51Å; I14-V72 WeakPolarHBondContact O-CA 3.27Å; I14-L73 HydrophobicContact CG2-CB 3.69Å; I14-L73 PolarHBondContact N-O 3.4Å; I14-L73 PolarHBondContact O-N 3.31Å; I14-F75 HydrophobicContact CG2-CE2 3.81Å; I14-F75 HydrophobicContact CG2-CZ 4.45Å; I14-V122 HydrophobicContact CD1-CG1 3.24Å; I14-V122 HydrophobicContact CG1-CG1 3.84Å; I14-L127 HydrophobicContact CD1-CB 3.55Å; I14-L127 HydrophobicContact CD1-CD1 3.38Å; I14-L127 HydrophobicContact CD1-CG 4.05Å; I14-L130 HydrophobicContact CB-CD1 3.68Å; I14-L130 HydrophobicContact CD1-CD1 4.1Å; I14-L130 HydrophobicContact CG1-CD1 4.26Å |
| 15 | V | 89.6 | Confident | 66.4 | Low | 66 Ų | 66 | 85.8 Ų | 85.8 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.4 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 108.6 | I70 | V15-I70 HydrophobicContact CB-CG2 4.41Å; V15-I70 HydrophobicContact CG1-CB 4.36Å; V15-I70 HydrophobicContact CG1-CD1 3.72Å; V15-I70 HydrophobicContact CG1-CG1 3.77Å; V15-I70 HydrophobicContact CG1-CG2 3.63Å; V15-I70 HydrophobicContact CG2-CG2 4.4Å |
| 16 | L | 90.4 | Very high | 67.6 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | 170.5 | -178.3 | 145.9 | 0 | 0 | 0 | 108.3 | I70 F71 L73 F84 V93 L97 V120 V122 | L16-I70 CarbonylContact O-C 3.58Å; L16-I70 WeakPolarHBondContact O-CA 3.47Å; L16-F71 HydrophobicContact CB-CB 4.32Å; L16-F71 HydrophobicContact CD2-CB 4.37Å; L16-F71 HydrophobicContact CD2-CD2 3.61Å; L16-F71 HydrophobicContact CD2-CE2 4.42Å; L16-F71 HydrophobicContact CD2-CG 4.43Å; L16-F71 PolarHBondContact N-O 2.99Å; L16-F71 PolarHBondContact O-N 3.43Å; L16-L73 HydrophobicContact CB-CD1 4.18Å; L16-L73 HydrophobicContact CD1-CD1 4.01Å; L16-F84 HydrophobicContact CD1-CE1 4.42Å; L16-F84 HydrophobicContact CD1-CE2 4.44Å; L16-F84 HydrophobicContact CD1-CZ 3.57Å; L16-V93 HydrophobicContact CD1-CG1 4.13Å; L16-L97 HydrophobicContact CD2-CD1 4.3Å; L16-V120 HydrophobicContact CD1-CG1 3.64Å; L16-V120 HydrophobicContact CD2-CG1 3.58Å; L16-V120 HydrophobicContact CG-CG1 3.54Å; L16-V122 HydrophobicContact CB-CG2 4.14Å; L16-V122 HydrophobicContact CD1-CG2 3.75Å; L16-V122 HydrophobicContact CG-CG2 3.91Å |
| 17 | R | 89.8 | Confident | 69.1 | Low | 126 Ų | 126 | 86 Ų | 86 | 48% | 0.475 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.9 | 179.1 | -177.6 | -177.4 | -68.4 | 143.5 | 0 | 109.2 | D69 I70 T121 | R17-D69 WeakPolarHBondContact CA-O 3.45Å; R17-I70 HydrophobicContact CB-CG1 4.18Å; R17-I70 HydrophobicContact CG-CG1 4.4Å; R17-T121 PolarHBondContact N-O 3.42Å; R17-T121 PolarHBondContact O-N 3.3Å; R17-T121 PolarHBondContact O-OG1 3.31Å |
| 18 | F | 88.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 148.5 | 173.5 | 75.6 | -82.3 | 0 | 0 | 0 | 110.5 | L36 L40 D69 F71 L97 L101 I118 N119 V120 | F18-L36 HydrophobicContact CE2-CB 4.08Å; F18-L36 HydrophobicContact CE2-CD1 4.45Å; F18-L40 HydrophobicContact CD1-CD1 4.28Å; F18-L40 HydrophobicContact CE1-CD1 3.33Å; F18-L40 HydrophobicContact CE1-CD2 4.29Å; F18-L40 HydrophobicContact CE1-CG 4.41Å; F18-L40 HydrophobicContact CZ-CD1 3.55Å; F18-D69 HydrophobicContact CD1-CB 4.21Å; F18-D69 WeakPolarHBondContact CD1-O 3.44Å; F18-D69 HydrophobicContact CE1-CB 3.75Å; F18-D69 WeakPolarHBondContact CE1-O 3.4Å; F18-D69 HydrophobicContact CZ-CB 3.93Å; F18-D69 PolarHBondContact N-O 2.94Å; F18-F71 HydrophobicContact CD1-CD2 4.2Å; F18-F71 AromaticContact CD1-CE2 3.69Å; F18-F71 HydrophobicContact CD1-CE2 3.69Å; F18-F71 HydrophobicContact CE1-CE2 4.08Å; F18-L97 HydrophobicContact CB-CD1 4.37Å; F18-L101 HydrophobicContact CD2-CD1 4.27Å; F18-L101 HydrophobicContact CE2-CD1 4.09Å; F18-L101 HydrophobicContact CZ-CD1 4.44Å; F18-I118 HydrophobicContact CB-CG2 4.27Å; F18-I118 HydrophobicContact CD2-CG2 4.49Å; F18-N119 CarbonylContact C-O 3.53Å; F18-N119 VanDerWaalsContact CA-O 3.28Å; F18-N119 WeakPolarHBondContact CA-O 3.3Å; F18-V120 HydrophobicContact CB-CG2 4.35Å |
| 19 | T | 85.7 | Confident | 72.4 | Confident | 36 Ų | 36 | 81.1 Ų | 81.1 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.9 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 110 | N119 | T19-N119 PolarHBondContact N-O 2.9Å; T19-N119 PolarHBondContact O-N 3.39Å |
| 20 | G | 83 | Confident | 74.4 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E117 | G20-E117 WeakPolarHBondContact CA-O 3.04Å |
| 21 | R | 81.2 | Confident | 75.9 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.9 | 174.1 | -65.2 | -170.8 | -179 | -178.5 | -3.1 | 110 | E117 | R21-E117 PolarHBondContact N-O 3.08Å; R21-E117 PolarHBondContact O-N 2.96Å |
| 22 | R | 78.4 | Confident | 76.9 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.5 | 167.1 | -66.6 | -166.8 | -167.4 | -168.2 | 7.1 | 109.2 | S24 G25 D29 L32 D115 | R22-S24 PolarHBondContact O-N 3.34Å; R22-S24 VanDerWaalsContact O-N 3.16Å; R22-G25 PolarHBondContact O-N 3.11Å; R22-D29 HydrophobicContact CG-CB 4.17Å; R22-D29 IonicContact CZ-OD2 2.67Å; R22-D29 IonicContact NE-OD2 3.99Å; R22-D29 PolarHBondContact NE-OD2 2.76Å; R22-D29 IonicContact NH2-OD2 3.4Å; R22-D29 PolarHBondContact NH2-OD2 3.13Å; R22-L32 HydrophobicContact CG-CD2 4.47Å; R22-D115 CarbonylContact C-O 3.58Å; R22-D115 WeakPolarHBondContact CA-O 3.35Å |
| 23 | R | 72.6 | Confident | 77.5 | Confident | 157 Ų | 157 | 71.9 Ų | 71.9 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.4 | 177.6 | -63.5 | -170.7 | -173.7 | 171.3 | -8.7 | 113 | G25 R114 D115 E117 | R23-G25 VanDerWaalsContact C-N 3.33Å; R23-R114 VanDerWaalsContact CD-O 3.28Å; R23-R114 WeakPolarHBondContact CD-O 3.02Å; R23-R114 PolarHBondContact NH1-O 3.43Å; R23-D115 PolarHBondContact N-O 2.95Å; R23-E117 HydrophobicContact CG-CB 4.23Å |
| 24 | S | 68.9 | Low | 77.4 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -7.9 | 177 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | R22 D115 | R22-S24 PolarHBondContact O-N 3.34Å; R22-S24 VanDerWaalsContact O-N 3.16Å; S24-D115 WeakPolarHBondContact CB-OD2 3.28Å; S24-D115 PolarHBondContact OG-OD2 2.99Å |
| 25 | G | 61.8 | Low | 76.8 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | trans | -140.8 | 136.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | R22 R23 N27 | R22-G25 PolarHBondContact O-N 3.11Å; R23-G25 VanDerWaalsContact C-N 3.33Å; G25-N27 PolarHBondContact O-N 3.21Å | ||
| 26 | D | 57.2 | Low | 76.4 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 88% | 0.877 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.1 | -15.3 | -178.4 | -71.3 | -30.8 | 0 | 0 | 0 | 114.1 | ||
| 27 | N | 58.2 | Low | 76.1 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -101.7 | 145.6 | -174.7 | -72.3 | -29.7 | 0 | 0 | 0 | 112.8 | G25 D29 | G25-N27 PolarHBondContact O-N 3.21Å; N27-D29 PolarHBondContact O-N 2.88Å |
| 28 | P | 61.5 | Low | 75.5 | Confident | 77 Ų | 77 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | trans | -61.1 | 123.6 | 173.6 | 26.3 | -33.3 | 0 | 0 | 0 | 110.3 | Q30 | P28-Q30 PolarHBondContact O-N 3.5Š| ||
| 29 | D | 74.3 | Confident | 74.9 | Confident | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | trans | -76.8 | 107.9 | 178.3 | 177.7 | 6.1 | 0 | 0 | 0 | 109.4 | R22 N27 S31 L32 Q33 | R22-D29 HydrophobicContact CG-CB 4.17Å; R22-D29 IonicContact CZ-OD2 2.67Å; R22-D29 IonicContact NE-OD2 3.99Å; R22-D29 PolarHBondContact NE-OD2 2.76Å; R22-D29 IonicContact NH2-OD2 3.4Å; R22-D29 PolarHBondContact NH2-OD2 3.13Å; N27-D29 PolarHBondContact O-N 2.88Å; D29-S31 VanDerWaalsContact CG-OG 3.23Å; D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-N 3.18Å; D29-S31 PolarHBondContact OD1-OG 3.04Å; D29-S31 PolarHBondContact OD2-OG 3.48Å; D29-S31 VanDerWaalsContact OD2-OG 3.11Å; D29-L32 HydrophobicContact CB-CB 3.86Å; D29-L32 PolarHBondContact O-N 3.42Å; D29-L32 PolarHBondContact OD1-N 2.97Å; D29-L32 WeakPolarHBondContact OD2-CB 3.37Å; D29-Q33 WeakPolarHBondContact O-CB 3.41Å; D29-Q33 PolarHBondContact O-N 3.31Å | ||
| 30 | Q | 77.6 | Confident | 74.6 | Confident | 171 Ų | 171 | 67.2 Ų | 67.2 | 80% | 0.799 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.3 | -31.8 | 179.7 | -67.4 | -176.5 | -3.6 | 0 | 0 | 112.2 | P28 E34 | P28-Q30 PolarHBondContact O-N 3.5Å; Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.01Å |
| 31 | S | 75.6 | Confident | 74.4 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.4 | -43.8 | 179.6 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | D29 E34 A35 | D29-S31 VanDerWaalsContact CG-OG 3.23Å; D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-N 3.18Å; D29-S31 PolarHBondContact OD1-OG 3.04Å; D29-S31 PolarHBondContact OD2-OG 3.48Å; D29-S31 VanDerWaalsContact OD2-OG 3.11Å; S31-E34 PolarHBondContact O-N 3.16Å; S31-A35 PolarHBondContact O-N 3.43Å |
| 32 | L | 77.8 | Confident | 74 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.9 | 175.6 | 67.5 | 0 | 0 | 0 | 111.5 | R22 D29 E34 A35 L36 F106 L116 | R22-L32 HydrophobicContact CG-CD2 4.47Å; D29-L32 HydrophobicContact CB-CB 3.86Å; D29-L32 PolarHBondContact O-N 3.42Å; D29-L32 PolarHBondContact OD1-N 2.97Å; D29-L32 WeakPolarHBondContact OD2-CB 3.37Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.02Å; L32-A35 WeakPolarHBondContact O-CB 3.45Å; L32-A35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CG-CD1 4.41Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 2.99Å; L32-F106 HydrophobicContact CD1-CE1 3.76Å; L32-F106 HydrophobicContact CD1-CZ 3.91Å; L32-L116 HydrophobicContact CD1-CD1 3.57Å; L32-L116 HydrophobicContact CD2-CD1 3.48Å; L32-L116 VanDerWaalsContact CD2-CD1 3.48Å; L32-L116 HydrophobicContact CG-CD1 4.04Å |
| 33 | Q | 83.6 | Confident | 73.7 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 178.1 | -173.2 | 65 | 33.9 | 0 | 0 | 111.1 | D29 L36 R37 D69 | D29-Q33 WeakPolarHBondContact O-CB 3.41Å; D29-Q33 PolarHBondContact O-N 3.31Å; Q33-L36 PolarHBondContact O-N 3.11Å; Q33-R37 VanDerWaalsContact O-CB 3.23Å; Q33-R37 WeakPolarHBondContact O-CB 3.26Å; Q33-R37 PolarHBondContact O-N 3.24Å; Q33-D69 PolarHBondContact NE2-OD1 3.49Å; Q33-D69 PolarHBondContact NE2-OD2 2.95Å |
| 34 | E | 80.4 | Confident | 73.9 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 175.5 | -169.4 | 63.4 | -162.1 | 0 | 0 | 111.4 | Q30 S31 L32 L36 R37 T38 R41 | Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.01Å; S31-E34 PolarHBondContact O-N 3.16Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.02Å; E34-L36 PolarHBondContact O-N 3.12Å; E34-R37 WeakPolarHBondContact O-CB 3.17Å; E34-R37 PolarHBondContact O-N 3.23Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E34-R37 IonicContact OE2-CZ 2.92Å; E34-R37 IonicContact OE2-NH1 3.73Å; E34-R37 PolarHBondContact OE2-NH1 3.07Å; E34-T38 WeakPolarHBondContact O-CG2 3.06Å; E34-T38 PolarHBondContact O-N 3.26Å; E34-R41 IonicContact OE1-CZ 2.89Å; E34-R41 VanDerWaalsContact OE1-CZ 3.32Å; E34-R41 IonicContact OE1-NH1 2.66Å; E34-R41 PolarHBondContact OE1-NH1 3.22Å; E34-R41 IonicContact OE1-NH2 2.79Å; E34-R41 PolarHBondContact OE1-NH2 3.34Å; E34-R41 IonicContact OE2-NH2 3.38Å |
| 35 | A | 76.4 | Confident | 73.8 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S31 L32 R37 T38 F106 | S31-A35 PolarHBondContact O-N 3.43Å; L32-A35 WeakPolarHBondContact O-CB 3.45Å; L32-A35 PolarHBondContact O-N 3.47Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.4Å; A35-T38 PolarHBondContact O-N 3.26Å; A35-T38 PolarHBondContact O-OG1 2.89Å; A35-F106 HydrophobicContact CB-CZ 4.42Å |
| 36 | L | 81.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 174.3 | -64.2 | 173 | 0 | 0 | 0 | 111.8 | F18 L32 Q33 E34 R39 L40 L101 I118 | F18-L36 HydrophobicContact CE2-CB 4.08Å; F18-L36 HydrophobicContact CE2-CD1 4.45Å; L32-L36 HydrophobicContact CG-CD1 4.41Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 2.99Å; Q33-L36 PolarHBondContact O-N 3.11Å; E34-L36 PolarHBondContact O-N 3.12Å; L36-R39 PolarHBondContact O-N 3.29Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.08Å; L36-L101 HydrophobicContact CD2-CB 3.84Å; L36-I118 HydrophobicContact CD1-CD1 3.94Å; L36-I118 HydrophobicContact CD1-CG1 4.15Å; L36-I118 HydrophobicContact CD2-CD1 4.06Å |
| 37 | R | 84.3 | Confident | 74.9 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 179.7 | -170.3 | 178.5 | -63.7 | 133.1 | -5.1 | 112.6 | Q33 E34 A35 R39 L40 R41 A66 D69 | Q33-R37 VanDerWaalsContact O-CB 3.23Å; Q33-R37 WeakPolarHBondContact O-CB 3.26Å; Q33-R37 PolarHBondContact O-N 3.24Å; E34-R37 WeakPolarHBondContact O-CB 3.17Å; E34-R37 PolarHBondContact O-N 3.23Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E34-R37 IonicContact OE2-CZ 2.92Å; E34-R37 IonicContact OE2-NH1 3.73Å; E34-R37 PolarHBondContact OE2-NH1 3.07Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.4Å; R37-R39 VanDerWaalsContact C-N 3.3Å; R37-R39 PolarHBondContact O-N 3.08Å; R37-L40 WeakPolarHBondContact O-CA 3.24Å; R37-L40 WeakPolarHBondContact O-CB 3.11Å; R37-L40 PolarHBondContact O-N 3Å; R37-L40 VanDerWaalsContact O-N 3.08Å; R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 3.2Å; R37-A66 WeakPolarHBondContact CD-O 3.43Å; R37-A66 HydrophobicContact CG-CB 4.3Å; R37-A66 WeakPolarHBondContact CG-O 3.38Å; R37-A66 PolarHBondContact NE-O 3Å; R37-D69 IonicContact CZ-OD1 3.91Å; R37-D69 IonicContact CZ-OD2 3.26Å; R37-D69 IonicContact NE-OD1 3.98Å; R37-D69 PolarHBondContact NE-OD1 3.46Å; R37-D69 IonicContact NE-OD2 3.88Å; R37-D69 VanDerWaalsContact NH2-CG 3.32Å; R37-D69 IonicContact NH2-OD1 3.82Å; R37-D69 PolarHBondContact NH2-OD1 3.26Å; R37-D69 VanDerWaalsContact NH2-OD1 3.14Å; R37-D69 IonicContact NH2-OD2 3.21Å; R37-D69 PolarHBondContact NH2-OD2 3.23Å |
| 38 | T | 76.6 | Confident | 75.8 | Confident | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | E34 A35 L40 R41 V42 L1007 | E34-T38 WeakPolarHBondContact O-CG2 3.06Å; E34-T38 PolarHBondContact O-N 3.26Å; A35-T38 PolarHBondContact O-N 3.26Å; A35-T38 PolarHBondContact O-OG1 2.89Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.24Å; T38-R41 PolarHBondContact O-N 3.48Å; T38-V42 WeakPolarHBondContact O-CG2 3.45Å; T38-V42 PolarHBondContact O-N 3.17Å; T38-L1007 WeakPolarHBondContact CG2-O 3.36Å |
| 39 | R | 75.9 | Confident | 76.4 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 173.5 | -65.7 | -69.8 | -80.3 | -173.7 | -22.9 | 112.1 | L36 R37 V42 V43 L101 D103 | L36-R39 PolarHBondContact O-N 3.29Å; R37-R39 VanDerWaalsContact C-N 3.3Å; R37-R39 PolarHBondContact O-N 3.08Å; R39-V42 WeakPolarHBondContact O-CB 3.46Å; R39-V42 PolarHBondContact O-N 3.46Å; R39-V43 VanDerWaalsContact O-CG2 3.29Å; R39-V43 WeakPolarHBondContact O-CG2 3.4Å; R39-V43 PolarHBondContact O-N 3.26Å; R39-L101 WeakPolarHBondContact CG-O 3.48Å; R39-D103 WeakPolarHBondContact CD-OD1 3.38Å; R39-D103 IonicContact CZ-OD1 3.07Å; R39-D103 IonicContact NE-OD1 2.67Å; R39-D103 PolarHBondContact NE-OD1 3.14Å; R39-D103 IonicContact NH1-OD1 3.67Å; R39-D103 IonicContact NH2-OD1 3.6Å; R39-D103 PolarHBondContact NH2-OD1 3.36Å |
| 40 | L | 80.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 177.4 | -154.9 | 118.9 | 0 | 0 | 0 | 113.3 | F18 L36 R37 T38 V42 V43 E44 V64 A66 F71 L101 | F18-L40 HydrophobicContact CD1-CD1 4.28Å; F18-L40 HydrophobicContact CE1-CD1 3.33Å; F18-L40 HydrophobicContact CE1-CD2 4.29Å; F18-L40 HydrophobicContact CE1-CG 4.41Å; F18-L40 HydrophobicContact CZ-CD1 3.55Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.08Å; R37-L40 WeakPolarHBondContact O-CA 3.24Å; R37-L40 WeakPolarHBondContact O-CB 3.11Å; R37-L40 PolarHBondContact O-N 3Å; R37-L40 VanDerWaalsContact O-N 3.08Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.24Å; L40-V42 VanDerWaalsContact C-N 3.33Å; L40-V42 PolarHBondContact O-N 3.38Å; L40-V43 CarbonylContact O-C 3.37Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-V43 VanDerWaalsContact O-N 3.1Å; L40-E44 PolarHBondContact O-N 3.43Å; L40-V64 HydrophobicContact CD2-CG1 3.38Å; L40-V64 HydrophobicContact CG-CG1 3.78Å; L40-A66 HydrophobicContact CB-CB 4.31Å; L40-A66 HydrophobicContact CD2-CB 3.6Å; L40-F71 HydrophobicContact CD1-CE1 3.74Å; L40-F71 HydrophobicContact CD1-CE2 3.9Å; L40-F71 HydrophobicContact CD1-CZ 3.21Å; L40-F71 HydrophobicContact CG-CE1 4.35Å; L40-F71 HydrophobicContact CG-CZ 4.25Å; L40-L101 HydrophobicContact CD1-CD1 4.36Å; L40-L101 HydrophobicContact CD1-CD2 3.95Å |
| 41 | R | 78.4 | Confident | 77.3 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 173.5 | -75.5 | 179.2 | -174 | 133 | 6.6 | 111.4 | E34 R37 T38 V43 E44 S45 A66 E67 D1006 | E34-R41 IonicContact OE1-CZ 2.89Å; E34-R41 VanDerWaalsContact OE1-CZ 3.32Å; E34-R41 IonicContact OE1-NH1 2.66Å; E34-R41 PolarHBondContact OE1-NH1 3.22Å; E34-R41 IonicContact OE1-NH2 2.79Å; E34-R41 PolarHBondContact OE1-NH2 3.34Å; E34-R41 IonicContact OE2-NH2 3.38Å; R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 3.2Å; T38-R41 PolarHBondContact O-N 3.48Å; R41-V43 PolarHBondContact O-N 3.08Å; R41-E44 WeakPolarHBondContact O-CB 3.43Å; R41-E44 PolarHBondContact O-N 3.22Å; R41-S45 PolarHBondContact O-N 3.5Å; R41-A66 HydrophobicContact CB-CB 4.1Å; R41-A66 HydrophobicContact CG-CB 3.36Å; R41-E67 IonicContact CZ-OE1 3.11Å; R41-E67 VanDerWaalsContact CZ-OE1 3.22Å; R41-E67 IonicContact NE-OE1 3.76Å; R41-E67 PolarHBondContact NE-OE1 3.02Å; R41-E67 IonicContact NH2-OE1 2.66Å; R41-E67 PolarHBondContact NH2-OE1 3.35Å; R41-E67 IonicContact NH2-OE2 2.97Å; R41-D1006 HydrophobicContact CB-CB 4.12Å; R41-D1006 WeakPolarHBondContact CB-O 3.37Å; R41-D1006 WeakPolarHBondContact CD-O 3.42Å |
| 42 | V | 72.2 | Confident | 77.8 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.5 | -41.6 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | T38 R39 L40 S45 K966 L1007 | T38-V42 WeakPolarHBondContact O-CG2 3.45Å; T38-V42 PolarHBondContact O-N 3.17Å; R39-V42 WeakPolarHBondContact O-CB 3.46Å; R39-V42 PolarHBondContact O-N 3.46Å; L40-V42 VanDerWaalsContact C-N 3.33Å; L40-V42 PolarHBondContact O-N 3.38Å; V42-S45 PolarHBondContact O-N 3.14Å; V42-S45 PolarHBondContact O-OG 2.67Å; V42-K966 HydrophobicContact CB-CG 4.34Å; V42-K966 HydrophobicContact CG1-CD 4.26Å; V42-K966 HydrophobicContact CG1-CG 3.53Å; V42-K966 HydrophobicContact CG2-CB 4.23Å; V42-K966 HydrophobicContact CG2-CG 3.9Å; V42-L1007 HydrophobicContact CG2-CD2 4.05Å |
| 43 | V | 73.1 | Confident | 78.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.6 | -30.3 | -177.6 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | R39 L40 R41 S45 N46 S47 I50 F100 | R39-V43 VanDerWaalsContact O-CG2 3.29Å; R39-V43 WeakPolarHBondContact O-CG2 3.4Å; R39-V43 PolarHBondContact O-N 3.26Å; L40-V43 CarbonylContact O-C 3.37Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-V43 VanDerWaalsContact O-N 3.1Å; R41-V43 PolarHBondContact O-N 3.08Å; V43-S45 PolarHBondContact O-N 3.19Å; V43-N46 CarbonylContact O-C 3.5Å; V43-N46 PolarHBondContact O-N 3.36Å; V43-N46 VanDerWaalsContact O-N 3.07Å; V43-S47 PolarHBondContact O-N 3.45Å; V43-I50 HydrophobicContact CG1-CB 3.59Å; V43-I50 HydrophobicContact CG1-CD1 3.78Å; V43-I50 HydrophobicContact CG1-CG1 4.31Å; V43-I50 HydrophobicContact CG1-CG2 3.3Å; V43-F100 HydrophobicContact CB-CE1 4.37Å; V43-F100 HydrophobicContact CG1-CE1 3.98Å; V43-F100 HydrophobicContact CG1-CZ 4Å; V43-F100 HydrophobicContact CG2-CE1 3.65Å; V43-F100 HydrophobicContact CG2-CZ 3.75Å |
| 44 | E | 76.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 41% | 0.407 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.3 | -32.1 | 171.2 | -174.1 | 169.4 | 179.1 | 0 | 0 | 111 | L40 R41 V64 A66 | L40-E44 PolarHBondContact O-N 3.43Å; R41-E44 WeakPolarHBondContact O-CB 3.43Å; R41-E44 PolarHBondContact O-N 3.22Å; E44-V64 HydrophobicContact CB-CB 4.15Å; E44-V64 HydrophobicContact CB-CG1 4.14Å; E44-V64 VanDerWaalsContact CD-O 3.22Å; E44-V64 HydrophobicContact CG-CB 4.25Å; E44-V64 WeakPolarHBondContact CG-O 3.45Å; E44-V64 VanDerWaalsContact OE1-O 3.09Å; E44-A66 VanDerWaalsContact OE2-CB 3.29Å; E44-A66 WeakPolarHBondContact OE2-CB 3.45Å; E44-A66 PolarHBondContact OE2-N 3.42Å |
| 45 | S | 65.1 | Low | 79.3 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.4 | -30.2 | 175.3 | 84.1 | 0 | 0 | 0 | 0 | 114.8 | R41 V42 V43 | R41-S45 PolarHBondContact O-N 3.5Å; V42-S45 PolarHBondContact O-N 3.14Å; V42-S45 PolarHBondContact O-OG 2.67Å; V43-S45 PolarHBondContact O-N 3.19Å |
| 46 | N | 69.5 | Low | 79.9 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | trans | -140.2 | 86.4 | -177.1 | -175.1 | 14.8 | 0 | 0 | 0 | 111.1 | V43 K48 | V43-N46 CarbonylContact O-C 3.5Å; V43-N46 PolarHBondContact O-N 3.36Å; V43-N46 VanDerWaalsContact O-N 3.07Å; N46-K48 VanDerWaalsContact C-N 3.3Å; N46-K48 PolarHBondContact O-N 2.91Å | ||
| 47 | S | 73.1 | Confident | 80.4 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | trans | -81.4 | 2.5 | -169.2 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | V43 D49 I50 T51 | V43-S47 PolarHBondContact O-N 3.45Å; S47-D49 PolarHBondContact O-N 3.48Å; S47-I50 WeakPolarHBondContact O-CG2 3.4Å; S47-I50 PolarHBondContact O-N 2.87Å; S47-T51 VanDerWaalsContact O-CB 3.27Å; S47-T51 WeakPolarHBondContact O-CB 3.43Å; S47-T51 PolarHBondContact O-N 3.33Å; S47-T51 PolarHBondContact O-OG1 2.95Å | ||
| 48 | K | 77.6 | Confident | 80.8 | Confident | 162 Ų | 162 | 43.1 Ų | 43.1 | 70% | 0.704 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.1 | -50.1 | -173.4 | -71.6 | -177.4 | 178.8 | 179.3 | 0 | 112.4 | N46 I50 T51 Q52 | N46-K48 VanDerWaalsContact C-N 3.3Å; N46-K48 PolarHBondContact O-N 2.91Å; K48-I50 PolarHBondContact O-N 3.31Å; K48-T51 WeakPolarHBondContact O-CB 3.37Å; K48-T51 PolarHBondContact O-N 3.12Å; K48-Q52 PolarHBondContact O-N 3.27Å; K48-Q52 VanDerWaalsContact O-N 3.14Å |
| 49 | D | 73.4 | Confident | 81.6 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.3 | -42.5 | -174.9 | -61.5 | -3.8 | 0 | 0 | 0 | 111.3 | S47 T51 Q52 L53 F100 K964 | S47-D49 PolarHBondContact O-N 3.48Å; D49-T51 VanDerWaalsContact C-N 3.32Å; D49-T51 PolarHBondContact O-N 2.93Å; D49-Q52 WeakPolarHBondContact O-CB 3.39Å; D49-Q52 PolarHBondContact O-N 3.01Å; D49-L53 PolarHBondContact O-N 3.28Å; D49-L53 VanDerWaalsContact O-N 3.14Å; D49-F100 HydrophobicContact CB-CE2 3.95Å; D49-F100 HydrophobicContact CB-CZ 4.32Å; D49-K964 IonicContact OD2-NZ 3.75Å; D49-K964 PolarHBondContact OD2-NZ 3.16Å |
| 50 | I | 85.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.4 | -26.5 | 177.9 | -166.8 | 154 | 0 | 0 | 0 | 112.8 | V43 S47 K48 Q52 L53 F54 L61 V64 F71 F100 | V43-I50 HydrophobicContact CG1-CB 3.59Å; V43-I50 HydrophobicContact CG1-CD1 3.78Å; V43-I50 HydrophobicContact CG1-CG1 4.31Å; V43-I50 HydrophobicContact CG1-CG2 3.3Å; S47-I50 WeakPolarHBondContact O-CG2 3.4Å; S47-I50 PolarHBondContact O-N 2.87Å; K48-I50 PolarHBondContact O-N 3.31Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-L53 PolarHBondContact O-N 2.86Å; I50-F54 HydrophobicContact CD1-CE2 4.11Å; I50-F54 HydrophobicContact CG1-CD2 3.83Å; I50-F54 HydrophobicContact CG1-CE2 3.74Å; I50-F54 WeakPolarHBondContact O-CD2 3.18Å; I50-F54 PolarHBondContact O-N 3.46Å; I50-L61 HydrophobicContact CB-CD2 4.38Å; I50-L61 HydrophobicContact CG1-CD2 4.3Å; I50-L61 HydrophobicContact CG2-CD2 3.45Å; I50-L61 VanDerWaalsContact CG2-CD2 3.45Å; I50-V64 HydrophobicContact CG2-CG2 4.45Å; I50-F71 HydrophobicContact CD1-CD1 4.1Å; I50-F71 HydrophobicContact CD1-CE1 3.21Å; I50-F71 HydrophobicContact CD1-CZ 3.62Å; I50-F71 HydrophobicContact CG1-CE1 4.33Å; I50-F100 HydrophobicContact CB-CE1 4.06Å; I50-F100 HydrophobicContact CB-CE2 4.43Å; I50-F100 HydrophobicContact CB-CZ 3.76Å; I50-F100 HydrophobicContact CD1-CD1 4.24Å; I50-F100 HydrophobicContact CD1-CE1 3.72Å; I50-F100 HydrophobicContact CD1-CZ 4.3Å; I50-F100 HydrophobicContact CG1-CE1 4.19Å; I50-F100 HydrophobicContact CG1-CZ 4.34Å |
| 51 | T | 86.6 | Confident | 82.8 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 172.7 | -59 | 0 | 0 | 0 | 0 | 109.9 | S47 K48 D49 F54 Q55 | S47-T51 VanDerWaalsContact O-CB 3.27Å; S47-T51 WeakPolarHBondContact O-CB 3.43Å; S47-T51 PolarHBondContact O-N 3.33Å; S47-T51 PolarHBondContact O-OG1 2.95Å; K48-T51 WeakPolarHBondContact O-CB 3.37Å; K48-T51 PolarHBondContact O-N 3.12Å; D49-T51 VanDerWaalsContact C-N 3.32Å; D49-T51 PolarHBondContact O-N 2.93Å; T51-F54 PolarHBondContact O-N 2.87Å; T51-Q55 WeakPolarHBondContact O-CB 3.34Å; T51-Q55 VanDerWaalsContact O-CG 3.23Å; T51-Q55 WeakPolarHBondContact O-CG 3.29Å; T51-Q55 PolarHBondContact O-N 3.47Å |
| 52 | Q | 86.5 | Confident | 83.3 | Confident | 85 Ų | 85 | 45.8 Ų | 45.8 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 174 | -170.3 | 179.4 | -7.6 | 0 | 0 | 111.6 | K48 D49 I50 F54 Q55 D56 Y659 | K48-Q52 PolarHBondContact O-N 3.27Å; K48-Q52 VanDerWaalsContact O-N 3.14Å; D49-Q52 WeakPolarHBondContact O-CB 3.39Å; D49-Q52 PolarHBondContact O-N 3.01Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; Q52-F54 PolarHBondContact O-N 3.15Å; Q52-Q55 WeakPolarHBondContact O-CB 3.45Å; Q52-Q55 PolarHBondContact O-N 2.96Å; Q52-D56 PolarHBondContact O-N 3.43Å; Q52-Y659 HydrophobicContact CG-CE2 4.32Å |
| 53 | L | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -48.5 | 173.9 | 176 | 150.8 | 0 | 0 | 0 | 111.9 | D49 I50 Q55 D56 L57 C96 L97 F100 Y659 | D49-L53 PolarHBondContact O-N 3.28Å; D49-L53 VanDerWaalsContact O-N 3.14Å; I50-L53 PolarHBondContact O-N 2.86Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.05Å; L53-D56 PolarHBondContact O-N 3.44Å; L53-L57 HydrophobicContact CD2-CD1 3.67Å; L53-L57 HydrophobicContact CG-CD1 4.49Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.97Å; L53-L57 VanDerWaalsContact O-N 3.11Å; L53-C96 HydrophobicContact CD1-CB 4.23Å; L53-C96 HydrophobicContact CG-CB 4.46Å; L53-L97 HydrophobicContact CD2-CD2 4.32Å; L53-F100 HydrophobicContact CD1-CB 3.63Å; L53-F100 HydrophobicContact CD1-CD2 4Å; L53-F100 HydrophobicContact CD1-CG 3.83Å; L53-Y659 HydrophobicContact CB-CD1 4.46Å; L53-Y659 HydrophobicContact CB-CD2 4.27Å; L53-Y659 HydrophobicContact CB-CE1 4.28Å; L53-Y659 HydrophobicContact CB-CE2 4.06Å; L53-Y659 HydrophobicContact CB-CG 4.46Å; L53-Y659 HydrophobicContact CD1-CD1 4.03Å; L53-Y659 HydrophobicContact CD1-CE1 4.04Å; L53-Y659 HydrophobicContact CG-CD1 4.33Å; L53-Y659 HydrophobicContact CG-CE1 4.49Å; L53-Y659 HydrophobicContact CG-CG 4.44Å |
| 54 | F | 92 | Very high | 84.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -28.9 | 179.6 | -80.4 | -69.3 | 0 | 0 | 0 | 112.7 | I50 T51 Q52 L57 S58 A59 L61 F71 L73 L97 | I50-F54 HydrophobicContact CD1-CE2 4.11Å; I50-F54 HydrophobicContact CG1-CD2 3.83Å; I50-F54 HydrophobicContact CG1-CE2 3.74Å; I50-F54 WeakPolarHBondContact O-CD2 3.18Å; I50-F54 PolarHBondContact O-N 3.46Å; T51-F54 PolarHBondContact O-N 2.87Å; Q52-F54 PolarHBondContact O-N 3.15Å; F54-L57 HydrophobicContact CD1-CD1 4.01Å; F54-L57 HydrophobicContact CE1-CD1 4.17Å; F54-L57 CarbonylContact O-C 3.54Å; F54-L57 PolarHBondContact O-N 3.34Å; F54-S58 PolarHBondContact O-N 3Å; F54-A59 CarbonylContact C-O 3.48Å; F54-A59 HydrophobicContact CB-CB 4.4Å; F54-A59 HydrophobicContact CD1-CB 4.18Å; F54-A59 CarbonylContact O-C 3.58Å; F54-A59 WeakPolarHBondContact O-CA 3.28Å; F54-A59 PolarHBondContact O-N 3.48Å; F54-L61 HydrophobicContact CB-CB 4.41Å; F54-L61 HydrophobicContact CD2-CB 4.22Å; F54-L61 HydrophobicContact CD2-CD1 4.04Å; F54-L61 HydrophobicContact CD2-CD2 4.34Å; F54-L61 HydrophobicContact CD2-CG 4.44Å; F54-L61 HydrophobicContact CE2-CD1 4.12Å; F54-F71 HydrophobicContact CE2-CB 4.34Å; F54-F71 AromaticContact CE2-CD1 3.82Å; F54-F71 HydrophobicContact CE2-CD1 3.82Å; F54-F71 HydrophobicContact CE2-CD2 4.46Å; F54-F71 HydrophobicContact CE2-CE1 4.19Å; F54-F71 AromaticContact CE2-CG 3.94Å; F54-F71 HydrophobicContact CE2-CG 3.94Å; F54-F71 HydrophobicContact CZ-CB 4.05Å; F54-F71 HydrophobicContact CZ-CD1 4.16Å; F54-F71 HydrophobicContact CZ-CD2 4.01Å; F54-F71 HydrophobicContact CZ-CE2 4.43Å; F54-F71 AromaticContact CZ-CG 3.79Å; F54-F71 HydrophobicContact CZ-CG 3.79Å; F54-L73 HydrophobicContact CD1-CD1 3.97Å; F54-L73 HydrophobicContact CD1-CD2 3.68Å; F54-L73 HydrophobicContact CD1-CG 4.5Å; F54-L73 HydrophobicContact CD2-CD2 4.13Å; F54-L73 HydrophobicContact CE1-CD1 3.73Å; F54-L73 HydrophobicContact CE1-CD2 3.8Å; F54-L73 HydrophobicContact CE1-CG 4.37Å; F54-L73 HydrophobicContact CE2-CD2 4.23Å; F54-L73 HydrophobicContact CG-CD2 3.86Å; F54-L73 HydrophobicContact CZ-CD1 4.5Å; F54-L73 HydrophobicContact CZ-CD2 4.07Å; F54-L97 HydrophobicContact CZ-CD2 4.45Å |
| 55 | Q | 90.4 | Very high | 85 | Confident | 120 Ų | 120 | 45.5 Ų | 45.5 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.4 | -45.2 | 171.3 | -76.8 | 172.1 | 9.8 | 0 | 0 | 111.7 | T51 Q52 L53 L57 S58 A59 | T51-Q55 WeakPolarHBondContact O-CB 3.34Å; T51-Q55 VanDerWaalsContact O-CG 3.23Å; T51-Q55 WeakPolarHBondContact O-CG 3.29Å; T51-Q55 PolarHBondContact O-N 3.47Å; Q52-Q55 WeakPolarHBondContact O-CB 3.45Å; Q52-Q55 PolarHBondContact O-N 2.96Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.05Å; Q55-L57 VanDerWaalsContact C-N 3.27Å; Q55-L57 PolarHBondContact O-N 3.02Å; Q55-S58 WeakPolarHBondContact O-CA 3.46Å; Q55-S58 PolarHBondContact O-N 3.48Å; Q55-A59 PolarHBondContact N-O 2.79Å |
| 56 | D | 89.3 | Confident | 85.8 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 173.9 | -79.9 | 20.3 | 0 | 0 | 0 | 111 | Q52 L53 S58 M657 P658 Y659 L660 | Q52-D56 PolarHBondContact O-N 3.43Å; L53-D56 PolarHBondContact O-N 3.44Å; D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.1Å; D56-M657 HydrophobicContact CB-CE 4.48Å; D56-M657 HydrophobicContact CB-SD 4.23Å; D56-M657 WeakPolarHBondContact O-CE 3.34Å; D56-P658 WeakPolarHBondContact OD2-CD 3.49Å; D56-Y659 HydrophobicContact CB-CD2 4.33Å; D56-Y659 WeakPolarHBondContact OD2-CD2 3.49Å; D56-L660 WeakPolarHBondContact O-CD1 3.47Å |
| 57 | L | 92.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 5.2 | 173.5 | -65.1 | 175.7 | 0 | 0 | 0 | 114.1 | L53 F54 Q55 A59 F84 Y87 V93 C96 L660 | L53-L57 HydrophobicContact CD2-CD1 3.67Å; L53-L57 HydrophobicContact CG-CD1 4.49Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.97Å; L53-L57 VanDerWaalsContact O-N 3.11Å; F54-L57 HydrophobicContact CD1-CD1 4.01Å; F54-L57 HydrophobicContact CE1-CD1 4.17Å; F54-L57 CarbonylContact O-C 3.54Å; F54-L57 PolarHBondContact O-N 3.34Å; Q55-L57 VanDerWaalsContact C-N 3.27Å; Q55-L57 PolarHBondContact O-N 3.02Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.44Å; L57-F84 HydrophobicContact CB-CD2 4.25Å; L57-F84 HydrophobicContact CB-CE2 4.5Å; L57-F84 WeakPolarHBondContact O-CD2 3.18Å; L57-Y87 HydrophobicContact CD2-CD2 4.18Å; L57-V93 HydrophobicContact CD1-CB 4.45Å; L57-V93 HydrophobicContact CD1-CG1 4.11Å; L57-V93 HydrophobicContact CD1-CG2 4.21Å; L57-V93 HydrophobicContact CD2-CG2 4.09Å; L57-C96 HydrophobicContact CD1-CB 4.44Å; L57-L660 HydrophobicContact CD2-CD2 3.72Å; L57-L660 HydrophobicContact CD2-CG 4.46Å |
| 58 | S | 92.7 | Very high | 86.8 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 33.6 | -177.4 | -55.3 | 0 | 0 | 0 | 0 | 114.1 | F54 Q55 D56 E80 K83 | F54-S58 PolarHBondContact O-N 3Å; Q55-S58 WeakPolarHBondContact O-CA 3.46Å; Q55-S58 PolarHBondContact O-N 3.48Å; D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.1Å; S58-E80 VanDerWaalsContact O-CB 3.25Å; S58-E80 WeakPolarHBondContact O-CB 3.4Å; S58-K83 WeakPolarHBondContact OG-CD 3.49Å |
| 59 | A | 92.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | trans | -126.6 | 157.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F54 Q55 L57 L73 F75 F84 | F54-A59 CarbonylContact C-O 3.48Å; F54-A59 HydrophobicContact CB-CB 4.4Å; F54-A59 HydrophobicContact CD1-CB 4.18Å; F54-A59 CarbonylContact O-C 3.58Å; F54-A59 WeakPolarHBondContact O-CA 3.28Å; F54-A59 PolarHBondContact O-N 3.48Å; Q55-A59 PolarHBondContact N-O 2.79Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.44Å; A59-L73 HydrophobicContact CB-CD1 4.18Å; A59-F75 HydrophobicContact CB-CD1 4.45Å; A59-F75 HydrophobicContact CB-CE1 3.69Å; A59-F75 HydrophobicContact CB-CZ 4.32Å; A59-F84 HydrophobicContact CB-CD2 3.66Å; A59-F84 HydrophobicContact CB-CE2 3.91Å; A59-F84 HydrophobicContact CB-CG 4.35Å | ||
| 60 | R | 91.1 | Very high | 87.9 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.4 | 177.4 | -57.9 | 168 | -175.6 | -107 | -2.2 | 110.3 | V62 L73 T74 E80 | R60-V62 PolarHBondContact O-N 3.36Å; R60-L73 CarbonylContact O-C 3.51Å; R60-L73 WeakPolarHBondContact O-CA 3.31Å; R60-T74 WeakPolarHBondContact CB-O 3.5Å; R60-T74 PolarHBondContact N-O 3.43Å; R60-T74 PolarHBondContact O-N 3.5Å; R60-T74 PolarHBondContact O-OG1 3.07Å; R60-E80 IonicContact CZ-OE1 3.98Å; R60-E80 VanDerWaalsContact CZ-OE1 3.26Å; R60-E80 IonicContact NE-OE1 2.71Å; R60-E80 PolarHBondContact NE-OE1 3.15Å; R60-E80 IonicContact NE-OE2 2.69Å; R60-E80 PolarHBondContact NE-OE2 3.2Å; R60-E80 IonicContact NH2-OE1 3.71Å; R60-E80 PolarHBondContact NH2-OE1 3.01Å |
| 61 | L | 90.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 128 | 176.4 | -174.8 | 66.4 | 0 | 0 | 0 | 111.1 | I50 F54 V64 F71 L73 | I50-L61 HydrophobicContact CB-CD2 4.38Å; I50-L61 HydrophobicContact CG1-CD2 4.3Å; I50-L61 HydrophobicContact CG2-CD2 3.45Å; I50-L61 VanDerWaalsContact CG2-CD2 3.45Å; F54-L61 HydrophobicContact CB-CB 4.41Å; F54-L61 HydrophobicContact CD2-CB 4.22Å; F54-L61 HydrophobicContact CD2-CD1 4.04Å; F54-L61 HydrophobicContact CD2-CD2 4.34Å; F54-L61 HydrophobicContact CD2-CG 4.44Å; F54-L61 HydrophobicContact CE2-CD1 4.12Å; L61-V64 HydrophobicContact CD1-CG2 4.14Å; L61-V64 HydrophobicContact CD2-CG2 3.88Å; L61-V64 HydrophobicContact CG-CG2 4.43Å; L61-F71 HydrophobicContact CD1-CB 4.32Å; L61-F71 HydrophobicContact CD1-CD1 4.12Å; L61-L73 HydrophobicContact CB-CD2 4.38Å; L61-L73 HydrophobicContact CD1-CD2 3.81Å |
| 62 | V | 88.7 | Confident | 88.3 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 38% | 0.382 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -51.7 | 175 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | K13 R60 V72 T74 | K13-V62 HydrophobicContact CD-CG1 4.34Å; R60-V62 PolarHBondContact O-N 3.36Å; V62-V72 HydrophobicContact CB-CB 4.44Å; V62-V72 HydrophobicContact CB-CG1 4.22Å; V62-V72 WeakPolarHBondContact CB-O 3.39Å; V62-V72 PolarHBondContact N-O 3.01Å; V62-T74 HydrophobicContact CG2-CG2 3.34Å; V62-T74 WeakPolarHBondContact CG2-OG1 3.46Å |
| 63 | S | 87.3 | Confident | 88.6 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 154.7 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | H65 V72 | S63-H65 PolarHBondContact OG-NE2 3.28Å; S63-V72 PolarHBondContact N-O 3.36Å; S63-V72 PolarHBondContact O-N 3.4Å; S63-V72 WeakPolarHBondContact OG-CB 3.42Å; S63-V72 WeakPolarHBondContact OG-CG2 3.2Å |
| 64 | V | 86.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.2 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | L40 E44 I50 L61 F71 | L40-V64 HydrophobicContact CD2-CG1 3.38Å; L40-V64 HydrophobicContact CG-CG1 3.78Å; E44-V64 HydrophobicContact CB-CB 4.15Å; E44-V64 HydrophobicContact CB-CG1 4.14Å; E44-V64 VanDerWaalsContact CD-O 3.22Å; E44-V64 HydrophobicContact CG-CB 4.25Å; E44-V64 WeakPolarHBondContact CG-O 3.45Å; E44-V64 VanDerWaalsContact OE1-O 3.09Å; I50-V64 HydrophobicContact CG2-CG2 4.45Å; L61-V64 HydrophobicContact CD1-CG2 4.14Å; L61-V64 HydrophobicContact CD2-CG2 3.88Å; L61-V64 HydrophobicContact CG-CG2 4.43Å; V64-F71 HydrophobicContact CB-CD1 4.44Å; V64-F71 HydrophobicContact CG1-CD1 4.08Å; V64-F71 HydrophobicContact CG1-CE1 3.81Å; V64-F71 HydrophobicContact CG2-CD1 4Å; V64-F71 HydrophobicContact CG2-CE1 4.12Å |
| 65 | H | 85.7 | Confident | 88.6 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 35% | 0.347 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 96.1 | 175.6 | -68.6 | -50.6 | 0 | 0 | 0 | 109.7 | S63 K68 D69 I70 | S63-H65 PolarHBondContact OG-NE2 3.28Å; H65-K68 HydrophobicContact CB-CB 4.46Å; H65-K68 PolarHBondContact O-N 3.07Å; H65-D69 PolarHBondContact O-N 2.94Å; H65-I70 HydrophobicContact CB-CB 4.49Å; H65-I70 PolarHBondContact N-O 3.06Å; H65-I70 PolarHBondContact O-N 3.42Å; H65-I70 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 81.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -66.3 | -43.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R37 L40 R41 E44 K68 D69 | R37-A66 WeakPolarHBondContact CD-O 3.43Å; R37-A66 HydrophobicContact CG-CB 4.3Å; R37-A66 WeakPolarHBondContact CG-O 3.38Å; R37-A66 PolarHBondContact NE-O 3Å; L40-A66 HydrophobicContact CB-CB 4.31Å; L40-A66 HydrophobicContact CD2-CB 3.6Å; R41-A66 HydrophobicContact CB-CB 4.1Å; R41-A66 HydrophobicContact CG-CB 3.36Å; E44-A66 VanDerWaalsContact OE2-CB 3.29Å; E44-A66 WeakPolarHBondContact OE2-CB 3.45Å; E44-A66 PolarHBondContact OE2-N 3.42Å; A66-K68 PolarHBondContact O-N 3.35Å; A66-D69 PolarHBondContact O-N 3.3Å |
| 67 | E | 79.9 | Confident | 88.5 | Confident | 118 Ų | 118 | 39.9 Ų | 39.9 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -63.8 | -14.9 | 179.5 | -64.7 | -57.7 | 140.4 | 0 | 0 | 114 | R41 | R41-E67 IonicContact CZ-OE1 3.11Å; R41-E67 VanDerWaalsContact CZ-OE1 3.22Å; R41-E67 IonicContact NE-OE1 3.76Å; R41-E67 PolarHBondContact NE-OE1 3.02Å; R41-E67 IonicContact NH2-OE1 2.66Å; R41-E67 PolarHBondContact NH2-OE1 3.35Å; R41-E67 IonicContact NH2-OE2 2.97Å |
| 68 | K | 82.4 | Confident | 88.2 | Confident | 144 Ų | 144 | 40.1 Ų | 40.1 | 63% | 0.626 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -112 | 0.9 | 178.1 | -58.6 | -176.3 | 178.2 | 178.3 | 0 | 113.4 | H65 A66 I70 | H65-K68 HydrophobicContact CB-CB 4.46Å; H65-K68 PolarHBondContact O-N 3.07Å; A66-K68 PolarHBondContact O-N 3.35Å; K68-I70 HydrophobicContact CB-CB 4.33Å; K68-I70 HydrophobicContact CB-CD1 3.82Å; K68-I70 HydrophobicContact CB-CG1 4.29Å; K68-I70 VanDerWaalsContact O-CG1 3.27Å; K68-I70 WeakPolarHBondContact O-CG1 3.48Å; K68-I70 PolarHBondContact O-N 2.91Å |
| 69 | D | 87.1 | Confident | 88 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 39.3 | -175.4 | -48.7 | -57.1 | 0 | 0 | 0 | 113.2 | R17 F18 Q33 R37 H65 A66 | R17-D69 WeakPolarHBondContact CA-O 3.45Å; F18-D69 HydrophobicContact CD1-CB 4.21Å; F18-D69 WeakPolarHBondContact CD1-O 3.44Å; F18-D69 HydrophobicContact CE1-CB 3.75Å; F18-D69 WeakPolarHBondContact CE1-O 3.4Å; F18-D69 HydrophobicContact CZ-CB 3.93Å; F18-D69 PolarHBondContact N-O 2.94Å; Q33-D69 PolarHBondContact NE2-OD1 3.49Å; Q33-D69 PolarHBondContact NE2-OD2 2.95Å; R37-D69 IonicContact CZ-OD1 3.91Å; R37-D69 IonicContact CZ-OD2 3.26Å; R37-D69 IonicContact NE-OD1 3.98Å; R37-D69 PolarHBondContact NE-OD1 3.46Å; R37-D69 IonicContact NE-OD2 3.88Å; R37-D69 VanDerWaalsContact NH2-CG 3.32Å; R37-D69 IonicContact NH2-OD1 3.82Å; R37-D69 PolarHBondContact NH2-OD1 3.26Å; R37-D69 VanDerWaalsContact NH2-OD1 3.14Å; R37-D69 IonicContact NH2-OD2 3.21Å; R37-D69 PolarHBondContact NH2-OD2 3.23Å; H65-D69 PolarHBondContact O-N 2.94Å; A66-D69 PolarHBondContact O-N 3.3Å |
| 70 | I | 88.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | -169.8 | -77.7 | 164.5 | 0 | 0 | 0 | 112.2 | V15 L16 R17 H65 K68 V72 | V15-I70 HydrophobicContact CB-CG2 4.41Å; V15-I70 HydrophobicContact CG1-CB 4.36Å; V15-I70 HydrophobicContact CG1-CD1 3.72Å; V15-I70 HydrophobicContact CG1-CG1 3.77Å; V15-I70 HydrophobicContact CG1-CG2 3.63Å; V15-I70 HydrophobicContact CG2-CG2 4.4Å; L16-I70 CarbonylContact O-C 3.58Å; L16-I70 WeakPolarHBondContact O-CA 3.47Å; R17-I70 HydrophobicContact CB-CG1 4.18Å; R17-I70 HydrophobicContact CG-CG1 4.4Å; H65-I70 HydrophobicContact CB-CB 4.49Å; H65-I70 PolarHBondContact N-O 3.06Å; H65-I70 PolarHBondContact O-N 3.42Å; H65-I70 VanDerWaalsContact O-N 3.15Å; K68-I70 HydrophobicContact CB-CB 4.33Å; K68-I70 HydrophobicContact CB-CD1 3.82Å; K68-I70 HydrophobicContact CB-CG1 4.29Å; K68-I70 VanDerWaalsContact O-CG1 3.27Å; K68-I70 WeakPolarHBondContact O-CG1 3.48Å; K68-I70 PolarHBondContact O-N 2.91Å; I70-V72 HydrophobicContact CG2-CG2 4.04Å |
| 71 | F | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.4 | 160.8 | -59.4 | -75 | 0 | 0 | 0 | 110.4 | L16 F18 L40 I50 F54 L61 V64 L73 L97 | L16-F71 HydrophobicContact CB-CB 4.32Å; L16-F71 HydrophobicContact CD2-CB 4.37Å; L16-F71 HydrophobicContact CD2-CD2 3.61Å; L16-F71 HydrophobicContact CD2-CE2 4.42Å; L16-F71 HydrophobicContact CD2-CG 4.43Å; L16-F71 PolarHBondContact N-O 2.99Å; L16-F71 PolarHBondContact O-N 3.43Å; F18-F71 HydrophobicContact CD1-CD2 4.2Å; F18-F71 AromaticContact CD1-CE2 3.69Å; F18-F71 HydrophobicContact CD1-CE2 3.69Å; F18-F71 HydrophobicContact CE1-CE2 4.08Å; L40-F71 HydrophobicContact CD1-CE1 3.74Å; L40-F71 HydrophobicContact CD1-CE2 3.9Å; L40-F71 HydrophobicContact CD1-CZ 3.21Å; L40-F71 HydrophobicContact CG-CE1 4.35Å; L40-F71 HydrophobicContact CG-CZ 4.25Å; I50-F71 HydrophobicContact CD1-CD1 4.1Å; I50-F71 HydrophobicContact CD1-CE1 3.21Å; I50-F71 HydrophobicContact CD1-CZ 3.62Å; I50-F71 HydrophobicContact CG1-CE1 4.33Å; F54-F71 HydrophobicContact CE2-CB 4.34Å; F54-F71 AromaticContact CE2-CD1 3.82Å; F54-F71 HydrophobicContact CE2-CD1 3.82Å; F54-F71 HydrophobicContact CE2-CD2 4.46Å; F54-F71 HydrophobicContact CE2-CE1 4.19Å; F54-F71 AromaticContact CE2-CG 3.94Å; F54-F71 HydrophobicContact CE2-CG 3.94Å; F54-F71 HydrophobicContact CZ-CB 4.05Å; F54-F71 HydrophobicContact CZ-CD1 4.16Å; F54-F71 HydrophobicContact CZ-CD2 4.01Å; F54-F71 HydrophobicContact CZ-CE2 4.43Å; F54-F71 AromaticContact CZ-CG 3.79Å; F54-F71 HydrophobicContact CZ-CG 3.79Å; L61-F71 HydrophobicContact CD1-CB 4.32Å; L61-F71 HydrophobicContact CD1-CD1 4.12Å; V64-F71 HydrophobicContact CB-CD1 4.44Å; V64-F71 HydrophobicContact CG1-CD1 4.08Å; V64-F71 HydrophobicContact CG1-CE1 3.81Å; V64-F71 HydrophobicContact CG2-CD1 4Å; V64-F71 HydrophobicContact CG2-CE1 4.12Å; F71-L73 HydrophobicContact CB-CD2 4.34Å; F71-L97 HydrophobicContact CE2-CD1 4.1Å; F71-L97 HydrophobicContact CE2-CD2 3.87Å; F71-L97 HydrophobicContact CZ-CD2 4.01Å |
| 72 | V | 89.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.1 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | K13 I14 V62 S63 I70 | K13-V72 HydrophobicContact CB-CG1 3.75Å; K13-V72 HydrophobicContact CD-CG1 3.81Å; K13-V72 HydrophobicContact CG-CG1 4.2Å; I14-V72 CarbonylContact O-C 3.51Å; I14-V72 WeakPolarHBondContact O-CA 3.27Å; V62-V72 HydrophobicContact CB-CB 4.44Å; V62-V72 HydrophobicContact CB-CG1 4.22Å; V62-V72 WeakPolarHBondContact CB-O 3.39Å; V62-V72 PolarHBondContact N-O 3.01Å; S63-V72 PolarHBondContact N-O 3.36Å; S63-V72 PolarHBondContact O-N 3.4Å; S63-V72 WeakPolarHBondContact OG-CB 3.42Å; S63-V72 WeakPolarHBondContact OG-CG2 3.2Å; I70-V72 HydrophobicContact CG2-CG2 4.04Å |
| 73 | L | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 159.7 | -175.4 | -52 | 175.9 | 0 | 0 | 0 | 111.1 | K13 I14 L16 F54 A59 R60 L61 F71 F84 | K13-L73 CarbonylContact C-O 3.56Å; K13-L73 WeakPolarHBondContact CA-O 3.45Å; I14-L73 HydrophobicContact CG2-CB 3.69Å; I14-L73 PolarHBondContact N-O 3.4Å; I14-L73 PolarHBondContact O-N 3.31Å; L16-L73 HydrophobicContact CB-CD1 4.18Å; L16-L73 HydrophobicContact CD1-CD1 4.01Å; F54-L73 HydrophobicContact CD1-CD1 3.97Å; F54-L73 HydrophobicContact CD1-CD2 3.68Å; F54-L73 HydrophobicContact CD1-CG 4.5Å; F54-L73 HydrophobicContact CD2-CD2 4.13Å; F54-L73 HydrophobicContact CE1-CD1 3.73Å; F54-L73 HydrophobicContact CE1-CD2 3.8Å; F54-L73 HydrophobicContact CE1-CG 4.37Å; F54-L73 HydrophobicContact CE2-CD2 4.23Å; F54-L73 HydrophobicContact CG-CD2 3.86Å; F54-L73 HydrophobicContact CZ-CD1 4.5Å; F54-L73 HydrophobicContact CZ-CD2 4.07Å; A59-L73 HydrophobicContact CB-CD1 4.18Å; R60-L73 CarbonylContact O-C 3.51Å; R60-L73 WeakPolarHBondContact O-CA 3.31Å; L61-L73 HydrophobicContact CB-CD2 4.38Å; L61-L73 HydrophobicContact CD1-CD2 3.81Å; F71-L73 HydrophobicContact CB-CD2 4.34Å; L73-F84 HydrophobicContact CD1-CE1 4.47Å; L73-F84 HydrophobicContact CD1-CE2 3.94Å; L73-F84 HydrophobicContact CD1-CZ 3.67Å |
| 74 | T | 91.1 | Very high | 88 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.3 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | K11 P12 K13 R60 V62 | K11-T74 HydrophobicContact CB-CG2 4.47Å; P12-T74 WeakPolarHBondContact O-CG2 3.32Å; K13-T74 HydrophobicContact CB-CG2 4.32Å; K13-T74 HydrophobicContact CG-CG2 3.88Å; R60-T74 WeakPolarHBondContact CB-O 3.5Å; R60-T74 PolarHBondContact N-O 3.43Å; R60-T74 PolarHBondContact O-N 3.5Å; R60-T74 PolarHBondContact O-OG1 3.07Å; V62-T74 HydrophobicContact CG2-CG2 3.34Å; V62-T74 WeakPolarHBondContact CG2-OG1 3.46Å |
| 75 | F | 90.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | trans | -127.3 | 145.2 | 176.4 | -54.3 | -79 | 0 | 0 | 0 | 109.5 | I14 A59 E80 I81 F84 L127 L134 | I14-F75 HydrophobicContact CG2-CE2 3.81Å; I14-F75 HydrophobicContact CG2-CZ 4.45Å; A59-F75 HydrophobicContact CB-CD1 4.45Å; A59-F75 HydrophobicContact CB-CE1 3.69Å; A59-F75 HydrophobicContact CB-CZ 4.32Å; F75-E80 WeakPolarHBondContact CA-OE2 3.41Å; F75-E80 HydrophobicContact CB-CB 4.38Å; F75-E80 HydrophobicContact CD1-CB 3.95Å; F75-I81 HydrophobicContact CB-CD1 4.17Å; F75-I81 HydrophobicContact CB-CG1 3.64Å; F75-I81 HydrophobicContact CD1-CG1 4.05Å; F75-I81 HydrophobicContact CD2-CD1 4.21Å; F75-I81 HydrophobicContact CD2-CG1 3.76Å; F75-I81 HydrophobicContact CE2-CG1 4.42Å; F75-I81 HydrophobicContact CG-CD1 4.31Å; F75-I81 HydrophobicContact CG-CG1 3.54Å; F75-F84 HydrophobicContact CE1-CB 3.73Å; F75-F84 AromaticContact CE1-CD1 3.98Å; F75-F84 HydrophobicContact CE1-CD1 3.98Å; F75-F84 HydrophobicContact CE1-CD2 4.33Å; F75-F84 AromaticContact CE1-CG 3.74Å; F75-F84 HydrophobicContact CE1-CG 3.74Å; F75-F84 HydrophobicContact CZ-CB 4.18Å; F75-F84 AromaticContact CZ-CD1 3.53Å; F75-F84 HydrophobicContact CZ-CD1 3.53Å; F75-F84 HydrophobicContact CZ-CD2 4.47Å; F75-F84 AromaticContact CZ-CE1 3.99Å; F75-F84 HydrophobicContact CZ-CE1 3.99Å; F75-F84 AromaticContact CZ-CG 3.79Å; F75-F84 HydrophobicContact CZ-CG 3.79Å; F75-L127 HydrophobicContact CE2-CD1 3.86Å; F75-L127 HydrophobicContact CZ-CD1 4.39Å; F75-L134 HydrophobicContact CB-CD1 4.33Å | ||
| 76 | K | 88.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 34.8 Ų | 34.8 | 52% | 0.517 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -102.7 | -27.7 | 173.9 | -78.7 | -161.8 | -167.7 | 171.1 | 0 | 113.2 | E80 | K76-E80 PolarHBondContact N-OE2 3.18Š|
| 77 | T | 88.4 | Confident | 88.9 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -130.6 | 155.1 | -174.2 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | E79 E80 I81 | T77-E79 PolarHBondContact O-N 3.26Å; T77-E80 PolarHBondContact O-N 2.69Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 3.45Å; T77-E80 VanDerWaalsContact OG1-N 3.12Å; T77-I81 PolarHBondContact O-N 2.89Å |
| 78 | V | 86.8 | Confident | 89.4 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -30.5 | 169.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | I81 W82 Y131 L134 L135 Q206 | V78-I81 PolarHBondContact O-N 3.03Å; V78-W82 PolarHBondContact O-N 3.01Å; V78-W82 VanDerWaalsContact O-N 3.1Å; V78-Y131 HydrophobicContact CG1-CD2 4.34Å; V78-Y131 HydrophobicContact CG1-CE2 3.68Å; V78-Y131 HydrophobicContact CG2-CE2 4.4Å; V78-L134 HydrophobicContact CG2-CB 4.1Å; V78-L135 HydrophobicContact CG1-CD2 4.41Å; V78-L135 HydrophobicContact CG2-CD2 3.69Å; V78-L135 HydrophobicContact CG2-CG 4.36Å; V78-Q206 HydrophobicContact CG1-CB 4.37Å; V78-Q206 HydrophobicContact CG1-CG 4.09Å |
| 79 | E | 87.5 | Confident | 89.6 | Confident | 85 Ų | 85 | 27.4 Ų | 27.4 | 40% | 0.397 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.8 | -172.8 | 169.1 | 177.1 | 0 | 0 | 113 | T77 W82 K83 | T77-E79 PolarHBondContact O-N 3.26Å; E79-W82 VanDerWaalsContact O-CD1 3.31Å; E79-W82 PolarHBondContact O-N 3.3Å; E79-K83 HydrophobicContact CG-CD 4.41Å; E79-K83 PolarHBondContact O-N 3.14Å; E79-K83 VanDerWaalsContact OE1-CE 3.3Å; E79-K83 WeakPolarHBondContact OE1-CE 3.23Å; E79-K83 IonicContact OE1-NZ 3.2Å; E79-K83 PolarHBondContact OE1-NZ 3.27Å |
| 80 | E | 90.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 176.4 | -76.4 | 174.9 | -169.6 | 0 | 0 | 111.2 | S58 R60 F75 K76 T77 F84 | S58-E80 VanDerWaalsContact O-CB 3.25Å; S58-E80 WeakPolarHBondContact O-CB 3.4Å; R60-E80 IonicContact CZ-OE1 3.98Å; R60-E80 VanDerWaalsContact CZ-OE1 3.26Å; R60-E80 IonicContact NE-OE1 2.71Å; R60-E80 PolarHBondContact NE-OE1 3.15Å; R60-E80 IonicContact NE-OE2 2.69Å; R60-E80 PolarHBondContact NE-OE2 3.2Å; R60-E80 IonicContact NH2-OE1 3.71Å; R60-E80 PolarHBondContact NH2-OE1 3.01Å; F75-E80 WeakPolarHBondContact CA-OE2 3.41Å; F75-E80 HydrophobicContact CB-CB 4.38Å; F75-E80 HydrophobicContact CD1-CB 3.95Å; K76-E80 PolarHBondContact N-OE2 3.18Å; T77-E80 PolarHBondContact O-N 2.69Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 3.45Å; T77-E80 VanDerWaalsContact OG1-N 3.12Å; E80-F84 VanDerWaalsContact O-CB 3.27Å; E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 2.91Å |
| 81 | I | 89 | Confident | 89.7 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 179.4 | -66.6 | -174.5 | 0 | 0 | 0 | 111.9 | F75 T77 V78 F84 S85 L127 L130 Y131 L134 P203 | F75-I81 HydrophobicContact CB-CD1 4.17Å; F75-I81 HydrophobicContact CB-CG1 3.64Å; F75-I81 HydrophobicContact CD1-CG1 4.05Å; F75-I81 HydrophobicContact CD2-CD1 4.21Å; F75-I81 HydrophobicContact CD2-CG1 3.76Å; F75-I81 HydrophobicContact CE2-CG1 4.42Å; F75-I81 HydrophobicContact CG-CD1 4.31Å; F75-I81 HydrophobicContact CG-CG1 3.54Å; T77-I81 PolarHBondContact O-N 2.89Å; V78-I81 PolarHBondContact O-N 3.03Å; I81-F84 PolarHBondContact O-N 3.28Å; I81-S85 WeakPolarHBondContact O-CB 3.4Å; I81-S85 PolarHBondContact O-N 2.83Å; I81-S85 PolarHBondContact O-OG 2.93Å; I81-L127 HydrophobicContact CG2-CD1 4.48Å; I81-L130 HydrophobicContact CD1-CB 4.49Å; I81-Y131 HydrophobicContact CG2-CD2 4.37Å; I81-L134 HydrophobicContact CD1-CD1 3.53Å; I81-L134 HydrophobicContact CG1-CD1 4.21Å; I81-P203 HydrophobicContact CG2-CG 4.27Å |
| 82 | W | 88.5 | Confident | 89.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -39.8 | -176.1 | 84.6 | -114.5 | 0 | 0 | 0 | 112.3 | V78 E79 S85 T86 P203 F204 W207 P619 E622 | V78-W82 PolarHBondContact O-N 3.01Å; V78-W82 VanDerWaalsContact O-N 3.1Å; E79-W82 VanDerWaalsContact O-CD1 3.31Å; E79-W82 PolarHBondContact O-N 3.3Å; W82-S85 PolarHBondContact O-OG 2.93Å; W82-S85 VanDerWaalsContact O-OG 3.08Å; W82-T86 WeakPolarHBondContact O-CB 3.17Å; W82-T86 PolarHBondContact O-N 3.34Å; W82-T86 PolarHBondContact O-OG1 3.41Å; W82-P203 HydrophobicContact CB-CB 3.32Å; W82-P203 HydrophobicContact CB-CG 4.49Å; W82-F204 HydrophobicContact CE3-CD2 4.43Å; W82-F204 HydrophobicContact CZ3-CD2 4.41Å; W82-W207 HydrophobicContact CZ2-CD2 4.37Å; W82-W207 AromaticContact NE1-CD1 3.55Å; W82-W207 AromaticContact NE1-CG 3.5Å; W82-P619 HydrophobicContact CH2-CB 3.92Å; W82-P619 HydrophobicContact CH2-CG 4.38Å; W82-P619 HydrophobicContact CZ2-CB 4.41Å; W82-E622 WeakPolarHBondContact CH2-OE2 3.44Å; W82-E622 WeakPolarHBondContact CZ3-OE2 3.34Å |
| 83 | K | 90.8 | Very high | 90 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | 176.6 | -72.4 | -179 | -174.1 | 169 | 0 | 110.2 | S58 E79 S85 T86 Y87 | S58-K83 WeakPolarHBondContact OG-CD 3.49Å; E79-K83 HydrophobicContact CG-CD 4.41Å; E79-K83 PolarHBondContact O-N 3.14Å; E79-K83 VanDerWaalsContact OE1-CE 3.3Å; E79-K83 WeakPolarHBondContact OE1-CE 3.23Å; E79-K83 IonicContact OE1-NZ 3.2Å; E79-K83 PolarHBondContact OE1-NZ 3.27Å; K83-S85 PolarHBondContact O-N 3.48Å; K83-T86 WeakPolarHBondContact O-CB 3.42Å; K83-T86 PolarHBondContact O-N 3.49Å; K83-Y87 HydrophobicContact CB-CE2 3.92Å; K83-Y87 VanDerWaalsContact O-CD2 3.27Å; K83-Y87 WeakPolarHBondContact O-CD2 2.93Å; K83-Y87 PolarHBondContact O-N 3.25Å |
| 84 | F | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 179.5 | -177.7 | -96.1 | 0 | 0 | 0 | 112.5 | L16 L57 A59 L73 F75 E80 I81 T86 Y87 L88 V93 | L16-F84 HydrophobicContact CD1-CE1 4.42Å; L16-F84 HydrophobicContact CD1-CE2 4.44Å; L16-F84 HydrophobicContact CD1-CZ 3.57Å; L57-F84 HydrophobicContact CB-CD2 4.25Å; L57-F84 HydrophobicContact CB-CE2 4.5Å; L57-F84 WeakPolarHBondContact O-CD2 3.18Å; A59-F84 HydrophobicContact CB-CD2 3.66Å; A59-F84 HydrophobicContact CB-CE2 3.91Å; A59-F84 HydrophobicContact CB-CG 4.35Å; L73-F84 HydrophobicContact CD1-CE1 4.47Å; L73-F84 HydrophobicContact CD1-CE2 3.94Å; L73-F84 HydrophobicContact CD1-CZ 3.67Å; F75-F84 HydrophobicContact CE1-CB 3.73Å; F75-F84 AromaticContact CE1-CD1 3.98Å; F75-F84 HydrophobicContact CE1-CD1 3.98Å; F75-F84 HydrophobicContact CE1-CD2 4.33Å; F75-F84 AromaticContact CE1-CG 3.74Å; F75-F84 HydrophobicContact CE1-CG 3.74Å; F75-F84 HydrophobicContact CZ-CB 4.18Å; F75-F84 AromaticContact CZ-CD1 3.53Å; F75-F84 HydrophobicContact CZ-CD1 3.53Å; F75-F84 HydrophobicContact CZ-CD2 4.47Å; F75-F84 AromaticContact CZ-CE1 3.99Å; F75-F84 HydrophobicContact CZ-CE1 3.99Å; F75-F84 AromaticContact CZ-CG 3.79Å; F75-F84 HydrophobicContact CZ-CG 3.79Å; E80-F84 VanDerWaalsContact O-CB 3.27Å; E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 2.91Å; I81-F84 PolarHBondContact O-N 3.28Å; F84-T86 VanDerWaalsContact C-N 3.3Å; F84-T86 PolarHBondContact O-N 2.97Å; F84-Y87 PolarHBondContact O-N 2.82Å; F84-L88 WeakPolarHBondContact O-CB 3.35Å; F84-L88 PolarHBondContact O-N 2.83Å; F84-V93 HydrophobicContact CE2-CG2 4.15Å |
| 85 | S | 89.4 | Confident | 89.8 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -35.4 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | I81 W82 K83 L88 S89 | I81-S85 WeakPolarHBondContact O-CB 3.4Å; I81-S85 PolarHBondContact O-N 2.83Å; I81-S85 PolarHBondContact O-OG 2.93Å; W82-S85 PolarHBondContact O-OG 2.93Å; W82-S85 VanDerWaalsContact O-OG 3.08Å; K83-S85 PolarHBondContact O-N 3.48Å; S85-L88 PolarHBondContact O-N 3.3Å; S85-S89 WeakPolarHBondContact O-CB 3.28Å; S85-S89 PolarHBondContact O-N 3.23Å; S85-S89 PolarHBondContact O-OG 3.44Å |
| 86 | T | 89.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -50.4 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | W82 K83 F84 L88 S89 L90 E622 | W82-T86 WeakPolarHBondContact O-CB 3.17Å; W82-T86 PolarHBondContact O-N 3.34Å; W82-T86 PolarHBondContact O-OG1 3.41Å; K83-T86 WeakPolarHBondContact O-CB 3.42Å; K83-T86 PolarHBondContact O-N 3.49Å; F84-T86 VanDerWaalsContact C-N 3.3Å; F84-T86 PolarHBondContact O-N 2.97Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 2.97Å; T86-S89 PolarHBondContact O-N 3.36Å; T86-S89 VanDerWaalsContact O-N 3.16Å; T86-S89 PolarHBondContact O-OG 2.97Å; T86-L90 HydrophobicContact CG2-CD1 3.93Å; T86-L90 HydrophobicContact CG2-CG 4.37Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 WeakPolarHBondContact O-CG 3.28Å; T86-L90 PolarHBondContact O-N 3.04Å; T86-E622 HydrophobicContact CG2-CB 4.19Å |
| 87 | Y | 92.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -35.3 | 177.3 | -57 | -26.7 | 0 | 0 | 0 | 113.2 | L57 K83 F84 G91 F92 V93 E622 Y652 L660 | L57-Y87 HydrophobicContact CD2-CD2 4.18Å; K83-Y87 HydrophobicContact CB-CE2 3.92Å; K83-Y87 VanDerWaalsContact O-CD2 3.27Å; K83-Y87 WeakPolarHBondContact O-CD2 2.93Å; K83-Y87 PolarHBondContact O-N 3.25Å; F84-Y87 PolarHBondContact O-N 2.82Å; Y87-G91 PolarHBondContact O-N 3.14Å; Y87-F92 AromaticContact CD1-CD2 3.97Å; Y87-F92 HydrophobicContact CD1-CD2 3.97Å; Y87-F92 PolarHBondContact O-N 2.86Å; Y87-V93 PolarHBondContact O-N 3.39Å; Y87-E622 WeakPolarHBondContact CE1-OE1 3.22Å; Y87-E622 PolarHBondContact OH-OE1 3.04Å; Y87-Y652 HydrophobicContact CE1-CE1 4.45Å; Y87-Y652 WeakPolarHBondContact CE1-OH 3.5Å; Y87-L660 HydrophobicContact CD1-CD2 4.25Å; Y87-L660 HydrophobicContact CD2-CD1 4.4Å; Y87-L660 HydrophobicContact CD2-CD2 4.19Å; Y87-L660 HydrophobicContact CE1-CD1 4.19Å; Y87-L660 HydrophobicContact CE1-CD2 4.44Å; Y87-L660 HydrophobicContact CE2-CD1 3.76Å; Y87-L660 HydrophobicContact CE2-CD2 4.36Å; Y87-L660 HydrophobicContact CG-CD2 4.13Å |
| 88 | L | 90.9 | Very high | 89.9 | Confident | 41 Ų | 41 | 21.9 Ų | 21.9 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -48.1 | 174.5 | -177.1 | 67.6 | 0 | 0 | 0 | 110.6 | F84 S85 T86 L90 G91 V93 V120 V122 | F84-L88 WeakPolarHBondContact O-CB 3.35Å; F84-L88 PolarHBondContact O-N 2.83Å; S85-L88 PolarHBondContact O-N 3.3Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 2.97Å; L88-L90 VanDerWaalsContact C-N 3.3Å; L88-L90 PolarHBondContact O-N 2.93Å; L88-G91 PolarHBondContact O-N 3.06Å; L88-G91 VanDerWaalsContact O-N 3.13Å; L88-V93 HydrophobicContact CB-CG2 4.18Å; L88-V93 HydrophobicContact CD1-CB 4.26Å; L88-V93 HydrophobicContact CD1-CG2 4.35Å; L88-V120 HydrophobicContact CD1-CB 4.26Å; L88-V120 HydrophobicContact CD1-CG1 3.77Å; L88-V122 HydrophobicContact CD1-CG2 4.26Å; L88-V122 HydrophobicContact CD2-CB 3.92Å; L88-V122 HydrophobicContact CD2-CG2 3.64Å |
| 89 | S | 87.4 | Confident | 89.8 | Confident | 64 Ų | 64 | 23.1 Ų | 23.1 | 45% | 0.448 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.6 | -28.8 | 179.9 | 67.5 | 0 | 0 | 0 | 0 | 114 | S85 T86 G91 F626 | S85-S89 WeakPolarHBondContact O-CB 3.28Å; S85-S89 PolarHBondContact O-N 3.23Å; S85-S89 PolarHBondContact O-OG 3.44Å; T86-S89 PolarHBondContact O-N 3.36Å; T86-S89 VanDerWaalsContact O-N 3.16Å; T86-S89 PolarHBondContact O-OG 2.97Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-F626 VanDerWaalsContact OG-CD2 3.25Å; S89-F626 WeakPolarHBondContact OG-CD2 3.44Å; S89-F626 WeakPolarHBondContact OG-CE2 3.41Å |
| 90 | L | 87.9 | Confident | 89.6 | Confident | 25 Ų | 25 | 20.8 Ų | 20.8 | 13% | 0.131 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.5 | 175.7 | -65.9 | 179.7 | 0 | 0 | 0 | 113.1 | T86 L88 F92 Q625 F626 | T86-L90 HydrophobicContact CG2-CD1 3.93Å; T86-L90 HydrophobicContact CG2-CG 4.37Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 WeakPolarHBondContact O-CG 3.28Å; T86-L90 PolarHBondContact O-N 3.04Å; L88-L90 VanDerWaalsContact C-N 3.3Å; L88-L90 PolarHBondContact O-N 2.93Å; L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 HydrophobicContact CB-CD1 4.25Å; L90-F92 HydrophobicContact CB-CD2 4.27Å; L90-F92 HydrophobicContact CB-CE1 4.23Å; L90-F92 HydrophobicContact CB-CE2 4.24Å; L90-F92 HydrophobicContact CB-CG 4.28Å; L90-F92 HydrophobicContact CB-CZ 4.22Å; L90-F92 HydrophobicContact CD1-CD2 4.39Å; L90-F92 HydrophobicContact CD1-CE2 3.81Å; L90-F92 HydrophobicContact CD1-CZ 4.09Å; L90-F92 PolarHBondContact O-N 3.24Å; L90-Q625 HydrophobicContact CD1-CB 4.5Å; L90-Q625 HydrophobicContact CD1-CG 4.32Å; L90-Q625 HydrophobicContact CD2-CB 4.26Å; L90-Q625 HydrophobicContact CD2-CG 3.68Å; L90-F626 HydrophobicContact CD2-CB 4.47Å |
| 91 | G | 89.3 | Confident | 89.3 | Confident | 28 Ų | 28 | 19.5 Ų | 19.5 | 29% | 0.289 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y87 L88 S89 V93 A94 R95 | Y87-G91 PolarHBondContact O-N 3.14Å; L88-G91 PolarHBondContact O-N 3.06Å; L88-G91 VanDerWaalsContact O-N 3.13Å; S89-G91 VanDerWaalsContact C-N 3.31Å; G91-V93 VanDerWaalsContact C-N 3.29Å; G91-V93 PolarHBondContact O-N 3.14Å; G91-A94 PolarHBondContact O-N 2.96Å; G91-R95 PolarHBondContact O-N 3.39Å |
| 92 | F | 92.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | -179.4 | -64.4 | -14 | 0 | 0 | 0 | 112.6 | Y87 L90 A94 R95 C96 L648 Y652 L660 A663 L667 | Y87-F92 AromaticContact CD1-CD2 3.97Å; Y87-F92 HydrophobicContact CD1-CD2 3.97Å; Y87-F92 PolarHBondContact O-N 2.86Å; L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 HydrophobicContact CB-CD1 4.25Å; L90-F92 HydrophobicContact CB-CD2 4.27Å; L90-F92 HydrophobicContact CB-CE1 4.23Å; L90-F92 HydrophobicContact CB-CE2 4.24Å; L90-F92 HydrophobicContact CB-CG 4.28Å; L90-F92 HydrophobicContact CB-CZ 4.22Å; L90-F92 HydrophobicContact CD1-CD2 4.39Å; L90-F92 HydrophobicContact CD1-CE2 3.81Å; L90-F92 HydrophobicContact CD1-CZ 4.09Å; L90-F92 PolarHBondContact O-N 3.24Å; F92-A94 PolarHBondContact O-N 3.4Å; F92-R95 PolarHBondContact O-N 3.43Å; F92-C96 WeakPolarHBondContact O-CB 3.46Å; F92-C96 PolarHBondContact O-N 2.91Å; F92-C96 PolarHBondContact O-SG 3.37Å; F92-L648 HydrophobicContact CE2-CD1 4.46Å; F92-L648 HydrophobicContact CZ-CD1 4.09Å; F92-Y652 HydrophobicContact CD2-CE2 4.48Å; F92-Y652 AromaticContact CE2-CE2 3.94Å; F92-Y652 HydrophobicContact CE2-CE2 3.94Å; F92-L660 HydrophobicContact CB-CD2 4.04Å; F92-L660 HydrophobicContact CD2-CD2 4.1Å; F92-L660 HydrophobicContact CG-CD2 4.45Å; F92-A663 HydrophobicContact CB-CB 4.42Å; F92-L667 HydrophobicContact CD1-CD1 3.66Å; F92-L667 HydrophobicContact CE1-CD1 3.87Å |
| 93 | V | 93.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L16 L57 F84 Y87 L88 G91 C96 L97 V120 | L16-V93 HydrophobicContact CD1-CG1 4.13Å; L57-V93 HydrophobicContact CD1-CB 4.45Å; L57-V93 HydrophobicContact CD1-CG1 4.11Å; L57-V93 HydrophobicContact CD1-CG2 4.21Å; L57-V93 HydrophobicContact CD2-CG2 4.09Å; F84-V93 HydrophobicContact CE2-CG2 4.15Å; Y87-V93 PolarHBondContact O-N 3.39Å; L88-V93 HydrophobicContact CB-CG2 4.18Å; L88-V93 HydrophobicContact CD1-CB 4.26Å; L88-V93 HydrophobicContact CD1-CG2 4.35Å; G91-V93 VanDerWaalsContact C-N 3.29Å; G91-V93 PolarHBondContact O-N 3.14Å; V93-C96 PolarHBondContact O-N 3.11Å; V93-L97 HydrophobicContact CG1-CD1 4.44Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.42Å; V93-L97 VanDerWaalsContact O-N 3.08Å; V93-V120 HydrophobicContact CG1-CG1 4.13Å; V93-V120 HydrophobicContact CG1-CG2 4.49Å |
| 94 | A | 90.8 | Very high | 87.7 | Confident | 17 Ų | 17 | 24.6 Ų | 24.6 | 14% | 0.14 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | G91 F92 C96 L97 E98 I118 V120 | G91-A94 PolarHBondContact O-N 2.96Å; F92-A94 PolarHBondContact O-N 3.4Å; A94-C96 PolarHBondContact O-N 3.27Å; A94-L97 CarbonylContact O-C 3.55Å; A94-L97 WeakPolarHBondContact O-CA 3.41Å; A94-L97 WeakPolarHBondContact O-CB 3.22Å; A94-L97 PolarHBondContact O-N 2.98Å; A94-L97 VanDerWaalsContact O-N 3.09Å; A94-E98 PolarHBondContact O-N 3.47Å; A94-I118 WeakPolarHBondContact CB-O 3.47Å; A94-V120 HydrophobicContact CB-CG2 3.87Å |
| 95 | R | 90.3 | Very high | 86.9 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -34.5 | -177.5 | -156.9 | 59 | 147.2 | 164.1 | -1.7 | 113.6 | G91 F92 L97 E98 N99 A663 S666 L667 | G91-R95 PolarHBondContact O-N 3.39Å; F92-R95 PolarHBondContact O-N 3.43Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-E98 WeakPolarHBondContact CD-OE2 3.4Å; R95-E98 IonicContact CZ-OE2 2.74Å; R95-E98 IonicContact NE-OE2 3.8Å; R95-E98 IonicContact NH1-OE2 3.93Å; R95-E98 PolarHBondContact NH1-OE2 3.21Å; R95-E98 PolarHBondContact O-N 2.69Å; R95-N99 PolarHBondContact O-N 3.09Å; R95-N99 PolarHBondContact O-ND2 3.45Å; R95-A663 HydrophobicContact CB-CB 3.96Å; R95-A663 HydrophobicContact CG-CB 4.23Å; R95-S666 WeakPolarHBondContact CD-OG 3.28Å; R95-S666 WeakPolarHBondContact CG-OG 3.33Å; R95-S666 PolarHBondContact NE-OG 3.1Å; R95-S666 PolarHBondContact NH2-O 3.12Å; R95-L667 HydrophobicContact CB-CD1 4.49Å; R95-L667 HydrophobicContact CG-CG 4.24Å |
| 96 | C | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 168.1 | -75.8 | 0 | 0 | 0 | 0 | 111.4 | L53 L57 F92 V93 A94 N99 F100 Y659 A663 | L53-C96 HydrophobicContact CD1-CB 4.23Å; L53-C96 HydrophobicContact CG-CB 4.46Å; L57-C96 HydrophobicContact CD1-CB 4.44Å; F92-C96 WeakPolarHBondContact O-CB 3.46Å; F92-C96 PolarHBondContact O-N 2.91Å; F92-C96 PolarHBondContact O-SG 3.37Å; V93-C96 PolarHBondContact O-N 3.11Å; A94-C96 PolarHBondContact O-N 3.27Å; C96-N99 PolarHBondContact O-N 3.1Å; C96-F100 WeakPolarHBondContact O-CB 3.29Å; C96-F100 PolarHBondContact O-N 3.3Å; C96-F100 VanDerWaalsContact O-N 3.09Å; C96-Y659 PolarHBondContact SG-O 2.85Å; C96-A663 VanDerWaalsContact SG-CB 3.59Å |
| 97 | L | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | 176.7 | -69.6 | 175.9 | 0 | 0 | 0 | 112.1 | L16 F18 L53 F54 F71 V93 A94 R95 F100 L101 V120 | L16-L97 HydrophobicContact CD2-CD1 4.3Å; F18-L97 HydrophobicContact CB-CD1 4.37Å; L53-L97 HydrophobicContact CD2-CD2 4.32Å; F54-L97 HydrophobicContact CZ-CD2 4.45Å; F71-L97 HydrophobicContact CE2-CD1 4.1Å; F71-L97 HydrophobicContact CE2-CD2 3.87Å; F71-L97 HydrophobicContact CZ-CD2 4.01Å; V93-L97 HydrophobicContact CG1-CD1 4.44Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 3.42Å; V93-L97 VanDerWaalsContact O-N 3.08Å; A94-L97 CarbonylContact O-C 3.55Å; A94-L97 WeakPolarHBondContact O-CA 3.41Å; A94-L97 WeakPolarHBondContact O-CB 3.22Å; A94-L97 PolarHBondContact O-N 2.98Å; A94-L97 VanDerWaalsContact O-N 3.09Å; R95-L97 VanDerWaalsContact C-N 3.33Å; L97-F100 PolarHBondContact O-N 2.93Å; L97-L101 HydrophobicContact CB-CD1 4.25Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.43Å; L97-V120 HydrophobicContact CD1-CG2 3.82Å |
| 98 | E | 87.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 172.3 | -75.4 | 175.8 | -176.9 | 0 | 0 | 111.3 | A94 R95 F100 C102 I118 | A94-E98 PolarHBondContact O-N 3.47Å; R95-E98 WeakPolarHBondContact CD-OE2 3.4Å; R95-E98 IonicContact CZ-OE2 2.74Å; R95-E98 IonicContact NE-OE2 3.8Å; R95-E98 IonicContact NH1-OE2 3.93Å; R95-E98 PolarHBondContact NH1-OE2 3.21Å; R95-E98 PolarHBondContact O-N 2.69Å; E98-F100 PolarHBondContact O-N 2.78Å; E98-C102 WeakPolarHBondContact O-CB 3.18Å; E98-C102 PolarHBondContact O-N 2.81Å; E98-C102 PolarHBondContact O-SG 2.96Å; E98-I118 HydrophobicContact CB-CD1 4.19Å; E98-I118 HydrophobicContact CG-CB 3.7Å; E98-I118 HydrophobicContact CG-CD1 3.4Å; E98-I118 VanDerWaalsContact CG-CD1 3.4Å; E98-I118 HydrophobicContact CG-CG1 3.48Å; E98-I118 VanDerWaalsContact CG-CG1 3.48Å; E98-I118 PolarHBondContact OE1-N 3.04Å |
| 99 | N | 84.3 | Confident | 85.3 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -30.4 | 177.3 | -74.5 | -26 | 0 | 0 | 0 | 113 | R95 C96 W107 | R95-N99 PolarHBondContact O-N 3.09Å; R95-N99 PolarHBondContact O-ND2 3.45Å; C96-N99 PolarHBondContact O-N 3.1Å; N99-W107 VanDerWaalsContact OD1-CH2 3.23Å; N99-W107 WeakPolarHBondContact OD1-CH2 3.26Å |
| 100 | F | 84.2 | Confident | 84.7 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 16% | 0.158 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -88.8 | -41.7 | -177.2 | -175.9 | -94.7 | 0 | 0 | 0 | 113.8 | V43 D49 I50 L53 C96 L97 E98 Y659 | V43-F100 HydrophobicContact CB-CE1 4.37Å; V43-F100 HydrophobicContact CG1-CE1 3.98Å; V43-F100 HydrophobicContact CG1-CZ 4Å; V43-F100 HydrophobicContact CG2-CE1 3.65Å; V43-F100 HydrophobicContact CG2-CZ 3.75Å; D49-F100 HydrophobicContact CB-CE2 3.95Å; D49-F100 HydrophobicContact CB-CZ 4.32Å; I50-F100 HydrophobicContact CB-CE1 4.06Å; I50-F100 HydrophobicContact CB-CE2 4.43Å; I50-F100 HydrophobicContact CB-CZ 3.76Å; I50-F100 HydrophobicContact CD1-CD1 4.24Å; I50-F100 HydrophobicContact CD1-CE1 3.72Å; I50-F100 HydrophobicContact CD1-CZ 4.3Å; I50-F100 HydrophobicContact CG1-CE1 4.19Å; I50-F100 HydrophobicContact CG1-CZ 4.34Å; L53-F100 HydrophobicContact CD1-CB 3.63Å; L53-F100 HydrophobicContact CD1-CD2 4Å; L53-F100 HydrophobicContact CD1-CG 3.83Å; C96-F100 WeakPolarHBondContact O-CB 3.29Å; C96-F100 PolarHBondContact O-N 3.3Å; C96-F100 VanDerWaalsContact O-N 3.09Å; L97-F100 PolarHBondContact O-N 2.93Å; E98-F100 PolarHBondContact O-N 2.78Å; F100-Y659 HydrophobicContact CD2-CE1 4.49Å |
| 101 | L | 83.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -88.6 | -29.9 | -173.2 | -63.4 | 174.9 | 0 | 0 | 0 | 112.9 | F18 L36 R39 L40 L97 D103 | F18-L101 HydrophobicContact CD2-CD1 4.27Å; F18-L101 HydrophobicContact CE2-CD1 4.09Å; F18-L101 HydrophobicContact CZ-CD1 4.44Å; L36-L101 HydrophobicContact CD2-CB 3.84Å; R39-L101 WeakPolarHBondContact CG-O 3.48Å; L40-L101 HydrophobicContact CD1-CD1 4.36Å; L40-L101 HydrophobicContact CD1-CD2 3.95Å; L97-L101 HydrophobicContact CB-CD1 4.25Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.43Å; L101-D103 PolarHBondContact O-N 3.46Å |
| 102 | C | 81.4 | Confident | 83.3 | Confident | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -73.7 | 129.8 | -176.8 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | E98 F106 W107 L116 | E98-C102 WeakPolarHBondContact O-CB 3.18Å; E98-C102 PolarHBondContact O-N 2.81Å; E98-C102 PolarHBondContact O-SG 2.96Å; C102-F106 HydrophobicContact CB-CB 4.2Å; C102-F106 HydrophobicContact CB-CG 4.47Å; C102-W107 HydrophobicContact CB-CZ2 4Å; C102-W107 PolarHBondContact O-NE1 3.4Å; C102-L116 WeakPolarHBondContact SG-CD2 3.43Å |
| 103 | D | 75 | Confident | 82.6 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | trans | -69.7 | 159.9 | 174.4 | -80.5 | -33.2 | 0 | 0 | 0 | 112.9 | R39 L101 S105 F106 | R39-D103 WeakPolarHBondContact CD-OD1 3.38Å; R39-D103 IonicContact CZ-OD1 3.07Å; R39-D103 IonicContact NE-OD1 2.67Å; R39-D103 PolarHBondContact NE-OD1 3.14Å; R39-D103 IonicContact NH1-OD1 3.67Å; R39-D103 IonicContact NH2-OD1 3.6Å; R39-D103 PolarHBondContact NH2-OD1 3.36Å; L101-D103 PolarHBondContact O-N 3.46Å; D103-S105 PolarHBondContact O-N 3.5Å; D103-S105 VanDerWaalsContact O-N 3.09Å; D103-F106 HydrophobicContact CB-CD2 4.21Å; D103-F106 WeakPolarHBondContact O-CB 3.49Å; D103-F106 PolarHBondContact O-N 3.12Å | ||
| 104 | Q | 78.6 | Confident | 81.6 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -52.3 | -34.4 | 177.4 | -65.4 | 171.6 | 0.2 | 0 | 0 | 112.1 | F106 W107 L108 A705 Y741 | Q104-F106 VanDerWaalsContact C-N 3.33Å; Q104-F106 PolarHBondContact O-N 3.33Å; Q104-W107 PolarHBondContact O-N 3.24Å; Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.47Å; Q104-L108 PolarHBondContact O-N 3.2Å; Q104-A705 HydrophobicContact CB-CB 4.11Å; Q104-A705 HydrophobicContact CG-CB 4.34Å; Q104-Y741 HydrophobicContact CB-CD1 4.44Å; Q104-Y741 HydrophobicContact CB-CE1 4.49Å; Q104-Y741 HydrophobicContact CG-CE1 4.14Å |
| 105 | S | 75.9 | Confident | 81 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -36.8 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | D103 L108 | D103-S105 PolarHBondContact O-N 3.5Å; D103-S105 VanDerWaalsContact O-N 3.09Å; S105-L108 PolarHBondContact O-N 3.44Å |
| 106 | F | 79.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.4 | -77.2 | -87 | 0 | 0 | 0 | 110.3 | L32 A35 C102 D103 Q104 L108 D109 L113 | L32-F106 HydrophobicContact CD1-CE1 3.76Å; L32-F106 HydrophobicContact CD1-CZ 3.91Å; A35-F106 HydrophobicContact CB-CZ 4.42Å; C102-F106 HydrophobicContact CB-CB 4.2Å; C102-F106 HydrophobicContact CB-CG 4.47Å; D103-F106 HydrophobicContact CB-CD2 4.21Å; D103-F106 WeakPolarHBondContact O-CB 3.49Å; D103-F106 PolarHBondContact O-N 3.12Å; Q104-F106 VanDerWaalsContact C-N 3.33Å; Q104-F106 PolarHBondContact O-N 3.33Å; F106-L108 PolarHBondContact O-N 3.15Å; F106-D109 PolarHBondContact O-N 3.48Å; F106-L113 HydrophobicContact CB-CD2 4.48Å; F106-L113 VanDerWaalsContact O-CG 3.26Å; F106-L113 WeakPolarHBondContact O-CG 3.32Å |
| 107 | W | 83.9 | Confident | 80.1 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -25.6 | -177.9 | -61.7 | 108.9 | 0 | 0 | 0 | 114.2 | N99 C102 Q104 D109 L113 A705 Q706 V709 | N99-W107 VanDerWaalsContact OD1-CH2 3.23Å; N99-W107 WeakPolarHBondContact OD1-CH2 3.26Å; C102-W107 HydrophobicContact CB-CZ2 4Å; C102-W107 PolarHBondContact O-NE1 3.4Å; Q104-W107 PolarHBondContact O-N 3.24Å; W107-D109 PolarHBondContact O-N 2.94Å; W107-L113 HydrophobicContact CD2-CD2 4.08Å; W107-L113 HydrophobicContact CE3-CD1 4.08Å; W107-L113 HydrophobicContact CE3-CD2 3.58Å; W107-L113 HydrophobicContact CE3-CG 4.5Å; W107-L113 HydrophobicContact CZ3-CD2 3.83Å; W107-A705 HydrophobicContact CB-CB 3.85Å; W107-Q706 HydrophobicContact CB-CG 4.48Å; W107-Q706 HydrophobicContact CD2-CB 4.3Å; W107-Q706 HydrophobicContact CD2-CG 3.49Å; W107-Q706 VanDerWaalsContact CD2-CG 3.49Å; W107-Q706 HydrophobicContact CE3-CB 4.21Å; W107-Q706 HydrophobicContact CE3-CG 3.78Å; W107-Q706 HydrophobicContact CG-CG 3.77Å; W107-Q706 HydrophobicContact CH2-CG 4.4Å; W107-Q706 HydrophobicContact CZ2-CG 4.16Å; W107-Q706 HydrophobicContact CZ3-CG 4.21Å; W107-V709 HydrophobicContact CE3-CG2 4.36Å |
| 108 | L | 84.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.2 | 175.5 | -59.2 | 171.4 | 0 | 0 | 0 | 112.4 | Q104 S105 F106 A705 V708 Y738 Y741 A743 K746 | Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.47Å; Q104-L108 PolarHBondContact O-N 3.2Å; S105-L108 PolarHBondContact O-N 3.44Å; F106-L108 PolarHBondContact O-N 3.15Å; L108-A705 HydrophobicContact CD2-CB 4.1Å; L108-A705 HydrophobicContact CG-CB 4.39Å; L108-V708 HydrophobicContact CD2-CG2 4.07Å; L108-Y738 HydrophobicContact CB-CD1 4.42Å; L108-Y738 HydrophobicContact CB-CE1 4.05Å; L108-Y738 HydrophobicContact CD2-CD1 3.88Å; L108-Y738 HydrophobicContact CD2-CE1 3.98Å; L108-Y738 WeakPolarHBondContact O-CE1 3.35Å; L108-Y741 HydrophobicContact CD1-CG 4.19Å; L108-Y741 HydrophobicContact CD2-CD2 3.99Å; L108-Y741 HydrophobicContact CD2-CG 4.23Å; L108-A743 HydrophobicContact CD1-CB 4.25Å; L108-K746 WeakPolarHBondContact O-CD 3.5Å; L108-K746 PolarHBondContact O-NZ 3.46Å |
| 109 | D | 81.1 | Confident | 79.8 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -120.6 | 96.3 | -176 | -153.9 | 1.7 | 0 | 0 | 0 | 113.9 | F106 W107 E111 L112 L113 K746 | F106-D109 PolarHBondContact O-N 3.48Å; W107-D109 PolarHBondContact O-N 2.94Å; D109-E111 PolarHBondContact O-N 2.95Å; D109-L112 HydrophobicContact CB-CB 4.12Å; D109-L112 HydrophobicContact CB-CD1 3.9Å; D109-L112 HydrophobicContact CB-CG 4.13Å; D109-L112 PolarHBondContact O-N 3.4Å; D109-L112 WeakPolarHBondContact OD2-CD1 3.37Å; D109-L113 WeakPolarHBondContact O-CG 3.5Å; D109-L113 PolarHBondContact O-N 3.2Å; D109-K746 VanDerWaalsContact CA-NZ 3.26Å; D109-K746 IonicContact OD1-NZ 2.98Å; D109-K746 PolarHBondContact OD1-NZ 3.32Å; D109-K746 IonicContact OD2-NZ 3.36Å | ||
| 110 | A | 73.8 | Confident | 80.1 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -32.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R114 | A110-R114 VanDerWaalsContact O-CG 3.29Å; A110-R114 WeakPolarHBondContact O-CG 3.13Å; A110-R114 PolarHBondContact O-N 3Å |
| 111 | E | 74.8 | Confident | 80.3 | Confident | 153 Ų | 153 | 51.7 Ų | 51.7 | 72% | 0.715 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.4 | -47.4 | 178 | -67.2 | 179.1 | -170.9 | 0 | 0 | 111.2 | D109 L113 R114 D115 | D109-E111 PolarHBondContact O-N 2.95Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.33Å; E111-R114 PolarHBondContact O-N 3.05Å; E111-D115 PolarHBondContact O-N 3.06Å |
| 112 | L | 74.3 | Confident | 80.5 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 176.8 | -66.6 | 176.8 | 0 | 0 | 0 | 112.1 | D109 D115 L116 | D109-L112 HydrophobicContact CB-CB 4.12Å; D109-L112 HydrophobicContact CB-CD1 3.9Å; D109-L112 HydrophobicContact CB-CG 4.13Å; D109-L112 PolarHBondContact O-N 3.4Å; D109-L112 WeakPolarHBondContact OD2-CD1 3.37Å; L112-D115 PolarHBondContact O-N 2.93Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.28Å |
| 113 | L | 75.6 | Confident | 80.8 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 176.5 | -71.2 | 169.6 | 0 | 0 | 0 | 112.8 | F106 W107 D109 E111 D115 L116 V709 | F106-L113 HydrophobicContact CB-CD2 4.48Å; F106-L113 VanDerWaalsContact O-CG 3.26Å; F106-L113 WeakPolarHBondContact O-CG 3.32Å; W107-L113 HydrophobicContact CD2-CD2 4.08Å; W107-L113 HydrophobicContact CE3-CD1 4.08Å; W107-L113 HydrophobicContact CE3-CD2 3.58Å; W107-L113 HydrophobicContact CE3-CG 4.5Å; W107-L113 HydrophobicContact CZ3-CD2 3.83Å; D109-L113 WeakPolarHBondContact O-CG 3.5Å; D109-L113 PolarHBondContact O-N 3.2Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.33Å; L113-D115 PolarHBondContact O-N 3.04Å; L113-L116 PolarHBondContact O-N 2.73Å; L113-V709 HydrophobicContact CD1-CG2 3.7Å |
| 114 | R | 73.6 | Confident | 81.2 | Confident | 186 Ų | 186 | 60.6 Ų | 60.6 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 177.6 | -77 | 176.7 | -174.6 | -168.1 | 2.5 | 111.4 | R23 A110 E111 | R23-R114 VanDerWaalsContact CD-O 3.28Å; R23-R114 WeakPolarHBondContact CD-O 3.02Å; R23-R114 PolarHBondContact NH1-O 3.43Å; A110-R114 VanDerWaalsContact O-CG 3.29Å; A110-R114 WeakPolarHBondContact O-CG 3.13Å; A110-R114 PolarHBondContact O-N 3Å; E111-R114 PolarHBondContact O-N 3.05Å |
| 115 | D | 77.1 | Confident | 81.4 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -83.3 | -14.8 | 178 | -87.5 | 11.4 | 0 | 0 | 0 | 113.3 | R22 R23 S24 E111 L112 L113 | R22-D115 CarbonylContact C-O 3.58Å; R22-D115 WeakPolarHBondContact CA-O 3.35Å; R23-D115 PolarHBondContact N-O 2.95Å; S24-D115 WeakPolarHBondContact CB-OD2 3.28Å; S24-D115 PolarHBondContact OG-OD2 2.99Å; E111-D115 PolarHBondContact O-N 3.06Å; L112-D115 PolarHBondContact O-N 2.93Å; L113-D115 PolarHBondContact O-N 3.04Å |
| 116 | L | 81.7 | Confident | 81.8 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134 | -177.6 | -177 | 68.2 | 0 | 0 | 0 | 112.5 | L32 C102 L112 L113 | L32-L116 HydrophobicContact CD1-CD1 3.57Å; L32-L116 HydrophobicContact CD2-CD1 3.48Å; L32-L116 VanDerWaalsContact CD2-CD1 3.48Å; L32-L116 HydrophobicContact CG-CD1 4.04Å; C102-L116 WeakPolarHBondContact SG-CD2 3.43Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.28Å; L113-L116 PolarHBondContact O-N 2.73Å |
| 117 | E | 81.8 | Confident | 82.1 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 122.6 | 165.9 | -174.4 | -177.4 | -128.9 | 0 | 0 | 110.7 | G20 R21 R23 N119 | G20-E117 WeakPolarHBondContact CA-O 3.04Å; R21-E117 PolarHBondContact N-O 3.08Å; R21-E117 PolarHBondContact O-N 2.96Å; R23-E117 HydrophobicContact CG-CB 4.23Å; E117-N119 PolarHBondContact OE2-ND2 2.96Å |
| 118 | I | 85.5 | Confident | 82.1 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.1 | 168.2 | -61.7 | -172.6 | 0 | 0 | 0 | 109.3 | F18 L36 A94 E98 V120 | F18-I118 HydrophobicContact CB-CG2 4.27Å; F18-I118 HydrophobicContact CD2-CG2 4.49Å; L36-I118 HydrophobicContact CD1-CD1 3.94Å; L36-I118 HydrophobicContact CD1-CG1 4.15Å; L36-I118 HydrophobicContact CD2-CD1 4.06Å; A94-I118 WeakPolarHBondContact CB-O 3.47Å; E98-I118 HydrophobicContact CB-CD1 4.19Å; E98-I118 HydrophobicContact CG-CB 3.7Å; E98-I118 HydrophobicContact CG-CD1 3.4Å; E98-I118 VanDerWaalsContact CG-CD1 3.4Å; E98-I118 HydrophobicContact CG-CG1 3.48Å; E98-I118 VanDerWaalsContact CG-CG1 3.48Å; E98-I118 PolarHBondContact OE1-N 3.04Å; I118-V120 HydrophobicContact CG2-CG2 4.33Å |
| 119 | N | 86.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.5 | 173.1 | -74.1 | -51.2 | 0 | 0 | 0 | 110.4 | F18 T19 E117 | F18-N119 CarbonylContact C-O 3.53Å; F18-N119 VanDerWaalsContact CA-O 3.28Å; F18-N119 WeakPolarHBondContact CA-O 3.3Å; T19-N119 PolarHBondContact N-O 2.9Å; T19-N119 PolarHBondContact O-N 3.39Å; E117-N119 PolarHBondContact OE2-ND2 2.96Å |
| 120 | V | 89.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.2 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | L16 F18 L88 V93 A94 L97 I118 | L16-V120 HydrophobicContact CD1-CG1 3.64Å; L16-V120 HydrophobicContact CD2-CG1 3.58Å; L16-V120 HydrophobicContact CG-CG1 3.54Å; F18-V120 HydrophobicContact CB-CG2 4.35Å; L88-V120 HydrophobicContact CD1-CB 4.26Å; L88-V120 HydrophobicContact CD1-CG1 3.77Å; V93-V120 HydrophobicContact CG1-CG1 4.13Å; V93-V120 HydrophobicContact CG1-CG2 4.49Å; A94-V120 HydrophobicContact CB-CG2 3.87Å; L97-V120 HydrophobicContact CD1-CG2 3.82Å; I118-V120 HydrophobicContact CG2-CG2 4.33Å |
| 121 | T | 88.3 | Confident | 83 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.6 | -179.7 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | R17 | R17-T121 PolarHBondContact N-O 3.42Å; R17-T121 PolarHBondContact O-N 3.3Å; R17-T121 PolarHBondContact O-OG1 3.31Å |
| 122 | V | 88.6 | Confident | 83.5 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.2 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | I14 L16 L88 E124 | I14-V122 HydrophobicContact CD1-CG1 3.24Å; I14-V122 HydrophobicContact CG1-CG1 3.84Å; L16-V122 HydrophobicContact CB-CG2 4.14Å; L16-V122 HydrophobicContact CD1-CG2 3.75Å; L16-V122 HydrophobicContact CG-CG2 3.91Å; L88-V122 HydrophobicContact CD1-CG2 4.26Å; L88-V122 HydrophobicContact CD2-CB 3.92Å; L88-V122 HydrophobicContact CD2-CG2 3.64Å; V122-E124 PolarHBondContact O-N 3.11Å |
| 123 | D | 86.6 | Confident | 83.9 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -70.9 | 101.3 | 172.9 | -173 | -33 | 0 | 0 | 0 | 109.6 | E125 H126 L127 | D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 3.44Å; D123-E125 PolarHBondContact OD1-N 2.89Å; D123-H126 HydrophobicContact CB-CB 4.07Å; D123-H126 PolarHBondContact O-N 3.25Å; D123-H126 IonicContact OD1-CG 2.7Å; D123-H126 PolarHBondContact OD1-N 3.5Å; D123-H126 VanDerWaalsContact OD1-N 3.07Å; D123-H126 IonicContact OD1-ND1 2.98Å; D123-H126 PolarHBondContact OD1-ND1 3.37Å; D123-H126 IonicContact OD2-CE1 3.62Å; D123-H126 IonicContact OD2-CG 2.69Å; D123-H126 IonicContact OD2-ND1 3.54Å; D123-H126 PolarHBondContact OD2-ND1 2.96Å; D123-L127 PolarHBondContact O-N 3.41Å | ||
| 124 | E | 83.1 | Confident | 84.4 | Confident | 156 Ų | 156 | 60.6 Ų | 60.6 | 73% | 0.729 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.1 | -33.7 | -175.7 | -64.7 | -170.3 | 168.2 | 0 | 0 | 112.6 | V122 L127 A128 | V122-E124 PolarHBondContact O-N 3.11Å; E124-L127 PolarHBondContact O-N 3.43Å; E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.27Å |
| 125 | E | 83.4 | Confident | 85 | Confident | 159 Ų | 159 | 51.8 Ų | 51.8 | 74% | 0.743 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66 | -47.1 | 176.8 | -64.2 | -173.2 | 174.6 | 0 | 0 | 109.8 | D123 L127 A128 T129 | D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 3.44Å; D123-E125 PolarHBondContact OD1-N 2.89Å; E125-L127 PolarHBondContact O-N 3.48Å; E125-A128 PolarHBondContact O-N 2.9Å; E125-T129 WeakPolarHBondContact O-CG2 3.39Å; E125-T129 PolarHBondContact O-N 2.86Å |
| 126 | H | 85.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.3 | -81.2 | 108.2 | 0 | 0 | 0 | 112.4 | D123 A128 T129 L130 | D123-H126 HydrophobicContact CB-CB 4.07Å; D123-H126 PolarHBondContact O-N 3.25Å; D123-H126 IonicContact OD1-CG 2.7Å; D123-H126 PolarHBondContact OD1-N 3.5Å; D123-H126 VanDerWaalsContact OD1-N 3.07Å; D123-H126 IonicContact OD1-ND1 2.98Å; D123-H126 PolarHBondContact OD1-ND1 3.37Å; D123-H126 IonicContact OD2-CE1 3.62Å; D123-H126 IonicContact OD2-CG 2.69Å; D123-H126 IonicContact OD2-ND1 3.54Å; D123-H126 PolarHBondContact OD2-ND1 2.96Å; H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 PolarHBondContact O-N 3.01Å; H126-T129 PolarHBondContact O-N 3.11Å; H126-T129 PolarHBondContact O-OG1 3.39Å; H126-L130 WeakPolarHBondContact O-CG 3.37Å; H126-L130 PolarHBondContact O-N 2.94Å |
| 127 | L | 85.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.8 | -168.9 | 77.4 | 0 | 0 | 0 | 111.6 | I14 F75 I81 D123 E124 E125 L130 Y131 | I14-L127 HydrophobicContact CD1-CB 3.55Å; I14-L127 HydrophobicContact CD1-CD1 3.38Å; I14-L127 HydrophobicContact CD1-CG 4.05Å; F75-L127 HydrophobicContact CE2-CD1 3.86Å; F75-L127 HydrophobicContact CZ-CD1 4.39Å; I81-L127 HydrophobicContact CG2-CD1 4.48Å; D123-L127 PolarHBondContact O-N 3.41Å; E124-L127 PolarHBondContact O-N 3.43Å; E125-L127 PolarHBondContact O-N 3.48Å; L127-L130 WeakPolarHBondContact O-CB 3.39Å; L127-L130 PolarHBondContact O-N 3.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 PolarHBondContact O-N 3.42Å |
| 128 | A | 83.1 | Confident | 85.3 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | E124 E125 H126 Y131 L132 | E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.27Å; E125-A128 PolarHBondContact O-N 2.9Å; H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 PolarHBondContact O-N 3.01Å; A128-Y131 PolarHBondContact O-N 3.26Å; A128-L132 WeakPolarHBondContact O-CB 3.44Å; A128-L132 PolarHBondContact O-N 2.91Å |
| 129 | T | 85.8 | Confident | 85 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | E125 H126 L132 G133 | E125-T129 WeakPolarHBondContact O-CG2 3.39Å; E125-T129 PolarHBondContact O-N 2.86Å; H126-T129 PolarHBondContact O-N 3.11Å; H126-T129 PolarHBondContact O-OG1 3.39Å; T129-L132 PolarHBondContact O-N 3.18Å; T129-G133 PolarHBondContact O-N 3.35Å |
| 130 | L | 85.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.1 | -78 | 168.1 | 0 | 0 | 0 | 111.7 | P12 I14 I81 H126 L127 G133 L134 | P12-L130 HydrophobicContact CB-CD2 3.24Å; P12-L130 HydrophobicContact CG-CD2 3.29Å; P12-L130 WeakPolarHBondContact O-CD2 3.28Å; I14-L130 HydrophobicContact CB-CD1 3.68Å; I14-L130 HydrophobicContact CD1-CD1 4.1Å; I14-L130 HydrophobicContact CG1-CD1 4.26Å; I81-L130 HydrophobicContact CD1-CB 4.49Å; H126-L130 WeakPolarHBondContact O-CG 3.37Å; H126-L130 PolarHBondContact O-N 2.94Å; L127-L130 WeakPolarHBondContact O-CB 3.39Å; L127-L130 PolarHBondContact O-N 3.29Å; L130-G133 PolarHBondContact O-N 2.74Å; L130-L134 PolarHBondContact O-N 3.06Å |
| 131 | Y | 87.1 | Confident | 84.9 | Confident | 15 Ų | 15 | 58 Ų | 58 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 175.9 | 172.5 | -119.1 | 0 | 0 | 0 | 111.3 | V78 I81 L127 A128 G133 L134 L135 P199 L200 P203 Q206 | V78-Y131 HydrophobicContact CG1-CD2 4.34Å; V78-Y131 HydrophobicContact CG1-CE2 3.68Å; V78-Y131 HydrophobicContact CG2-CE2 4.4Å; I81-Y131 HydrophobicContact CG2-CD2 4.37Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 PolarHBondContact O-N 3.42Å; A128-Y131 PolarHBondContact O-N 3.26Å; Y131-G133 VanDerWaalsContact C-N 3.34Å; Y131-G133 PolarHBondContact O-N 3.45Å; Y131-L134 PolarHBondContact O-N 2.92Å; Y131-L135 HydrophobicContact CD1-CD1 4.22Å; Y131-L135 HydrophobicContact CD2-CD1 4.47Å; Y131-L135 HydrophobicContact CD2-CG 4.36Å; Y131-L135 HydrophobicContact CE1-CD1 3.66Å; Y131-L135 HydrophobicContact CE2-CD1 3.92Å; Y131-L135 HydrophobicContact CE2-CD2 3.99Å; Y131-L135 HydrophobicContact CE2-CG 3.95Å; Y131-L135 WeakPolarHBondContact O-CG 3.5Å; Y131-L135 PolarHBondContact O-N 3.49Å; Y131-P199 HydrophobicContact CE1-CB 4.45Å; Y131-L200 WeakPolarHBondContact CE1-O 3.39Å; Y131-L200 PolarHBondContact OH-O 3Å; Y131-P203 HydrophobicContact CD1-CG 4.39Å; Y131-P203 HydrophobicContact CD2-CB 4.27Å; Y131-P203 HydrophobicContact CD2-CG 3.98Å; Y131-P203 HydrophobicContact CE1-CG 4.19Å; Y131-P203 HydrophobicContact CE2-CB 3.76Å; Y131-P203 HydrophobicContact CE2-CG 3.77Å; Y131-P203 HydrophobicContact CG-CG 4.28Å; Y131-Q206 WeakPolarHBondContact OH-CB 3.4Å |
| 132 | L | 85.3 | Confident | 85 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 31% | 0.314 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176 | 178.6 | 53.9 | 0 | 0 | 0 | 112.3 | A128 T129 L134 L135 L136 P199 | A128-L132 WeakPolarHBondContact O-CB 3.44Å; A128-L132 PolarHBondContact O-N 2.91Å; T129-L132 PolarHBondContact O-N 3.18Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 2.67Å; L132-L135 PolarHBondContact O-N 3.36Å; L132-L136 HydrophobicContact CD1-CD1 4.13Å; L132-L136 HydrophobicContact CD1-CG 4.13Å; L132-L136 HydrophobicContact CG-CD1 4.13Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.89Å; L132-P199 HydrophobicContact CD1-CG 3.4Å; L132-P199 VanDerWaalsContact CD1-CG 3.4Å |
| 133 | G | 83.8 | Confident | 85 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T129 L130 Y131 Q137 | T129-G133 PolarHBondContact O-N 3.35Å; L130-G133 PolarHBondContact O-N 2.74Å; Y131-G133 VanDerWaalsContact C-N 3.34Å; Y131-G133 PolarHBondContact O-N 3.45Å; G133-Q137 WeakPolarHBondContact O-CG 3.46Å; G133-Q137 PolarHBondContact O-N 2.73Å; G133-Q137 VanDerWaalsContact O-N 3.13Å |
| 134 | L | 86.4 | Confident | 85 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 175.7 | -70.1 | 179.5 | 0 | 0 | 0 | 112.2 | F75 V78 I81 L130 Y131 L132 L136 Q137 E138 | F75-L134 HydrophobicContact CB-CD1 4.33Å; V78-L134 HydrophobicContact CG2-CB 4.1Å; I81-L134 HydrophobicContact CD1-CD1 3.53Å; I81-L134 HydrophobicContact CG1-CD1 4.21Å; L130-L134 PolarHBondContact O-N 3.06Å; Y131-L134 PolarHBondContact O-N 2.92Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 2.67Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.25Å; L134-Q137 WeakPolarHBondContact O-CB 3.43Å; L134-Q137 PolarHBondContact O-N 3.25Å; L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 2.99Å; L134-E138 VanDerWaalsContact O-N 3.12Å |
| 135 | L | 85 | Confident | 85.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.2 | -68.4 | 177.6 | 0 | 0 | 0 | 112.5 | V78 Y131 L132 Q137 E138 G139 F141 P199 Q206 | V78-L135 HydrophobicContact CG1-CD2 4.41Å; V78-L135 HydrophobicContact CG2-CD2 3.69Å; V78-L135 HydrophobicContact CG2-CG 4.36Å; Y131-L135 HydrophobicContact CD1-CD1 4.22Å; Y131-L135 HydrophobicContact CD2-CD1 4.47Å; Y131-L135 HydrophobicContact CD2-CG 4.36Å; Y131-L135 HydrophobicContact CE1-CD1 3.66Å; Y131-L135 HydrophobicContact CE2-CD1 3.92Å; Y131-L135 HydrophobicContact CE2-CD2 3.99Å; Y131-L135 HydrophobicContact CE2-CG 3.95Å; Y131-L135 WeakPolarHBondContact O-CG 3.5Å; Y131-L135 PolarHBondContact O-N 3.49Å; L132-L135 PolarHBondContact O-N 3.36Å; L135-Q137 VanDerWaalsContact C-N 3.33Å; L135-E138 PolarHBondContact O-N 3.24Å; L135-G139 PolarHBondContact O-N 3.05Å; L135-F141 HydrophobicContact CB-CB 4.03Å; L135-F141 HydrophobicContact CB-CD1 4.04Å; L135-F141 HydrophobicContact CB-CG 3.95Å; L135-F141 HydrophobicContact CD1-CB 4.26Å; L135-F141 HydrophobicContact CD1-CD2 4.17Å; L135-F141 HydrophobicContact CD1-CG 4.27Å; L135-F141 HydrophobicContact CD2-CB 3.81Å; L135-F141 HydrophobicContact CG-CB 4.26Å; L135-P199 HydrophobicContact CD1-CB 3.68Å; L135-P199 HydrophobicContact CD1-CG 4.4Å; L135-Q206 HydrophobicContact CD2-CG 3.69Å |
| 136 | L | 82.6 | Confident | 85.1 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 176.9 | -68.4 | 170.3 | 0 | 0 | 0 | 111.6 | L132 L134 E138 G139 F141 W179 | L132-L136 HydrophobicContact CD1-CD1 4.13Å; L132-L136 HydrophobicContact CD1-CG 4.13Å; L132-L136 HydrophobicContact CG-CD1 4.13Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.89Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.25Å; L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.38Å; L136-G139 PolarHBondContact O-N 2.94Å; L136-G139 VanDerWaalsContact O-N 3.17Å; L136-F141 HydrophobicContact CD2-CE1 3.92Å; L136-F141 HydrophobicContact CD2-CZ 4.3Å; L136-W179 HydrophobicContact CD2-CZ2 4Å |
| 137 | Q | 83.1 | Confident | 84.9 | Confident | 149 Ų | 149 | 41.8 Ų | 41.8 | 70% | 0.696 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.9 | -31.2 | 172.9 | -73.4 | 174.5 | 12.9 | 0 | 0 | 112.8 | G133 L134 L135 G139 | G133-Q137 WeakPolarHBondContact O-CG 3.46Å; G133-Q137 PolarHBondContact O-N 2.73Å; G133-Q137 VanDerWaalsContact O-N 3.13Å; L134-Q137 WeakPolarHBondContact O-CB 3.43Å; L134-Q137 PolarHBondContact O-N 3.25Å; L135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-G139 VanDerWaalsContact C-N 3.28Å |
| 138 | E | 81.9 | Confident | 84.5 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.9 | -14.5 | 176.3 | -68.4 | -173.3 | 153.5 | 0 | 0 | 113.2 | L134 L135 L136 S140 R210 | L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 2.99Å; L134-E138 VanDerWaalsContact O-N 3.12Å; L135-E138 PolarHBondContact O-N 3.24Å; L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.38Å; E138-S140 PolarHBondContact O-N 3.48Å; E138-R210 IonicContact OE1-CZ 2.81Å; E138-R210 IonicContact OE1-NH1 2.67Å; E138-R210 PolarHBondContact OE1-NH1 3.38Å; E138-R210 IonicContact OE1-NH2 2.84Å; E138-R210 IonicContact OE2-CZ 3.31Å; E138-R210 IonicContact OE2-NH1 2.86Å; E138-R210 PolarHBondContact OE2-NH1 2.61Å |
| 139 | G | 77.9 | Confident | 83.9 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 73.7 | -18.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | L135 L136 Q137 R171 D172 | L135-G139 PolarHBondContact O-N 3.05Å; L136-G139 PolarHBondContact O-N 2.94Å; L136-G139 VanDerWaalsContact O-N 3.17Å; Q137-G139 VanDerWaalsContact C-N 3.28Å; G139-R171 WeakPolarHBondContact O-CA 3.19Å; G139-D172 PolarHBondContact O-N 3.42Å |
| 140 | S | 85.9 | Confident | 82.7 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 129.9 | 174.1 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | E138 V170 | E138-S140 PolarHBondContact O-N 3.48Å; S140-V170 CarbonylContact C-O 3.59Å; S140-V170 VanDerWaalsContact CA-O 3.32Å; S140-V170 WeakPolarHBondContact CA-O 3.23Å |
| 141 | F | 88.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 166.5 | -178.6 | 59.7 | -86.4 | 0 | 0 | 0 | 112.8 | L135 L136 A143 V170 W179 P199 Q206 | L135-F141 HydrophobicContact CB-CB 4.03Å; L135-F141 HydrophobicContact CB-CD1 4.04Å; L135-F141 HydrophobicContact CB-CG 3.95Å; L135-F141 HydrophobicContact CD1-CB 4.26Å; L135-F141 HydrophobicContact CD1-CD2 4.17Å; L135-F141 HydrophobicContact CD1-CG 4.27Å; L135-F141 HydrophobicContact CD2-CB 3.81Å; L135-F141 HydrophobicContact CG-CB 4.26Å; L136-F141 HydrophobicContact CD2-CE1 3.92Å; L136-F141 HydrophobicContact CD2-CZ 4.3Å; F141-A143 HydrophobicContact CD2-CB 4.47Å; F141-A143 HydrophobicContact CE2-CB 4.2Å; F141-V170 PolarHBondContact N-O 3.04Å; F141-V170 PolarHBondContact O-N 2.9Å; F141-W179 HydrophobicContact CE2-CZ3 4.49Å; F141-W179 AromaticContact CZ-CH2 3.66Å; F141-W179 HydrophobicContact CZ-CH2 3.66Å; F141-W179 HydrophobicContact CZ-CZ2 4.12Å; F141-W179 AromaticContact CZ-CZ3 3.91Å; F141-W179 HydrophobicContact CZ-CZ3 3.91Å; F141-P199 HydrophobicContact CD2-CB 4.34Å; F141-P199 HydrophobicContact CE2-CB 4.28Å; F141-P199 HydrophobicContact CE2-CG 4.13Å; F141-Q206 VanDerWaalsContact CA-NE2 3.26Å |
| 142 | F | 89.7 | Confident | 79.3 | Confident | 16 Ų | 16 | 60 Ų | 60 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.2 | 177.4 | -58.6 | -84.3 | 0 | 0 | 0 | 109.6 | L168 I169 L184 L200 Q206 L209 R210 | F142-L168 CarbonylContact C-O 3.59Å; F142-L168 VanDerWaalsContact CA-O 3.32Å; F142-L168 WeakPolarHBondContact CA-O 3.46Å; F142-I169 HydrophobicContact CD1-CB 3.68Å; F142-I169 HydrophobicContact CD1-CG1 4.24Å; F142-I169 HydrophobicContact CE1-CB 3.64Å; F142-I169 HydrophobicContact CE1-CD1 4Å; F142-I169 HydrophobicContact CE1-CG1 4.07Å; F142-I169 HydrophobicContact CZ-CD1 4.1Å; F142-L184 HydrophobicContact CD1-CD1 3.93Å; F142-L184 HydrophobicContact CD1-CD2 4.14Å; F142-L184 HydrophobicContact CD1-CG 4.4Å; F142-L184 HydrophobicContact CE1-CD1 4.37Å; F142-L184 HydrophobicContact CE1-CD2 3.86Å; F142-L200 HydrophobicContact CB-CD1 3.56Å; F142-L200 HydrophobicContact CB-CG 4.11Å; F142-L200 PolarHBondContact O-N 3.39Å; F142-L200 VanDerWaalsContact O-N 3.16Å; F142-Q206 PolarHBondContact O-OE1 3.27Å; F142-L209 HydrophobicContact CB-CD1 4.13Å; F142-L209 HydrophobicContact CD1-CB 4.3Å; F142-L209 HydrophobicContact CD1-CD1 4.01Å; F142-L209 HydrophobicContact CD2-CB 3.65Å; F142-L209 HydrophobicContact CD2-CD1 4.09Å; F142-L209 HydrophobicContact CE1-CB 4.02Å; F142-L209 HydrophobicContact CE1-CD1 4.46Å; F142-L209 HydrophobicContact CE2-CB 3.37Å; F142-L209 HydrophobicContact CG-CB 4.13Å; F142-L209 HydrophobicContact CG-CD1 3.81Å; F142-L209 HydrophobicContact CZ-CB 3.57Å; F142-R210 HydrophobicContact CE2-CB 4.3Å |
| 143 | A | 88.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 160.7 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | F141 L167 L168 V170 M197 Q198 | F141-A143 HydrophobicContact CD2-CB 4.47Å; F141-A143 HydrophobicContact CE2-CB 4.2Å; A143-L167 WeakPolarHBondContact O-CA 3.39Å; A143-L168 PolarHBondContact N-O 2.69Å; A143-L168 PolarHBondContact O-N 3.5Å; A143-V170 HydrophobicContact CB-CG2 3.7Å; A143-M197 HydrophobicContact CB-CB 4.24Å; A143-M197 HydrophobicContact CB-SD 4.47Å; A143-Q198 CarbonylContact C-O 3.57Å; A143-Q198 WeakPolarHBondContact CA-O 3.46Å; A143-Q198 WeakPolarHBondContact CB-O 3.36Å |
| 144 | K | 88.1 | Confident | 75.8 | Confident | 64 Ų | 64 | 69 Ų | 69 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.1 | 176.1 | -177.6 | 176.9 | -179.6 | -172.9 | 0 | 109.2 | N165 D166 L167 Q198 L200 | K144-N165 VanDerWaalsContact CE-CA 3.43Å; K144-N165 VanDerWaalsContact CE-CB 3.45Å; K144-N165 VanDerWaalsContact CE-CG 3.42Å; K144-N165 WeakPolarHBondContact CE-OD1 3.27Å; K144-N165 PolarHBondContact NZ-OD1 3.41Å; K144-D166 CarbonylContact C-O 3.6Å; K144-D166 WeakPolarHBondContact CA-O 3.25Å; K144-L167 HydrophobicContact CB-CD2 3.77Å; K144-L167 HydrophobicContact CD-CD2 4.43Å; K144-L167 HydrophobicContact CG-CD2 3.88Å; K144-Q198 PolarHBondContact N-O 2.99Å; K144-Q198 PolarHBondContact O-N 3.07Å; K144-L200 HydrophobicContact CB-CD2 4.32Å |
| 145 | A | 85.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F162 K163 N165 D166 L168 M197 | A145-F162 HydrophobicContact CB-CD2 3.57Å; A145-F162 HydrophobicContact CB-CE2 4.05Å; A145-F162 HydrophobicContact CB-CG 4.37Å; A145-K163 WeakPolarHBondContact CB-O 3.15Å; A145-N165 PolarHBondContact O-N 2.96Å; A145-D166 HydrophobicContact CB-CB 4.4Å; A145-D166 PolarHBondContact N-O 3.2Å; A145-L168 HydrophobicContact CB-CD1 4.11Å; A145-M197 HydrophobicContact CB-CE 3.79Å; A145-M197 HydrophobicContact CB-SD 4.38Å |
| 146 | L | 82.7 | Confident | 72.3 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 37% | 0.366 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -87 | -26.5 | 178 | -68.3 | 177.6 | 0 | 0 | 0 | 113.3 | K164 A196 Q198 | L146-K164 WeakPolarHBondContact O-CD 3.3Å; L146-K164 WeakPolarHBondContact O-CG 3.14Å; L146-A196 PolarHBondContact N-O 3.28Å; L146-Q198 HydrophobicContact CD1-CB 4.15Å; L146-Q198 HydrophobicContact CD2-CB 3.94Å; L146-Q198 HydrophobicContact CG-CB 4Å |
| 147 | L | 80.1 | Confident | 70.9 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -122.7 | 155.8 | -173.9 | -62.1 | 171.4 | 0 | 0 | 0 | 110 | F162 K164 A196 | L147-F162 WeakPolarHBondContact O-CD2 3.4Å; L147-F162 WeakPolarHBondContact O-CE2 3.48Å; L147-K164 PolarHBondContact O-N 3.32Å; L147-A196 HydrophobicContact CD1-CB 4.41Å |
| 148 | T | 77.1 | Confident | 69.9 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 58% | 0.577 | 44% | 0.443 | S | S | * | . | trans | -95 | 131.4 | 168.8 | -59.5 | 0 | 0 | 0 | 0 | 107.9 | K163 K164 | T148-K163 HydrophobicContact CG2-CB 4.48Å; T148-K163 HydrophobicContact CG2-CG 4.28Å; T148-K164 WeakPolarHBondContact OG1-CB 3.44Å; T148-K164 PolarHBondContact OG1-N 2.96Å | ||
| 149 | R | 70.4 | Confident | 69.3 | Low | 67 Ų | 67 | 86.6 Ų | 86.6 | 25% | 0.253 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -128.9 | 118.6 | 174.3 | -165.2 | 171 | -174.7 | -161.9 | -9.4 | 109.8 | D153 F162 | R149-D153 IonicContact NE-OD2 2.8Å; R149-F162 HydrophobicContact CB-CE2 4.4Å; R149-F162 HydrophobicContact CB-CZ 4.37Å; R149-F162 PolarHBondContact N-O 3.05Å; R149-F162 PolarHBondContact O-N 3.11Å |
| 150 | S | 60.4 | Low | 69.5 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | trans | -90.2 | 161.5 | 177.6 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | E152 | S150-E152 PolarHBondContact O-N 3.12Š| ||
| 151 | E | 54.3 | Low | 69.1 | Low | 174 Ų | 174 | 85.3 Ų | 85.3 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -3.1 | 177.8 | -64.8 | 179.8 | 171.1 | 0 | 0 | 114 | ||
| 152 | E | 48.2 | Very low | 68.7 | Low | 170 Ų | 170 | 85.6 Ų | 85.6 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -2.9 | -176.8 | -63.1 | -177.4 | 174.2 | 0 | 0 | 114.3 | S150 | S150-E152 PolarHBondContact O-N 3.12Š|
| 153 | D | 48.4 | Very low | 68.3 | Low | 100 Ų | 100 | 91.7 Ų | 91.7 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -90.8 | 101.7 | 174 | -71.2 | -29.6 | 0 | 0 | 0 | 110.5 | R149 | R149-D153 IonicContact NE-OD2 2.8Š|
| 154 | E | 47.5 | Very low | 68 | Low | 164 Ų | 164 | 97.7 Ų | 97.7 | 77% | 0.766 | 48% | 0.483 | S | S | * | . | trans | -53.5 | 155.2 | -165.4 | -64 | -175.7 | 152.4 | 0 | 0 | 119 | ||||
| 155 | D | 45.8 | Very low | 67.7 | Low | 144 Ų | 144 | 98.8 Ų | 98.8 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 91 | 7 | 149.5 | -71.3 | -10 | 0 | 0 | 0 | 123.2 | ||
| 156 | N | 51 | Low | 67.6 | Low | 106 Ų | 106 | 100.9 Ų | 100.9 | 57% | 0.567 | 50% | 0.503 | S | S | * | . | trans | -139.8 | 106.8 | 170.7 | -72.8 | -66 | 0 | 0 | 0 | 113.6 | E158 Q159 | N156-E158 PolarHBondContact O-N 2.74Å; N156-Q159 HydrophobicContact CB-CG 3.92Å; N156-Q159 PolarHBondContact O-N 2.59Å | ||
| 157 | E | 54.2 | Low | 67.8 | Low | 209 Ų | 209 | 98.1 Ų | 98.1 | 98% | 0.977 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -12.9 | 175.4 | -67.9 | -174.5 | 164.2 | 0 | 0 | 114.1 | ||
| 158 | E | 61.4 | Low | 68.2 | Low | 128 Ų | 128 | 93.4 Ų | 93.4 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -1.5 | 180 | -62.9 | -174.2 | 170.6 | 0 | 0 | 114.1 | N156 Q191 | N156-E158 PolarHBondContact O-N 2.74Å; E158-Q191 HydrophobicContact CB-CG 4.49Å; E158-Q191 WeakPolarHBondContact O-CB 3.28Å; E158-Q191 PolarHBondContact O-N 3.12Å; E158-Q191 PolarHBondContact OE2-NE2 3.4Å |
| 159 | Q | 70.3 | Confident | 68.7 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -99.8 | 137.5 | -173.4 | -63.3 | -174 | 8.8 | 0 | 0 | 113.5 | N156 Q191 | N156-Q159 HydrophobicContact CB-CG 3.92Å; N156-Q159 PolarHBondContact O-N 2.59Å; Q159-Q191 HydrophobicContact CG-CB 4.31Å |
| 160 | L | 80.3 | Confident | 69.6 | Low | 12 Ų | 12 | 87.2 Ų | 87.2 | 6% | 0.063 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 133.4 | -175.4 | -173.3 | 69.5 | 0 | 0 | 0 | 112 | F162 L168 N188 Q191 V192 | L160-F162 WeakPolarHBondContact O-CD1 3.34Å; L160-F162 WeakPolarHBondContact O-CE1 3.28Å; L160-L168 HydrophobicContact CD2-CD2 3.35Å; L160-N188 HydrophobicContact CD1-CB 3.69Å; L160-Q191 PolarHBondContact N-O 3.43Å; L160-V192 HydrophobicContact CB-CG2 4.08Å; L160-V192 HydrophobicContact CD2-CG2 4.08Å |
| 161 | S | 79.1 | Confident | 70.8 | Confident | 41 Ų | 41 | 90.2 Ų | 90.2 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 134.8 | 169.8 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | M183 | S161-M183 WeakPolarHBondContact O-CE 3.48Š|
| 162 | F | 80.1 | Confident | 72 | Confident | 7 Ų | 7 | 85.4 Ų | 85.4 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -154.1 | 151.2 | -178.2 | 53.7 | -97.1 | 0 | 0 | 0 | 112 | A145 L147 R149 L160 D166 M183 V192 A196 M197 | A145-F162 HydrophobicContact CB-CD2 3.57Å; A145-F162 HydrophobicContact CB-CE2 4.05Å; A145-F162 HydrophobicContact CB-CG 4.37Å; L147-F162 WeakPolarHBondContact O-CD2 3.4Å; L147-F162 WeakPolarHBondContact O-CE2 3.48Å; R149-F162 HydrophobicContact CB-CE2 4.4Å; R149-F162 HydrophobicContact CB-CZ 4.37Å; R149-F162 PolarHBondContact N-O 3.05Å; R149-F162 PolarHBondContact O-N 3.11Å; L160-F162 WeakPolarHBondContact O-CD1 3.34Å; L160-F162 WeakPolarHBondContact O-CE1 3.28Å; F162-D166 HydrophobicContact CB-CB 4.42Å; F162-M183 HydrophobicContact CB-CE 4.03Å; F162-V192 HydrophobicContact CE1-CG1 3.91Å; F162-V192 HydrophobicContact CE1-CG2 4.27Å; F162-V192 HydrophobicContact CZ-CG1 4.2Å; F162-A196 HydrophobicContact CE2-CB 4.33Å; F162-A196 HydrophobicContact CZ-CB 4.17Å; F162-M197 HydrophobicContact CD1-CE 4.15Å; F162-M197 HydrophobicContact CD2-CE 3.9Å; F162-M197 HydrophobicContact CE1-CE 3.83Å; F162-M197 HydrophobicContact CE2-CE 3.54Å; F162-M197 HydrophobicContact CG-CE 4.2Å; F162-M197 HydrophobicContact CZ-CE 3.5Å |
| 163 | K | 81.1 | Confident | 73.1 | Confident | 143 Ų | 143 | 79.9 Ų | 79.9 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | trans | -97.4 | 155.6 | 175.1 | -64 | -179.9 | -177.7 | 177 | 0 | 111.1 | A145 T148 N165 D166 | A145-K163 WeakPolarHBondContact CB-O 3.15Å; T148-K163 HydrophobicContact CG2-CB 4.48Å; T148-K163 HydrophobicContact CG2-CG 4.28Å; K163-N165 PolarHBondContact O-N 2.75Å; K163-D166 PolarHBondContact N-OD2 2.98Å; K163-D166 VanDerWaalsContact O-CB 3.28Å; K163-D166 WeakPolarHBondContact O-CB 3.31Å; K163-D166 VanDerWaalsContact O-CG 3.32Å; K163-D166 PolarHBondContact O-N 3.17Å | ||
| 164 | K | 81.1 | Confident | 74 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.7 | 170.5 | -179.7 | 173.6 | -176.7 | -179.1 | 0 | 109.9 | L146 L147 T148 | L146-K164 WeakPolarHBondContact O-CD 3.3Å; L146-K164 WeakPolarHBondContact O-CG 3.14Å; L147-K164 PolarHBondContact O-N 3.32Å; T148-K164 WeakPolarHBondContact OG1-CB 3.44Å; T148-K164 PolarHBondContact OG1-N 2.96Å |
| 165 | N | 81.6 | Confident | 74.9 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -1.9 | -173.7 | -51.8 | -40.6 | 0 | 0 | 0 | 117.1 | K144 A145 K163 | K144-N165 VanDerWaalsContact CE-CA 3.43Å; K144-N165 VanDerWaalsContact CE-CB 3.45Å; K144-N165 VanDerWaalsContact CE-CG 3.42Å; K144-N165 WeakPolarHBondContact CE-OD1 3.27Å; K144-N165 PolarHBondContact NZ-OD1 3.41Å; A145-N165 PolarHBondContact O-N 2.96Å; K163-N165 PolarHBondContact O-N 2.75Å |
| 166 | D | 83.7 | Confident | 75.6 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | trans | -61.5 | 143.4 | 172.8 | -73.8 | -8.1 | 0 | 0 | 0 | 110.6 | K144 A145 F162 K163 L168 | K144-D166 CarbonylContact C-O 3.6Å; K144-D166 WeakPolarHBondContact CA-O 3.25Å; A145-D166 HydrophobicContact CB-CB 4.4Å; A145-D166 PolarHBondContact N-O 3.2Å; F162-D166 HydrophobicContact CB-CB 4.42Å; K163-D166 PolarHBondContact N-OD2 2.98Å; K163-D166 VanDerWaalsContact O-CB 3.28Å; K163-D166 WeakPolarHBondContact O-CB 3.31Å; K163-D166 VanDerWaalsContact O-CG 3.32Å; K163-D166 PolarHBondContact O-N 3.17Å; D166-L168 HydrophobicContact CB-CD1 4.31Å; D166-L168 WeakPolarHBondContact O-CD1 3.16Å | ||
| 167 | L | 87.1 | Confident | 76.7 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132 | 178.8 | -58.2 | -169.8 | 0 | 0 | 0 | 110.9 | A143 K144 L184 L200 V589 V590 | A143-L167 WeakPolarHBondContact O-CA 3.39Å; K144-L167 HydrophobicContact CB-CD2 3.77Å; K144-L167 HydrophobicContact CD-CD2 4.43Å; K144-L167 HydrophobicContact CG-CD2 3.88Å; L167-L184 HydrophobicContact CB-CB 4.47Å; L167-L184 HydrophobicContact CB-CD1 3.79Å; L167-L184 HydrophobicContact CB-CG 4.43Å; L167-L184 WeakPolarHBondContact O-CB 3.47Å; L167-L184 PolarHBondContact O-N 3.12Å; L167-L200 HydrophobicContact CD1-CD2 4.27Å; L167-L200 HydrophobicContact CD2-CD2 3.58Å; L167-V589 HydrophobicContact CD1-CG1 3.87Å; L167-V590 HydrophobicContact CD1-CG2 4.18Å |
| 168 | L | 88.5 | Confident | 78 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.9 | -176.8 | -58.3 | 95.9 | 0 | 0 | 0 | 110.4 | F142 A143 A145 L160 D166 V170 T182 V192 M197 | F142-L168 CarbonylContact C-O 3.59Å; F142-L168 VanDerWaalsContact CA-O 3.32Å; F142-L168 WeakPolarHBondContact CA-O 3.46Å; A143-L168 PolarHBondContact N-O 2.69Å; A143-L168 PolarHBondContact O-N 3.5Å; A145-L168 HydrophobicContact CB-CD1 4.11Å; L160-L168 HydrophobicContact CD2-CD2 3.35Å; D166-L168 HydrophobicContact CB-CD1 4.31Å; D166-L168 WeakPolarHBondContact O-CD1 3.16Å; L168-V170 HydrophobicContact CB-CG2 4.23Å; L168-T182 CarbonylContact C-O 3.49Å; L168-T182 WeakPolarHBondContact CA-O 3.26Å; L168-V192 HydrophobicContact CD2-CG2 4.17Å; L168-M197 HydrophobicContact CD1-CE 3.97Å; L168-M197 HydrophobicContact CD1-SD 3.96Å |
| 169 | I | 88.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.7 | 158.3 | -178.9 | 171 | 0 | 0 | 0 | 108.1 | F142 G181 T182 | F142-I169 HydrophobicContact CD1-CB 3.68Å; F142-I169 HydrophobicContact CD1-CG1 4.24Å; F142-I169 HydrophobicContact CE1-CB 3.64Å; F142-I169 HydrophobicContact CE1-CD1 4Å; F142-I169 HydrophobicContact CE1-CG1 4.07Å; F142-I169 HydrophobicContact CZ-CD1 4.1Å; I169-G181 CarbonylContact O-C 3.55Å; I169-G181 VanDerWaalsContact O-CA 3.26Å; I169-G181 WeakPolarHBondContact O-CA 3.41Å; I169-T182 HydrophobicContact CG2-CG2 4.43Å; I169-T182 WeakPolarHBondContact CG2-OG1 3.29Å; I169-T182 PolarHBondContact N-O 2.79Å; I169-T182 PolarHBondContact O-N 3.43Å |
| 170 | V | 88.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.5 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | S140 F141 A143 L168 W179 E180 M197 | S140-V170 CarbonylContact C-O 3.59Å; S140-V170 VanDerWaalsContact CA-O 3.32Å; S140-V170 WeakPolarHBondContact CA-O 3.23Å; F141-V170 PolarHBondContact N-O 3.04Å; F141-V170 PolarHBondContact O-N 2.9Å; A143-V170 HydrophobicContact CB-CG2 3.7Å; L168-V170 HydrophobicContact CB-CG2 4.23Å; V170-W179 HydrophobicContact CG1-CB 3.32Å; V170-W179 HydrophobicContact CG1-CD2 3.49Å; V170-W179 VanDerWaalsContact CG1-CD2 3.49Å; V170-W179 HydrophobicContact CG1-CE3 3.3Å; V170-W179 HydrophobicContact CG1-CG 3.59Å; V170-W179 HydrophobicContact CG1-CZ3 4.17Å; V170-E180 CarbonylContact C-O 3.45Å; V170-E180 VanDerWaalsContact CA-O 3.25Å; V170-E180 WeakPolarHBondContact CA-O 3.45Å; V170-M197 HydrophobicContact CG2-CG 4.49Å |
| 171 | R | 85.6 | Confident | 80.2 | Confident | 132 Ų | 132 | 66.5 Ų | 66.5 | 50% | 0.498 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.4 | 177.6 | -62.2 | -175.1 | 178.1 | 159.5 | 0.2 | 110 | G139 T173 E180 | G139-R171 WeakPolarHBondContact O-CA 3.19Å; R171-T173 PolarHBondContact O-N 3Å; R171-E180 HydrophobicContact CB-CB 4.24Å; R171-E180 PolarHBondContact N-O 3.43Å; R171-E180 PolarHBondContact O-N 2.99Å |
| 172 | D | 79.8 | Confident | 80.6 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.5 | 175 | -166.1 | -7.6 | 0 | 0 | 0 | 109.7 | G139 G174 | G139-D172 PolarHBondContact O-N 3.42Å; D172-G174 PolarHBondContact OD1-N 3.41Å |
| 173 | T | 72.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | trans | -97.1 | -1.1 | -179.9 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | R171 K175 V178 E180 | R171-T173 PolarHBondContact O-N 3Å; T173-K175 PolarHBondContact O-N 3.05Å; T173-V178 PolarHBondContact OG1-O 3.33Å; T173-E180 HydrophobicContact CG2-CB 4Å; T173-E180 HydrophobicContact CG2-CG 3.54Å; T173-E180 WeakPolarHBondContact CG2-OE1 3.47Å | ||
| 174 | G | 66.4 | Low | 80.9 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 73.7 | 5.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D172 | D172-G174 PolarHBondContact OD1-N 3.41Š|
| 175 | K | 66.1 | Low | 80.7 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -90.4 | 136.9 | 173.2 | -66.3 | 179.4 | -179.2 | 175.4 | 0 | 110.4 | T173 N177 | T173-K175 PolarHBondContact O-N 3.05Å; K175-N177 PolarHBondContact O-N 3.42Å |
| 176 | D | 61.1 | Low | 80.3 | Confident | 153 Ų | 153 | 55.7 Ų | 55.7 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 118.9 | 179.2 | -75.3 | -28.3 | 0 | 0 | 0 | 111 | ||
| 177 | N | 73.9 | Confident | 79.9 | Confident | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 1.5 | 171.4 | -50.9 | -47.5 | 0 | 0 | 0 | 119.2 | K175 V194 | K175-N177 PolarHBondContact O-N 3.42Å; N177-V194 WeakPolarHBondContact O-CG2 3.17Å; N177-V194 PolarHBondContact O-N 3.45Å; N177-V194 VanDerWaalsContact O-N 3.1Å |
| 178 | V | 81.3 | Confident | 79.7 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.5 | 179.4 | -171.7 | 0 | 0 | 0 | 0 | 112 | T173 Q191 | T173-V178 PolarHBondContact OG1-O 3.33Å; V178-Q191 HydrophobicContact CG1-CB 3.68Å; V178-Q191 HydrophobicContact CG1-CG 4.01Å |
| 179 | W | 85.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 156.9 | 174.7 | -68.5 | -29.5 | 0 | 0 | 0 | 111.7 | L136 F141 V170 Q191 V192 V194 M197 | L136-W179 HydrophobicContact CD2-CZ2 4Å; F141-W179 HydrophobicContact CE2-CZ3 4.49Å; F141-W179 AromaticContact CZ-CH2 3.66Å; F141-W179 HydrophobicContact CZ-CH2 3.66Å; F141-W179 HydrophobicContact CZ-CZ2 4.12Å; F141-W179 AromaticContact CZ-CZ3 3.91Å; F141-W179 HydrophobicContact CZ-CZ3 3.91Å; V170-W179 HydrophobicContact CG1-CB 3.32Å; V170-W179 HydrophobicContact CG1-CD2 3.49Å; V170-W179 VanDerWaalsContact CG1-CD2 3.49Å; V170-W179 HydrophobicContact CG1-CE3 3.3Å; V170-W179 HydrophobicContact CG1-CG 3.59Å; V170-W179 HydrophobicContact CG1-CZ3 4.17Å; W179-Q191 CarbonylContact O-C 3.51Å; W179-Q191 WeakPolarHBondContact O-CA 3.35Å; W179-V192 PolarHBondContact N-O 3.02Å; W179-V192 PolarHBondContact O-N 3Å; W179-V194 HydrophobicContact CD2-CB 4.3Å; W179-V194 HydrophobicContact CD2-CG1 4.42Å; W179-V194 HydrophobicContact CD2-CG2 3.62Å; W179-V194 HydrophobicContact CE3-CB 4.28Å; W179-V194 HydrophobicContact CE3-CG1 4.33Å; W179-V194 HydrophobicContact CE3-CG2 4.08Å; W179-V194 HydrophobicContact CG-CG2 3.87Å; W179-V194 HydrophobicContact CH2-CG1 3.7Å; W179-V194 HydrophobicContact CZ2-CB 4.45Å; W179-V194 HydrophobicContact CZ2-CG1 3.72Å; W179-V194 HydrophobicContact CZ2-CG2 4.13Å; W179-V194 HydrophobicContact CZ3-CB 4.42Å; W179-V194 HydrophobicContact CZ3-CG1 4.02Å; W179-M197 HydrophobicContact CE3-CB 4.05Å; W179-M197 HydrophobicContact CE3-CG 4.47Å; W179-M197 HydrophobicContact CZ3-CB 3.83Å |
| 180 | E | 86.6 | Confident | 79.2 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.4 | 167.1 | -86.3 | 171.5 | -157.9 | 0 | 0 | 109.1 | V170 R171 T173 | V170-E180 CarbonylContact C-O 3.45Å; V170-E180 VanDerWaalsContact CA-O 3.25Å; V170-E180 WeakPolarHBondContact CA-O 3.45Å; R171-E180 HydrophobicContact CB-CB 4.24Å; R171-E180 PolarHBondContact N-O 3.43Å; R171-E180 PolarHBondContact O-N 2.99Å; T173-E180 HydrophobicContact CG2-CB 4Å; T173-E180 HydrophobicContact CG2-CG 3.54Å; T173-E180 WeakPolarHBondContact CG2-OE1 3.47Å |
| 181 | G | 86.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I169 H189 G190 | I169-G181 CarbonylContact O-C 3.55Å; I169-G181 VanDerWaalsContact O-CA 3.26Å; I169-G181 WeakPolarHBondContact O-CA 3.41Å; G181-H189 WeakPolarHBondContact O-CA 3.48Å; G181-G190 PolarHBondContact N-O 3.48Å; G181-G190 PolarHBondContact O-N 2.88Å; G181-G190 VanDerWaalsContact O-O 3.05Å |
| 182 | T | 87.6 | Confident | 79 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131 | 162.7 | 82.7 | 0 | 0 | 0 | 0 | 111.7 | L168 I169 N188 H189 | L168-T182 CarbonylContact C-O 3.49Å; L168-T182 WeakPolarHBondContact CA-O 3.26Å; I169-T182 HydrophobicContact CG2-CG2 4.43Å; I169-T182 WeakPolarHBondContact CG2-OG1 3.29Å; I169-T182 PolarHBondContact N-O 2.79Å; I169-T182 PolarHBondContact O-N 3.43Å; T182-N188 CarbonylContact C-O 3.57Å; T182-N188 WeakPolarHBondContact CA-O 3.21Å; T182-H189 HydrophobicContact CG2-CB 3.83Å |
| 183 | M | 84.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.1 | -175 | -170.4 | -177 | -71.6 | 0 | 0 | 110.8 | S161 F162 A185 T186 G187 N188 | S161-M183 WeakPolarHBondContact O-CE 3.48Å; F162-M183 HydrophobicContact CB-CE 4.03Å; M183-A185 HydrophobicContact CG-CB 4.33Å; M183-A185 PolarHBondContact O-N 3.43Å; M183-A185 HydrophobicContact SD-CB 4.37Å; M183-T186 HydrophobicContact SD-CG2 3.92Å; M183-T186 PolarHBondContact SD-OG1 3.21Å; M183-G187 WeakPolarHBondContact O-CA 3.19Å; M183-G187 PolarHBondContact O-N 3.36Å; M183-N188 PolarHBondContact N-O 3.38Å |
| 184 | L | 83.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.4 | -178.9 | -71.9 | -179.1 | 0 | 0 | 0 | 114 | F142 L167 L209 A216 V590 | F142-L184 HydrophobicContact CD1-CD1 3.93Å; F142-L184 HydrophobicContact CD1-CD2 4.14Å; F142-L184 HydrophobicContact CD1-CG 4.4Å; F142-L184 HydrophobicContact CE1-CD1 4.37Å; F142-L184 HydrophobicContact CE1-CD2 3.86Å; L167-L184 HydrophobicContact CB-CB 4.47Å; L167-L184 HydrophobicContact CB-CD1 3.79Å; L167-L184 HydrophobicContact CB-CG 4.43Å; L167-L184 WeakPolarHBondContact O-CB 3.47Å; L167-L184 PolarHBondContact O-N 3.12Å; L184-L209 HydrophobicContact CD1-CD1 3.9Å; L184-L209 HydrophobicContact CD1-CD2 4.42Å; L184-A216 PolarHBondContact O-N 3.2Å; L184-V590 HydrophobicContact CB-CG2 4.08Å; L184-V590 HydrophobicContact CD1-CG2 4.5Å |
| 185 | A | 76.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -51.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | M183 V590 | M183-A185 HydrophobicContact CG-CB 4.33Å; M183-A185 PolarHBondContact O-N 3.43Å; M183-A185 HydrophobicContact SD-CB 4.37Å; A185-V590 HydrophobicContact CB-CG1 4.27Å |
| 186 | T | 74.5 | Confident | 81.1 | Confident | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -21.3 | -173.2 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | M183 N188 | M183-T186 HydrophobicContact SD-CG2 3.92Å; M183-T186 PolarHBondContact SD-OG1 3.21Å; T186-N188 VanDerWaalsContact C-N 3.28Å; T186-N188 PolarHBondContact OG1-N 3.14Å |
| 187 | G | 75.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | trans | 82.7 | -3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M183 H189 | M183-G187 WeakPolarHBondContact O-CA 3.19Å; M183-G187 PolarHBondContact O-N 3.36Å; G187-H189 PolarHBondContact O-CE1 3.11Å; G187-H189 PolarHBondContact O-ND1 2.99Å | ||
| 188 | N | 81.2 | Confident | 82.8 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | trans | -60 | 143.8 | -178.1 | -67.9 | -3.8 | 0 | 0 | 0 | 111.8 | L160 T182 M183 T186 | L160-N188 HydrophobicContact CD1-CB 3.69Å; T182-N188 CarbonylContact C-O 3.57Å; T182-N188 WeakPolarHBondContact CA-O 3.21Å; M183-N188 PolarHBondContact N-O 3.38Å; T186-N188 VanDerWaalsContact C-N 3.28Å; T186-N188 PolarHBondContact OG1-N 3.14Å | ||
| 189 | H | 83.4 | Confident | 83 | Confident | 152 Ų | 152 | 45.1 Ų | 45.1 | 70% | 0.704 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.8 | -174.1 | -5.6 | -63 | 0 | 0 | 0 | 109.7 | G181 T182 G187 | G181-H189 WeakPolarHBondContact O-CA 3.48Å; T182-H189 HydrophobicContact CG2-CB 3.83Å; G187-H189 PolarHBondContact O-CE1 3.11Å; G187-H189 PolarHBondContact O-ND1 2.99Å |
| 190 | G | 85.1 | Confident | 82.9 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -177.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G181 | G181-G190 PolarHBondContact N-O 3.48Å; G181-G190 PolarHBondContact O-N 2.88Å; G181-G190 VanDerWaalsContact O-O 3.05Å |
| 191 | Q | 84.5 | Confident | 82.2 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142 | 178.8 | -71.2 | 178.4 | 16.3 | 0 | 0 | 111.7 | E158 Q159 L160 V178 W179 | E158-Q191 HydrophobicContact CB-CG 4.49Å; E158-Q191 WeakPolarHBondContact O-CB 3.28Å; E158-Q191 PolarHBondContact O-N 3.12Å; E158-Q191 PolarHBondContact OE2-NE2 3.4Å; Q159-Q191 HydrophobicContact CG-CB 4.31Å; L160-Q191 PolarHBondContact N-O 3.43Å; V178-Q191 HydrophobicContact CG1-CB 3.68Å; V178-Q191 HydrophobicContact CG1-CG 4.01Å; W179-Q191 CarbonylContact O-C 3.51Å; W179-Q191 WeakPolarHBondContact O-CA 3.35Å |
| 192 | V | 84.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.2 | -174 | 178.9 | 0 | 0 | 0 | 0 | 110 | L160 F162 L168 W179 M197 | L160-V192 HydrophobicContact CB-CG2 4.08Å; L160-V192 HydrophobicContact CD2-CG2 4.08Å; F162-V192 HydrophobicContact CE1-CG1 3.91Å; F162-V192 HydrophobicContact CE1-CG2 4.27Å; F162-V192 HydrophobicContact CZ-CG1 4.2Å; L168-V192 HydrophobicContact CD2-CG2 4.17Å; W179-V192 PolarHBondContact N-O 3.02Å; W179-V192 PolarHBondContact O-N 3Å; V192-M197 HydrophobicContact CB-CE 4.46Å; V192-M197 HydrophobicContact CG1-CE 3.06Å; V192-M197 HydrophobicContact CG1-CG 3.34Å; V192-M197 HydrophobicContact CG1-SD 3.73Å |
| 193 | P | 83.5 | Confident | 81.6 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 13% | 0.13 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135.4 | 178.7 | 24 | -28.2 | 0 | 0 | 0 | 112.4 | H195 A196 | P193-H195 VanDerWaalsContact C-N 3.3Å; P193-H195 VanDerWaalsContact CB-CE1 3.44Å; P193-H195 WeakPolarHBondContact CB-CE1 3.23Å; P193-H195 PolarHBondContact O-N 3.3Å; P193-A196 HydrophobicContact CG-CB 3.81Å; P193-A196 PolarHBondContact O-N 3.46Å; P193-A196 VanDerWaalsContact O-N 3.1Å |
| 194 | V | 82.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -55.2 | -42.8 | -178.2 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | N177 W179 A196 M197 | N177-V194 WeakPolarHBondContact O-CG2 3.17Å; N177-V194 PolarHBondContact O-N 3.45Å; N177-V194 VanDerWaalsContact O-N 3.1Å; W179-V194 HydrophobicContact CD2-CB 4.3Å; W179-V194 HydrophobicContact CD2-CG1 4.42Å; W179-V194 HydrophobicContact CD2-CG2 3.62Å; W179-V194 HydrophobicContact CE3-CB 4.28Å; W179-V194 HydrophobicContact CE3-CG1 4.33Å; W179-V194 HydrophobicContact CE3-CG2 4.08Å; W179-V194 HydrophobicContact CG-CG2 3.87Å; W179-V194 HydrophobicContact CH2-CG1 3.7Å; W179-V194 HydrophobicContact CZ2-CB 4.45Å; W179-V194 HydrophobicContact CZ2-CG1 3.72Å; W179-V194 HydrophobicContact CZ2-CG2 4.13Å; W179-V194 HydrophobicContact CZ3-CB 4.42Å; W179-V194 HydrophobicContact CZ3-CG1 4.02Å; V194-A196 PolarHBondContact O-N 2.97Å; V194-M197 PolarHBondContact O-N 3.43Å |
| 195 | H | 81.5 | Confident | 82.1 | Confident | 144 Ų | 144 | 45.1 Ų | 45.1 | 67% | 0.667 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -70.2 | -16.7 | -176.5 | 64 | -92.7 | 0 | 0 | 0 | 114 | P193 | P193-H195 VanDerWaalsContact C-N 3.3Å; P193-H195 VanDerWaalsContact CB-CE1 3.44Å; P193-H195 WeakPolarHBondContact CB-CE1 3.23Å; P193-H195 PolarHBondContact O-N 3.3Å |
| 196 | A | 81.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -90.1 | -3.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L146 L147 F162 P193 V194 | L146-A196 PolarHBondContact N-O 3.28Å; L147-A196 HydrophobicContact CD1-CB 4.41Å; F162-A196 HydrophobicContact CE2-CB 4.33Å; F162-A196 HydrophobicContact CZ-CB 4.17Å; P193-A196 HydrophobicContact CG-CB 3.81Å; P193-A196 PolarHBondContact O-N 3.46Å; P193-A196 VanDerWaalsContact O-N 3.1Å; V194-A196 PolarHBondContact O-N 2.97Å |
| 197 | M | 84.6 | Confident | 83.5 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.1 | -173.1 | -67.5 | -60.7 | 141.6 | 0 | 0 | 111.2 | A143 A145 F162 L168 V170 W179 V192 V194 | A143-M197 HydrophobicContact CB-CB 4.24Å; A143-M197 HydrophobicContact CB-SD 4.47Å; A145-M197 HydrophobicContact CB-CE 3.79Å; A145-M197 HydrophobicContact CB-SD 4.38Å; F162-M197 HydrophobicContact CD1-CE 4.15Å; F162-M197 HydrophobicContact CD2-CE 3.9Å; F162-M197 HydrophobicContact CE1-CE 3.83Å; F162-M197 HydrophobicContact CE2-CE 3.54Å; F162-M197 HydrophobicContact CG-CE 4.2Å; F162-M197 HydrophobicContact CZ-CE 3.5Å; L168-M197 HydrophobicContact CD1-CE 3.97Å; L168-M197 HydrophobicContact CD1-SD 3.96Å; V170-M197 HydrophobicContact CG2-CG 4.49Å; W179-M197 HydrophobicContact CE3-CB 4.05Å; W179-M197 HydrophobicContact CE3-CG 4.47Å; W179-M197 HydrophobicContact CZ3-CB 3.83Å; V192-M197 HydrophobicContact CB-CE 4.46Å; V192-M197 HydrophobicContact CG1-CE 3.06Å; V192-M197 HydrophobicContact CG1-CG 3.34Å; V192-M197 HydrophobicContact CG1-SD 3.73Å; V194-M197 PolarHBondContact O-N 3.43Å |
| 198 | Q | 85 | Confident | 84.2 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.6 | 172.5 | -170.6 | -178.3 | 13.1 | 0 | 0 | 109.1 | A143 K144 L146 | A143-Q198 CarbonylContact C-O 3.57Å; A143-Q198 WeakPolarHBondContact CA-O 3.46Å; A143-Q198 WeakPolarHBondContact CB-O 3.36Å; K144-Q198 PolarHBondContact N-O 2.99Å; K144-Q198 PolarHBondContact O-N 3.07Å; L146-Q198 HydrophobicContact CD1-CB 4.15Å; L146-Q198 HydrophobicContact CD2-CB 3.94Å; L146-Q198 HydrophobicContact CG-CB 4Å |
| 199 | P | 85.4 | Confident | 84.6 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 149.4 | 170.8 | -17 | 23.6 | 0 | 0 | 0 | 111.6 | Y131 L132 L135 F141 | Y131-P199 HydrophobicContact CE1-CB 4.45Å; L132-P199 HydrophobicContact CD1-CG 3.4Å; L132-P199 VanDerWaalsContact CD1-CG 3.4Å; L135-P199 HydrophobicContact CD1-CB 3.68Å; L135-P199 HydrophobicContact CD1-CG 4.4Å; F141-P199 HydrophobicContact CD2-CB 4.34Å; F141-P199 HydrophobicContact CE2-CB 4.28Å; F141-P199 HydrophobicContact CE2-CG 4.13Å |
| 200 | L | 84.6 | Confident | 84.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -56.5 | 128.7 | 178.4 | -73 | 179.7 | 0 | 0 | 0 | 110.9 | Y131 F142 K144 L167 Y202 L209 | Y131-L200 WeakPolarHBondContact CE1-O 3.39Å; Y131-L200 PolarHBondContact OH-O 3Å; F142-L200 HydrophobicContact CB-CD1 3.56Å; F142-L200 HydrophobicContact CB-CG 4.11Å; F142-L200 PolarHBondContact O-N 3.39Å; F142-L200 VanDerWaalsContact O-N 3.16Å; K144-L200 HydrophobicContact CB-CD2 4.32Å; L167-L200 HydrophobicContact CD1-CD2 4.27Å; L167-L200 HydrophobicContact CD2-CD2 3.58Å; L200-Y202 VanDerWaalsContact C-N 3.26Å; L200-Y202 PolarHBondContact O-N 3.07Å; L200-L209 HydrophobicContact CD1-CD1 3.83Å | ||
| 201 | P | 70.5 | Confident | 84.9 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -69.9 | -22.9 | -172.2 | 26.6 | -34.8 | 0 | 0 | 0 | 113.2 | P203 | P201-P203 WeakPolarHBondContact O-CD 3.12Š|
| 202 | Y | 79.1 | Confident | 85.1 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -105.1 | 111.2 | 176.8 | -63.6 | -70.6 | 0 | 0 | 0 | 110.5 | L200 F204 Y205 F626 | L200-Y202 VanDerWaalsContact C-N 3.26Å; L200-Y202 PolarHBondContact O-N 3.07Å; Y202-F204 PolarHBondContact O-N 2.82Å; Y202-Y205 HydrophobicContact CD2-CD2 4.26Å; Y202-Y205 AromaticContact CD2-CE2 3.65Å; Y202-Y205 HydrophobicContact CD2-CE2 3.65Å; Y202-Y205 HydrophobicContact CG-CE2 4.28Å; Y202-Y205 PolarHBondContact O-N 3.31Å; Y202-F626 HydrophobicContact CD1-CE1 4.34Å; Y202-F626 HydrophobicContact CD1-CZ 4.28Å; Y202-F626 HydrophobicContact CE1-CE1 4.01Å; Y202-F626 AromaticContact CE1-CZ 3.8Å; Y202-F626 HydrophobicContact CE1-CZ 3.8Å |
| 203 | P | 82.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -22.5 | -179.5 | -30.9 | 39.8 | 0 | 0 | 0 | 114.8 | I81 W82 Y131 P201 Y205 Q206 W207 | I81-P203 HydrophobicContact CG2-CG 4.27Å; W82-P203 HydrophobicContact CB-CB 3.32Å; W82-P203 HydrophobicContact CB-CG 4.49Å; Y131-P203 HydrophobicContact CD1-CG 4.39Å; Y131-P203 HydrophobicContact CD2-CB 4.27Å; Y131-P203 HydrophobicContact CD2-CG 3.98Å; Y131-P203 HydrophobicContact CE1-CG 4.19Å; Y131-P203 HydrophobicContact CE2-CB 3.76Å; Y131-P203 HydrophobicContact CE2-CG 3.77Å; Y131-P203 HydrophobicContact CG-CG 4.28Å; P201-P203 WeakPolarHBondContact O-CD 3.12Å; P203-Y205 VanDerWaalsContact C-N 3.33Å; P203-Y205 PolarHBondContact O-N 2.71Å; P203-Q206 WeakPolarHBondContact O-CB 3.33Å; P203-Q206 PolarHBondContact O-N 3.44Å; P203-W207 PolarHBondContact O-N 2.87Å |
| 204 | F | 88.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.6 | -41.9 | 171.5 | 172.2 | -95.8 | 0 | 0 | 0 | 112.7 | W82 Y202 Q206 W207 F208 P619 R623 | W82-F204 HydrophobicContact CE3-CD2 4.43Å; W82-F204 HydrophobicContact CZ3-CD2 4.41Å; Y202-F204 PolarHBondContact O-N 2.82Å; F204-Q206 VanDerWaalsContact C-N 3.28Å; F204-Q206 PolarHBondContact O-N 2.68Å; F204-W207 HydrophobicContact CD2-CE3 4.07Å; F204-W207 HydrophobicContact CD2-CZ3 4.38Å; F204-W207 AromaticContact CE2-CE3 3.86Å; F204-W207 HydrophobicContact CE2-CE3 3.86Å; F204-W207 AromaticContact CE2-CZ3 3.73Å; F204-W207 HydrophobicContact CE2-CZ3 3.73Å; F204-W207 HydrophobicContact CZ-CZ3 4.28Å; F204-W207 PolarHBondContact O-N 3.05Å; F204-F208 HydrophobicContact CE1-CB 4.31Å; F204-F208 HydrophobicContact CZ-CB 4.43Å; F204-F208 WeakPolarHBondContact O-CB 3.06Å; F204-F208 PolarHBondContact O-N 3.45Å; F204-P619 HydrophobicContact CE2-CB 4.45Å; F204-R623 HydrophobicContact CD1-CG 3.92Å; F204-R623 HydrophobicContact CD2-CB 4.3Å; F204-R623 HydrophobicContact CD2-CG 4.48Å; F204-R623 HydrophobicContact CE1-CB 4.22Å; F204-R623 HydrophobicContact CE1-CG 3.63Å; F204-R623 HydrophobicContact CE2-CB 3.89Å; F204-R623 HydrophobicContact CE2-CG 4.21Å; F204-R623 HydrophobicContact CG-CG 4.35Å; F204-R623 HydrophobicContact CZ-CB 3.85Å; F204-R623 HydrophobicContact CZ-CG 3.78Å |
| 205 | Y | 89.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 179.2 | -62.9 | -30.3 | 0 | 0 | 0 | 111.7 | Y202 P203 W207 F208 L209 V589 E597 R623 | Y202-Y205 HydrophobicContact CD2-CD2 4.26Å; Y202-Y205 AromaticContact CD2-CE2 3.65Å; Y202-Y205 HydrophobicContact CD2-CE2 3.65Å; Y202-Y205 HydrophobicContact CG-CE2 4.28Å; Y202-Y205 PolarHBondContact O-N 3.31Å; P203-Y205 VanDerWaalsContact C-N 3.33Å; P203-Y205 PolarHBondContact O-N 2.71Å; Y205-W207 VanDerWaalsContact C-N 3.34Å; Y205-W207 PolarHBondContact O-N 3.4Å; Y205-F208 PolarHBondContact O-N 2.61Å; Y205-L209 WeakPolarHBondContact O-CB 3.41Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.44Å; Y205-L209 PolarHBondContact O-N 2.86Å; Y205-V589 HydrophobicContact CD1-CG1 4.01Å; Y205-V589 HydrophobicContact CD1-CG2 3.75Å; Y205-V589 HydrophobicContact CD2-CG1 4.21Å; Y205-V589 HydrophobicContact CE1-CG1 4.25Å; Y205-V589 HydrophobicContact CE1-CG2 3.63Å; Y205-V589 HydrophobicContact CE2-CG1 4.43Å; Y205-V589 HydrophobicContact CG-CG1 4Å; Y205-E597 WeakPolarHBondContact CE1-OE1 3.47Å; Y205-E597 WeakPolarHBondContact CE1-OE2 3.31Å; Y205-E597 PolarHBondContact OH-OE2 3.01Å; Y205-R623 VanDerWaalsContact CE1-NH2 3.3Å; Y205-R623 PolarHBondContact OH-NH2 3.45Å |
| 206 | Q | 90.3 | Very high | 83.7 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.6 | -170 | 64.2 | 27 | 0 | 0 | 111.4 | V78 Y131 L135 F141 F142 P203 F204 R210 | V78-Q206 HydrophobicContact CG1-CB 4.37Å; V78-Q206 HydrophobicContact CG1-CG 4.09Å; Y131-Q206 WeakPolarHBondContact OH-CB 3.4Å; L135-Q206 HydrophobicContact CD2-CG 3.69Å; F141-Q206 VanDerWaalsContact CA-NE2 3.26Å; F142-Q206 PolarHBondContact O-OE1 3.27Å; P203-Q206 WeakPolarHBondContact O-CB 3.33Å; P203-Q206 PolarHBondContact O-N 3.44Å; F204-Q206 VanDerWaalsContact C-N 3.28Å; F204-Q206 PolarHBondContact O-N 2.68Å; Q206-R210 WeakPolarHBondContact O-CB 3.23Å; Q206-R210 PolarHBondContact O-N 3.34Å |
| 207 | W | 89.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 45 Ų | 45 | 11% | 0.106 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 175.4 | 170.1 | 87.1 | 0 | 0 | 0 | 112 | W82 P203 F204 Y205 R210 K211 P619 F620 | W82-W207 HydrophobicContact CZ2-CD2 4.37Å; W82-W207 AromaticContact NE1-CD1 3.55Å; W82-W207 AromaticContact NE1-CG 3.5Å; P203-W207 PolarHBondContact O-N 2.87Å; F204-W207 HydrophobicContact CD2-CE3 4.07Å; F204-W207 HydrophobicContact CD2-CZ3 4.38Å; F204-W207 AromaticContact CE2-CE3 3.86Å; F204-W207 HydrophobicContact CE2-CE3 3.86Å; F204-W207 AromaticContact CE2-CZ3 3.73Å; F204-W207 HydrophobicContact CE2-CZ3 3.73Å; F204-W207 HydrophobicContact CZ-CZ3 4.28Å; F204-W207 PolarHBondContact O-N 3.05Å; Y205-W207 VanDerWaalsContact C-N 3.34Å; Y205-W207 PolarHBondContact O-N 3.4Å; W207-R210 PolarHBondContact O-N 3.45Å; W207-K211 HydrophobicContact CH2-CD 4.06Å; W207-K211 HydrophobicContact CZ2-CD 3.47Å; W207-K211 VanDerWaalsContact CZ2-CD 3.47Å; W207-K211 WeakPolarHBondContact O-CB 3.44Å; W207-K211 PolarHBondContact O-N 2.87Å; W207-P619 HydrophobicContact CH2-CB 3.47Å; W207-P619 VanDerWaalsContact CH2-CB 3.47Å; W207-P619 HydrophobicContact CH2-CG 3.72Å; W207-P619 HydrophobicContact CZ2-CB 4.09Å; W207-P619 HydrophobicContact CZ2-CG 3.93Å; W207-P619 HydrophobicContact CZ3-CB 3.8Å; W207-F620 HydrophobicContact CH2-CZ 4.49Å |
| 208 | F | 91.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -51.3 | -176.7 | 171.1 | -103.3 | 0 | 0 | 0 | 111.9 | F204 Y205 R210 K211 Y212 K582 L585 R586 F620 | F204-F208 HydrophobicContact CE1-CB 4.31Å; F204-F208 HydrophobicContact CZ-CB 4.43Å; F204-F208 WeakPolarHBondContact O-CB 3.06Å; F204-F208 PolarHBondContact O-N 3.45Å; Y205-F208 PolarHBondContact O-N 2.61Å; F208-R210 PolarHBondContact O-N 3.17Å; F208-K211 PolarHBondContact O-N 3.48Å; F208-Y212 AromaticContact CD2-CD2 3.58Å; F208-Y212 HydrophobicContact CD2-CD2 3.58Å; F208-Y212 HydrophobicContact CD2-CE2 4.11Å; F208-Y212 AromaticContact CE2-CD2 3.52Å; F208-Y212 HydrophobicContact CE2-CD2 3.52Å; F208-Y212 HydrophobicContact CE2-CE2 4.2Å; F208-Y212 HydrophobicContact CE2-CG 4.29Å; F208-Y212 HydrophobicContact CZ-CD2 4.47Å; F208-Y212 PolarHBondContact O-N 3.16Å; F208-K582 WeakPolarHBondContact CZ-O 3.4Å; F208-L585 HydrophobicContact CD2-CD2 3.89Å; F208-L585 HydrophobicContact CE1-CB 4.22Å; F208-L585 HydrophobicContact CE1-CD2 4.25Å; F208-L585 HydrophobicContact CE1-CG 4.04Å; F208-L585 HydrophobicContact CE2-CB 4.36Å; F208-L585 HydrophobicContact CE2-CD2 3.55Å; F208-L585 HydrophobicContact CE2-CG 4.18Å; F208-L585 HydrophobicContact CG-CD2 4.41Å; F208-L585 HydrophobicContact CZ-CB 3.77Å; F208-L585 HydrophobicContact CZ-CD2 3.74Å; F208-L585 HydrophobicContact CZ-CG 3.85Å; F208-R586 HydrophobicContact CE1-CB 4.11Å; F208-F620 HydrophobicContact CD2-CE1 4.11Å; F208-F620 HydrophobicContact CD2-CZ 4.45Å; F208-F620 HydrophobicContact CE2-CE1 4.19Å |
| 209 | L | 89.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -29.5 | -178.3 | -66.3 | 172.9 | 0 | 0 | 0 | 112.2 | F142 L184 L200 Y205 Y212 R586 | F142-L209 HydrophobicContact CB-CD1 4.13Å; F142-L209 HydrophobicContact CD1-CB 4.3Å; F142-L209 HydrophobicContact CD1-CD1 4.01Å; F142-L209 HydrophobicContact CD2-CB 3.65Å; F142-L209 HydrophobicContact CD2-CD1 4.09Å; F142-L209 HydrophobicContact CE1-CB 4.02Å; F142-L209 HydrophobicContact CE1-CD1 4.46Å; F142-L209 HydrophobicContact CE2-CB 3.37Å; F142-L209 HydrophobicContact CG-CB 4.13Å; F142-L209 HydrophobicContact CG-CD1 3.81Å; F142-L209 HydrophobicContact CZ-CB 3.57Å; L184-L209 HydrophobicContact CD1-CD1 3.9Å; L184-L209 HydrophobicContact CD1-CD2 4.42Å; L200-L209 HydrophobicContact CD1-CD1 3.83Å; Y205-L209 WeakPolarHBondContact O-CB 3.41Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.44Å; Y205-L209 PolarHBondContact O-N 2.86Å; L209-Y212 CarbonylContact O-C 3.59Å; L209-R586 HydrophobicContact CD2-CG 3.75Å |
| 210 | R | 88.3 | Confident | 78.6 | Confident | 147 Ų | 147 | 49.9 Ų | 49.9 | 56% | 0.555 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -76.2 | -42.3 | 175.1 | -174.9 | 173.7 | 171.3 | -173.5 | -4.6 | 112.4 | E138 F142 Q206 W207 F208 Y212 | E138-R210 IonicContact OE1-CZ 2.81Å; E138-R210 IonicContact OE1-NH1 2.67Å; E138-R210 PolarHBondContact OE1-NH1 3.38Å; E138-R210 IonicContact OE1-NH2 2.84Å; E138-R210 IonicContact OE2-CZ 3.31Å; E138-R210 IonicContact OE2-NH1 2.86Å; E138-R210 PolarHBondContact OE2-NH1 2.61Å; F142-R210 HydrophobicContact CE2-CB 4.3Å; Q206-R210 WeakPolarHBondContact O-CB 3.23Å; Q206-R210 PolarHBondContact O-N 3.34Å; W207-R210 PolarHBondContact O-N 3.45Å; F208-R210 PolarHBondContact O-N 3.17Å; R210-Y212 VanDerWaalsContact C-N 3.32Å |
| 211 | K | 87 | Confident | 76.9 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 177.8 | -168.6 | 176.3 | 178.8 | -168.6 | 0 | 111.4 | W207 F208 D616 | W207-K211 HydrophobicContact CH2-CD 4.06Å; W207-K211 HydrophobicContact CZ2-CD 3.47Å; W207-K211 VanDerWaalsContact CZ2-CD 3.47Å; W207-K211 WeakPolarHBondContact O-CB 3.44Å; W207-K211 PolarHBondContact O-N 2.87Å; F208-K211 PolarHBondContact O-N 3.48Å; K211-D616 IonicContact NZ-OD1 3.8Å; K211-D616 PolarHBondContact NZ-OD1 2.9Å |
| 212 | Y | 86.9 | Confident | 76 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 11% | 0.114 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -127.8 | 79 | -178.2 | -51.7 | -70.3 | 0 | 0 | 0 | 111.3 | F208 L209 R210 K582 R586 F620 | F208-Y212 AromaticContact CD2-CD2 3.58Å; F208-Y212 HydrophobicContact CD2-CD2 3.58Å; F208-Y212 HydrophobicContact CD2-CE2 4.11Å; F208-Y212 AromaticContact CE2-CD2 3.52Å; F208-Y212 HydrophobicContact CE2-CD2 3.52Å; F208-Y212 HydrophobicContact CE2-CE2 4.2Å; F208-Y212 HydrophobicContact CE2-CG 4.29Å; F208-Y212 HydrophobicContact CZ-CD2 4.47Å; F208-Y212 PolarHBondContact O-N 3.16Å; L209-Y212 CarbonylContact O-C 3.59Å; R210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-K582 HydrophobicContact CD1-CD 3.72Å; Y212-K582 HydrophobicContact CD1-CG 4.45Å; Y212-K582 HydrophobicContact CE1-CD 4Å; Y212-K582 HydrophobicContact CG-CD 4.14Å; Y212-K582 HydrophobicContact CG-CG 4.43Å; Y212-R586 PolarHBondContact O-NH2 3.48Å; Y212-F620 HydrophobicContact CE2-CZ 4.06Å |
| 213 | P | 81 | Confident | 74.6 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | trans | -71.1 | 151.3 | -179.8 | 29.8 | -35.3 | 0 | 0 | 0 | 112.3 | R586 | P213-R586 VanDerWaalsContact C-NH2 3.32Å; P213-R586 PolarHBondContact O-NH2 3.23Å | ||
| 214 | G | 77.5 | Confident | 73.6 | Confident | 42 Ų | 42 | 67 Ų | 67 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | trans | 154.9 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R586 | G214-R586 VanDerWaalsContact C-NH1 3.35Å; G214-R586 WeakPolarHBondContact O-CD 3.47Å; G214-R586 PolarHBondContact O-NE 2.91Å | ||
| 215 | Q | 74.5 | Confident | 72.4 | Confident | 121 Ų | 121 | 71 Ų | 71 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | trans | -81.4 | 153.5 | 176.5 | -67.3 | 173.4 | -11.8 | 0 | 0 | 111 | L583 R586 | Q215-L583 WeakPolarHBondContact O-CD1 3.46Å; Q215-R586 PolarHBondContact O-NH1 3.07Å | ||
| 216 | A | 69.9 | Low | 71.4 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | trans | -87.3 | -17.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L184 C218 R586 V590 | L184-A216 PolarHBondContact O-N 3.2Å; A216-C218 PolarHBondContact O-N 3.22Å; A216-R586 HydrophobicContact CB-CG 4.16Å; A216-V590 HydrophobicContact CB-CB 4.19Å; A216-V590 HydrophobicContact CB-CG2 3.75Å | ||
| 217 | G | 63.4 | Low | 70.2 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | trans | 58.7 | 43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 218 | C | 61.4 | Low | 69.3 | Low | 37 Ų | 37 | 81.3 Ų | 81.3 | 25% | 0.25 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 130.8 | -178.5 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | A216 | A216-C218 PolarHBondContact O-N 3.22Š|
| 219 | S | 55.1 | Low | 68.5 | Low | 75 Ų | 75 | 82.3 Ų | 82.3 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 152.1 | 165.1 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | V221 | S219-V221 PolarHBondContact O-N 2.86Š|
| 220 | P | 49.3 | Very low | 68.1 | Low | 117 Ų | 117 | 82.5 Ų | 82.5 | 76% | 0.76 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -61 | 137.9 | 177.5 | 24.1 | -32.2 | 0 | 0 | 0 | 111 | E222 | P220-E222 PolarHBondContact O-N 3.44Š|
| 221 | V | 50.8 | Low | 67.8 | Low | 108 Ų | 108 | 75.8 Ų | 75.8 | 66% | 0.655 | 42% | 0.424 | S | S | * | . | trans | -59.9 | 109.3 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | S219 E224 | S219-V221 PolarHBondContact O-N 2.86Å; V221-E224 HydrophobicContact CG1-CG 4.31Å | ||
| 222 | E | 50.2 | Low | 67.7 | Low | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.542 | 42% | 0.417 | S | S | . | . | trans | -69 | 154.8 | 168.6 | -69.2 | 177.1 | 165.3 | 0 | 0 | 110.7 | P220 E224 A286 | P220-E222 PolarHBondContact O-N 3.44Å; E222-E224 PolarHBondContact O-N 2.76Å; E222-A286 WeakPolarHBondContact OE2-CB 3.3Å | ||
| 223 | K | 51 | Low | 67.7 | Low | 204 Ų | 204 | 73.5 Ų | 73.5 | 89% | 0.887 | 43% | 0.426 | S | S | * | . | trans | -49.2 | 128.3 | -178.4 | -74.8 | 178.5 | 176.8 | 176.7 | 0 | 111.8 | L225 | K223-L225 PolarHBondContact O-N 3.11Š| ||
| 224 | E | 60.3 | Low | 68 | Low | 108 Ų | 108 | 69.6 Ų | 69.6 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | trans | -82.4 | 114.8 | -170.5 | -59.9 | -173.8 | 150.2 | 0 | 0 | 112 | V221 E222 R265 | V221-E224 HydrophobicContact CG1-CG 4.31Å; E222-E224 PolarHBondContact O-N 2.76Å; E224-R265 IonicContact OE1-CZ 3.76Å; E224-R265 IonicContact OE1-NE 2.88Å; E224-R265 IonicContact OE1-NH2 3.13Å; E224-R265 PolarHBondContact OE1-NH2 2.91Å; E224-R265 IonicContact OE2-NH2 3.76Å; E224-R265 PolarHBondContact OE2-NH2 2.88Å | ||
| 225 | L | 63.7 | Low | 68.6 | Low | 91 Ų | 91 | 67.6 Ų | 67.6 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | trans | -103.4 | -11 | 176.9 | -68.5 | 171.3 | 0 | 0 | 0 | 113.9 | K223 I238 | K223-L225 PolarHBondContact O-N 3.11Å; L225-I238 HydrophobicContact CD1-CD1 3.92Å | ||
| 226 | F | 68.7 | Low | 69.4 | Low | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | trans | -117.8 | 123.3 | -179.4 | -68.2 | -94.2 | 0 | 0 | 0 | 109.5 | L263 R285 V288 P290 | F226-L263 HydrophobicContact CE1-CD1 4.27Å; F226-L263 HydrophobicContact CZ-CD1 4.17Å; F226-R285 HydrophobicContact CD2-CG 4.1Å; F226-R285 HydrophobicContact CE2-CG 3.91Å; F226-V288 HydrophobicContact CE2-CG2 4.45Å; F226-V288 HydrophobicContact CZ-CG2 4.29Å; F226-P290 HydrophobicContact CD1-CB 4.01Å; F226-P290 HydrophobicContact CD1-CG 4.19Å; F226-P290 HydrophobicContact CE1-CB 3.71Å; F226-P290 HydrophobicContact CE1-CG 4.14Å; F226-P290 HydrophobicContact CZ-CB 4.47Å | ||
| 227 | E | 64.6 | Low | 70.3 | Confident | 200 Ų | 200 | 64 Ų | 64 | 94% | 0.935 | 36% | 0.364 | S | S | * | . | trans | -80.3 | -33.8 | -176.5 | -65.1 | -179.6 | 172.9 | 0 | 0 | 113.2 | ||||
| 228 | S | 70.3 | Confident | 71.6 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -91.7 | 149 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 229 | A | 74.9 | Confident | 72.8 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -76.1 | -32.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R265 L595 | A229-R265 HydrophobicContact CB-CB 4.5Å; A229-R265 PolarHBondContact O-N 3.28Å; A229-L595 HydrophobicContact CB-CD1 3.47Å; A229-L595 VanDerWaalsContact CB-CD1 3.47Å |
| 230 | I | 80.6 | Confident | 74.4 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.9 | 175.1 | -49.8 | -172.6 | 0 | 0 | 0 | 108.7 | L262 L263 M264 L296 V301 F302 L595 | I230-L262 HydrophobicContact CG2-CB 4.14Å; I230-L262 HydrophobicContact CG2-CD1 4.43Å; I230-L262 HydrophobicContact CG2-CD2 4.14Å; I230-L262 HydrophobicContact CG2-CG 4.48Å; I230-L263 WeakPolarHBondContact CA-O 3.26Å; I230-M264 HydrophobicContact CB-SD 4.16Å; I230-M264 HydrophobicContact CD1-CE 3.6Å; I230-M264 HydrophobicContact CD1-SD 3.53Å; I230-M264 VanDerWaalsContact CD1-SD 3.53Å; I230-M264 HydrophobicContact CG1-CE 3.79Å; I230-M264 HydrophobicContact CG1-SD 3.49Å; I230-M264 WeakPolarHBondContact CG1-SD 3.4Å; I230-M264 HydrophobicContact CG2-SD 3.82Å; I230-L296 HydrophobicContact CB-CB 4.47Å; I230-L296 HydrophobicContact CG2-CB 4.23Å; I230-L296 HydrophobicContact CG2-CD2 4.31Å; I230-L296 PolarHBondContact O-N 3.28Å; I230-V301 WeakPolarHBondContact CD1-O 3.36Å; I230-F302 HydrophobicContact CD1-CB 4.21Å; I230-L595 HydrophobicContact CD1-CB 4.25Å |
| 231 | V | 82.6 | Confident | 76.2 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141 | -171.5 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | I259 L263 A293 K294 | V231-I259 HydrophobicContact CG1-CD1 4.38Å; V231-L263 HydrophobicContact CB-CB 4.46Å; V231-L263 PolarHBondContact N-O 3.18Å; V231-L263 WeakPolarHBondContact O-CB 3.46Å; V231-L263 PolarHBondContact O-N 3.29Å; V231-A293 HydrophobicContact CG1-CB 3.26Å; V231-K294 WeakPolarHBondContact CA-O 3.49Å |
| 232 | T | 84.9 | Confident | 77.8 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 168.7 | 168.6 | 63 | 0 | 0 | 0 | 0 | 110.2 | L262 A293 K294 L296 | T232-L262 HydrophobicContact CG2-CD2 3.74Å; T232-A293 CarbonylContact O-C 3.51Å; T232-A293 WeakPolarHBondContact O-CA 3.42Å; T232-K294 PolarHBondContact N-O 2.95Å; T232-K294 PolarHBondContact O-N 3.39Å; T232-L296 HydrophobicContact CG2-CD1 4.17Å |
| 233 | G | 86.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 111.2 | -142.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I259 | G233-I259 VanDerWaalsContact O-CB 3.32Å; G233-I259 WeakPolarHBondContact O-CB 3.43Å; G233-I259 WeakPolarHBondContact O-CG1 3.45Å; G233-I259 PolarHBondContact O-N 3.13Å |
| 234 | S | 88.3 | Confident | 80.4 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.3 | -173.1 | 67 | 0 | 0 | 0 | 0 | 113.6 | V257 L291 N292 | S234-V257 CarbonylContact C-O 3.57Å; S234-V257 WeakPolarHBondContact CA-O 3.42Å; S234-L291 WeakPolarHBondContact O-CB 3.39Å; S234-L291 PolarHBondContact O-N 2.97Å; S234-N292 PolarHBondContact O-N 2.94Å |
| 235 | C | 90.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 162.8 | 177.5 | -61 | 0 | 0 | 0 | 0 | 111.3 | V257 V288 K289 | C235-V257 PolarHBondContact N-O 2.91Å; C235-V257 PolarHBondContact O-N 3.31Å; C235-V288 HydrophobicContact CB-CB 4.02Å; C235-V288 HydrophobicContact CB-CG2 4.3Å; C235-K289 CarbonylContact C-O 3.57Å; C235-K289 VanDerWaalsContact CA-O 3.3Å; C235-K289 WeakPolarHBondContact CA-O 3.44Å; C235-K289 WeakPolarHBondContact CB-O 3.43Å |
| 236 | E | 90.6 | Very high | 81.7 | Confident | 47 Ų | 47 | 50 Ų | 50 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.8 | 175.6 | -171.7 | -169.4 | 154.2 | 0 | 0 | 109.7 | D255 V288 K289 L291 | E236-D255 WeakPolarHBondContact CA-O 3.28Å; E236-V288 CarbonylContact O-C 3.1Å; E236-V288 VanDerWaalsContact O-CA 3.32Å; E236-V288 WeakPolarHBondContact O-CA 3.26Å; E236-K289 HydrophobicContact CB-CG 4.2Å; E236-K289 PolarHBondContact N-O 3.05Å; E236-K289 PolarHBondContact O-N 3.08Å; E236-K289 IonicContact OE1-NZ 3.99Å; E236-K289 PolarHBondContact OE1-NZ 3.07Å; E236-K289 WeakPolarHBondContact OE2-CE 3.5Å; E236-K289 IonicContact OE2-NZ 3.61Å; E236-K289 PolarHBondContact OE2-NZ 3.44Å; E236-L291 HydrophobicContact CB-CB 4.46Å |
| 237 | A | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 130.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L251 S252 G254 D255 | A237-L251 HydrophobicContact CB-CB 4.15Å; A237-L251 HydrophobicContact CB-CD1 4.41Å; A237-S252 WeakPolarHBondContact CB-O 3.38Å; A237-G254 PolarHBondContact O-N 2.98Å; A237-D255 HydrophobicContact CB-CB 4.25Å; A237-D255 PolarHBondContact N-O 3.29Å |
| 238 | I | 89.4 | Confident | 83.7 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | trans | -95.6 | -22.2 | -179.4 | -48.6 | 173.7 | 0 | 0 | 0 | 111.1 | L225 Q253 H287 K289 | L225-I238 HydrophobicContact CD1-CD1 3.92Å; I238-Q253 WeakPolarHBondContact O-CG 3.32Å; I238-Q253 PolarHBondContact O-NE2 2.95Å; I238-H287 PolarHBondContact N-O 3.32Å; I238-K289 HydrophobicContact CD1-CB 3.62Å; I238-K289 HydrophobicContact CD1-CD 4.37Å; I238-K289 HydrophobicContact CD1-CG 3.98Å; I238-K289 HydrophobicContact CG1-CB 3.96Å; I238-K289 HydrophobicContact CG1-CD 4.11Å; I238-K289 HydrophobicContact CG1-CG 3.75Å | ||
| 239 | V | 87.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -134.3 | 150.9 | -174.4 | -67 | 0 | 0 | 0 | 0 | 111.1 | H287 | V239-H287 HydrophobicContact CG2-CB 3.51Š|
| 240 | D | 87.1 | Confident | 85.2 | Confident | 119 Ų | 119 | 44.6 Ų | 44.6 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | trans | -72.6 | 126.8 | 166.8 | -62.2 | -33.2 | 0 | 0 | 0 | 109.3 | L251 S252 Q253 | D240-L251 CarbonylContact C-O 3.45Å; D240-L251 WeakPolarHBondContact CA-O 3.36Å; D240-S252 VanDerWaalsContact OD1-CA 3.25Å; D240-S252 WeakPolarHBondContact OD1-CA 3.17Å; D240-Q253 PolarHBondContact OD1-N 3.41Å | ||
| 241 | Y | 87.2 | Confident | 85.5 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 125.4 | -177.8 | -178.7 | -107.3 | 0 | 0 | 0 | 112 | E248 L251 H284 H287 | Y241-E248 PolarHBondContact OH-OE2 3.24Å; Y241-L251 PolarHBondContact N-O 3.5Å; Y241-L251 PolarHBondContact O-N 3.12Å; Y241-L251 VanDerWaalsContact O-N 3.09Å; Y241-H284 AromaticContact CZ-CD2 3.93Å; Y241-H287 AromaticContact CD2-CE1 3.36Å; Y241-H287 WeakPolarHBondContact CD2-CE1 3.33Å; Y241-H287 AromaticContact CD2-ND1 3.53Å; Y241-H287 AromaticContact CE2-CE1 3.62Å; Y241-H287 AromaticContact CG-ND1 3.69Å |
| 242 | S | 84.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | trans | -94.6 | 128.5 | 170 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 243 | P | 81.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | trans | -66.4 | 136.2 | -174.4 | 27.3 | -34.4 | 0 | 0 | 0 | 112.2 | E248 Q250 | P243-E248 HydrophobicContact CB-CB 3.54Å; P243-E248 WeakPolarHBondContact CB-O 3.31Å; P243-Q250 HydrophobicContact CG-CB 4.28Å | ||
| 244 | A | 74.1 | Confident | 86 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -80.9 | -16.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E248 | A244-E248 WeakPolarHBondContact CB-OE2 3.37Å; A244-E248 PolarHBondContact N-OE2 3.36Å |
| 245 | G | 76.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 24% | 0.237 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -146.5 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D247 E248 | G245-D247 PolarHBondContact O-N 3.45Å; G245-D247 VanDerWaalsContact O-N 3.17Å; G245-E248 PolarHBondContact O-N 3.06Å |
| 246 | P | 76.3 | Confident | 86.1 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.5 | -174 | 27 | -35.2 | 0 | 0 | 0 | 114 | ||
| 247 | D | 85.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 1.9 | -177.6 | -57 | -40 | 0 | 0 | 0 | 112.9 | G245 G281 F282 R493 G526 F527 | G245-D247 PolarHBondContact O-N 3.45Å; G245-D247 VanDerWaalsContact O-N 3.17Å; D247-G281 WeakPolarHBondContact O-CA 3.19Å; D247-F282 HydrophobicContact CB-CD2 3.95Å; D247-F282 HydrophobicContact CB-CE2 3.99Å; D247-F282 VanDerWaalsContact O-CD2 3.31Å; D247-F282 WeakPolarHBondContact O-CD2 3.49Å; D247-F282 PolarHBondContact O-N 3Å; D247-R493 IonicContact OD1-NH1 3.77Å; D247-R493 IonicContact OD2-NH2 3.66Å; D247-G526 VanDerWaalsContact OD1-CA 3.25Å; D247-G526 WeakPolarHBondContact OD1-CA 3.43Å; D247-G526 PolarHBondContact OD1-N 2.78Å; D247-F527 HydrophobicContact CB-CE2 4.27Å; D247-F527 WeakPolarHBondContact O-CE2 3.45Å |
| 248 | E | 88.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 146.1 | 175.7 | -79.2 | 171.9 | -151.1 | 0 | 0 | 112.2 | Y241 P243 A244 G245 F282 K559 | Y241-E248 PolarHBondContact OH-OE2 3.24Å; P243-E248 HydrophobicContact CB-CB 3.54Å; P243-E248 WeakPolarHBondContact CB-O 3.31Å; A244-E248 WeakPolarHBondContact CB-OE2 3.37Å; A244-E248 PolarHBondContact N-OE2 3.36Å; G245-E248 PolarHBondContact O-N 3.06Å; E248-F282 HydrophobicContact CG-CB 4.03Å; E248-K559 WeakPolarHBondContact OE1-CE 3.46Å; E248-K559 IonicContact OE1-NZ 3.41Å; E248-K559 PolarHBondContact OE1-NZ 3.5Å |
| 249 | L | 87.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 128.4 | -178.8 | -160.5 | 67.3 | 0 | 0 | 0 | 110.7 | L251 V257 H274 R279 F282 V283 | L249-L251 HydrophobicContact CD2-CD2 3.94Å; L249-L251 HydrophobicContact CG-CD2 4.25Å; L249-V257 HydrophobicContact CD2-CG1 4.38Å; L249-H274 HydrophobicContact CD1-CB 4.16Å; L249-H274 HydrophobicContact CD2-CB 4.01Å; L249-H274 HydrophobicContact CG-CB 4.44Å; L249-R279 HydrophobicContact CD1-CB 4.17Å; L249-F282 PolarHBondContact N-O 2.67Å; L249-V283 HydrophobicContact CB-CG2 3.88Å; L249-V283 HydrophobicContact CD2-CG2 3.76Å |
| 250 | Q | 88.8 | Confident | 86.1 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 133.6 | 168.7 | -173.6 | 175.5 | 1.3 | 0 | 0 | 109.7 | P243 | P243-Q250 HydrophobicContact CG-CB 4.28Š|
| 251 | L | 88.4 | Confident | 86 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 142.3 | -177.8 | -59.7 | 173.8 | 0 | 0 | 0 | 110.9 | A237 D240 Y241 L249 V257 V283 V288 | A237-L251 HydrophobicContact CB-CB 4.15Å; A237-L251 HydrophobicContact CB-CD1 4.41Å; D240-L251 CarbonylContact C-O 3.45Å; D240-L251 WeakPolarHBondContact CA-O 3.36Å; Y241-L251 PolarHBondContact N-O 3.5Å; Y241-L251 PolarHBondContact O-N 3.12Å; Y241-L251 VanDerWaalsContact O-N 3.09Å; L249-L251 HydrophobicContact CD2-CD2 3.94Å; L249-L251 HydrophobicContact CG-CD2 4.25Å; L251-V257 HydrophobicContact CD2-CG2 3.54Å; L251-V283 HydrophobicContact CD1-CG1 3.99Å; L251-V288 HydrophobicContact CD1-CG1 4.4Å |
| 252 | S | 89.9 | Confident | 86 | Confident | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | trans | -115 | 148.4 | 167.6 | -31 | 0 | 0 | 0 | 0 | 109.1 | A237 D240 G254 D255 | A237-S252 WeakPolarHBondContact CB-O 3.38Å; D240-S252 VanDerWaalsContact OD1-CA 3.25Å; D240-S252 WeakPolarHBondContact OD1-CA 3.17Å; S252-G254 PolarHBondContact O-N 3.34Å; S252-D255 WeakPolarHBondContact CA-OD2 3.39Å; S252-D255 VanDerWaalsContact CB-OD2 3.23Å; S252-D255 WeakPolarHBondContact CB-OD2 3.39Å; S252-D255 PolarHBondContact N-OD2 2.94Å; S252-D255 WeakPolarHBondContact O-CB 3.36Å; S252-D255 VanDerWaalsContact O-CG 3.25Å; S252-D255 PolarHBondContact O-N 3.19Å; S252-D255 PolarHBondContact OG-OD2 3.37Å; S252-D255 VanDerWaalsContact OG-OD2 3.1Å | ||
| 253 | Q | 89.1 | Confident | 86.1 | Confident | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 126.7 | 180 | -175.2 | 176.8 | 16.2 | 0 | 0 | 111.1 | I238 D240 | I238-Q253 WeakPolarHBondContact O-CG 3.32Å; I238-Q253 PolarHBondContact O-NE2 2.95Å; D240-Q253 PolarHBondContact OD1-N 3.41Å |
| 254 | G | 84.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A237 S252 | A237-G254 PolarHBondContact O-N 2.98Å; S252-G254 PolarHBondContact O-N 3.34Å |
| 255 | D | 89.8 | Confident | 86.3 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | trans | -62.9 | 140.4 | 175.1 | -77.4 | -20.3 | 0 | 0 | 0 | 111.5 | E236 A237 S252 H274 | E236-D255 WeakPolarHBondContact CA-O 3.28Å; A237-D255 HydrophobicContact CB-CB 4.25Å; A237-D255 PolarHBondContact N-O 3.29Å; S252-D255 WeakPolarHBondContact CA-OD2 3.39Å; S252-D255 VanDerWaalsContact CB-OD2 3.23Å; S252-D255 WeakPolarHBondContact CB-OD2 3.39Å; S252-D255 PolarHBondContact N-OD2 2.94Å; S252-D255 WeakPolarHBondContact O-CB 3.36Å; S252-D255 VanDerWaalsContact O-CG 3.25Å; S252-D255 PolarHBondContact O-N 3.19Å; S252-D255 PolarHBondContact OG-OD2 3.37Å; S252-D255 VanDerWaalsContact OG-OD2 3.1Å; D255-H274 WeakPolarHBondContact CB-NE2 3.29Å; D255-H274 IonicContact OD1-NE2 3.56Å; D255-H274 IonicContact OD2-NE2 2.69Å; D255-H274 PolarHBondContact OD2-NE2 3.4Å | ||
| 256 | R | 90.6 | Very high | 86.2 | Confident | 164 Ų | 164 | 46.7 Ų | 46.7 | 62% | 0.619 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.4 | 178.2 | -65.8 | -175.6 | 179.1 | -175.8 | -0.4 | 110.2 | M275 L291 | R256-M275 HydrophobicContact CB-CB 4.25Å; R256-M275 HydrophobicContact CB-CG 4.15Å; R256-M275 WeakPolarHBondContact O-CB 3.33Å; R256-M275 WeakPolarHBondContact O-CG 3.42Å; R256-M275 PolarHBondContact O-N 3.05Å; R256-L291 HydrophobicContact CG-CD2 4.43Å |
| 257 | V | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.8 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | S234 C235 L249 L251 R273 V283 | S234-V257 CarbonylContact C-O 3.57Å; S234-V257 WeakPolarHBondContact CA-O 3.42Å; C235-V257 PolarHBondContact N-O 2.91Å; C235-V257 PolarHBondContact O-N 3.31Å; L249-V257 HydrophobicContact CD2-CG1 4.38Å; L251-V257 HydrophobicContact CD2-CG2 3.54Å; V257-R273 WeakPolarHBondContact CA-O 3.15Å; V257-V283 HydrophobicContact CG1-CG2 4.18Å |
| 258 | E | 91.1 | Very high | 86.5 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.9 | 170 | 177.2 | 176.3 | -130.7 | 0 | 0 | 109.7 | Q260 G272 R273 M275 | E258-Q260 PolarHBondContact O-N 3.08Å; E258-G272 CarbonylContact O-C 3.53Å; E258-G272 VanDerWaalsContact O-CA 3.29Å; E258-G272 WeakPolarHBondContact O-CA 3.43Å; E258-R273 HydrophobicContact CB-CB 4.41Å; E258-R273 PolarHBondContact N-O 3.46Å; E258-R273 PolarHBondContact O-N 3.16Å; E258-M275 HydrophobicContact CB-CG 4.32Å; E258-M275 HydrophobicContact CB-SD 3.58Å; E258-M275 VanDerWaalsContact CB-SD 3.58Å; E258-M275 HydrophobicContact CG-SD 4.44Å |
| 259 | I | 90.2 | Very high | 86.5 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.3 | 175.1 | -58.6 | 168.2 | 0 | 0 | 0 | 107.8 | V231 G233 L263 F270 | V231-I259 HydrophobicContact CG1-CD1 4.38Å; G233-I259 VanDerWaalsContact O-CB 3.32Å; G233-I259 WeakPolarHBondContact O-CB 3.43Å; G233-I259 WeakPolarHBondContact O-CG1 3.45Å; G233-I259 PolarHBondContact O-N 3.13Å; I259-L263 HydrophobicContact CD1-CB 4.02Å; I259-L263 HydrophobicContact CD1-CD1 3.95Å; I259-L263 HydrophobicContact CG1-CD1 4.4Å; I259-L263 HydrophobicContact CG2-CB 4.03Å; I259-F270 HydrophobicContact CB-CE2 4.46Å; I259-F270 HydrophobicContact CG1-CD2 4.3Å; I259-F270 HydrophobicContact CG1-CE2 3.88Å; I259-F270 HydrophobicContact CG2-CD2 4.14Å |
| 260 | Q | 86.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | trans | -89.8 | 114.8 | 172.3 | -67.2 | -165.1 | -48.1 | 0 | 0 | 109.7 | E258 I271 R273 S280 | E258-Q260 PolarHBondContact O-N 3.08Å; Q260-I271 HydrophobicContact CB-CB 4.29Å; Q260-I271 HydrophobicContact CB-CG2 3.9Å; Q260-I271 PolarHBondContact N-O 2.77Å; Q260-R273 HydrophobicContact CG-CB 3.9Å; Q260-S280 PolarHBondContact NE2-OG 2.96Å; Q260-S280 VanDerWaalsContact NE2-OG 3.1Å; Q260-S280 VanDerWaalsContact OE1-CB 3.27Å; Q260-S280 PolarHBondContact OE1-OG 3.34Å | ||
| 261 | G | 85.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 80.6 | -123.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C566 | G261-C566 CarbonylContact C-O 3.4Å; G261-C566 VanDerWaalsContact CA-O 3.3Å; G261-C566 WeakPolarHBondContact CA-O 3.27Å |
| 262 | L | 86.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -118.5 | 143.9 | -174 | -53.1 | 173.7 | 0 | 0 | 0 | 112.3 | I230 T232 L296 T304 C566 | I230-L262 HydrophobicContact CG2-CB 4.14Å; I230-L262 HydrophobicContact CG2-CD1 4.43Å; I230-L262 HydrophobicContact CG2-CD2 4.14Å; I230-L262 HydrophobicContact CG2-CG 4.48Å; T232-L262 HydrophobicContact CG2-CD2 3.74Å; L262-L296 HydrophobicContact CD2-CD1 3.76Å; L262-L296 HydrophobicContact CD2-CD2 4.49Å; L262-T304 HydrophobicContact CD2-CG2 4.38Å; L262-C566 PolarHBondContact N-O 2.9Å; L262-C566 WeakPolarHBondContact O-CB 3.32Å; L262-C566 PolarHBondContact O-SG 3.45Å | ||
| 263 | L | 86.2 | Confident | 87 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.4 | 166.6 | -174.6 | 160.3 | 0 | 0 | 0 | 109.3 | F226 I230 V231 I259 F270 | F226-L263 HydrophobicContact CE1-CD1 4.27Å; F226-L263 HydrophobicContact CZ-CD1 4.17Å; I230-L263 WeakPolarHBondContact CA-O 3.26Å; V231-L263 HydrophobicContact CB-CB 4.46Å; V231-L263 PolarHBondContact N-O 3.18Å; V231-L263 WeakPolarHBondContact O-CB 3.46Å; V231-L263 PolarHBondContact O-N 3.29Å; I259-L263 HydrophobicContact CD1-CB 4.02Å; I259-L263 HydrophobicContact CD1-CD1 3.95Å; I259-L263 HydrophobicContact CG1-CD1 4.4Å; I259-L263 HydrophobicContact CG2-CB 4.03Å; L263-F270 HydrophobicContact CD1-CD1 3.73Å; L263-F270 HydrophobicContact CD1-CD2 4.11Å; L263-F270 HydrophobicContact CD1-CE1 3.86Å; L263-F270 HydrophobicContact CD1-CE2 4.24Å; L263-F270 HydrophobicContact CD1-CG 3.87Å; L263-F270 HydrophobicContact CD1-CZ 4.11Å; L263-F270 HydrophobicContact CG-CB 4.27Å; L263-F270 HydrophobicContact CG-CD1 4.22Å; L263-F270 HydrophobicContact CG-CG 4.11Å |
| 264 | M | 82.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.5 | -177.3 | -59 | -68.3 | -66.9 | 0 | 0 | 111.4 | I230 G266 L267 L596 R599 | I230-M264 HydrophobicContact CB-SD 4.16Å; I230-M264 HydrophobicContact CD1-CE 3.6Å; I230-M264 HydrophobicContact CD1-SD 3.53Å; I230-M264 VanDerWaalsContact CD1-SD 3.53Å; I230-M264 HydrophobicContact CG1-CE 3.79Å; I230-M264 HydrophobicContact CG1-SD 3.49Å; I230-M264 WeakPolarHBondContact CG1-SD 3.4Å; I230-M264 HydrophobicContact CG2-SD 3.82Å; M264-G266 VanDerWaalsContact C-N 3.25Å; M264-G266 PolarHBondContact O-N 2.97Å; M264-L267 HydrophobicContact CB-CD1 4.14Å; M264-L267 HydrophobicContact CB-CG 4.18Å; M264-L267 HydrophobicContact CG-CD1 4.37Å; M264-L267 PolarHBondContact O-N 3.03Å; M264-L596 HydrophobicContact CE-CB 4.4Å; M264-L596 HydrophobicContact CE-CD1 3.96Å; M264-R599 HydrophobicContact CE-CB 4.38Å; M264-R599 HydrophobicContact CE-CG 4.47Å |
| 265 | R | 78.6 | Confident | 87.2 | Confident | 106 Ų | 106 | 36.7 Ų | 36.7 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.6 | 176.9 | 177.1 | -179.9 | -179.6 | 175.6 | 3.1 | 113.2 | E224 A229 L267 | E224-R265 IonicContact OE1-CZ 3.76Å; E224-R265 IonicContact OE1-NE 2.88Å; E224-R265 IonicContact OE1-NH2 3.13Å; E224-R265 PolarHBondContact OE1-NH2 2.91Å; E224-R265 IonicContact OE2-NH2 3.76Å; E224-R265 PolarHBondContact OE2-NH2 2.88Å; A229-R265 HydrophobicContact CB-CB 4.5Å; A229-R265 PolarHBondContact O-N 3.28Å; R265-L267 PolarHBondContact O-N 3.49Å |
| 266 | G | 74.6 | Confident | 87 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M264 R587 | M264-G266 VanDerWaalsContact C-N 3.25Å; M264-G266 PolarHBondContact O-N 2.97Å; G266-R587 PolarHBondContact O-NE 3.32Å; G266-R587 PolarHBondContact O-NH2 3.24Å |
| 267 | L | 82.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | trans | -111.6 | 147.3 | -177 | -59.9 | 179.1 | 0 | 0 | 0 | 112 | M264 R265 R285 L565 | M264-L267 HydrophobicContact CB-CD1 4.14Å; M264-L267 HydrophobicContact CB-CG 4.18Å; M264-L267 HydrophobicContact CG-CD1 4.37Å; M264-L267 PolarHBondContact O-N 3.03Å; R265-L267 PolarHBondContact O-N 3.49Å; L267-R285 PolarHBondContact O-NE 2.93Å; L267-L565 HydrophobicContact CD1-CB 4.28Å; L267-L565 HydrophobicContact CD1-CD1 3.98Å; L267-L565 HydrophobicContact CD2-CD1 4.19Å; L267-L565 HydrophobicContact CG-CD1 4.43Å | ||
| 268 | S | 84.4 | Confident | 86.4 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -88.8 | -22.3 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 113 | R285 E558 | S268-R285 WeakPolarHBondContact O-CB 3.42Å; S268-R285 PolarHBondContact O-N 3.03Å; S268-E558 WeakPolarHBondContact CB-OE2 3.44Å; S268-E558 PolarHBondContact N-OE2 3.34Å; S268-E558 VanDerWaalsContact OG-CG 3.29Å; S268-E558 WeakPolarHBondContact OG-CG 3.24Å; S268-E558 PolarHBondContact OG-OE2 3.48Å |
| 269 | V | 88.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | F282 V283 E558 A562 | V269-F282 HydrophobicContact CG1-CB 3.74Å; V269-F282 HydrophobicContact CG1-CD1 3.63Å; V269-F282 HydrophobicContact CG1-CG 4.05Å; V269-V283 WeakPolarHBondContact CA-O 3.34Å; V269-E558 HydrophobicContact CG2-CB 4.32Å; V269-A562 WeakPolarHBondContact O-CB 3.45Å |
| 270 | F | 89.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 173.8 | 170.6 | 71.3 | -80.9 | 0 | 0 | 0 | 110.4 | I259 L263 V283 V288 | I259-F270 HydrophobicContact CB-CE2 4.46Å; I259-F270 HydrophobicContact CG1-CD2 4.3Å; I259-F270 HydrophobicContact CG1-CE2 3.88Å; I259-F270 HydrophobicContact CG2-CD2 4.14Å; L263-F270 HydrophobicContact CD1-CD1 3.73Å; L263-F270 HydrophobicContact CD1-CD2 4.11Å; L263-F270 HydrophobicContact CD1-CE1 3.86Å; L263-F270 HydrophobicContact CD1-CE2 4.24Å; L263-F270 HydrophobicContact CD1-CG 3.87Å; L263-F270 HydrophobicContact CD1-CZ 4.11Å; L263-F270 HydrophobicContact CG-CB 4.27Å; L263-F270 HydrophobicContact CG-CD1 4.22Å; L263-F270 HydrophobicContact CG-CG 4.11Å; F270-V283 HydrophobicContact CD1-CB 4.33Å; F270-V283 HydrophobicContact CD1-CG1 4.48Å; F270-V283 WeakPolarHBondContact CD1-O 3.39Å; F270-V283 HydrophobicContact CE1-CB 3.82Å; F270-V283 HydrophobicContact CE1-CG1 3.57Å; F270-V283 HydrophobicContact CE2-CB 4.22Å; F270-V283 HydrophobicContact CE2-CG1 4.44Å; F270-V283 HydrophobicContact CZ-CB 3.75Å; F270-V283 HydrophobicContact CZ-CG1 3.54Å; F270-V283 PolarHBondContact N-O 3.48Å; F270-V283 PolarHBondContact O-N 3.33Å; F270-V288 HydrophobicContact CE1-CG2 3.74Å; F270-V288 HydrophobicContact CZ-CG2 4Å |
| 271 | I | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.3 | -179.7 | -53 | 168.6 | 0 | 0 | 0 | 108.9 | Q260 F527 L563 L567 | Q260-I271 HydrophobicContact CB-CB 4.29Å; Q260-I271 HydrophobicContact CB-CG2 3.9Å; Q260-I271 PolarHBondContact N-O 2.77Å; I271-F527 HydrophobicContact CG1-CE1 4.41Å; I271-F527 HydrophobicContact CG2-CD1 4.37Å; I271-F527 HydrophobicContact CG2-CE1 3.55Å; I271-F527 HydrophobicContact CG2-CZ 4.11Å; I271-L563 HydrophobicContact CD1-CD2 3.92Å; I271-L567 HydrophobicContact CD1-CD1 4.07Å; I271-L567 HydrophobicContact CD1-CD2 3.5Å; I271-L567 HydrophobicContact CD1-CG 3.6Å |
| 272 | G | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E258 S280 G281 | E258-G272 CarbonylContact O-C 3.53Å; E258-G272 VanDerWaalsContact O-CA 3.29Å; E258-G272 WeakPolarHBondContact O-CA 3.43Å; G272-S280 CarbonylContact O-C 3.29Å; G272-S280 VanDerWaalsContact O-CA 3.32Å; G272-S280 WeakPolarHBondContact O-CA 3.41Å; G272-G281 PolarHBondContact N-O 3.38Å; G272-G281 PolarHBondContact O-N 3.32Å |
| 273 | R | 91.8 | Very high | 86.9 | Confident | 107 Ų | 107 | 38.6 Ų | 38.6 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | 168.6 | -169 | 180 | -167.9 | 174.9 | 0 | 110 | V257 E258 Q260 M275 G278 R279 | V257-R273 WeakPolarHBondContact CA-O 3.15Å; E258-R273 HydrophobicContact CB-CB 4.41Å; E258-R273 PolarHBondContact N-O 3.46Å; E258-R273 PolarHBondContact O-N 3.16Å; Q260-R273 HydrophobicContact CG-CB 3.9Å; R273-M275 PolarHBondContact O-N 3.17Å; R273-G278 PolarHBondContact NE-O 3.14Å; R273-R279 WeakPolarHBondContact CA-O 3.43Å |
| 274 | H | 91.1 | Very high | 87 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.4 | 174.5 | -166 | -108.5 | 0 | 0 | 0 | 110.5 | L249 D255 S276 T277 G278 R279 | L249-H274 HydrophobicContact CD1-CB 4.16Å; L249-H274 HydrophobicContact CD2-CB 4.01Å; L249-H274 HydrophobicContact CG-CB 4.44Å; D255-H274 WeakPolarHBondContact CB-NE2 3.29Å; D255-H274 IonicContact OD1-NE2 3.56Å; D255-H274 IonicContact OD2-NE2 2.69Å; D255-H274 PolarHBondContact OD2-NE2 3.4Å; H274-S276 VanDerWaalsContact C-N 3.34Å; H274-S276 PolarHBondContact CE1-OG 3.45Å; H274-S276 PolarHBondContact ND1-OG 3.08Å; H274-S276 VanDerWaalsContact ND1-OG 3.13Å; H274-S276 PolarHBondContact O-N 3.01Å; H274-T277 VanDerWaalsContact CB-OG1 3.29Å; H274-T277 WeakPolarHBondContact CB-OG1 3.32Å; H274-T277 WeakPolarHBondContact ND1-CG2 3.35Å; H274-T277 PolarHBondContact ND1-N 3.04Å; H274-T277 PolarHBondContact ND1-OG1 3.4Å; H274-G278 VanDerWaalsContact O-CA 3.31Å; H274-G278 WeakPolarHBondContact O-CA 3.45Å; H274-G278 PolarHBondContact O-N 3.13Å; H274-R279 PolarHBondContact N-O 3.34Å |
| 275 | M | 87.8 | Confident | 87.2 | Confident | 111 Ų | 111 | 42.5 Ų | 42.5 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.3 | -169.7 | -71.8 | -61.8 | -71.6 | 0 | 0 | 114.3 | R256 E258 R273 | R256-M275 HydrophobicContact CB-CB 4.25Å; R256-M275 HydrophobicContact CB-CG 4.15Å; R256-M275 WeakPolarHBondContact O-CB 3.33Å; R256-M275 WeakPolarHBondContact O-CG 3.42Å; R256-M275 PolarHBondContact O-N 3.05Å; E258-M275 HydrophobicContact CB-CG 4.32Å; E258-M275 HydrophobicContact CB-SD 3.58Å; E258-M275 VanDerWaalsContact CB-SD 3.58Å; E258-M275 HydrophobicContact CG-SD 4.44Å; R273-M275 PolarHBondContact O-N 3.17Å |
| 276 | S | 83.9 | Confident | 87.5 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 69% | 0.685 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -26.7 | -177.9 | 61.7 | 0 | 0 | 0 | 0 | 114 | H274 | H274-S276 VanDerWaalsContact C-N 3.34Å; H274-S276 PolarHBondContact CE1-OG 3.45Å; H274-S276 PolarHBondContact ND1-OG 3.08Å; H274-S276 VanDerWaalsContact ND1-OG 3.13Å; H274-S276 PolarHBondContact O-N 3.01Å |
| 277 | T | 84.7 | Confident | 88.1 | Confident | 85 Ų | 85 | 41.5 Ų | 41.5 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -13 | -180 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | H274 R279 | H274-T277 VanDerWaalsContact CB-OG1 3.29Å; H274-T277 WeakPolarHBondContact CB-OG1 3.32Å; H274-T277 WeakPolarHBondContact ND1-CG2 3.35Å; H274-T277 PolarHBondContact ND1-N 3.04Å; H274-T277 PolarHBondContact ND1-OG1 3.4Å; T277-R279 PolarHBondContact O-N 3.4Å; T277-R279 VanDerWaalsContact O-N 3.12Å |
| 278 | G | 83.9 | Confident | 88.3 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | trans | 68.6 | 2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R273 H274 | R273-G278 PolarHBondContact NE-O 3.14Å; H274-G278 VanDerWaalsContact O-CA 3.31Å; H274-G278 WeakPolarHBondContact O-CA 3.45Å; H274-G278 PolarHBondContact O-N 3.13Å | ||
| 279 | R | 86.9 | Confident | 88.4 | Confident | 174 Ų | 174 | 43.6 Ų | 43.6 | 66% | 0.657 | 23% | 0.226 | S | C | * | . | trans | -77.5 | 137.6 | -178.4 | -68.3 | -173 | 177.3 | -177.8 | -0.8 | 111.4 | L249 R273 H274 T277 | L249-R279 HydrophobicContact CD1-CB 4.17Å; R273-R279 WeakPolarHBondContact CA-O 3.43Å; H274-R279 PolarHBondContact N-O 3.34Å; T277-R279 PolarHBondContact O-N 3.4Å; T277-R279 VanDerWaalsContact O-N 3.12Å | ||
| 280 | S | 90.9 | Very high | 88.3 | Confident | 25 Ų | 25 | 46 Ų | 46 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.4 | 172.9 | -66.4 | 0 | 0 | 0 | 0 | 110.9 | Q260 G272 F527 | Q260-S280 PolarHBondContact NE2-OG 2.96Å; Q260-S280 VanDerWaalsContact NE2-OG 3.1Å; Q260-S280 VanDerWaalsContact OE1-CB 3.27Å; Q260-S280 PolarHBondContact OE1-OG 3.34Å; G272-S280 CarbonylContact O-C 3.29Å; G272-S280 VanDerWaalsContact O-CA 3.32Å; G272-S280 WeakPolarHBondContact O-CA 3.41Å; S280-F527 WeakPolarHBondContact O-CD2 3.18Å |
| 281 | G | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 169 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D247 G272 F527 | D247-G281 WeakPolarHBondContact O-CA 3.19Å; G272-G281 PolarHBondContact N-O 3.38Å; G272-G281 PolarHBondContact O-N 3.32Å; G281-F527 VanDerWaalsContact CA-CE2 3.43Å |
| 282 | F | 91.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.5 | 168.2 | -68 | -67.1 | 0 | 0 | 0 | 111 | D247 E248 L249 V269 F527 F537 K559 A562 L563 | D247-F282 HydrophobicContact CB-CD2 3.95Å; D247-F282 HydrophobicContact CB-CE2 3.99Å; D247-F282 VanDerWaalsContact O-CD2 3.31Å; D247-F282 WeakPolarHBondContact O-CD2 3.49Å; D247-F282 PolarHBondContact O-N 3Å; E248-F282 HydrophobicContact CG-CB 4.03Å; L249-F282 PolarHBondContact N-O 2.67Å; V269-F282 HydrophobicContact CG1-CB 3.74Å; V269-F282 HydrophobicContact CG1-CD1 3.63Å; V269-F282 HydrophobicContact CG1-CG 4.05Å; F282-F527 HydrophobicContact CD1-CZ 4.32Å; F282-F527 HydrophobicContact CD2-CE2 4.05Å; F282-F527 HydrophobicContact CD2-CZ 4.18Å; F282-F527 HydrophobicContact CE1-CZ 4.25Å; F282-F527 HydrophobicContact CE2-CE2 4.1Å; F282-F527 HydrophobicContact CE2-CZ 4.08Å; F282-F527 HydrophobicContact CG-CE2 4.49Å; F282-F527 HydrophobicContact CG-CZ 4.3Å; F282-F527 HydrophobicContact CZ-CZ 4.13Å; F282-F537 AromaticContact CE2-CE2 3.9Å; F282-F537 HydrophobicContact CE2-CE2 3.9Å; F282-F537 HydrophobicContact CE2-CZ 4.11Å; F282-F537 HydrophobicContact CZ-CD2 4.49Å; F282-F537 HydrophobicContact CZ-CE2 4.14Å; F282-K559 HydrophobicContact CD1-CB 4.48Å; F282-K559 HydrophobicContact CD1-CG 4.27Å; F282-K559 HydrophobicContact CD2-CD 4.1Å; F282-K559 HydrophobicContact CD2-CG 4.21Å; F282-K559 HydrophobicContact CE1-CB 3.97Å; F282-K559 HydrophobicContact CE1-CG 4.24Å; F282-K559 HydrophobicContact CE2-CB 4.2Å; F282-K559 HydrophobicContact CE2-CD 4.13Å; F282-K559 HydrophobicContact CE2-CG 4.2Å; F282-K559 HydrophobicContact CG-CG 4.24Å; F282-K559 HydrophobicContact CZ-CB 3.81Å; F282-K559 HydrophobicContact CZ-CG 4.21Å; F282-A562 HydrophobicContact CE1-CB 4.39Å; F282-L563 HydrophobicContact CE1-CD1 4.49Å; F282-L563 HydrophobicContact CE1-CD2 4.19Å; F282-L563 HydrophobicContact CE1-CG 3.97Å; F282-L563 HydrophobicContact CZ-CD1 3.89Å; F282-L563 HydrophobicContact CZ-CD2 4.08Å; F282-L563 HydrophobicContact CZ-CG 3.85Å |
| 283 | V | 90.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.4 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | L249 L251 V257 V269 F270 V288 | L249-V283 HydrophobicContact CB-CG2 3.88Å; L249-V283 HydrophobicContact CD2-CG2 3.76Å; L251-V283 HydrophobicContact CD1-CG1 3.99Å; V257-V283 HydrophobicContact CG1-CG2 4.18Å; V269-V283 WeakPolarHBondContact CA-O 3.34Å; F270-V283 HydrophobicContact CD1-CB 4.33Å; F270-V283 HydrophobicContact CD1-CG1 4.48Å; F270-V283 WeakPolarHBondContact CD1-O 3.39Å; F270-V283 HydrophobicContact CE1-CB 3.82Å; F270-V283 HydrophobicContact CE1-CG1 3.57Å; F270-V283 HydrophobicContact CE2-CB 4.22Å; F270-V283 HydrophobicContact CE2-CG1 4.44Å; F270-V283 HydrophobicContact CZ-CB 3.75Å; F270-V283 HydrophobicContact CZ-CG1 3.54Å; F270-V283 PolarHBondContact N-O 3.48Å; F270-V283 PolarHBondContact O-N 3.33Å; V283-V288 HydrophobicContact CG1-CG1 3.82Å |
| 284 | H | 88.8 | Confident | 86.1 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 22% | 0.218 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.5 | 175.7 | -72.2 | -82.2 | 0 | 0 | 0 | 111.1 | Y241 A286 H287 | Y241-H284 AromaticContact CZ-CD2 3.93Å; H284-A286 PolarHBondContact O-N 2.92Å; H284-H287 PolarHBondContact O-N 3.33Å; H284-H287 VanDerWaalsContact O-N 3.08Å |
| 285 | R | 86.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -60.1 | -34.5 | -179.8 | -173.1 | 174.9 | 64 | 121.3 | 5.4 | 112.5 | F226 L267 S268 H287 V288 | F226-R285 HydrophobicContact CD2-CG 4.1Å; F226-R285 HydrophobicContact CE2-CG 3.91Å; L267-R285 PolarHBondContact O-NE 2.93Å; S268-R285 WeakPolarHBondContact O-CB 3.42Å; S268-R285 PolarHBondContact O-N 3.03Å; R285-H287 PolarHBondContact O-N 2.96Å; R285-V288 PolarHBondContact O-N 3.25Å |
| 286 | A | 84.1 | Confident | 84.5 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -61.1 | -22.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E222 H284 | E222-A286 WeakPolarHBondContact OE2-CB 3.3Å; H284-A286 PolarHBondContact O-N 2.92Å |
| 287 | H | 88.2 | Confident | 83.4 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 21% | 0.208 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -95.6 | -1.4 | -173.6 | -59.9 | 167.9 | 0 | 0 | 0 | 113.4 | I238 V239 Y241 H284 R285 | I238-H287 PolarHBondContact N-O 3.32Å; V239-H287 HydrophobicContact CG2-CB 3.51Å; Y241-H287 AromaticContact CD2-CE1 3.36Å; Y241-H287 WeakPolarHBondContact CD2-CE1 3.33Å; Y241-H287 AromaticContact CD2-ND1 3.53Å; Y241-H287 AromaticContact CE2-CE1 3.62Å; Y241-H287 AromaticContact CG-ND1 3.69Å; H284-H287 PolarHBondContact O-N 3.33Å; H284-H287 VanDerWaalsContact O-N 3.08Å; R285-H287 PolarHBondContact O-N 2.96Å |
| 288 | V | 86.9 | Confident | 82 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.1 | -173.1 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | F226 C235 E236 L251 F270 V283 R285 | F226-V288 HydrophobicContact CE2-CG2 4.45Å; F226-V288 HydrophobicContact CZ-CG2 4.29Å; C235-V288 HydrophobicContact CB-CB 4.02Å; C235-V288 HydrophobicContact CB-CG2 4.3Å; E236-V288 CarbonylContact O-C 3.1Å; E236-V288 VanDerWaalsContact O-CA 3.32Å; E236-V288 WeakPolarHBondContact O-CA 3.26Å; L251-V288 HydrophobicContact CD1-CG1 4.4Å; F270-V288 HydrophobicContact CE1-CG2 3.74Å; F270-V288 HydrophobicContact CZ-CG2 4Å; V283-V288 HydrophobicContact CG1-CG1 3.82Å; R285-V288 PolarHBondContact O-N 3.25Å |
| 289 | K | 87.1 | Confident | 80.5 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.3 | 170.2 | 57 | 179.8 | -179.7 | 171.3 | 0 | 110.7 | C235 E236 I238 | C235-K289 CarbonylContact C-O 3.57Å; C235-K289 VanDerWaalsContact CA-O 3.3Å; C235-K289 WeakPolarHBondContact CA-O 3.44Å; C235-K289 WeakPolarHBondContact CB-O 3.43Å; E236-K289 HydrophobicContact CB-CG 4.2Å; E236-K289 PolarHBondContact N-O 3.05Å; E236-K289 PolarHBondContact O-N 3.08Å; E236-K289 IonicContact OE1-NZ 3.99Å; E236-K289 PolarHBondContact OE1-NZ 3.07Å; E236-K289 WeakPolarHBondContact OE2-CE 3.5Å; E236-K289 IonicContact OE2-NZ 3.61Å; E236-K289 PolarHBondContact OE2-NZ 3.44Å; I238-K289 HydrophobicContact CD1-CB 3.62Å; I238-K289 HydrophobicContact CD1-CD 4.37Å; I238-K289 HydrophobicContact CD1-CG 3.98Å; I238-K289 HydrophobicContact CG1-CB 3.96Å; I238-K289 HydrophobicContact CG1-CD 4.11Å; I238-K289 HydrophobicContact CG1-CG 3.75Å |
| 290 | P | 85.7 | Confident | 79 | Confident | 55 Ų | 55 | 59 Ų | 59 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 135.5 | 174 | 24.8 | -33.4 | 0 | 0 | 0 | 111.4 | F226 A293 | F226-P290 HydrophobicContact CD1-CB 4.01Å; F226-P290 HydrophobicContact CD1-CG 4.19Å; F226-P290 HydrophobicContact CE1-CB 3.71Å; F226-P290 HydrophobicContact CE1-CG 4.14Å; F226-P290 HydrophobicContact CZ-CB 4.47Å; P290-A293 HydrophobicContact CB-CB 3.62Å |
| 291 | L | 83.8 | Confident | 77.8 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -112.4 | -59.6 | 173 | -175.4 | 75.9 | 0 | 0 | 0 | 111.1 | S234 E236 R256 | S234-L291 WeakPolarHBondContact O-CB 3.39Å; S234-L291 PolarHBondContact O-N 2.97Å; E236-L291 HydrophobicContact CB-CB 4.46Å; R256-L291 HydrophobicContact CG-CD2 4.43Å |
| 292 | N | 80.6 | Confident | 77.1 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -127.5 | 43.9 | 174.5 | -65.1 | -42.4 | 0 | 0 | 0 | 109.7 | S234 K294 | S234-N292 PolarHBondContact O-N 2.94Å; N292-K294 PolarHBondContact O-N 3.28Å |
| 293 | A | 77.9 | Confident | 76.5 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | trans | -73.4 | 118.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V231 T232 P290 | V231-A293 HydrophobicContact CG1-CB 3.26Å; T232-A293 CarbonylContact O-C 3.51Å; T232-A293 WeakPolarHBondContact O-CA 3.42Å; P290-A293 HydrophobicContact CB-CB 3.62Å | ||
| 294 | K | 76.9 | Confident | 75.9 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.4 | 175.9 | -64 | -178.8 | -177.6 | 178.9 | 0 | 108.7 | V231 T232 N292 | V231-K294 WeakPolarHBondContact CA-O 3.49Å; T232-K294 PolarHBondContact N-O 2.95Å; T232-K294 PolarHBondContact O-N 3.39Å; N292-K294 PolarHBondContact O-N 3.28Å |
| 295 | P | 73.4 | Confident | 75.3 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 150.1 | 167.5 | 27.9 | -33.3 | 0 | 0 | 0 | 109.5 | ||
| 296 | L | 70.5 | Confident | 74.8 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 140.1 | 170.2 | -164.3 | 69.2 | 0 | 0 | 0 | 109.1 | I230 T232 L262 L300 | I230-L296 HydrophobicContact CB-CB 4.47Å; I230-L296 HydrophobicContact CG2-CB 4.23Å; I230-L296 HydrophobicContact CG2-CD2 4.31Å; I230-L296 PolarHBondContact O-N 3.28Å; T232-L296 HydrophobicContact CG2-CD1 4.17Å; L262-L296 HydrophobicContact CD2-CD1 3.76Å; L262-L296 HydrophobicContact CD2-CD2 4.49Å; L296-L300 HydrophobicContact CD2-CB 4.49Å; L296-L300 HydrophobicContact CG-CB 4.4Å |
| 297 | D | 61.3 | Low | 74.7 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 144.4 | -171.1 | -155 | -10.7 | 0 | 0 | 0 | 112.5 | Q299 L300 V301 | D297-Q299 PolarHBondContact O-N 2.97Å; D297-L300 HydrophobicContact CB-CD1 4.19Å; D297-L300 PolarHBondContact O-N 3.28Å; D297-V301 PolarHBondContact O-N 2.99Å |
| 298 | R | 55.7 | Low | 74.2 | Confident | 196 Ų | 196 | 65.5 Ų | 65.5 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.1 | -168.1 | -71.3 | -174.7 | 177.2 | -177.5 | -1.6 | 113.6 | V301 I639 | R298-V301 WeakPolarHBondContact O-CG2 3.44Å; R298-I639 WeakPolarHBondContact O-CD1 3.41Å; R298-I639 WeakPolarHBondContact O-CG1 3.37Å |
| 299 | Q | 52.8 | Low | 73.6 | Confident | 113 Ų | 113 | 67.7 Ų | 67.7 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -15.2 | 177.7 | -66.2 | -176 | -13 | 0 | 0 | 113.9 | D297 | D297-Q299 PolarHBondContact O-N 2.97Š|
| 300 | L | 55.7 | Low | 73 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -26.7 | -167.5 | -81.3 | 177.3 | 0 | 0 | 0 | 113.7 | L296 D297 F302 L303 E305 K308 | L296-L300 HydrophobicContact CD2-CB 4.49Å; L296-L300 HydrophobicContact CG-CB 4.4Å; D297-L300 HydrophobicContact CB-CD1 4.19Å; D297-L300 PolarHBondContact O-N 3.28Å; L300-F302 PolarHBondContact O-N 3.27Å; L300-L303 WeakPolarHBondContact CB-O 3.36Å; L300-L303 PolarHBondContact O-N 2.97Å; L300-E305 HydrophobicContact CD1-CG 3.65Å; L300-E305 WeakPolarHBondContact CD1-OE1 3.42Å; L300-E305 HydrophobicContact CD2-CG 4.23Å; L300-E305 VanDerWaalsContact CD2-OE1 3.26Å; L300-E305 WeakPolarHBondContact CD2-OE1 3.41Å; L300-E305 HydrophobicContact CG-CG 4.43Å; L300-E305 VanDerWaalsContact CG-OE1 3.27Å; L300-E305 WeakPolarHBondContact CG-OE1 3.4Å; L300-K308 HydrophobicContact CD2-CB 4.47Å; L300-K308 HydrophobicContact CD2-CD 3.86Å |
| 301 | V | 65 | Low | 72.5 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -52.3 | 167.1 | -173.6 | 0 | 0 | 0 | 0 | 117 | I230 D297 R298 L595 L631 I639 | I230-V301 WeakPolarHBondContact CD1-O 3.36Å; D297-V301 PolarHBondContact O-N 2.99Å; R298-V301 WeakPolarHBondContact O-CG2 3.44Å; V301-L595 HydrophobicContact CG1-CD2 3.17Å; V301-L631 HydrophobicContact CG1-CD1 4.21Å; V301-I639 HydrophobicContact CG2-CD1 4.44Å; V301-I639 HydrophobicContact CG2-CG2 4.25Å |
| 302 | F | 76.7 | Confident | 71.7 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -2.5 | 175.5 | 62.5 | -90.6 | 0 | 0 | 0 | 115.2 | I230 L300 A598 R599 L624 L642 | I230-F302 HydrophobicContact CD1-CB 4.21Å; L300-F302 PolarHBondContact O-N 3.27Å; F302-A598 HydrophobicContact CB-CB 4.33Å; F302-A598 HydrophobicContact CD1-CB 3.6Å; F302-A598 HydrophobicContact CD2-CB 3.83Å; F302-A598 HydrophobicContact CE1-CB 3.81Å; F302-A598 HydrophobicContact CE2-CB 4.03Å; F302-A598 HydrophobicContact CG-CB 3.63Å; F302-A598 HydrophobicContact CZ-CB 4.02Å; F302-R599 WeakPolarHBondContact O-CD 3.39Å; F302-R599 PolarHBondContact O-NH1 3.44Å; F302-L624 HydrophobicContact CE2-CD1 3.58Å; F302-L624 HydrophobicContact CZ-CD1 3.67Å; F302-L624 HydrophobicContact CZ-CG 4.41Å; F302-L642 HydrophobicContact CZ-CD2 4.35Å |
| 303 | L | 78.4 | Confident | 71 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -114.9 | 152 | 175.4 | -64.8 | 175.5 | 0 | 0 | 0 | 110.9 | L300 E307 L311 Y602 L642 | L300-L303 WeakPolarHBondContact CB-O 3.36Å; L300-L303 PolarHBondContact O-N 2.97Å; L303-E307 HydrophobicContact CB-CB 4.42Å; L303-E307 HydrophobicContact CD2-CB 4.28Å; L303-L311 HydrophobicContact CD1-CD1 3.74Å; L303-Y602 HydrophobicContact CD2-CD1 3.4Å; L303-Y602 HydrophobicContact CD2-CD2 3.84Å; L303-Y602 HydrophobicContact CD2-CE1 3.64Å; L303-Y602 HydrophobicContact CD2-CE2 4.07Å; L303-Y602 HydrophobicContact CD2-CG 3.49Å; L303-Y602 VanDerWaalsContact CD2-CG 3.49Å; L303-L642 HydrophobicContact CD1-CD1 4.41Å; L303-L642 HydrophobicContact CD1-CD2 3.74Å |
| 304 | T | 78.7 | Confident | 70.4 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | trans | -83.2 | 161 | 165.5 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | L262 E306 E307 K308 P568 | L262-T304 HydrophobicContact CD2-CG2 4.38Å; T304-E306 PolarHBondContact O-N 3.37Å; T304-E307 PolarHBondContact N-OE2 3.25Å; T304-E307 PolarHBondContact O-N 3.46Å; T304-E307 VanDerWaalsContact OG1-CG 3.24Å; T304-E307 WeakPolarHBondContact OG1-CG 3.48Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 3.48Å; T304-K308 PolarHBondContact O-N 3.4Å; T304-P568 HydrophobicContact CG2-CB 4.11Å | ||
| 305 | E | 74.3 | Confident | 69.7 | Low | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 176.7 | -74 | -59.5 | 158.7 | 0 | 0 | 112 | L300 K308 A309 | L300-E305 HydrophobicContact CD1-CG 3.65Å; L300-E305 WeakPolarHBondContact CD1-OE1 3.42Å; L300-E305 HydrophobicContact CD2-CG 4.23Å; L300-E305 VanDerWaalsContact CD2-OE1 3.26Å; L300-E305 WeakPolarHBondContact CD2-OE1 3.41Å; L300-E305 HydrophobicContact CG-CG 4.43Å; L300-E305 VanDerWaalsContact CG-OE1 3.27Å; L300-E305 WeakPolarHBondContact CG-OE1 3.4Å; E305-K308 PolarHBondContact O-N 3.04Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.14Å |
| 306 | E | 77.9 | Confident | 69 | Low | 123 Ų | 123 | 59.3 Ų | 59.3 | 58% | 0.575 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 177.3 | -62 | 176.1 | -178.4 | 0 | 0 | 111.7 | T304 A309 S310 C569 | T304-E306 PolarHBondContact O-N 3.37Å; E306-A309 PolarHBondContact O-N 3.42Å; E306-S310 WeakPolarHBondContact O-CB 3.19Å; E306-S310 PolarHBondContact O-N 3.33Å; E306-C569 VanDerWaalsContact CB-SG 3.55Å |
| 307 | E | 81.1 | Confident | 68.3 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 176.4 | -72.2 | 165.2 | 152.2 | 0 | 0 | 111.9 | L303 T304 S310 L311 C569 R599 Y602 | L303-E307 HydrophobicContact CB-CB 4.42Å; L303-E307 HydrophobicContact CD2-CB 4.28Å; T304-E307 PolarHBondContact N-OE2 3.25Å; T304-E307 PolarHBondContact O-N 3.46Å; T304-E307 VanDerWaalsContact OG1-CG 3.24Å; T304-E307 WeakPolarHBondContact OG1-CG 3.48Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 3.48Å; E307-S310 WeakPolarHBondContact CA-OG 3.46Å; E307-S310 PolarHBondContact O-N 3.12Å; E307-S310 PolarHBondContact O-OG 2.99Å; E307-L311 PolarHBondContact O-N 3.4Å; E307-C569 PolarHBondContact OE1-N 3.48Å; E307-R599 IonicContact OE1-CZ 3.46Å; E307-R599 IonicContact OE1-NH1 4Å; E307-R599 PolarHBondContact OE1-NH1 3.02Å; E307-R599 IonicContact OE1-NH2 3.61Å; E307-R599 PolarHBondContact OE1-NH2 3.06Å; E307-R599 IonicContact OE2-CZ 2.78Å; E307-R599 IonicContact OE2-NH1 3.5Å; E307-R599 PolarHBondContact OE2-NH1 3.04Å; E307-R599 IonicContact OE2-NH2 2.7Å; E307-Y602 HydrophobicContact CB-CE1 4.34Å; E307-Y602 HydrophobicContact CG-CE1 4.21Å |
| 308 | K | 77 | Confident | 67.7 | Low | 69 Ų | 69 | 59.4 Ų | 59.4 | 30% | 0.3 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175 | -173.8 | 179.4 | 175.7 | -174.3 | 0 | 111.3 | L300 T304 E305 L311 A312 L642 | L300-K308 HydrophobicContact CD2-CB 4.47Å; L300-K308 HydrophobicContact CD2-CD 3.86Å; T304-K308 PolarHBondContact O-N 3.4Å; E305-K308 PolarHBondContact O-N 3.04Å; K308-L311 PolarHBondContact O-N 3.44Å; K308-A312 PolarHBondContact O-N 3.11Å; K308-A312 VanDerWaalsContact O-N 3.08Å; K308-L642 HydrophobicContact CG-CD1 4.23Å |
| 309 | A | 74.9 | Confident | 67.3 | Low | 45 Ų | 45 | 54.4 Ų | 54.4 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E305 E306 L311 A312 Q313 | E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.14Å; E306-A309 PolarHBondContact O-N 3.42Å; A309-L311 VanDerWaalsContact C-N 3.35Å; A309-L311 PolarHBondContact O-N 2.67Å; A309-A312 WeakPolarHBondContact O-CB 3.39Å; A309-A312 PolarHBondContact O-N 3.46Å; A309-A312 VanDerWaalsContact O-N 3.17Å; A309-Q313 VanDerWaalsContact O-CG 3.3Å; A309-Q313 WeakPolarHBondContact O-CG 3.45Å; A309-Q313 PolarHBondContact O-N 3.27Å |
| 310 | S | 75.6 | Confident | 67 | Low | 44 Ų | 44 | 57.1 Ų | 57.1 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.5 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | E306 E307 A312 Q313 V314 | E306-S310 WeakPolarHBondContact O-CB 3.19Å; E306-S310 PolarHBondContact O-N 3.33Å; E307-S310 WeakPolarHBondContact CA-OG 3.46Å; E307-S310 PolarHBondContact O-N 3.12Å; E307-S310 PolarHBondContact O-OG 2.99Å; S310-A312 VanDerWaalsContact C-N 3.34Å; S310-A312 PolarHBondContact O-N 2.89Å; S310-Q313 PolarHBondContact O-N 3.05Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 3.35Å; S310-V314 VanDerWaalsContact O-N 3.13Å |
| 311 | L | 74.8 | Confident | 66.6 | Low | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 175 | -80.5 | 174.9 | 0 | 0 | 0 | 112.8 | L303 E307 K308 A309 Q313 Y602 L642 | L303-L311 HydrophobicContact CD1-CD1 3.74Å; E307-L311 PolarHBondContact O-N 3.4Å; K308-L311 PolarHBondContact O-N 3.44Å; A309-L311 VanDerWaalsContact C-N 3.35Å; A309-L311 PolarHBondContact O-N 2.67Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; L311-Y602 HydrophobicContact CD1-CD2 3.78Å; L311-Y602 HydrophobicContact CD1-CE2 3.51Å; L311-Y602 HydrophobicContact CD2-CD2 4.23Å; L311-Y602 HydrophobicContact CD2-CE2 3.74Å; L311-Y602 HydrophobicContact CG-CD2 4.28Å; L311-Y602 HydrophobicContact CG-CE2 3.6Å; L311-L642 HydrophobicContact CD1-CD2 4.3Å |
| 312 | A | 67.5 | Low | 65.9 | Low | 64 Ų | 64 | 61.3 Ų | 61.3 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K308 A309 S310 | K308-A312 PolarHBondContact O-N 3.11Å; K308-A312 VanDerWaalsContact O-N 3.08Å; A309-A312 WeakPolarHBondContact O-CB 3.39Å; A309-A312 PolarHBondContact O-N 3.46Å; A309-A312 VanDerWaalsContact O-N 3.17Å; S310-A312 VanDerWaalsContact C-N 3.34Å; S310-A312 PolarHBondContact O-N 2.89Å |
| 313 | Q | 65.1 | Low | 64.7 | Low | 155 Ų | 155 | 64.4 Ų | 64.4 | 72% | 0.724 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -80.3 | -11 | 179.7 | -71 | 175.4 | 10.7 | 0 | 0 | 114.6 | A309 S310 L311 N315 | A309-Q313 VanDerWaalsContact O-CG 3.3Å; A309-Q313 WeakPolarHBondContact O-CG 3.45Å; A309-Q313 PolarHBondContact O-N 3.27Å; S310-Q313 PolarHBondContact O-N 3.05Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; Q313-N315 VanDerWaalsContact C-N 3.28Å; Q313-N315 PolarHBondContact O-N 2.79Å |
| 314 | V | 65.2 | Low | 63.4 | Low | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | trans | -64.6 | 93.3 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | S310 P316 L647 | S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 3.35Å; S310-V314 VanDerWaalsContact O-N 3.13Å; V314-P316 VanDerWaalsContact O-CD 3.25Å; V314-P316 WeakPolarHBondContact O-CD 3.38Å; V314-L647 HydrophobicContact CB-CD2 4.28Å; V314-L647 HydrophobicContact CG1-CD2 4.12Å | ||
| 315 | N | 62 | Low | 62.3 | Low | 45 Ų | 45 | 68 Ų | 68 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | trans | -97.1 | 102.9 | 173.8 | -156.4 | -30.3 | 0 | 0 | 0 | 108.4 | Q313 Y317 Q680 | Q313-N315 VanDerWaalsContact C-N 3.28Å; Q313-N315 PolarHBondContact O-N 2.79Å; N315-Y317 PolarHBondContact O-N 2.66Å; N315-Y317 VanDerWaalsContact O-N 3.07Å; N315-Q680 PolarHBondContact ND2-NE2 3.18Å; N315-Q680 PolarHBondContact ND2-OE1 3.24Å; N315-Q680 PolarHBondContact OD1-NE2 3.45Å; N315-Q680 PolarHBondContact OD1-OE1 3.33Å; N315-Q680 VanDerWaalsContact OD1-OE1 3.04Å | ||
| 316 | P | 58.6 | Low | 61.9 | Low | 28 Ų | 28 | 64 Ų | 64 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -70.2 | -4.6 | -173.6 | 27.9 | -34 | 0 | 0 | 0 | 113.9 | V314 W650 | V314-P316 VanDerWaalsContact O-CD 3.25Å; V314-P316 WeakPolarHBondContact O-CD 3.38Å; P316-W650 HydrophobicContact CB-CD2 3.54Å; P316-W650 HydrophobicContact CB-CE3 4.08Å; P316-W650 HydrophobicContact CB-CG 3.86Å; P316-W650 HydrophobicContact CB-CH2 4.21Å; P316-W650 HydrophobicContact CB-CZ2 3.68Å; P316-W650 HydrophobicContact CB-CZ3 4.39Å; P316-W650 HydrophobicContact CG-CB 4.13Å; P316-W650 HydrophobicContact CG-CD2 3.77Å; P316-W650 HydrophobicContact CG-CE3 4.42Å; P316-W650 HydrophobicContact CG-CG 3.56Å |
| 317 | Y | 55.8 | Low | 61.3 | Low | 28 Ų | 28 | 58.8 Ų | 58.8 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | trans | -111.7 | 75.6 | 175 | -66.5 | -85.4 | 0 | 0 | 0 | 110.3 | N315 W650 | N315-Y317 PolarHBondContact O-N 2.66Å; N315-Y317 VanDerWaalsContact O-N 3.07Å; Y317-W650 AromaticContact CE2-CD1 3.41Å; Y317-W650 VanDerWaalsContact CE2-CD1 3.41Å; Y317-W650 AromaticContact CE2-NE1 3.88Å; Y317-W650 AromaticContact CZ-CD1 3.72Å; Y317-W650 AromaticContact CZ-NE1 3.95Å | ||
| 318 | S | 49.1 | Very low | 60.4 | Low | 105 Ų | 105 | 64.6 Ų | 64.6 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | trans | -90.6 | -1.1 | 172 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 319 | S | 47 | Very low | 59.7 | Low | 92 Ų | 92 | 68.1 Ų | 68.1 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -142.1 | 114.1 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 320 | E | 46.2 | Very low | 59.2 | Low | 170 Ų | 170 | 67.8 Ų | 67.8 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 86.3 | 143.7 | 170 | -54.8 | -174.6 | 174.3 | 0 | 0 | 119.4 | ||
| 321 | P | 47.5 | Very low | 58.6 | Low | 57 Ų | 57 | 66.9 Ų | 66.9 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | cis | -101.2 | 179.3 | -37.1 | 36.3 | -23.5 | 0 | 0 | 0 | 111.2 | C325 R329 | P321-C325 HydrophobicContact CB-CB 4.11Å; P321-C325 HydrophobicContact CG-CB 4.2Å; P321-R329 VanDerWaalsContact CG-NH2 3.25Å | ||
| 322 | S | 50.6 | Low | 57.7 | Low | 72 Ų | 72 | 71.1 Ų | 71.1 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | trans | -58.8 | 145.7 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | S324 C325 | S322-S324 PolarHBondContact O-N 3.11Å; S322-S324 PolarHBondContact OG-OG 2.98Å; S322-C325 WeakPolarHBondContact O-CB 3Å; S322-C325 PolarHBondContact O-N 2.91Å | ||
| 323 | E | 51.5 | Low | 57.1 | Low | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.341 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -47.9 | -35.5 | 175.9 | -68.5 | 161.7 | -161.1 | 0 | 0 | 112.4 | C325 L326 L327 R676 F679 | E323-C325 VanDerWaalsContact C-N 3.31Å; E323-C325 PolarHBondContact O-N 3.3Å; E323-L326 PolarHBondContact O-N 2.97Å; E323-L327 PolarHBondContact O-N 2.66Å; E323-R676 WeakPolarHBondContact OE1-CA 3.49Å; E323-R676 WeakPolarHBondContact OE1-CB 3.31Å; E323-R676 VanDerWaalsContact OE1-CG 3.29Å; E323-R676 WeakPolarHBondContact OE1-CG 3.38Å; E323-F679 HydrophobicContact CB-CD2 4.41Å; E323-F679 HydrophobicContact CG-CD2 4.25Å |
| 324 | S | 51.3 | Low | 57 | Low | 58 Ų | 58 | 67.1 Ų | 67.1 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | 174.6 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | S322 L326 L327 E328 | S322-S324 PolarHBondContact O-N 3.11Å; S322-S324 PolarHBondContact OG-OG 2.98Å; S324-L326 PolarHBondContact O-N 3.43Å; S324-L327 PolarHBondContact O-N 2.7Å; S324-E328 WeakPolarHBondContact O-CB 3.29Å; S324-E328 VanDerWaalsContact O-CG 3.27Å; S324-E328 WeakPolarHBondContact O-CG 3.27Å; S324-E328 PolarHBondContact O-N 2.61Å |
| 325 | C | 55.9 | Low | 57.1 | Low | 41 Ų | 41 | 66.3 Ų | 66.3 | 28% | 0.277 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.4 | -26.7 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | P321 S322 E323 R329 | P321-C325 HydrophobicContact CB-CB 4.11Å; P321-C325 HydrophobicContact CG-CB 4.2Å; S322-C325 WeakPolarHBondContact O-CB 3Å; S322-C325 PolarHBondContact O-N 2.91Å; E323-C325 VanDerWaalsContact C-N 3.31Å; E323-C325 PolarHBondContact O-N 3.3Å; C325-R329 VanDerWaalsContact O-CB 3.31Å; C325-R329 WeakPolarHBondContact O-CB 3.4Å; C325-R329 WeakPolarHBondContact O-CG 3.47Å; C325-R329 PolarHBondContact O-N 3.44Å; C325-R329 PolarHBondContact O-NE 3.22Å; C325-R329 PolarHBondContact SG-NE 2.9Å |
| 326 | L | 65.8 | Low | 57.1 | Low | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.5 | -44.8 | 174.4 | -77.7 | 169.1 | 0 | 0 | 0 | 111 | E323 S324 R329 L330 E683 | E323-L326 PolarHBondContact O-N 2.97Å; S324-L326 PolarHBondContact O-N 3.43Å; L326-R329 VanDerWaalsContact CD2-NH2 3.32Å; L326-R329 PolarHBondContact O-N 2.97Å; L326-L330 WeakPolarHBondContact O-CB 3.33Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.65Å; L326-E683 HydrophobicContact CD1-CB 4.02Å; L326-E683 HydrophobicContact CD1-CG 4.45Å; L326-E683 HydrophobicContact CD2-CB 4.25Å; L326-E683 HydrophobicContact CD2-CG 4.11Å |
| 327 | L | 64.1 | Low | 57.5 | Low | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 177 | -74 | 170.1 | 0 | 0 | 0 | 112.2 | E323 S324 R329 L330 F331 F679 M726 | E323-L327 PolarHBondContact O-N 2.66Å; S324-L327 PolarHBondContact O-N 2.7Å; L327-R329 VanDerWaalsContact C-N 3.32Å; L327-R329 PolarHBondContact O-N 3.36Å; L327-L330 PolarHBondContact O-N 3.44Å; L327-F331 HydrophobicContact CD2-CD2 3.54Å; L327-F331 HydrophobicContact CD2-CE2 3.62Å; L327-F331 WeakPolarHBondContact O-CA 3.37Å; L327-F331 PolarHBondContact O-N 2.98Å; L327-F679 HydrophobicContact CD1-CE1 4.2Å; L327-F679 HydrophobicContact CD1-CE2 4.25Å; L327-F679 HydrophobicContact CD1-CZ 3.69Å; L327-F679 HydrophobicContact CD2-CE1 3.46Å; L327-F679 VanDerWaalsContact CD2-CE1 3.46Å; L327-F679 HydrophobicContact CD2-CZ 3.65Å; L327-F679 HydrophobicContact CG-CE1 3.79Å; L327-F679 HydrophobicContact CG-CZ 3.82Å; L327-M726 HydrophobicContact CD1-CE 3.87Å; L327-M726 HydrophobicContact CD1-SD 3.32Å; L327-M726 WeakPolarHBondContact CD1-SD 3.2Å |
| 328 | E | 62.4 | Low | 58.1 | Low | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.3 | -43.8 | 172.4 | -74.8 | 170.2 | -170.3 | 0 | 0 | 110.7 | S324 L330 S332 | S324-E328 WeakPolarHBondContact O-CB 3.29Å; S324-E328 VanDerWaalsContact O-CG 3.27Å; S324-E328 WeakPolarHBondContact O-CG 3.27Å; S324-E328 PolarHBondContact O-N 2.61Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.81Å; E328-S332 WeakPolarHBondContact O-CB 3.33Å; E328-S332 PolarHBondContact O-N 2.77Å; E328-S332 PolarHBondContact O-OG 3.14Å |
| 329 | R | 63.8 | Low | 59.1 | Low | 142 Ų | 142 | 59.4 Ų | 59.4 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.8 | -30.7 | 176.3 | -85.7 | 180 | -72 | 159.2 | -0.5 | 114.3 | P321 C325 L326 L327 | P321-R329 VanDerWaalsContact CG-NH2 3.25Å; C325-R329 VanDerWaalsContact O-CB 3.31Å; C325-R329 WeakPolarHBondContact O-CB 3.4Å; C325-R329 WeakPolarHBondContact O-CG 3.47Å; C325-R329 PolarHBondContact O-N 3.44Å; C325-R329 PolarHBondContact O-NE 3.22Å; C325-R329 PolarHBondContact SG-NE 2.9Å; L326-R329 VanDerWaalsContact CD2-NH2 3.32Å; L326-R329 PolarHBondContact O-N 2.97Å; L327-R329 VanDerWaalsContact C-N 3.32Å; L327-R329 PolarHBondContact O-N 3.36Å |
| 330 | L | 64.1 | Low | 60.3 | Low | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -90.8 | -34.6 | -175.2 | -70 | 169.2 | 0 | 0 | 0 | 112.8 | L326 L327 E328 I682 I686 L703 | L326-L330 WeakPolarHBondContact O-CB 3.33Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.65Å; L327-L330 PolarHBondContact O-N 3.44Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.81Å; L330-I682 HydrophobicContact CD1-CG2 4.19Å; L330-I686 HydrophobicContact CD1-CD1 4.09Å; L330-I686 HydrophobicContact CD2-CD1 3.61Å; L330-I686 HydrophobicContact CG-CD1 4.46Å; L330-L703 HydrophobicContact CD2-CD1 4.45Å; L330-L703 HydrophobicContact CD2-CD2 3.76Å |
| 331 | F | 62.2 | Low | 61.6 | Low | 25 Ų | 25 | 51 Ų | 51 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -136.4 | 10.1 | -164.8 | -48.6 | -53.6 | 0 | 0 | 0 | 114.1 | L327 S333 L703 L711 | L327-F331 HydrophobicContact CD2-CD2 3.54Å; L327-F331 HydrophobicContact CD2-CE2 3.62Å; L327-F331 WeakPolarHBondContact O-CA 3.37Å; L327-F331 PolarHBondContact O-N 2.98Å; F331-S333 VanDerWaalsContact C-N 3.3Å; F331-S333 PolarHBondContact O-N 2.86Å; F331-L703 HydrophobicContact CE1-CD1 4.38Å; F331-L711 HydrophobicContact CE2-CD2 4.34Å; F331-L711 HydrophobicContact CZ-CD1 4.28Å; F331-L711 HydrophobicContact CZ-CD2 3.75Å |
| 332 | S | 55.3 | Low | 62.1 | Low | 95 Ų | 95 | 48.6 Ų | 48.6 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | trans | -66.8 | 91.9 | 169.1 | 71.1 | 0 | 0 | 0 | 0 | 109.7 | E328 | E328-S332 WeakPolarHBondContact O-CB 3.33Å; E328-S332 PolarHBondContact O-N 2.77Å; E328-S332 PolarHBondContact O-OG 3.14Å | ||
| 333 | S | 55.8 | Low | 62.5 | Low | 32 Ų | 32 | 48.2 Ų | 48.2 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | trans | -91.9 | 121.1 | 161.9 | 21.9 | 0 | 0 | 0 | 0 | 108.8 | F331 I335 E768 | F331-S333 VanDerWaalsContact C-N 3.3Å; F331-S333 PolarHBondContact O-N 2.86Å; S333-I335 PolarHBondContact O-N 3.15Å; S333-E768 VanDerWaalsContact CB-OE1 3.3Å; S333-E768 WeakPolarHBondContact CB-OE1 3.36Å; S333-E768 PolarHBondContact OG-OE1 3.43Å | ||
| 334 | D | 62.2 | Low | 62.3 | Low | 104 Ų | 104 | 45.8 Ų | 45.8 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | trans | -64 | 131.2 | 158.5 | 179.6 | -6.1 | 0 | 0 | 0 | 106.8 | S336 S337 | D334-S336 PolarHBondContact O-N 3.4Å; D334-S336 WeakPolarHBondContact OD1-CB 3.45Å; D334-S336 PolarHBondContact OD1-N 2.84Å; D334-S336 PolarHBondContact OD1-OG 3.31Å; D334-S336 PolarHBondContact OD2-OG 2.66Å; D334-S337 PolarHBondContact N-OG 3.15Å; D334-S337 WeakPolarHBondContact O-CA 3.22Å; D334-S337 WeakPolarHBondContact O-CB 3.5Å; D334-S337 PolarHBondContact O-N 2.92Å; D334-S337 PolarHBondContact O-OG 3.5Å | ||
| 335 | I | 67.7 | Low | 61.8 | Low | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.179 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -51.6 | -30.9 | 177.1 | -66 | 167.5 | 0 | 0 | 0 | 110.8 | S333 S337 V338 F767 E768 Q805 V808 | S333-I335 PolarHBondContact O-N 3.15Å; I335-S337 PolarHBondContact O-N 3.04Å; I335-S337 VanDerWaalsContact O-N 3.12Å; I335-V338 PolarHBondContact O-N 3.49Å; I335-F767 HydrophobicContact CD1-CD1 4.19Å; I335-F767 HydrophobicContact CG2-CE1 4.03Å; I335-E768 HydrophobicContact CG1-CB 4.36Å; I335-E768 HydrophobicContact CG1-CG 4.25Å; I335-Q805 HydrophobicContact CD1-CG 4.33Å; I335-Q805 HydrophobicContact CG2-CG 4.24Å; I335-V808 HydrophobicContact CG2-CG2 4.5Å |
| 336 | S | 61.4 | Low | 60.9 | Low | 11 Ų | 11 | 54 Ų | 54 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -62.9 | -14.1 | 174.8 | 82.4 | 0 | 0 | 0 | 0 | 114.7 | D334 N845 | D334-S336 PolarHBondContact O-N 3.4Å; D334-S336 WeakPolarHBondContact OD1-CB 3.45Å; D334-S336 PolarHBondContact OD1-N 2.84Å; D334-S336 PolarHBondContact OD1-OG 3.31Å; D334-S336 PolarHBondContact OD2-OG 2.66Å; S336-N845 PolarHBondContact O-OD1 3.03Å |
| 337 | S | 68.2 | Low | 59.5 | Low | 37 Ų | 37 | 57.2 Ų | 57.2 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -113.9 | -2.9 | -174.7 | 74.8 | 0 | 0 | 0 | 0 | 114.9 | D334 I335 Y339 | D334-S337 PolarHBondContact N-OG 3.15Å; D334-S337 WeakPolarHBondContact O-CA 3.22Å; D334-S337 WeakPolarHBondContact O-CB 3.5Å; D334-S337 PolarHBondContact O-N 2.92Å; D334-S337 PolarHBondContact O-OG 3.5Å; I335-S337 PolarHBondContact O-N 3.04Å; I335-S337 VanDerWaalsContact O-N 3.12Å; S337-Y339 VanDerWaalsContact C-N 3.26Å; S337-Y339 PolarHBondContact O-N 3.01Å |
| 338 | V | 68.8 | Low | 58 | Low | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -63.6 | -30.4 | -173.2 | 173 | 0 | 0 | 0 | 0 | 112.6 | I335 E768 V771 L772 | I335-V338 PolarHBondContact O-N 3.49Å; V338-E768 HydrophobicContact CG2-CG 4.14Å; V338-V771 HydrophobicContact CB-CG1 4.11Å; V338-V771 HydrophobicContact CG1-CB 4.29Å; V338-V771 HydrophobicContact CG1-CG1 3.67Å; V338-L772 HydrophobicContact CG1-CB 3.91Å; V338-L772 HydrophobicContact CG1-CD1 4.21Å |
| 339 | Y | 69.9 | Low | 56.9 | Low | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -118.6 | 162.1 | 179.2 | 77.6 | -70.7 | 0 | 0 | 0 | 111.5 | S337 V808 N811 L812 N845 L848 | S337-Y339 VanDerWaalsContact C-N 3.26Å; S337-Y339 PolarHBondContact O-N 3.01Å; Y339-V808 HydrophobicContact CD1-CG1 3.67Å; Y339-V808 HydrophobicContact CE1-CB 4.08Å; Y339-V808 HydrophobicContact CE1-CG1 3.7Å; Y339-V808 HydrophobicContact CE1-CG2 3.88Å; Y339-N811 HydrophobicContact CE2-CB 3.77Å; Y339-N811 PolarHBondContact OH-ND2 3.2Å; Y339-L812 HydrophobicContact CD2-CD2 4.13Å; Y339-L812 HydrophobicContact CD2-CG 4.47Å; Y339-L812 HydrophobicContact CG-CD2 3.98Å; Y339-L812 HydrophobicContact CG-CG 4.23Å; Y339-N845 PolarHBondContact OH-OD1 2.92Å; Y339-L848 HydrophobicContact CE2-CD1 4.19Å | ||
| 340 | R | 72.6 | Confident | 55.5 | Low | 74 Ų | 74 | 56.9 Ų | 56.9 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | trans | -129 | 179.7 | 179.4 | -65.5 | -175.8 | 175.3 | -174.7 | -12.3 | 110.2 | Y351 W775 E887 | R340-Y351 PolarHBondContact NH1-OH 2.98Å; R340-W775 HydrophobicContact CB-CZ2 4.14Å; R340-W775 WeakPolarHBondContact O-CH2 3.36Å; R340-E887 IonicContact CZ-OE2 3.09Å; R340-E887 IonicContact NH1-OE2 3.02Å; R340-E887 PolarHBondContact NH1-OE2 3.5Å; R340-E887 IonicContact NH2-OE2 2.63Å | ||
| 341 | L | 72.8 | Confident | 54.2 | Low | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -58.2 | 144.8 | 172.5 | -66.6 | 176.9 | 0 | 0 | 0 | 112.3 | L848 A851 N852 E888 Q891 V892 W895 | L341-L848 HydrophobicContact CD1-CD2 4.31Å; L341-L848 HydrophobicContact CD2-CB 4.34Å; L341-L848 HydrophobicContact CD2-CD2 3.38Å; L341-L848 HydrophobicContact CD2-CG 4.48Å; L341-L848 HydrophobicContact CG-CD2 3.51Å; L341-A851 HydrophobicContact CD1-CB 4.13Å; L341-A851 HydrophobicContact CD2-CB 3.5Å; L341-A851 HydrophobicContact CG-CB 4.49Å; L341-N852 WeakPolarHBondContact CD2-OD1 3.11Å; L341-E888 HydrophobicContact CD1-CB 4.08Å; L341-Q891 HydrophobicContact CB-CG 4.42Å; L341-Q891 HydrophobicContact CD1-CB 4.1Å; L341-Q891 HydrophobicContact CD1-CG 4.24Å; L341-V892 HydrophobicContact CD1-CG2 3.65Å; L341-W895 HydrophobicContact CB-CH2 3.75Å; L341-W895 HydrophobicContact CB-CZ2 4.49Å; L341-W895 HydrophobicContact CB-CZ3 4.22Å; L341-W895 HydrophobicContact CD1-CH2 4.4Å; L341-W895 HydrophobicContact CD1-CZ3 4.06Å; L341-W895 HydrophobicContact CD2-CH2 4.26Å; L341-W895 HydrophobicContact CD2-CZ3 4.02Å; L341-W895 HydrophobicContact CG-CH2 4.35Å; L341-W895 HydrophobicContact CG-CZ3 4.32Å | ||
| 342 | D | 56.8 | Low | 53.3 | Low | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | trans | -76.5 | -179.6 | -176.5 | -163.6 | 4 | 0 | 0 | 0 | 113 | L815 R818 H819 W895 | D342-L815 HydrophobicContact CB-CD1 3.87Å; D342-L815 HydrophobicContact CB-CD2 3.56Å; D342-L815 HydrophobicContact CB-CG 4.2Å; D342-L815 WeakPolarHBondContact OD2-CD2 3.46Å; D342-R818 IonicContact OD1-NH1 2.77Å; D342-R818 IonicContact OD2-CZ 2.82Å; D342-R818 IonicContact OD2-NH1 3.66Å; D342-R818 PolarHBondContact OD2-NH1 2.98Å; D342-H819 IonicContact OD1-CE1 3.22Å; D342-H819 IonicContact OD1-NE2 3.9Å; D342-H819 PolarHBondContact OD1-NE2 2.92Å; D342-H819 IonicContact OD2-CD2 2.65Å; D342-H819 IonicContact OD2-CE1 3.32Å; D342-H819 IonicContact OD2-NE2 2.81Å; D342-H819 PolarHBondContact OD2-NE2 2.94Å; D342-H819 VanDerWaalsContact OD2-NE2 3.13Å; D342-W895 WeakPolarHBondContact O-CZ2 3.16Å | ||
| 343 | R | 61.1 | Low | 52.4 | Low | 65 Ų | 65 | 54.6 Ų | 54.6 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | trans | -94.1 | 159.8 | 177.6 | -60.2 | -174.1 | -167.7 | 157.6 | 16.1 | 112.3 | E346 L779 R818 | R343-E346 IonicContact NH1-OE1 3.59Å; R343-L779 PolarHBondContact NH2-O 2.84Å; R343-R818 PolarHBondContact O-NH1 2.88Å; R343-R818 VanDerWaalsContact O-NH1 3.14Å; R343-R818 PolarHBondContact O-NH2 3.42Å | ||
| 344 | L | 47.3 | Very low | 51.2 | Low | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -126.3 | 54.1 | 174.7 | -123.7 | 164 | 0 | 0 | 0 | 109.3 | C855 L858 D859 W895 | L344-C855 HydrophobicContact CD1-CB 4.41Å; L344-C855 WeakPolarHBondContact CD1-SG 3.32Å; L344-C855 WeakPolarHBondContact CG-SG 3.48Å; L344-L858 HydrophobicContact CD1-CB 4.28Å; L344-L858 HydrophobicContact CD1-CD1 3.62Å; L344-L858 HydrophobicContact CD2-CB 4.3Å; L344-D859 WeakPolarHBondContact CD2-OD1 3.31Å; L344-W895 VanDerWaalsContact CD1-CD1 3.41Å; L344-W895 HydrophobicContact CD1-CD2 4.15Å; L344-W895 HydrophobicContact CD1-CG 3.83Å |
| 345 | D | 40.5 | Very low | 49.7 | Very low | 124 Ų | 124 | 55.7 Ų | 55.7 | 66% | 0.663 | 28% | 0.279 | S | S | * | . | trans | 91.6 | 150.3 | -174.9 | -59.2 | -32.2 | 0 | 0 | 0 | 118 | ||||
| 346 | E | 36.7 | Very low | 47.6 | Very low | 149 Ų | 149 | 58.2 Ų | 58.2 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -13.5 | -178.5 | -67.6 | -156.4 | 137.2 | 0 | 0 | 114.6 | R343 | R343-E346 IonicContact NH1-OE1 3.59Š|
| 347 | A | 35.7 | Very low | 46 | Very low | 83 Ų | 83 | 65 Ų | 65 | 69% | 0.686 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -33.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 348 | D | 33.5 | Very low | 43.9 | Very low | 126 Ų | 126 | 72 Ų | 72 | 67% | 0.674 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -22.8 | -167.5 | -76 | -23 | 0 | 0 | 0 | 115.4 | ||
| 349 | F | 39.5 | Very low | 41.9 | Very low | 29 Ų | 29 | 76 Ų | 76 | 13% | 0.127 | 39% | 0.389 | C | S | . | . | trans | -113.6 | 86.7 | 177.5 | -61.5 | -79.8 | 0 | 0 | 0 | 109.1 | Y351 Q898 L935 | F349-Y351 PolarHBondContact O-N 2.96Å; F349-Q898 HydrophobicContact CZ-CB 4.29Å; F349-Q898 HydrophobicContact CZ-CG 4.45Å; F349-L935 HydrophobicContact CD1-CD1 3.89Å; F349-L935 HydrophobicContact CE1-CD1 3.79Å; F349-L935 HydrophobicContact CE1-CD2 4.39Å | ||
| 350 | M | 32.8 | Very low | 39.7 | Very low | 116 Ų | 116 | 81.6 Ų | 81.6 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | trans | -57 | 95 | 162.9 | -76.2 | -80.7 | 171.9 | 0 | 0 | 107 | V931 | M350-V931 WeakPolarHBondContact O-CG1 3.42Å; M350-V931 WeakPolarHBondContact O-CG2 3.42Å | ||
| 351 | Y | 38.4 | Very low | 37.4 | Very low | 55 Ų | 55 | 83.8 Ų | 83.8 | 22% | 0.216 | 45% | 0.454 | C | S | . | . | trans | -50.2 | 161.7 | 179 | 174.9 | -98.6 | 0 | 0 | 0 | 110.7 | R340 F349 R353 H927 | R340-Y351 PolarHBondContact NH1-OH 2.98Å; F349-Y351 PolarHBondContact O-N 2.96Å; Y351-R353 HydrophobicContact CD1-CB 3.77Å; Y351-R353 HydrophobicContact CD1-CG 3.45Å; Y351-R353 VanDerWaalsContact CD1-CG 3.45Å; Y351-R353 HydrophobicContact CE1-CB 4.37Å; Y351-R353 HydrophobicContact CE1-CG 3.67Å; Y351-R353 PolarHBondContact O-N 3.19Å; Y351-H927 PolarHBondContact O-NE2 2.98Å | ||
| 352 | I | 41.8 | Very low | 35 | Very low | 10 Ų | 10 | 87.3 Ų | 87.3 | 5% | 0.051 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -65.1 | 68.9 | 176.3 | -59.5 | 158.7 | 0 | 0 | 0 | 111.7 | E887 V890 H927 S928 V931 | I352-E887 HydrophobicContact CG2-CG 4.38Å; I352-V890 HydrophobicContact CD1-CG1 4.18Å; I352-H927 WeakPolarHBondContact CA-CD2 3.44Å; I352-H927 WeakPolarHBondContact CA-NE2 3.09Å; I352-H927 HydrophobicContact CG2-CB 3.82Å; I352-S928 WeakPolarHBondContact CD1-OG 3.37Å; I352-S928 WeakPolarHBondContact CG2-OG 3.39Å; I352-V931 HydrophobicContact CG1-CG2 4.33Å |
| 353 | R | 37.3 | Very low | 33.4 | Very low | 46 Ų | 46 | 93.9 Ų | 93.9 | 17% | 0.174 | 52% | 0.52 | C | S | . | . | trans | -139 | 126 | -174.9 | -103.3 | 170.8 | -154.9 | -158.3 | 0.8 | 112.6 | Y351 R355 L779 H927 | Y351-R353 HydrophobicContact CD1-CB 3.77Å; Y351-R353 HydrophobicContact CD1-CG 3.45Å; Y351-R353 VanDerWaalsContact CD1-CG 3.45Å; Y351-R353 HydrophobicContact CE1-CB 4.37Å; Y351-R353 HydrophobicContact CE1-CG 3.67Å; Y351-R353 PolarHBondContact O-N 3.19Å; R353-R355 PolarHBondContact O-N 2.78Å; R353-L779 VanDerWaalsContact NH2-CD1 3.28Å; R353-H927 VanDerWaalsContact C-ND1 3.33Å; R353-H927 PolarHBondContact N-CD2 2.87Å; R353-H927 PolarHBondContact N-CE1 3.44Å; R353-H927 VanDerWaalsContact N-CE1 3.29Å; R353-H927 PolarHBondContact N-NE2 3.32Å; R353-H927 VanDerWaalsContact N-NE2 3.15Å; R353-H927 PolarHBondContact O-CE1 2.94Å; R353-H927 PolarHBondContact O-ND1 2.98Å | ||
| 354 | N | 31.3 | Very low | 31.4 | Very low | 49 Ų | 49 | 100.9 Ų | 100.9 | 26% | 0.262 | 55% | 0.552 | S | S | . | * | trans | -56.5 | 95.4 | 159.4 | -69.2 | -33.6 | 0 | 0 | 0 | 110.1 | ||||
| 355 | R | 29.1 | Very low | 30.2 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 41% | 0.411 | 59% | 0.589 | S | S | . | * | trans | -163.6 | 142.6 | 157.4 | -110.9 | -178 | -165.1 | -141.7 | -10.9 | 113.2 | R353 Y741 G742 A743 R968 | R353-R355 PolarHBondContact O-N 2.78Å; R355-Y741 PolarHBondContact NE-O 3.4Å; R355-Y741 PolarHBondContact NH2-O 3.17Å; R355-G742 VanDerWaalsContact NE-C 3.28Å; R355-G742 PolarHBondContact NE-O 3.08Å; R355-G742 PolarHBondContact NH1-O 3.45Å; R355-G742 PolarHBondContact NH2-O 2.9Å; R355-A743 VanDerWaalsContact NH2-CB 3.31Å; R355-R968 PolarHBondContact O-NH2 3.14Å | ||
| 356 | P | 24.5 | Very low | 29.3 | Very low | 88 Ų | 88 | 106.7 Ų | 106.7 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | trans | -84.7 | 144.2 | 154.2 | 33.2 | -26.8 | 0 | 0 | 0 | 109.5 | ||||
| 357 | K | 26.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 109.9 Ų | 109.9 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | trans | -110.7 | 147 | 166 | -95.3 | -172.4 | 176.6 | -176.7 | 0 | 110.9 | R967 | K357-R967 PolarHBondContact O-NH1 2.92Š| ||
| 358 | H | 24.1 | Very low | 27.9 | Very low | 183 Ų | 183 | 110.2 Ų | 110.2 | 85% | 0.847 | 60% | 0.599 | S | S | * | * | trans | -67.7 | 158.3 | 177.4 | -78.4 | -83.3 | 0 | 0 | 0 | 112.3 | ||||
| 359 | A | 27.7 | Very low | 27.3 | Very low | 99 Ų | 99 | 107.8 Ų | 107.8 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | trans | -59.5 | 131.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | S | 23.4 | Very low | 26.5 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 81% | 0.811 | 61% | 0.612 | S | S | * | * | trans | -145.1 | 109.8 | 147.8 | 57 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 361 | S | 25 | Very low | 26.1 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 84% | 0.839 | 62% | 0.617 | S | S | * | * | trans | -59.2 | 128.1 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 362 | A | 21.8 | Very low | 25.2 | Very low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | 175.2 | 127.2 | 129 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 363 | D | 22.3 | Very low | 24.3 | Very low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | 60.4 | 114.2 | 153.5 | -56.9 | -27.7 | 0 | 0 | 0 | 119.6 | ||||
| 364 | F | 21.1 | Very low | 23.5 | Very low | 212 Ų | 212 | 126.7 Ų | 126.7 | 93% | 0.93 | 70% | 0.701 | S | S | * | * | -170.5 | 137.8 | 104 | -112.9 | -88.7 | 0 | 0 | 0 | 113.5 | |||||
| 365 | K | 21.2 | Very low | 23 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -72.7 | 147.4 | -177.2 | -73.2 | 168.7 | 178.6 | 171.2 | 0 | 112.7 | ||||
| 366 | G | 20.9 | Very low | 22.6 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -78.8 | -175.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 367 | F | 21.9 | Very low | 22.5 | Very low | 217 Ų | 217 | 132.6 Ų | 132.6 | 95% | 0.952 | 74% | 0.739 | S | S | * | * | trans | -159.7 | 152.8 | 148.4 | -109.2 | -76.2 | 0 | 0 | 0 | 112.4 | ||||
| 368 | S | 21.1 | Very low | 22.2 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -98.1 | 143.6 | -165.9 | 53.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 369 | S | 22.3 | Very low | 22.1 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 52% | 0.524 | 74% | 0.739 | S | S | . | * | trans | 32.5 | 132.5 | 139 | 76.8 | 0 | 0 | 0 | 0 | 123.1 | Y946 | S369-Y946 WeakPolarHBondContact CA-OH 3.48Š| ||
| 370 | A | 21.9 | Very low | 21.8 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 55% | 0.554 | 74% | 0.742 | S | S | * | * | trans | -160 | 87.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L944 | A370-L944 HydrophobicContact CB-CD1 4.3Å; A370-L944 WeakPolarHBondContact O-CD1 3.3Å | ||
| 371 | R | 23.6 | Very low | 21.8 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | trans | 5.1 | 141.8 | 150 | -61 | 173 | 170.1 | 177.8 | -2.3 | 121.3 | N984 | R371-N984 PolarHBondContact NH2-ND2 2.75Š| ||
| 372 | Q | 21.4 | Very low | 21.6 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | 156.4 | 102.1 | 114.4 | -89.8 | 178.4 | -8.1 | 0 | 0 | 110.3 | |||||
| 373 | S | 21.1 | Very low | 21.6 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | 72.4 | 121.8 | 92.5 | 72.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 374 | L | 20.7 | Very low | 21.6 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | 162.2 | 124.1 | 118.3 | -90.4 | 139.1 | 0 | 0 | 0 | 110.9 | |||||
| 375 | M | 20.9 | Very low | 21.7 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | 61.4 | 140.9 | 133.4 | -56 | -85.4 | -98.2 | 0 | 0 | 117.8 | ||||
| 376 | S | 21.9 | Very low | 21.8 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | cis | -179 | 156.8 | 10.2 | 41.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 377 | D | 20.9 | Very low | 21.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | 69.7 | 116 | 142.6 | -73.1 | -23.5 | 0 | 0 | 0 | 120.8 | ||||
| 378 | R | 21.9 | Very low | 21.9 | Very low | 219 Ų | 219 | 126.2 Ų | 126.2 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | 78.2 | 136.9 | 97.5 | -71.8 | 177.7 | -170.7 | -149 | -4 | 111.4 | |||||
| 379 | S | 21.9 | Very low | 22.6 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | cis | -177.7 | 147.5 | 17.7 | 36.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 380 | D | 21.2 | Very low | 22.6 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 36.7 | 142.4 | 135.2 | -59.2 | -26.3 | 0 | 0 | 0 | 124.2 | ||||
| 381 | G | 21.9 | Very low | 22.7 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 131.6 | 83.8 | 137.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 382 | T | 21.9 | Very low | 22.6 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | 60.6 | 108.4 | 97.4 | 59.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 383 | T | 22.4 | Very low | 22.6 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | 52 | 124.6 | 126 | 68.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 384 | Q | 22.2 | Very low | 22.6 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | 152 | 125.1 | 108.5 | -91.2 | -166.7 | -5.9 | 0 | 0 | 114.5 | |||||
| 385 | N | 22 | Very low | 22.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | 75 | 122.4 | 127.2 | -69.7 | -15.2 | 0 | 0 | 0 | 124.8 | |||||
| 386 | Q | 23 | Very low | 23.1 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | 73.9 | 126.3 | 129.1 | -62.8 | 174.7 | 12.5 | 0 | 0 | 118.1 | |||||
| 387 | S | 21.3 | Very low | 23 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | -175 | 151.1 | 66.1 | 44 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 388 | S | 24.4 | Very low | 23 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -92.3 | 173.3 | 163.6 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 389 | P | 36.9 | Very low | 23 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | -161.7 | 177 | 67.8 | 42.9 | -20.5 | 0 | 0 | 0 | 119.9 | |||||
| 390 | R | 21.9 | Very low | 23.1 | Very low | 244 Ų | 244 | 134.2 Ų | 134.2 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | 82.9 | 148.6 | 154.2 | -75.8 | -179.3 | 175.2 | 170 | -1.6 | 119.8 | ||||
| 391 | A | 22.8 | Very low | 23.1 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | 167.2 | 131.3 | -32.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 392 | S | 21.3 | Very low | 23.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -170.3 | 157.8 | 144.6 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 393 | V | 22.5 | Very low | 23.2 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -121.7 | 159 | -150.9 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 394 | V | 20.1 | Very low | 23.2 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 132.9 | 123.8 | 135.9 | 178.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 395 | S | 22.6 | Very low | 23.4 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 171.4 | 168.1 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 396 | P | 29.4 | Very low | 23.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -152.3 | 175.3 | 82.7 | 35.5 | -13.5 | 0 | 0 | 0 | 116.8 | |||||
| 397 | R | 20.5 | Very low | 23.8 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -56.8 | 163.1 | 174.3 | -62.4 | 167 | 167.8 | 172.6 | -5.3 | 114.5 | ||||
| 398 | V | 21.8 | Very low | 24.1 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | 178.8 | 150.2 | 117.7 | 153.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 399 | S | 20.9 | Very low | 24.1 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | trans | -46.2 | 163.2 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 400 | L | 23.5 | Very low | 23.6 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | -173.6 | 144.9 | 117.9 | -95.1 | 161.9 | 0 | 0 | 0 | 112.2 | |||||
| 401 | Y | 21 | Very low | 23.8 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 152.1 | 164.5 | -82.5 | -107 | 0 | 0 | 0 | 110.9 | ||||
| 402 | H | 21.9 | Very low | 24 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | -163.9 | 133.3 | 127 | -96.3 | -54.5 | 0 | 0 | 0 | 112 | |||||
| 403 | S | 24.2 | Very low | 24.2 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 158.6 | 158.1 | 48.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 404 | L | 24 | Very low | 24.3 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -172.5 | 128.2 | 132 | -97.3 | 155.2 | 0 | 0 | 0 | 111.6 | ||||
| 405 | N | 25.3 | Very low | 24.8 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 160.7 | 157.1 | -106.9 | -8.5 | 0 | 0 | 0 | 109.1 | ||
| 406 | P | 29.1 | Very low | 25.2 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 147.5 | -169.3 | 34 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 407 | L | 24 | Very low | 25.6 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 160.9 | 163.8 | -76.1 | 150.5 | 0 | 0 | 0 | 111.3 | ||
| 408 | P | 27.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -131.6 | 134.6 | 119.5 | 27.8 | -12.8 | 0 | 0 | 0 | 114.3 | |||||
| 409 | R | 25.8 | Very low | 26.5 | Very low | 241 Ų | 241 | 154.5 Ų | 154.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 45.6 | 107.5 | 140.9 | -71.9 | -176.1 | 172.3 | 172.5 | -1.3 | 120.9 | ||||
| 410 | E | 26.4 | Very low | 26.8 | Very low | 206 Ų | 206 | 157.4 Ų | 157.4 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -3 | 134.6 | 142.2 | -64 | 176.5 | 170 | 0 | 0 | 119.7 | ||||
| 411 | G | 25.2 | Very low | 27.2 | Very low | 72 Ų | 72 | 157.3 Ų | 157.3 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 177.9 | 79.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 412 | E | 27.1 | Very low | 27.6 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 74.1 | 124.5 | 152.2 | -70.7 | -167.4 | -159.6 | 0 | 0 | 121.8 | ||||
| 413 | R | 25.2 | Very low | 28.1 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | 79 | 143.3 | 148.5 | -63.4 | 165.7 | -163.9 | -133.2 | 6.3 | 116.6 | ||||
| 414 | E | 25.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | cis | -164 | 127.7 | 1.5 | -111.6 | 160.7 | -151.6 | 0 | 0 | 103.8 | ||||
| 415 | D | 31.1 | Very low | 28.7 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -73.2 | 141.9 | 169.6 | -74.2 | -33.5 | 0 | 0 | 0 | 110.2 | ||||
| 416 | P | 31.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 160 Ų | 160 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -143.1 | 174.4 | 128.6 | 42.9 | -28.8 | 0 | 0 | 0 | 112.1 | |||||
| 417 | P | 37.6 | Very low | 29 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | -115.5 | 153.7 | -88.2 | 21 | 0.6 | 0 | 0 | 0 | 114 | |||||
| 418 | L | 30.5 | Very low | 29.6 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -10 | 126.7 | 151 | -65.5 | 155.1 | 0 | 0 | 0 | 117.5 | ||||
| 419 | F | 30.2 | Very low | 30.1 | Very low | 213 Ų | 213 | 163.1 Ų | 163.1 | 93% | 0.934 | 81% | 0.813 | S | S | * | * | trans | -85.8 | 119.5 | 157.3 | -90.2 | -87.1 | 0 | 0 | 0 | 110.2 | ||||
| 420 | M | 26.4 | Very low | 31.1 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -104.8 | 133 | 167.2 | -86 | -84.5 | -64.1 | 0 | 0 | 109.5 | ||||
| 421 | E | 33.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | 20.3 | 136.4 | 147.5 | -74.9 | 178.8 | 159.1 | 0 | 0 | 122.1 | ||||
| 422 | E | 29.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 146 | 158 | 100.2 | -124.9 | 178.8 | -174.4 | 0 | 0 | 114.7 | |||||
| 423 | N | 31.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -64.4 | 159.7 | -168.4 | -63.5 | -60 | 0 | 0 | 0 | 116.6 | ||||
| 424 | S | 27.2 | Very low | 36.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 125.9 | 124.9 | 133 | 73.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 425 | W | 34.4 | Very low | 39 | Very low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | 18.2 | 138.3 | 154.3 | -62.1 | 82.9 | 0 | 0 | 0 | 123.7 | ||||
| 426 | E | 28.8 | Very low | 41.4 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | trans | 85 | 118.1 | 155.5 | -70.2 | -175.1 | -179 | 0 | 0 | 120.7 | ||||
| 427 | G | 30.9 | Very low | 43.9 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | trans | 110.1 | 86 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | K429 | G427-K429 PolarHBondContact O-N 3.02Š| ||
| 428 | E | 37.2 | Very low | 46 | Very low | 198 Ų | 198 | 126 Ų | 126 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 36.5 | 15.5 | 143.1 | -73.9 | -174.9 | 161 | 0 | 0 | 122 | ||
| 429 | K | 38.5 | Very low | 48.6 | Very low | 204 Ų | 204 | 120.2 Ų | 120.2 | 89% | 0.887 | 63% | 0.628 | S | S | * | * | trans | -137.6 | 62 | 177.1 | -70.5 | -174.7 | 179.7 | 176.1 | 0 | 111.4 | G427 | G427-K429 PolarHBondContact O-N 3.02Š| ||
| 430 | S | 46.3 | Very low | 51.3 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 58% | 0.58 | 58% | 0.583 | S | S | * | * | trans | -147.2 | 16 | 167.7 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | L432 S433 | S430-L432 VanDerWaalsContact C-N 3.31Å; S430-L432 PolarHBondContact O-N 3.15Å; S430-S433 PolarHBondContact O-OG 2.72Å; S430-S433 PolarHBondContact OG-OG 3.16Å | ||
| 431 | E | 49.6 | Very low | 54.4 | Low | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -13.8 | -179 | -63.4 | -173.3 | 143.1 | 0 | 0 | 113.2 | R485 | E431-R485 IonicContact OE1-CZ 2.75Å; E431-R485 IonicContact OE1-NH1 3.54Å; E431-R485 PolarHBondContact OE1-NH1 3.47Å; E431-R485 IonicContact OE1-NH2 3.57Å; E431-R485 PolarHBondContact OE1-NH2 3.45Å; E431-R485 IonicContact OE2-CZ 3.01Å; E431-R485 VanDerWaalsContact OE2-CZ 3.26Å; E431-R485 IonicContact OE2-NH1 3.55Å; E431-R485 PolarHBondContact OE2-NH1 2.85Å; E431-R485 IonicContact OE2-NH2 3.37Å; E431-R485 PolarHBondContact OE2-NH2 3.46Å |
| 432 | L | 48.7 | Very low | 57 | Low | 151 Ų | 151 | 102.1 Ų | 102.1 | 79% | 0.791 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -5.1 | 178 | -82.2 | 148.7 | 0 | 0 | 0 | 113.6 | S430 | S430-L432 VanDerWaalsContact C-N 3.31Å; S430-L432 PolarHBondContact O-N 3.15Å |
| 433 | S | 52.7 | Low | 59.5 | Low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | trans | -116 | 24.9 | -175.4 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | S430 P435 | S430-S433 PolarHBondContact O-OG 2.72Å; S430-S433 PolarHBondContact OG-OG 3.16Å; S433-P435 VanDerWaalsContact O-CD 3.26Å; S433-P435 WeakPolarHBondContact O-CD 3.47Å | ||
| 434 | D | 68.8 | Low | 62.1 | Low | 39 Ų | 39 | 99 Ų | 99 | 21% | 0.209 | 53% | 0.526 | C | S | . | . | trans | -79.4 | 111 | 166.1 | -171.1 | -21.3 | 0 | 0 | 0 | 108.6 | T436 L437 A438 H475 V479 | D434-T436 PolarHBondContact O-N 2.75Å; D434-T436 VanDerWaalsContact O-N 3.17Å; D434-T436 WeakPolarHBondContact OD1-CB 3.24Å; D434-T436 PolarHBondContact OD1-N 3.02Å; D434-T436 PolarHBondContact OD1-OG1 2.83Å; D434-T436 PolarHBondContact OD2-OG1 2.95Å; D434-L437 HydrophobicContact CB-CB 4.07Å; D434-L437 WeakPolarHBondContact O-CB 3.28Å; D434-L437 PolarHBondContact O-N 3.05Å; D434-L437 VanDerWaalsContact O-N 3.13Å; D434-A438 PolarHBondContact O-N 3.23Å; D434-H475 IonicContact OD2-CE1 3.19Å; D434-H475 PolarHBondContact OD2-CE1 3.35Å; D434-H475 VanDerWaalsContact OD2-CE1 3.25Å; D434-H475 IonicContact OD2-NE2 3.54Å; D434-H475 PolarHBondContact OD2-NE2 2.84Å; D434-V479 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 435 | P | 75.9 | Confident | 64.9 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 66% | 0.656 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -25.6 | -179.3 | 26.6 | -35 | 0 | 0 | 0 | 112.2 | S433 L439 | S433-P435 VanDerWaalsContact O-CD 3.26Å; S433-P435 WeakPolarHBondContact O-CD 3.47Å; P435-L439 WeakPolarHBondContact O-CB 3.49Å; P435-L439 PolarHBondContact O-N 2.85Å |
| 436 | T | 80.3 | Confident | 67.3 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 14% | 0.135 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -72.5 | -35.7 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | D434 L440 F464 H475 | D434-T436 PolarHBondContact O-N 2.75Å; D434-T436 VanDerWaalsContact O-N 3.17Å; D434-T436 WeakPolarHBondContact OD1-CB 3.24Å; D434-T436 PolarHBondContact OD1-N 3.02Å; D434-T436 PolarHBondContact OD1-OG1 2.83Å; D434-T436 PolarHBondContact OD2-OG1 2.95Å; T436-L440 WeakPolarHBondContact O-CB 3.39Å; T436-L440 VanDerWaalsContact O-CG 3.22Å; T436-L440 WeakPolarHBondContact O-CG 3.42Å; T436-L440 PolarHBondContact O-N 3.47Å; T436-F464 HydrophobicContact CG2-CE1 3.85Å; T436-H475 PolarHBondContact OG1-NE2 3.23Å; T436-H475 VanDerWaalsContact OG1-NE2 3.12Å |
| 437 | L | 83.8 | Confident | 69.8 | Low | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.031 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.4 | -168.8 | 93.9 | 0 | 0 | 0 | 110.9 | D434 N441 V479 C482 A483 L486 M488 | D434-L437 HydrophobicContact CB-CB 4.07Å; D434-L437 WeakPolarHBondContact O-CB 3.28Å; D434-L437 PolarHBondContact O-N 3.05Å; D434-L437 VanDerWaalsContact O-N 3.13Å; L437-N441 WeakPolarHBondContact O-CB 3.42Å; L437-N441 PolarHBondContact O-N 2.95Å; L437-V479 HydrophobicContact CD1-CG1 3.98Å; L437-C482 HydrophobicContact CD1-CB 4.18Å; L437-A483 HydrophobicContact CD1-CB 3.91Å; L437-L486 HydrophobicContact CD2-CD1 4.05Å; L437-M488 HydrophobicContact CD1-SD 4.49Å; L437-M488 HydrophobicContact CD2-CE 3.99Å; L437-M488 HydrophobicContact CD2-SD 3.47Å; L437-M488 WeakPolarHBondContact CD2-SD 3.43Å; L437-M488 HydrophobicContact CG-SD 3.84Å |
| 438 | A | 82.7 | Confident | 72.1 | Confident | 63 Ų | 63 | 89.4 Ų | 89.4 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -48.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D434 L440 N441 | D434-A438 PolarHBondContact O-N 3.23Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.38Å; A438-N441 PolarHBondContact O-N 3.47Å |
| 439 | L | 84.6 | Confident | 74.4 | Confident | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 177.2 | 179.4 | 67.9 | 0 | 0 | 0 | 111.7 | P435 N441 H442 F449 T463 | P435-L439 WeakPolarHBondContact O-CB 3.49Å; P435-L439 PolarHBondContact O-N 2.85Å; L439-N441 PolarHBondContact O-N 3.48Å; L439-H442 PolarHBondContact O-CD2 2.88Å; L439-F449 HydrophobicContact CD1-CE1 4.05Å; L439-F449 HydrophobicContact CG-CE1 4.19Å; L439-F449 VanDerWaalsContact O-CE1 3.26Å; L439-F449 WeakPolarHBondContact O-CE1 3.33Å; L439-F449 VanDerWaalsContact O-CZ 3.29Å; L439-F449 WeakPolarHBondContact O-CZ 3.14Å; L439-T463 HydrophobicContact CD2-CG2 4.26Å |
| 440 | L | 87.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -74.1 | -9.6 | -176.1 | -65 | 179.8 | 0 | 0 | 0 | 114 | T436 A438 L452 V479 W490 A491 R494 A495 | T436-L440 WeakPolarHBondContact O-CB 3.39Å; T436-L440 VanDerWaalsContact O-CG 3.22Å; T436-L440 WeakPolarHBondContact O-CG 3.42Å; T436-L440 PolarHBondContact O-N 3.47Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.38Å; L440-L452 HydrophobicContact CD2-CD1 3.63Å; L440-V479 HydrophobicContact CD1-CG1 4.29Å; L440-W490 CarbonylContact O-C 3.56Å; L440-W490 VanDerWaalsContact O-C 3.29Å; L440-A491 HydrophobicContact CB-CB 4.09Å; L440-A491 WeakPolarHBondContact O-CA 3.38Å; L440-A491 PolarHBondContact O-N 3.02Å; L440-R494 HydrophobicContact CB-CB 4.3Å; L440-R494 HydrophobicContact CD2-CB 3.99Å; L440-R494 PolarHBondContact O-NH1 3.27Å; L440-A495 HydrophobicContact CD1-CB 4.37Å |
| 441 | N | 89.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.7 | -173.5 | -157.5 | 42.3 | 0 | 0 | 0 | 115.5 | L437 A438 L439 M488 A491 | L437-N441 WeakPolarHBondContact O-CB 3.42Å; L437-N441 PolarHBondContact O-N 2.95Å; A438-N441 PolarHBondContact O-N 3.47Å; L439-N441 PolarHBondContact O-N 3.48Å; N441-M488 WeakPolarHBondContact OD1-CB 3.13Å; N441-A491 HydrophobicContact CB-CB 3.9Å; N441-A491 PolarHBondContact OD1-N 2.73Å |
| 442 | H | 88.3 | Confident | 80.2 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | trans | -65.5 | 136.7 | 178.2 | -70.2 | -71.8 | 0 | 0 | 0 | 112.7 | L439 H444 Q446 F449 R494 | L439-H442 PolarHBondContact O-CD2 2.88Å; H442-H444 PolarHBondContact O-N 2.87Å; H442-Q446 PolarHBondContact CD2-OE1 3.08Å; H442-F449 HydrophobicContact CB-CE2 4.2Å; H442-F449 HydrophobicContact CB-CZ 3.9Å; H442-R494 VanDerWaalsContact O-CZ 3.29Å; H442-R494 PolarHBondContact O-NH1 3.18Å; H442-R494 PolarHBondContact O-NH2 3.16Å | ||
| 443 | E | 82.5 | Confident | 82 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -75.8 | -24.4 | -170.7 | -58.1 | -168.3 | 151.7 | 0 | 0 | 115.2 | W490 S528 | E443-W490 WeakPolarHBondContact O-CZ2 3.3Å; E443-S528 WeakPolarHBondContact O-CB 3.46Å; E443-S528 PolarHBondContact O-OG 2.88Å |
| 444 | H | 86.1 | Confident | 83.6 | Confident | 125 Ų | 125 | 57.7 Ų | 57.7 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -110.4 | 156.6 | -178.5 | -62.8 | -64.9 | 0 | 0 | 0 | 110.9 | H442 Q446 | H442-H444 PolarHBondContact O-N 2.87Å; H444-Q446 PolarHBondContact O-N 2.83Å |
| 445 | F | 85.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | trans | -56.9 | 135.4 | 168.7 | 177.4 | -102.3 | 0 | 0 | 0 | 111.1 | F449 L450 Y453 S528 P531 | F445-F449 HydrophobicContact CD2-CB 4.47Å; F445-F449 HydrophobicContact CE2-CB 4.28Å; F445-L450 HydrophobicContact CZ-CD1 4.46Å; F445-Y453 HydrophobicContact CD2-CE2 4.3Å; F445-Y453 HydrophobicContact CE2-CD2 4.41Å; F445-Y453 HydrophobicContact CE2-CE2 4.31Å; F445-S528 PolarHBondContact N-O 3.36Å; F445-S528 VanDerWaalsContact N-O 3.08Å; F445-P531 HydrophobicContact CD2-CB 4.32Å; F445-P531 HydrophobicContact CD2-CG 3.79Å; F445-P531 HydrophobicContact CE2-CB 4.18Å; F445-P531 HydrophobicContact CE2-CG 3.79Å; F445-P531 HydrophobicContact CG-CG 4.29Å; F445-P531 HydrophobicContact CZ-CG 4.29Å | ||
| 446 | Q | 85.4 | Confident | 84.5 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | trans | -127.2 | 147.4 | 171.4 | -67.8 | 176.1 | -18 | 0 | 0 | 107.7 | H442 H444 E448 F449 | H442-Q446 PolarHBondContact CD2-OE1 3.08Å; H444-Q446 PolarHBondContact O-N 2.83Å; Q446-E448 PolarHBondContact O-N 2.82Å; Q446-E448 VanDerWaalsContact O-N 3.11Å; Q446-F449 HydrophobicContact CB-CD2 4.05Å; Q446-F449 HydrophobicContact CB-CE2 3.89Å; Q446-F449 HydrophobicContact CB-CZ 4.26Å; Q446-F449 HydrophobicContact CG-CE2 4.12Å; Q446-F449 HydrophobicContact CG-CZ 4.43Å; Q446-F449 WeakPolarHBondContact O-CB 3.34Å; Q446-F449 PolarHBondContact O-N 2.92Å | ||
| 447 | D | 80.9 | Confident | 84.6 | Confident | 137 Ų | 137 | 58 Ų | 58 | 73% | 0.733 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -59.6 | -27.4 | -177.8 | -65.6 | -30.6 | 0 | 0 | 0 | 112.5 | F449 L450 | D447-F449 PolarHBondContact O-N 2.87Å; D447-F449 VanDerWaalsContact O-N 3.16Å; D447-L450 VanDerWaalsContact O-CB 3.29Å; D447-L450 WeakPolarHBondContact O-CB 3.11Å; D447-L450 PolarHBondContact O-N 3.4Å; D447-L450 VanDerWaalsContact O-N 3.07Å |
| 448 | E | 79.9 | Confident | 84.6 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -61.4 | -18.7 | 173.8 | -62.8 | 179.9 | -169.3 | 0 | 0 | 113.7 | Q446 P451 | Q446-E448 PolarHBondContact O-N 2.82Å; Q446-E448 VanDerWaalsContact O-N 3.11Å; E448-P451 WeakPolarHBondContact O-CD 3.46Å |
| 449 | F | 85.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -84.8 | -13.4 | 176.1 | -57.8 | -28.7 | 0 | 0 | 0 | 113.6 | L439 H442 F445 Q446 D447 P451 L452 Y453 | L439-F449 HydrophobicContact CD1-CE1 4.05Å; L439-F449 HydrophobicContact CG-CE1 4.19Å; L439-F449 VanDerWaalsContact O-CE1 3.26Å; L439-F449 WeakPolarHBondContact O-CE1 3.33Å; L439-F449 VanDerWaalsContact O-CZ 3.29Å; L439-F449 WeakPolarHBondContact O-CZ 3.14Å; H442-F449 HydrophobicContact CB-CE2 4.2Å; H442-F449 HydrophobicContact CB-CZ 3.9Å; F445-F449 HydrophobicContact CD2-CB 4.47Å; F445-F449 HydrophobicContact CE2-CB 4.28Å; Q446-F449 HydrophobicContact CB-CD2 4.05Å; Q446-F449 HydrophobicContact CB-CE2 3.89Å; Q446-F449 HydrophobicContact CB-CZ 4.26Å; Q446-F449 HydrophobicContact CG-CE2 4.12Å; Q446-F449 HydrophobicContact CG-CZ 4.43Å; Q446-F449 WeakPolarHBondContact O-CB 3.34Å; Q446-F449 PolarHBondContact O-N 2.92Å; D447-F449 PolarHBondContact O-N 2.87Å; D447-F449 VanDerWaalsContact O-N 3.16Å; F449-P451 VanDerWaalsContact C-CD 3.48Å; F449-L452 HydrophobicContact CB-CD1 4.22Å; F449-L452 HydrophobicContact CD1-CD1 3.89Å; F449-L452 HydrophobicContact CG-CD1 4.37Å; F449-L452 VanDerWaalsContact O-CB 3.24Å; F449-L452 WeakPolarHBondContact O-CB 3.48Å; F449-L452 PolarHBondContact O-N 2.8Å; F449-Y453 HydrophobicContact CB-CD2 4.36Å; F449-Y453 HydrophobicContact CB-CE2 3.61Å; F449-Y453 WeakPolarHBondContact O-CD2 3.45Å; F449-Y453 PolarHBondContact O-N 3.34Å |
| 450 | L | 83.7 | Confident | 84.6 | Confident | 92 Ų | 92 | 55 Ų | 55 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.8 | -44.1 | -178.8 | -166 | 72.4 | 0 | 0 | 0 | 112.7 | F445 D447 L452 Y453 D454 | F445-L450 HydrophobicContact CZ-CD1 4.46Å; D447-L450 VanDerWaalsContact O-CB 3.29Å; D447-L450 WeakPolarHBondContact O-CB 3.11Å; D447-L450 PolarHBondContact O-N 3.4Å; D447-L450 VanDerWaalsContact O-N 3.07Å; L450-L452 PolarHBondContact O-N 3.17Å; L450-Y453 PolarHBondContact O-N 2.94Å; L450-Y453 VanDerWaalsContact O-N 3.09Å; L450-D454 WeakPolarHBondContact O-CB 3.48Å; L450-D454 PolarHBondContact O-N 3.37Å |
| 451 | P | 85.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -23 | 175.5 | -22.6 | 35.1 | 0 | 0 | 0 | 114.7 | E448 F449 Y453 F459 M462 | E448-P451 WeakPolarHBondContact O-CD 3.46Å; F449-P451 VanDerWaalsContact C-CD 3.48Å; P451-Y453 VanDerWaalsContact C-N 3.34Å; P451-F459 WeakPolarHBondContact O-CB 3.47Å; P451-F459 PolarHBondContact O-N 3.34Å; P451-M462 HydrophobicContact CB-CB 4.2Å; P451-M462 HydrophobicContact CG-CB 4.47Å |
| 452 | L | 85.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -36.1 | 175.8 | -59.8 | 174.3 | 0 | 0 | 0 | 111.2 | L440 F449 L450 F459 T463 F464 V498 R501 | L440-L452 HydrophobicContact CD2-CD1 3.63Å; F449-L452 HydrophobicContact CB-CD1 4.22Å; F449-L452 HydrophobicContact CD1-CD1 3.89Å; F449-L452 HydrophobicContact CG-CD1 4.37Å; F449-L452 VanDerWaalsContact O-CB 3.24Å; F449-L452 WeakPolarHBondContact O-CB 3.48Å; F449-L452 PolarHBondContact O-N 2.8Å; L450-L452 PolarHBondContact O-N 3.17Å; L452-F459 HydrophobicContact CD2-CB 3.78Å; L452-F459 HydrophobicContact CD2-CG 4.46Å; L452-T463 HydrophobicContact CD2-CG2 4.23Å; L452-F464 HydrophobicContact CD2-CE2 4.17Å; L452-V498 HydrophobicContact CD2-CG2 4.21Å; L452-R501 PolarHBondContact O-NH2 2.85Å |
| 453 | Y | 88.2 | Confident | 83 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -101 | -24 | -169.8 | -49.2 | -30.9 | 0 | 0 | 0 | 112.8 | F445 F449 L450 P451 R494 F497 D529 P531 L532 M573 | F445-Y453 HydrophobicContact CD2-CE2 4.3Å; F445-Y453 HydrophobicContact CE2-CD2 4.41Å; F445-Y453 HydrophobicContact CE2-CE2 4.31Å; F449-Y453 HydrophobicContact CB-CD2 4.36Å; F449-Y453 HydrophobicContact CB-CE2 3.61Å; F449-Y453 WeakPolarHBondContact O-CD2 3.45Å; F449-Y453 PolarHBondContact O-N 3.34Å; L450-Y453 PolarHBondContact O-N 2.94Å; L450-Y453 VanDerWaalsContact O-N 3.09Å; P451-Y453 VanDerWaalsContact C-N 3.34Å; Y453-R494 WeakPolarHBondContact OH-CD 3.35Å; Y453-R494 PolarHBondContact OH-NE 3.26Å; Y453-F497 AromaticContact CD1-CD1 3.99Å; Y453-F497 HydrophobicContact CD1-CD1 3.99Å; Y453-F497 AromaticContact CD1-CE1 3.57Å; Y453-F497 HydrophobicContact CD1-CE1 3.57Å; Y453-F497 HydrophobicContact CD1-CZ 4.31Å; Y453-F497 HydrophobicContact CE1-CD1 4.15Å; Y453-F497 HydrophobicContact CE1-CE1 4.19Å; Y453-D529 PolarHBondContact OH-OD2 3.12Å; Y453-D529 VanDerWaalsContact OH-OD2 3.08Å; Y453-P531 HydrophobicContact CD2-CB 3.81Å; Y453-P531 HydrophobicContact CE2-CB 4.38Å; Y453-L532 HydrophobicContact CD1-CD1 4.15Å; Y453-L532 HydrophobicContact CE1-CB 4.09Å; Y453-L532 HydrophobicContact CE1-CD1 3.59Å; Y453-L532 HydrophobicContact CE1-CG 4.33Å; Y453-L532 HydrophobicContact CE2-CB 3.94Å; Y453-M573 VanDerWaalsContact C-CE 3.49Å; Y453-M573 HydrophobicContact CG-CE 4.34Å; Y453-M573 WeakPolarHBondContact O-CB 3.45Å; Y453-M573 WeakPolarHBondContact O-CE 3.37Å |
| 454 | D | 85.4 | Confident | 82.9 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -53.7 | 157.5 | -171.4 | 81.1 | -30.2 | 0 | 0 | 0 | 115.2 | L450 H456 C457 S458 R501 | L450-D454 WeakPolarHBondContact O-CB 3.48Å; L450-D454 PolarHBondContact O-N 3.37Å; D454-H456 VanDerWaalsContact C-N 3.25Å; D454-H456 PolarHBondContact O-N 3.05Å; D454-C457 PolarHBondContact O-N 3.07Å; D454-C457 WeakPolarHBondContact OD1-CA 3.48Å; D454-C457 PolarHBondContact OD1-N 3.32Å; D454-S458 PolarHBondContact OD1-N 3.45Å; D454-S458 WeakPolarHBondContact OD2-CB 3.37Å; D454-S458 PolarHBondContact OD2-N 3.17Å; D454-S458 PolarHBondContact OD2-OG 3.16Å; D454-R501 PolarHBondContact O-NH1 3.33Å; D454-R501 PolarHBondContact O-NH2 3.01Å; D454-R501 IonicContact OD1-NH2 3.16Å |
| 455 | L | 83.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -37.8 | 178.6 | -171.9 | 70 | 0 | 0 | 0 | 113.8 | C457 S575 L607 V610 L611 | L455-C457 PolarHBondContact O-N 2.96Å; L455-S575 VanDerWaalsContact CD1-N 3.29Å; L455-L607 HydrophobicContact CD1-CD1 4.44Å; L455-V610 HydrophobicContact CD2-CG1 3.53Å; L455-L611 HydrophobicContact CD1-CD2 4.33Å; L455-L611 HydrophobicContact CD2-CD2 3.75Å; L455-L611 HydrophobicContact CD2-CG 4.3Å; L455-L611 HydrophobicContact CG-CD2 4.29Å |
| 456 | H | 80.5 | Confident | 80.6 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 60% | 0.602 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.9 | -169.5 | -65.1 | -61.5 | 0 | 0 | 0 | 114.6 | D454 S458 | D454-H456 VanDerWaalsContact C-N 3.25Å; D454-H456 PolarHBondContact O-N 3.05Å; H456-S458 VanDerWaalsContact C-N 3.3Å |
| 457 | C | 82.4 | Confident | 80 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | trans | 57.7 | 43.7 | -173.5 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | D454 L455 F459 L460 R501 | D454-C457 PolarHBondContact O-N 3.07Å; D454-C457 WeakPolarHBondContact OD1-CA 3.48Å; D454-C457 PolarHBondContact OD1-N 3.32Å; L455-C457 PolarHBondContact O-N 2.96Å; C457-F459 HydrophobicContact CB-CD1 4.17Å; C457-F459 HydrophobicContact CB-CE1 3.7Å; C457-F459 PolarHBondContact O-N 3.36Å; C457-F459 VanDerWaalsContact O-N 3.15Å; C457-L460 HydrophobicContact CB-CD1 4.05Å; C457-L460 HydrophobicContact CB-CG 4.42Å; C457-L460 WeakPolarHBondContact O-CB 3.23Å; C457-L460 PolarHBondContact O-N 2.7Å; C457-L460 VanDerWaalsContact O-N 3.15Å; C457-R501 PolarHBondContact SG-NH1 3.07Å | ||
| 458 | S | 84.7 | Confident | 79.9 | Confident | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.3 | -173 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | D454 H456 L460 W461 M462 | D454-S458 PolarHBondContact OD1-N 3.45Å; D454-S458 WeakPolarHBondContact OD2-CB 3.37Å; D454-S458 PolarHBondContact OD2-N 3.17Å; D454-S458 PolarHBondContact OD2-OG 3.16Å; H456-S458 VanDerWaalsContact C-N 3.3Å; S458-L460 PolarHBondContact O-N 3.22Å; S458-W461 VanDerWaalsContact CA-NE1 3.28Å; S458-W461 VanDerWaalsContact O-CD1 3.28Å; S458-W461 PolarHBondContact O-N 3.35Å; S458-W461 PolarHBondContact O-NE1 3.49Å; S458-M462 WeakPolarHBondContact O-CB 3.48Å; S458-M462 PolarHBondContact O-N 3Å |
| 459 | F | 84.3 | Confident | 79.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.1 | -30.7 | 172.8 | 72.1 | -84.6 | 0 | 0 | 0 | 114 | P451 L452 C457 W461 T463 F464 L472 V498 L502 | P451-F459 WeakPolarHBondContact O-CB 3.47Å; P451-F459 PolarHBondContact O-N 3.34Å; L452-F459 HydrophobicContact CD2-CB 3.78Å; L452-F459 HydrophobicContact CD2-CG 4.46Å; C457-F459 HydrophobicContact CB-CD1 4.17Å; C457-F459 HydrophobicContact CB-CE1 3.7Å; C457-F459 PolarHBondContact O-N 3.36Å; C457-F459 VanDerWaalsContact O-N 3.15Å; F459-W461 PolarHBondContact O-N 3.43Å; F459-T463 WeakPolarHBondContact O-CA 3.47Å; F459-T463 WeakPolarHBondContact O-CB 3.24Å; F459-T463 PolarHBondContact O-N 2.67Å; F459-F464 HydrophobicContact CB-CD2 4.33Å; F459-F464 HydrophobicContact CB-CE2 4.37Å; F459-F464 AromaticContact CD2-CD2 3.77Å; F459-F464 HydrophobicContact CD2-CD2 3.77Å; F459-F464 AromaticContact CD2-CE2 3.89Å; F459-F464 HydrophobicContact CD2-CE2 3.89Å; F459-F464 WeakPolarHBondContact O-CD2 2.95Å; F459-F464 PolarHBondContact O-N 3.32Å; F459-L472 HydrophobicContact CE2-CD2 4.16Å; F459-V498 HydrophobicContact CD2-CG1 3.82Å; F459-V498 HydrophobicContact CE2-CG1 3.43Å; F459-V498 VanDerWaalsContact CE2-CG1 3.43Å; F459-V498 HydrophobicContact CZ-CG1 3.9Å; F459-L502 HydrophobicContact CE2-CD2 4.01Å; F459-L502 HydrophobicContact CE2-CG 4.25Å; F459-L502 HydrophobicContact CZ-CD2 3.88Å; F459-L502 HydrophobicContact CZ-CG 4.16Å |
| 460 | L | 81.4 | Confident | 79.6 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57 | -35.3 | 178.7 | -71.8 | 174.8 | 0 | 0 | 0 | 112.3 | C457 S458 F464 G465 E469 L472 L502 | C457-L460 HydrophobicContact CB-CD1 4.05Å; C457-L460 HydrophobicContact CB-CG 4.42Å; C457-L460 WeakPolarHBondContact O-CB 3.23Å; C457-L460 PolarHBondContact O-N 2.7Å; C457-L460 VanDerWaalsContact O-N 3.15Å; S458-L460 PolarHBondContact O-N 3.22Å; L460-F464 CarbonylContact O-C 3.13Å; L460-G465 WeakPolarHBondContact O-CA 3.35Å; L460-G465 PolarHBondContact O-N 3.06Å; L460-E469 HydrophobicContact CD2-CG 4.37Å; L460-L472 HydrophobicContact CD2-CD2 3.83Å; L460-L502 HydrophobicContact CD2-CD2 3.75Å |
| 461 | W | 77.3 | Confident | 79.6 | Confident | 164 Ų | 164 | 63.6 Ų | 63.6 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -113.9 | -33.8 | -176.3 | 60.8 | -87.9 | 0 | 0 | 0 | 113.1 | S458 F459 G465 | S458-W461 VanDerWaalsContact CA-NE1 3.28Å; S458-W461 VanDerWaalsContact O-CD1 3.28Å; S458-W461 PolarHBondContact O-N 3.35Å; S458-W461 PolarHBondContact O-NE1 3.49Å; F459-W461 PolarHBondContact O-N 3.43Å; W461-G465 WeakPolarHBondContact O-CA 3.47Å |
| 462 | M | 77.8 | Confident | 79.5 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -79 | -36.6 | 178 | -74.5 | -66.3 | -85.1 | 0 | 0 | 113.6 | P451 S458 | P451-M462 HydrophobicContact CB-CB 4.2Å; P451-M462 HydrophobicContact CG-CB 4.47Å; S458-M462 WeakPolarHBondContact O-CB 3.48Å; S458-M462 PolarHBondContact O-N 3Å |
| 463 | T | 77.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -31.2 | -171.8 | -45.6 | 0 | 0 | 0 | 0 | 112.1 | L439 L452 F459 | L439-T463 HydrophobicContact CD2-CG2 4.26Å; L452-T463 HydrophobicContact CD2-CG2 4.23Å; F459-T463 WeakPolarHBondContact O-CA 3.47Å; F459-T463 WeakPolarHBondContact O-CB 3.24Å; F459-T463 PolarHBondContact O-N 2.67Å |
| 464 | F | 80.2 | Confident | 79.3 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 19.3 | -174.2 | -56 | -78.9 | 0 | 0 | 0 | 114.3 | T436 L452 F459 L460 E466 K467 L472 L476 | T436-F464 HydrophobicContact CG2-CE1 3.85Å; L452-F464 HydrophobicContact CD2-CE2 4.17Å; F459-F464 HydrophobicContact CB-CD2 4.33Å; F459-F464 HydrophobicContact CB-CE2 4.37Å; F459-F464 AromaticContact CD2-CD2 3.77Å; F459-F464 HydrophobicContact CD2-CD2 3.77Å; F459-F464 AromaticContact CD2-CE2 3.89Å; F459-F464 HydrophobicContact CD2-CE2 3.89Å; F459-F464 WeakPolarHBondContact O-CD2 2.95Å; F459-F464 PolarHBondContact O-N 3.32Å; L460-F464 CarbonylContact O-C 3.13Å; F464-E466 PolarHBondContact O-N 3.15Å; F464-K467 PolarHBondContact O-N 3.2Å; F464-L472 HydrophobicContact CB-CD1 3.76Å; F464-L472 HydrophobicContact CB-CD2 4.14Å; F464-L472 HydrophobicContact CD1-CD1 3.55Å; F464-L472 HydrophobicContact CD2-CD1 3.95Å; F464-L472 HydrophobicContact CD2-CD2 4.25Å; F464-L472 HydrophobicContact CE1-CD1 4.07Å; F464-L472 HydrophobicContact CE2-CD1 4.43Å; F464-L472 HydrophobicContact CG-CD1 3.48Å; F464-L472 VanDerWaalsContact CG-CD1 3.48Å; F464-L472 HydrophobicContact CG-CD2 4.29Å; F464-L472 HydrophobicContact CZ-CD1 4.48Å; F464-L476 HydrophobicContact CE1-CD2 4.44Å; F464-L476 HydrophobicContact CZ-CD2 4.1Å |
| 465 | G | 60.3 | Low | 79.3 | Confident | 54 Ų | 54 | 66 Ų | 66 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -4.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 120 | L460 W461 | L460-G465 WeakPolarHBondContact O-CA 3.35Å; L460-G465 PolarHBondContact O-N 3.06Å; W461-G465 WeakPolarHBondContact O-CA 3.47Å |
| 466 | E | 62.4 | Low | 79.5 | Confident | 197 Ų | 197 | 64.9 Ų | 64.9 | 92% | 0.921 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.9 | 177.6 | -62.3 | -174.9 | 163.8 | 0 | 0 | 114.1 | F464 | F464-E466 PolarHBondContact O-N 3.15Š|
| 467 | K | 72.6 | Confident | 79.9 | Confident | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -104.3 | 143.6 | -174.6 | -63.8 | -178.4 | 179.7 | 179.7 | 0 | 112.6 | F464 E471 L472 H475 | F464-K467 PolarHBondContact O-N 3.2Å; K467-E471 HydrophobicContact CB-CB 4.49Å; K467-L472 HydrophobicContact CB-CB 4.41Å; K467-H475 VanDerWaalsContact NZ-CG 3.34Å; K467-H475 PolarHBondContact NZ-ND1 3.03Å |
| 468 | T | 78.9 | Confident | 80.2 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | trans | -69.6 | 156.2 | 170.1 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | D470 E471 L472 | T468-D470 PolarHBondContact O-N 2.92Å; T468-D470 VanDerWaalsContact O-N 3.11Å; T468-E471 WeakPolarHBondContact CB-OE2 3Å; T468-E471 PolarHBondContact N-OE2 3.31Å; T468-E471 PolarHBondContact O-N 2.87Å; T468-E471 WeakPolarHBondContact OG1-CB 3.46Å; T468-E471 WeakPolarHBondContact OG1-CG 3.4Å; T468-E471 PolarHBondContact OG1-N 3.41Å; T468-E471 PolarHBondContact OG1-OE2 3.09Å; T468-L472 WeakPolarHBondContact O-CB 2.93Å; T468-L472 PolarHBondContact O-N 3.39Å | ||
| 469 | E | 80.5 | Confident | 80.3 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.1 | -26.2 | -178.5 | -72 | -168.3 | 177.1 | 0 | 0 | 113.4 | L460 S473 R505 K506 | L460-E469 HydrophobicContact CD2-CG 4.37Å; E469-S473 PolarHBondContact O-N 2.79Å; E469-S473 PolarHBondContact O-OG 2.91Å; E469-R505 IonicContact OE1-CZ 3.67Å; E469-R505 IonicContact OE1-NE 2.59Å; E469-R505 PolarHBondContact OE1-NE 3.06Å; E469-R505 IonicContact OE1-NH2 2.69Å; E469-K506 PolarHBondContact O-NZ 2.89Å; E469-K506 WeakPolarHBondContact OE2-CE 3.5Å |
| 470 | D | 80.3 | Confident | 80.8 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -82.3 | -41.7 | 177.5 | -71.2 | -28.1 | 0 | 0 | 0 | 112 | T468 L472 S473 G474 K506 | T468-D470 PolarHBondContact O-N 2.92Å; T468-D470 VanDerWaalsContact O-N 3.11Å; D470-L472 VanDerWaalsContact C-N 3.31Å; D470-L472 PolarHBondContact O-N 3.32Å; D470-S473 WeakPolarHBondContact O-CB 3.29Å; D470-S473 PolarHBondContact O-N 3.31Å; D470-G474 PolarHBondContact O-N 3.22Å; D470-G474 VanDerWaalsContact O-N 3.09Å; D470-K506 IonicContact OD1-NZ 3.88Å; D470-K506 PolarHBondContact OD1-NZ 2.81Å |
| 471 | E | 82.1 | Confident | 81.2 | Confident | 117 Ų | 117 | 70.1 Ų | 70.1 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 171.6 | -71.3 | 163 | 167.1 | 0 | 0 | 111.6 | K467 T468 G474 H475 | K467-E471 HydrophobicContact CB-CB 4.49Å; T468-E471 WeakPolarHBondContact CB-OE2 3Å; T468-E471 PolarHBondContact N-OE2 3.31Å; T468-E471 PolarHBondContact O-N 2.87Å; T468-E471 WeakPolarHBondContact OG1-CB 3.46Å; T468-E471 WeakPolarHBondContact OG1-CG 3.4Å; T468-E471 PolarHBondContact OG1-N 3.41Å; T468-E471 PolarHBondContact OG1-OE2 3.09Å; E471-G474 PolarHBondContact O-N 3.03Å; E471-H475 WeakPolarHBondContact O-CB 3.45Å; E471-H475 PolarHBondContact O-N 3.47Å |
| 472 | L | 85 | Confident | 81.6 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 175.1 | -178.4 | 60.8 | 0 | 0 | 0 | 111.9 | F459 L460 F464 K467 T468 D470 H475 L476 L502 | F459-L472 HydrophobicContact CE2-CD2 4.16Å; L460-L472 HydrophobicContact CD2-CD2 3.83Å; F464-L472 HydrophobicContact CB-CD1 3.76Å; F464-L472 HydrophobicContact CB-CD2 4.14Å; F464-L472 HydrophobicContact CD1-CD1 3.55Å; F464-L472 HydrophobicContact CD2-CD1 3.95Å; F464-L472 HydrophobicContact CD2-CD2 4.25Å; F464-L472 HydrophobicContact CE1-CD1 4.07Å; F464-L472 HydrophobicContact CE2-CD1 4.43Å; F464-L472 HydrophobicContact CG-CD1 3.48Å; F464-L472 VanDerWaalsContact CG-CD1 3.48Å; F464-L472 HydrophobicContact CG-CD2 4.29Å; F464-L472 HydrophobicContact CZ-CD1 4.48Å; K467-L472 HydrophobicContact CB-CB 4.41Å; T468-L472 WeakPolarHBondContact O-CB 2.93Å; T468-L472 PolarHBondContact O-N 3.39Å; D470-L472 VanDerWaalsContact C-N 3.31Å; D470-L472 PolarHBondContact O-N 3.32Å; L472-H475 PolarHBondContact O-N 2.94Å; L472-L476 HydrophobicContact CD1-CD1 3.95Å; L472-L476 HydrophobicContact CD1-CG 4.01Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 HydrophobicContact CG-CG 4.38Å; L472-L476 WeakPolarHBondContact O-CB 3.38Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.36Å; L472-L476 PolarHBondContact O-N 2.73Å; L472-L502 HydrophobicContact CD2-CD1 4.12Å; L472-L502 HydrophobicContact CD2-CD2 4.44Å; L472-L502 HydrophobicContact CG-CD1 4.11Å |
| 473 | S | 84.2 | Confident | 82.2 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | E469 D470 L476 E477 K506 | E469-S473 PolarHBondContact O-N 2.79Å; E469-S473 PolarHBondContact O-OG 2.91Å; D470-S473 WeakPolarHBondContact O-CB 3.29Å; D470-S473 PolarHBondContact O-N 3.31Å; S473-L476 PolarHBondContact O-N 3.33Å; S473-E477 WeakPolarHBondContact O-CG 3.42Å; S473-E477 PolarHBondContact O-N 3.01Å; S473-K506 PolarHBondContact OG-NZ 3.14Å |
| 474 | G | 84.4 | Confident | 82.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D470 E471 E477 S478 | D470-G474 PolarHBondContact O-N 3.22Å; D470-G474 VanDerWaalsContact O-N 3.09Å; E471-G474 PolarHBondContact O-N 3.03Å; G474-E477 PolarHBondContact O-N 3.44Å; G474-S478 PolarHBondContact O-N 3.02Å; G474-S478 VanDerWaalsContact O-N 3.14Å |
| 475 | H | 85 | Confident | 83.3 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 175.2 | -176.7 | 78 | 0 | 0 | 0 | 111.7 | D434 T436 K467 E471 L472 E477 S478 V479 | D434-H475 IonicContact OD2-CE1 3.19Å; D434-H475 PolarHBondContact OD2-CE1 3.35Å; D434-H475 VanDerWaalsContact OD2-CE1 3.25Å; D434-H475 IonicContact OD2-NE2 3.54Å; D434-H475 PolarHBondContact OD2-NE2 2.84Å; T436-H475 PolarHBondContact OG1-NE2 3.23Å; T436-H475 VanDerWaalsContact OG1-NE2 3.12Å; K467-H475 VanDerWaalsContact NZ-CG 3.34Å; K467-H475 PolarHBondContact NZ-ND1 3.03Å; E471-H475 WeakPolarHBondContact O-CB 3.45Å; E471-H475 PolarHBondContact O-N 3.47Å; L472-H475 PolarHBondContact O-N 2.94Å; H475-E477 VanDerWaalsContact C-N 3.32Å; H475-E477 PolarHBondContact O-N 2.61Å; H475-S478 WeakPolarHBondContact O-CB 3.4Å; H475-S478 PolarHBondContact O-N 2.68Å; H475-V479 WeakPolarHBondContact O-CG2 3.27Å; H475-V479 PolarHBondContact O-N 3.39Å |
| 476 | L | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.1 | -30 | -179.5 | -71.8 | 171 | 0 | 0 | 0 | 113.1 | F464 L472 S473 V479 R480 V498 L499 L502 | F464-L476 HydrophobicContact CE1-CD2 4.44Å; F464-L476 HydrophobicContact CZ-CD2 4.1Å; L472-L476 HydrophobicContact CD1-CD1 3.95Å; L472-L476 HydrophobicContact CD1-CG 4.01Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 HydrophobicContact CG-CG 4.38Å; L472-L476 WeakPolarHBondContact O-CB 3.38Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.36Å; L472-L476 PolarHBondContact O-N 2.73Å; S473-L476 PolarHBondContact O-N 3.33Å; L476-V479 PolarHBondContact O-N 3.22Å; L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 3.34Å; L476-V498 HydrophobicContact CD1-CB 4.2Å; L476-V498 HydrophobicContact CD1-CG1 3.53Å; L476-L499 HydrophobicContact CB-CD1 4.32Å; L476-L499 HydrophobicContact CB-CD2 3.53Å; L476-L499 HydrophobicContact CB-CG 3.75Å; L476-L499 HydrophobicContact CD1-CD2 4.37Å; L476-L502 HydrophobicContact CD1-CD1 3.69Å |
| 477 | E | 88.7 | Confident | 85.8 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 171.3 | -78.1 | 177.9 | 173.8 | 0 | 0 | 111.2 | S473 G474 H475 R480 E481 L499 Y515 | S473-E477 WeakPolarHBondContact O-CG 3.42Å; S473-E477 PolarHBondContact O-N 3.01Å; G474-E477 PolarHBondContact O-N 3.44Å; H475-E477 VanDerWaalsContact C-N 3.32Å; H475-E477 PolarHBondContact O-N 2.61Å; E477-R480 PolarHBondContact O-N 3.48Å; E477-E481 WeakPolarHBondContact O-CG 3.38Å; E477-E481 PolarHBondContact O-N 3.14Å; E477-L499 HydrophobicContact CG-CD1 3.95Å; E477-L499 HydrophobicContact CG-CD2 3.9Å; E477-Y515 PolarHBondContact OE1-OH 3.47Å |
| 478 | S | 88.2 | Confident | 86.7 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | G474 H475 R480 E481 C482 | G474-S478 PolarHBondContact O-N 3.02Å; G474-S478 VanDerWaalsContact O-N 3.14Å; H475-S478 WeakPolarHBondContact O-CB 3.4Å; H475-S478 PolarHBondContact O-N 2.68Å; S478-R480 VanDerWaalsContact C-N 3.34Å; S478-R480 PolarHBondContact O-N 3.2Å; S478-E481 PolarHBondContact O-N 3.45Å; S478-C482 WeakPolarHBondContact O-CB 3.45Å; S478-C482 PolarHBondContact O-N 3.2Å; S478-C482 PolarHBondContact O-SG 2.7Å |
| 479 | V | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | D434 L437 L440 H475 L476 C482 A483 A495 | D434-V479 WeakPolarHBondContact OD2-CG2 3.43Å; L437-V479 HydrophobicContact CD1-CG1 3.98Å; L440-V479 HydrophobicContact CD1-CG1 4.29Å; H475-V479 WeakPolarHBondContact O-CG2 3.27Å; H475-V479 PolarHBondContact O-N 3.39Å; L476-V479 PolarHBondContact O-N 3.22Å; V479-C482 PolarHBondContact O-N 3.34Å; V479-A483 VanDerWaalsContact O-CB 3.26Å; V479-A483 WeakPolarHBondContact O-CB 3.47Å; V479-A483 PolarHBondContact O-N 3.04Å; V479-A495 HydrophobicContact CG1-CB 4.26Å |
| 480 | R | 92.8 | Very high | 87.8 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.9 | 169.1 | -179.5 | 161.6 | -115.8 | 0.5 | 111.7 | L476 E477 S478 K484 A495 C496 L499 E518 | L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 3.34Å; E477-R480 PolarHBondContact O-N 3.48Å; S478-R480 VanDerWaalsContact C-N 3.34Å; S478-R480 PolarHBondContact O-N 3.2Å; R480-K484 WeakPolarHBondContact O-CB 3.46Å; R480-K484 PolarHBondContact O-N 3.47Å; R480-A495 HydrophobicContact CB-CB 4.05Å; R480-C496 WeakPolarHBondContact CD-SG 3.41Å; R480-L499 HydrophobicContact CB-CD1 4.16Å; R480-E518 IonicContact CZ-OE1 3.26Å; R480-E518 IonicContact CZ-OE2 3.14Å; R480-E518 IonicContact NE-OE1 2.73Å; R480-E518 PolarHBondContact NE-OE1 3.11Å; R480-E518 VanDerWaalsContact NE-OE1 3.14Å; R480-E518 IonicContact NE-OE2 2.66Å; R480-E518 PolarHBondContact NE-OE2 3.48Å; R480-E518 VanDerWaalsContact NH2-CD 3.28Å; R480-E518 IonicContact NH2-OE1 2.77Å; R480-E518 PolarHBondContact NH2-OE1 3.09Å; R480-E518 VanDerWaalsContact NH2-OE1 3.16Å; R480-E518 IonicContact NH2-OE2 3.57Å; R480-E518 PolarHBondContact NH2-OE2 3.23Å |
| 481 | E | 90.1 | Very high | 88.3 | Confident | 131 Ų | 131 | 55 Ų | 55 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 179.4 | -72.3 | -173.8 | 173.4 | 0 | 0 | 112.1 | E477 S478 K484 R485 | E477-E481 WeakPolarHBondContact O-CG 3.38Å; E477-E481 PolarHBondContact O-N 3.14Å; S478-E481 PolarHBondContact O-N 3.45Å; E481-K484 PolarHBondContact O-N 2.88Å; E481-R485 WeakPolarHBondContact O-CB 3.29Å; E481-R485 PolarHBondContact O-N 3.24Å |
| 482 | C | 87.3 | Confident | 88.8 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.5 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | L437 S478 V479 K484 R485 L486 | L437-C482 HydrophobicContact CD1-CB 4.18Å; S478-C482 WeakPolarHBondContact O-CB 3.45Å; S478-C482 PolarHBondContact O-N 3.2Å; S478-C482 PolarHBondContact O-SG 2.7Å; V479-C482 PolarHBondContact O-N 3.34Å; C482-K484 VanDerWaalsContact C-N 3.31Å; C482-K484 PolarHBondContact O-N 3.47Å; C482-R485 PolarHBondContact O-N 3.01Å; C482-R485 PolarHBondContact SG-NH2 3.28Å; C482-R485 VanDerWaalsContact SG-NH2 3.39Å; C482-L486 WeakPolarHBondContact O-CB 3.29Å; C482-L486 WeakPolarHBondContact O-CG 3.26Å; C482-L486 PolarHBondContact O-N 2.87Å |
| 483 | A | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L437 V479 L486 G487 M488 A491 H492 | L437-A483 HydrophobicContact CD1-CB 3.91Å; V479-A483 VanDerWaalsContact O-CB 3.26Å; V479-A483 WeakPolarHBondContact O-CB 3.47Å; V479-A483 PolarHBondContact O-N 3.04Å; A483-L486 PolarHBondContact O-N 3.34Å; A483-G487 PolarHBondContact O-N 3.44Å; A483-G487 VanDerWaalsContact O-N 3.08Å; A483-M488 HydrophobicContact CB-CB 4.25Å; A483-M488 PolarHBondContact O-N 3.1Å; A483-A491 HydrophobicContact CB-CB 3.8Å; A483-H492 HydrophobicContact CB-CB 4Å |
| 484 | K | 91.1 | Very high | 89.6 | Confident | 127 Ų | 127 | 49.3 Ų | 49.3 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.1 | -42.4 | 176.9 | -173.2 | 175.8 | -177.3 | 173.1 | 0 | 112.1 | R480 E481 C482 G487 | R480-K484 WeakPolarHBondContact O-CB 3.46Å; R480-K484 PolarHBondContact O-N 3.47Å; E481-K484 PolarHBondContact O-N 2.88Å; C482-K484 VanDerWaalsContact C-N 3.31Å; C482-K484 PolarHBondContact O-N 3.47Å; K484-G487 PolarHBondContact O-N 2.64Å |
| 485 | R | 90.1 | Very high | 89.9 | Confident | 145 Ų | 145 | 47.4 Ų | 47.4 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.5 | 176.5 | 170.9 | 47.3 | 132.7 | -3.4 | 112.5 | E431 E481 C482 G487 | E431-R485 IonicContact OE1-CZ 2.75Å; E431-R485 IonicContact OE1-NH1 3.54Å; E431-R485 PolarHBondContact OE1-NH1 3.47Å; E431-R485 IonicContact OE1-NH2 3.57Å; E431-R485 PolarHBondContact OE1-NH2 3.45Å; E431-R485 IonicContact OE2-CZ 3.01Å; E431-R485 VanDerWaalsContact OE2-CZ 3.26Å; E431-R485 IonicContact OE2-NH1 3.55Å; E431-R485 PolarHBondContact OE2-NH1 2.85Å; E431-R485 IonicContact OE2-NH2 3.37Å; E431-R485 PolarHBondContact OE2-NH2 3.46Å; E481-R485 WeakPolarHBondContact O-CB 3.29Å; E481-R485 PolarHBondContact O-N 3.24Å; C482-R485 PolarHBondContact O-N 3.01Å; C482-R485 PolarHBondContact SG-NH2 3.28Å; C482-R485 VanDerWaalsContact SG-NH2 3.39Å; R485-G487 VanDerWaalsContact C-N 3.31Å |
| 486 | L | 88.3 | Confident | 90.3 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -2.1 | -179.4 | -65.4 | 173.7 | 0 | 0 | 0 | 113.7 | L437 C482 A483 M488 | L437-L486 HydrophobicContact CD2-CD1 4.05Å; C482-L486 WeakPolarHBondContact O-CB 3.29Å; C482-L486 WeakPolarHBondContact O-CG 3.26Å; C482-L486 PolarHBondContact O-N 2.87Å; A483-L486 PolarHBondContact O-N 3.34Å; L486-M488 HydrophobicContact CB-CE 4.36Å; L486-M488 HydrophobicContact CB-CG 4.08Å; L486-M488 HydrophobicContact CB-SD 4.45Å; L486-M488 HydrophobicContact CD1-CE 4.09Å; L486-M488 HydrophobicContact CD1-SD 4.45Å; L486-M488 PolarHBondContact O-N 2.94Å |
| 487 | G | 86.9 | Confident | 90.6 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 17.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A483 K484 R485 R489 | A483-G487 PolarHBondContact O-N 3.44Å; A483-G487 VanDerWaalsContact O-N 3.08Å; K484-G487 PolarHBondContact O-N 2.64Å; R485-G487 VanDerWaalsContact C-N 3.31Å; G487-R489 PolarHBondContact O-N 2.89Å |
| 488 | M | 91.1 | Very high | 90.7 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 22% | 0.217 | 21% | 0.205 | C | C | . | . | trans | -78.5 | 82.7 | 177.9 | -68.5 | -173.7 | -178 | 0 | 0 | 110.2 | L437 N441 A483 L486 W490 A491 H492 | L437-M488 HydrophobicContact CD1-SD 4.49Å; L437-M488 HydrophobicContact CD2-CE 3.99Å; L437-M488 HydrophobicContact CD2-SD 3.47Å; L437-M488 WeakPolarHBondContact CD2-SD 3.43Å; L437-M488 HydrophobicContact CG-SD 3.84Å; N441-M488 WeakPolarHBondContact OD1-CB 3.13Å; A483-M488 HydrophobicContact CB-CB 4.25Å; A483-M488 PolarHBondContact O-N 3.1Å; L486-M488 HydrophobicContact CB-CE 4.36Å; L486-M488 HydrophobicContact CB-CG 4.08Å; L486-M488 HydrophobicContact CB-SD 4.45Å; L486-M488 HydrophobicContact CD1-CE 4.09Å; L486-M488 HydrophobicContact CD1-SD 4.45Å; L486-M488 PolarHBondContact O-N 2.94Å; M488-W490 PolarHBondContact O-N 2.83Å; M488-A491 HydrophobicContact CB-CB 4.1Å; M488-A491 PolarHBondContact O-N 3.11Å; M488-H492 WeakPolarHBondContact O-CB 3.16Å; M488-H492 PolarHBondContact O-N 3.42Å | ||
| 489 | R | 90.8 | Very high | 90.9 | Very high | 153 Ų | 153 | 39.3 Ų | 39.3 | 58% | 0.577 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.9 | -37.4 | -169.6 | -60.1 | -172.2 | -174.8 | 176.4 | 3.4 | 113.6 | G487 R493 V522 G523 V524 | G487-R489 PolarHBondContact O-N 2.89Å; R489-R493 PolarHBondContact O-N 2.7Å; R489-V522 HydrophobicContact CB-CG1 3.77Å; R489-V522 HydrophobicContact CG-CG1 4.31Å; R489-V522 WeakPolarHBondContact O-CG1 3.28Å; R489-G523 WeakPolarHBondContact CD-O 3.08Å; R489-G523 PolarHBondContact NH1-O 2.69Å; R489-V524 HydrophobicContact CB-CG1 3.45Å; R489-V524 VanDerWaalsContact CB-CG1 3.45Å |
| 490 | W | 91.2 | Very high | 91.1 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.8 | -44.5 | 179 | -81.8 | 106.9 | 0 | 0 | 0 | 112.3 | L440 E443 M488 H492 R493 R494 V524 N525 S528 D529 L532 | L440-W490 CarbonylContact O-C 3.56Å; L440-W490 VanDerWaalsContact O-C 3.29Å; E443-W490 WeakPolarHBondContact O-CZ2 3.3Å; M488-W490 PolarHBondContact O-N 2.83Å; W490-H492 VanDerWaalsContact C-N 3.3Å; W490-H492 PolarHBondContact O-N 3.27Å; W490-R493 PolarHBondContact O-N 3.02Å; W490-R494 PolarHBondContact O-N 2.63Å; W490-V524 HydrophobicContact CD2-CB 4.42Å; W490-V524 HydrophobicContact CD2-CG1 4.31Å; W490-V524 HydrophobicContact CD2-CG2 4.49Å; W490-V524 HydrophobicContact CE3-CG2 4.49Å; W490-V524 HydrophobicContact CG-CG1 4.42Å; W490-V524 HydrophobicContact CH2-CB 4.34Å; W490-V524 HydrophobicContact CH2-CG2 3.95Å; W490-V524 HydrophobicContact CZ2-CB 3.77Å; W490-V524 HydrophobicContact CZ2-CG1 4.47Å; W490-V524 HydrophobicContact CZ2-CG2 3.91Å; W490-V524 HydrophobicContact CZ3-CG2 4.25Å; W490-N525 WeakPolarHBondContact CH2-O 3.41Å; W490-N525 WeakPolarHBondContact CZ2-O 3.37Å; W490-S528 WeakPolarHBondContact CH2-OG 3.28Å; W490-S528 WeakPolarHBondContact CZ2-OG 3.46Å; W490-D529 HydrophobicContact CH2-CB 3.95Å; W490-D529 HydrophobicContact CZ3-CB 3.71Å; W490-L532 HydrophobicContact CZ3-CD2 4.13Å |
| 491 | A | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L440 N441 A483 M488 A495 | L440-A491 HydrophobicContact CB-CB 4.09Å; L440-A491 WeakPolarHBondContact O-CA 3.38Å; L440-A491 PolarHBondContact O-N 3.02Å; N441-A491 HydrophobicContact CB-CB 3.9Å; N441-A491 PolarHBondContact OD1-N 2.73Å; A483-A491 HydrophobicContact CB-CB 3.8Å; M488-A491 HydrophobicContact CB-CB 4.1Å; M488-A491 PolarHBondContact O-N 3.11Å; A491-A495 WeakPolarHBondContact O-CB 3.34Å; A491-A495 PolarHBondContact O-N 3.17Å |
| 492 | H | 92.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 175.8 | -176.7 | -168.6 | 0 | 0 | 0 | 111.5 | A483 M488 W490 R494 A495 C496 E518 | A483-H492 HydrophobicContact CB-CB 4Å; M488-H492 WeakPolarHBondContact O-CB 3.16Å; M488-H492 PolarHBondContact O-N 3.42Å; W490-H492 VanDerWaalsContact C-N 3.3Å; W490-H492 PolarHBondContact O-N 3.27Å; H492-R494 PolarHBondContact O-N 3Å; H492-A495 PolarHBondContact O-N 2.88Å; H492-C496 VanDerWaalsContact CD2-SG 3.51Å; H492-C496 WeakPolarHBondContact O-CB 3.4Å; H492-C496 PolarHBondContact O-N 3.03Å; H492-C496 PolarHBondContact O-SG 3.19Å; H492-E518 IonicContact CE1-OE1 3.25Å; H492-E518 IonicContact NE2-OE1 3.45Å; H492-E518 PolarHBondContact NE2-OE1 3.23Å |
| 493 | R | 92.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 179.7 | -174.3 | 168 | -177.1 | 161.5 | 1.3 | 112.3 | D247 R489 W490 F497 A519 V522 V524 L532 L536 | D247-R493 IonicContact OD1-NH1 3.77Å; D247-R493 IonicContact OD2-NH2 3.66Å; R489-R493 PolarHBondContact O-N 2.7Å; W490-R493 PolarHBondContact O-N 3.02Å; R493-F497 PolarHBondContact O-N 3.07Å; R493-A519 HydrophobicContact CG-CB 4.19Å; R493-A519 WeakPolarHBondContact CG-O 3.25Å; R493-V522 HydrophobicContact CB-CB 4.39Å; R493-V524 VanDerWaalsContact CD-CG2 3.42Å; R493-L532 HydrophobicContact CG-CD2 4.25Å; R493-L536 HydrophobicContact CG-CD1 4.22Å |
| 494 | R | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70 | -40 | 179.9 | -68.7 | -172.9 | -176.4 | 108.2 | -3.4 | 112.7 | L440 H442 Y453 W490 H492 F497 V498 D529 L532 | L440-R494 HydrophobicContact CB-CB 4.3Å; L440-R494 HydrophobicContact CD2-CB 3.99Å; L440-R494 PolarHBondContact O-NH1 3.27Å; H442-R494 VanDerWaalsContact O-CZ 3.29Å; H442-R494 PolarHBondContact O-NH1 3.18Å; H442-R494 PolarHBondContact O-NH2 3.16Å; Y453-R494 WeakPolarHBondContact OH-CD 3.35Å; Y453-R494 PolarHBondContact OH-NE 3.26Å; W490-R494 PolarHBondContact O-N 2.63Å; H492-R494 PolarHBondContact O-N 3Å; R494-F497 WeakPolarHBondContact O-CB 3.44Å; R494-F497 PolarHBondContact O-N 3.25Å; R494-V498 WeakPolarHBondContact O-CG2 3.46Å; R494-V498 PolarHBondContact O-N 3.03Å; R494-D529 IonicContact CZ-OD2 3.05Å; R494-D529 IonicContact NE-OD2 3.64Å; R494-D529 PolarHBondContact NE-OD2 3.49Å; R494-D529 IonicContact NH2-OD2 2.91Å; R494-D529 PolarHBondContact NH2-OD2 3.22Å; R494-L532 HydrophobicContact CG-CD2 3.69Å |
| 495 | A | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L440 V479 R480 A491 H492 F497 V498 L499 | L440-A495 HydrophobicContact CD1-CB 4.37Å; V479-A495 HydrophobicContact CG1-CB 4.26Å; R480-A495 HydrophobicContact CB-CB 4.05Å; A491-A495 WeakPolarHBondContact O-CB 3.34Å; A491-A495 PolarHBondContact O-N 3.17Å; H492-A495 PolarHBondContact O-N 2.88Å; A495-F497 VanDerWaalsContact C-N 3.33Å; A495-F497 PolarHBondContact O-N 2.92Å; A495-V498 PolarHBondContact O-N 3.41Å; A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 WeakPolarHBondContact O-CG 3.31Å; A495-L499 PolarHBondContact O-N 3.21Å |
| 496 | C | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 172.6 | -77.9 | 0 | 0 | 0 | 0 | 112.1 | R480 H492 G500 Y515 A519 | R480-C496 WeakPolarHBondContact CD-SG 3.41Å; H492-C496 VanDerWaalsContact CD2-SG 3.51Å; H492-C496 WeakPolarHBondContact O-CB 3.4Å; H492-C496 PolarHBondContact O-N 3.03Å; H492-C496 PolarHBondContact O-SG 3.19Å; C496-G500 PolarHBondContact O-N 3.2Å; C496-Y515 WeakPolarHBondContact CB-O 3.44Å; C496-Y515 WeakPolarHBondContact O-CB 3.3Å; C496-A519 HydrophobicContact CB-CB 3.72Å |
| 497 | F | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -50.3 | 176.7 | 173.1 | -99.5 | 0 | 0 | 0 | 112.5 | Y453 R493 R494 A495 L499 G500 R501 Y516 L532 A535 L536 | Y453-F497 AromaticContact CD1-CD1 3.99Å; Y453-F497 HydrophobicContact CD1-CD1 3.99Å; Y453-F497 AromaticContact CD1-CE1 3.57Å; Y453-F497 HydrophobicContact CD1-CE1 3.57Å; Y453-F497 HydrophobicContact CD1-CZ 4.31Å; Y453-F497 HydrophobicContact CE1-CD1 4.15Å; Y453-F497 HydrophobicContact CE1-CE1 4.19Å; R493-F497 PolarHBondContact O-N 3.07Å; R494-F497 WeakPolarHBondContact O-CB 3.44Å; R494-F497 PolarHBondContact O-N 3.25Å; A495-F497 VanDerWaalsContact C-N 3.33Å; A495-F497 PolarHBondContact O-N 2.92Å; F497-L499 PolarHBondContact O-N 3.32Å; F497-G500 WeakPolarHBondContact O-CA 3.16Å; F497-G500 PolarHBondContact O-N 3.2Å; F497-G500 VanDerWaalsContact O-N 3.13Å; F497-R501 HydrophobicContact CD1-CG 4.49Å; F497-R501 VanDerWaalsContact CE1-CD 3.5Å; F497-R501 HydrophobicContact CE1-CG 3.92Å; F497-R501 HydrophobicContact CE2-CG 4.16Å; F497-R501 HydrophobicContact CZ-CG 3.77Å; F497-R501 PolarHBondContact O-N 3.31Å; F497-Y516 HydrophobicContact CD2-CD1 4.23Å; F497-Y516 AromaticContact CD2-CE1 3.83Å; F497-Y516 HydrophobicContact CD2-CE1 3.83Å; F497-Y516 HydrophobicContact CE2-CE1 4.21Å; F497-Y516 WeakPolarHBondContact O-CE1 3.49Å; F497-L532 HydrophobicContact CB-CD1 3.82Å; F497-L532 HydrophobicContact CD1-CD1 3.81Å; F497-L532 HydrophobicContact CD2-CD1 4.06Å; F497-L532 HydrophobicContact CE1-CD1 4.44Å; F497-L532 HydrophobicContact CG-CD1 3.59Å; F497-A535 HydrophobicContact CE2-CB 3.55Å; F497-A535 HydrophobicContact CZ-CB 3.44Å; F497-A535 VanDerWaalsContact CZ-CB 3.44Å; F497-L536 HydrophobicContact CB-CD2 4.12Å; F497-L536 HydrophobicContact CD2-CD2 3.6Å; F497-L536 HydrophobicContact CD2-CG 3.74Å; F497-L536 HydrophobicContact CE2-CG 4.42Å; F497-L536 HydrophobicContact CG-CD2 4.31Å; F497-L536 HydrophobicContact CG-CG 4.46Å |
| 498 | V | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | L452 F459 L476 R494 A495 G500 R501 L502 | L452-V498 HydrophobicContact CD2-CG2 4.21Å; F459-V498 HydrophobicContact CD2-CG1 3.82Å; F459-V498 HydrophobicContact CE2-CG1 3.43Å; F459-V498 VanDerWaalsContact CE2-CG1 3.43Å; F459-V498 HydrophobicContact CZ-CG1 3.9Å; L476-V498 HydrophobicContact CD1-CB 4.2Å; L476-V498 HydrophobicContact CD1-CG1 3.53Å; R494-V498 WeakPolarHBondContact O-CG2 3.46Å; R494-V498 PolarHBondContact O-N 3.03Å; A495-V498 PolarHBondContact O-N 3.41Å; V498-G500 VanDerWaalsContact C-N 3.33Å; V498-G500 PolarHBondContact O-N 3.35Å; V498-R501 WeakPolarHBondContact O-CB 3.29Å; V498-R501 PolarHBondContact O-N 2.88Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.09Å |
| 499 | L | 91.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 172 | -77.4 | 171.6 | 0 | 0 | 0 | 112.3 | L476 E477 R480 A495 F497 R501 L502 C503 Y515 | L476-L499 HydrophobicContact CB-CD1 4.32Å; L476-L499 HydrophobicContact CB-CD2 3.53Å; L476-L499 HydrophobicContact CB-CG 3.75Å; L476-L499 HydrophobicContact CD1-CD2 4.37Å; E477-L499 HydrophobicContact CG-CD1 3.95Å; E477-L499 HydrophobicContact CG-CD2 3.9Å; R480-L499 HydrophobicContact CB-CD1 4.16Å; A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 WeakPolarHBondContact O-CG 3.31Å; A495-L499 PolarHBondContact O-N 3.21Å; F497-L499 PolarHBondContact O-N 3.32Å; L499-R501 VanDerWaalsContact C-N 3.32Å; L499-R501 PolarHBondContact O-N 3.31Å; L499-L502 PolarHBondContact O-N 3.22Å; L499-C503 WeakPolarHBondContact O-CB 3.42Å; L499-C503 PolarHBondContact O-N 2.88Å; L499-C503 PolarHBondContact O-SG 2.87Å; L499-Y515 HydrophobicContact CB-CD2 3.8Å; L499-Y515 HydrophobicContact CB-CE2 3.98Å; L499-Y515 HydrophobicContact CB-CG 4.17Å; L499-Y515 HydrophobicContact CD1-CE1 4.5Å |
| 500 | G | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | C496 F497 V498 C503 A504 A512 Y516 | C496-G500 PolarHBondContact O-N 3.2Å; F497-G500 WeakPolarHBondContact O-CA 3.16Å; F497-G500 PolarHBondContact O-N 3.2Å; F497-G500 VanDerWaalsContact O-N 3.13Å; V498-G500 VanDerWaalsContact C-N 3.33Å; V498-G500 PolarHBondContact O-N 3.35Å; G500-C503 PolarHBondContact O-N 3.04Å; G500-A504 WeakPolarHBondContact O-CB 3.43Å; G500-A504 PolarHBondContact O-N 3.45Å; G500-A512 VanDerWaalsContact O-CB 3.29Å; G500-A512 WeakPolarHBondContact O-CB 3.25Å; G500-Y516 VanDerWaalsContact C-CZ 3.46Å; G500-Y516 VanDerWaalsContact C-OH 3.22Å; G500-Y516 PolarHBondContact O-OH 2.64Å |
| 501 | R | 89.6 | Confident | 91.1 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.8 | -73.3 | -161.3 | 74.1 | -172.5 | -141.2 | 112.9 | L452 D454 C457 F497 V498 L499 C503 A504 R505 Y516 | L452-R501 PolarHBondContact O-NH2 2.85Å; D454-R501 PolarHBondContact O-NH1 3.33Å; D454-R501 PolarHBondContact O-NH2 3.01Å; D454-R501 IonicContact OD1-NH2 3.16Å; C457-R501 PolarHBondContact SG-NH1 3.07Å; F497-R501 HydrophobicContact CD1-CG 4.49Å; F497-R501 VanDerWaalsContact CE1-CD 3.5Å; F497-R501 HydrophobicContact CE1-CG 3.92Å; F497-R501 HydrophobicContact CE2-CG 4.16Å; F497-R501 HydrophobicContact CZ-CG 3.77Å; F497-R501 PolarHBondContact O-N 3.31Å; V498-R501 WeakPolarHBondContact O-CB 3.29Å; V498-R501 PolarHBondContact O-N 2.88Å; L499-R501 VanDerWaalsContact C-N 3.32Å; L499-R501 PolarHBondContact O-N 3.31Å; R501-C503 VanDerWaalsContact C-N 3.29Å; R501-C503 PolarHBondContact O-N 2.86Å; R501-A504 PolarHBondContact O-N 2.78Å; R501-R505 WeakPolarHBondContact O-CB 3.38Å; R501-R505 PolarHBondContact O-N 3.43Å; R501-Y516 VanDerWaalsContact CA-OH 3.31Å; R501-Y516 WeakPolarHBondContact CA-OH 3.46Å; R501-Y516 PolarHBondContact N-OH 2.74Å; R501-Y516 VanDerWaalsContact N-OH 3.15Å |
| 502 | L | 89.5 | Confident | 91.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.4 | -72.3 | 174.7 | 0 | 0 | 0 | 111.2 | F459 L460 L472 L476 V498 L499 R505 K506 | F459-L502 HydrophobicContact CE2-CD2 4.01Å; F459-L502 HydrophobicContact CE2-CG 4.25Å; F459-L502 HydrophobicContact CZ-CD2 3.88Å; F459-L502 HydrophobicContact CZ-CG 4.16Å; L460-L502 HydrophobicContact CD2-CD2 3.75Å; L472-L502 HydrophobicContact CD2-CD1 4.12Å; L472-L502 HydrophobicContact CD2-CD2 4.44Å; L472-L502 HydrophobicContact CG-CD1 4.11Å; L476-L502 HydrophobicContact CD1-CD1 3.69Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.09Å; L499-L502 PolarHBondContact O-N 3.22Å; L502-R505 PolarHBondContact O-N 3.04Å; L502-K506 WeakPolarHBondContact O-CG 3.36Å; L502-K506 PolarHBondContact O-N 3.13Å |
| 503 | C | 90.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 176.4 | -70 | 0 | 0 | 0 | 0 | 112.1 | L499 G500 R501 R505 K506 L507 K508 Q511 A512 | L499-C503 WeakPolarHBondContact O-CB 3.42Å; L499-C503 PolarHBondContact O-N 2.88Å; L499-C503 PolarHBondContact O-SG 2.87Å; G500-C503 PolarHBondContact O-N 3.04Å; R501-C503 VanDerWaalsContact C-N 3.29Å; R501-C503 PolarHBondContact O-N 2.86Å; C503-R505 VanDerWaalsContact C-N 3.35Å; C503-K506 CarbonylContact O-C 3.52Å; C503-K506 PolarHBondContact O-N 2.67Å; C503-L507 PolarHBondContact O-N 3.31Å; C503-K508 HydrophobicContact CB-CB 4.28Å; C503-K508 WeakPolarHBondContact O-CA 3.28Å; C503-K508 PolarHBondContact O-N 3.18Å; C503-Q511 HydrophobicContact CB-CB 4.45Å; C503-A512 HydrophobicContact CB-CB 3.74Å |
| 504 | A | 88.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G500 R501 K506 L507 A512 | G500-A504 WeakPolarHBondContact O-CB 3.43Å; G500-A504 PolarHBondContact O-N 3.45Å; R501-A504 PolarHBondContact O-N 2.78Å; A504-K506 VanDerWaalsContact C-N 3.34Å; A504-K506 PolarHBondContact O-N 3.32Å; A504-L507 WeakPolarHBondContact O-CA 3.42Å; A504-L507 PolarHBondContact O-N 3.49Å; A504-A512 HydrophobicContact CB-CB 4.02Å |
| 505 | R | 86.3 | Confident | 91.5 | Very high | 139 Ų | 139 | 39.7 Ų | 39.7 | 53% | 0.525 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 173.9 | -176.4 | 179.9 | 167.5 | 83.9 | 1.1 | 112.1 | E469 R501 L502 C503 L507 | E469-R505 IonicContact OE1-CZ 3.67Å; E469-R505 IonicContact OE1-NE 2.59Å; E469-R505 PolarHBondContact OE1-NE 3.06Å; E469-R505 IonicContact OE1-NH2 2.69Å; R501-R505 WeakPolarHBondContact O-CB 3.38Å; R501-R505 PolarHBondContact O-N 3.43Å; L502-R505 PolarHBondContact O-N 3.04Å; C503-R505 VanDerWaalsContact C-N 3.35Å; R505-L507 PolarHBondContact O-N 3.24Å |
| 506 | K | 88.5 | Confident | 91.6 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 9.8 | 172.1 | -66.4 | 179.5 | -176.8 | 176.4 | 0 | 113.8 | E469 D470 S473 L502 C503 A504 K508 | E469-K506 PolarHBondContact O-NZ 2.89Å; E469-K506 WeakPolarHBondContact OE2-CE 3.5Å; D470-K506 IonicContact OD1-NZ 3.88Å; D470-K506 PolarHBondContact OD1-NZ 2.81Å; S473-K506 PolarHBondContact OG-NZ 3.14Å; L502-K506 WeakPolarHBondContact O-CG 3.36Å; L502-K506 PolarHBondContact O-N 3.13Å; C503-K506 CarbonylContact O-C 3.52Å; C503-K506 PolarHBondContact O-N 2.67Å; A504-K506 VanDerWaalsContact C-N 3.34Å; A504-K506 PolarHBondContact O-N 3.32Å; K506-K508 HydrophobicContact CB-CG 4.41Å; K506-K508 PolarHBondContact O-N 3.12Å; K506-K508 VanDerWaalsContact O-N 3.16Å |
| 507 | L | 88.8 | Confident | 91.6 | Very high | 129 Ų | 129 | 42 Ų | 42 | 68% | 0.675 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.4 | -177.6 | -53.8 | 173.8 | 0 | 0 | 0 | 114.8 | C503 A504 R505 F509 | C503-L507 PolarHBondContact O-N 3.31Å; A504-L507 WeakPolarHBondContact O-CA 3.42Å; A504-L507 PolarHBondContact O-N 3.49Å; R505-L507 PolarHBondContact O-N 3.24Å; L507-F509 VanDerWaalsContact C-N 3.32Å; L507-F509 HydrophobicContact CB-CE2 4.25Å; L507-F509 HydrophobicContact CB-CZ 4.3Å; L507-F509 HydrophobicContact CD2-CE1 4.43Å; L507-F509 HydrophobicContact CD2-CE2 4.19Å; L507-F509 HydrophobicContact CD2-CZ 3.6Å; L507-F509 WeakPolarHBondContact O-CD2 3.26Å; L507-F509 PolarHBondContact O-N 3.24Å; L507-F509 VanDerWaalsContact O-N 3.13Å |
| 508 | K | 91.8 | Very high | 91.6 | Very high | 111 Ų | 111 | 43.2 Ų | 43.2 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | trans | -86.8 | 65 | 175.9 | -65.1 | -178.5 | 179.9 | 179.3 | 0 | 110.9 | C503 K506 S510 Q511 A512 | C503-K508 HydrophobicContact CB-CB 4.28Å; C503-K508 WeakPolarHBondContact O-CA 3.28Å; C503-K508 PolarHBondContact O-N 3.18Å; K506-K508 HydrophobicContact CB-CG 4.41Å; K506-K508 PolarHBondContact O-N 3.12Å; K506-K508 VanDerWaalsContact O-N 3.16Å; K508-S510 VanDerWaalsContact C-N 3.34Å; K508-S510 PolarHBondContact O-N 2.92Å; K508-Q511 HydrophobicContact CB-CB 4.31Å; K508-Q511 PolarHBondContact O-N 3.44Å; K508-A512 PolarHBondContact O-N 3.23Å | ||
| 509 | F | 90.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 43.2 Ų | 43.2 | 24% | 0.237 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -34.5 | -171 | -58.9 | -60.8 | 0 | 0 | 0 | 114.7 | L507 R513 I543 K546 Q547 | L507-F509 VanDerWaalsContact C-N 3.32Å; L507-F509 HydrophobicContact CB-CE2 4.25Å; L507-F509 HydrophobicContact CB-CZ 4.3Å; L507-F509 HydrophobicContact CD2-CE1 4.43Å; L507-F509 HydrophobicContact CD2-CE2 4.19Å; L507-F509 HydrophobicContact CD2-CZ 3.6Å; L507-F509 WeakPolarHBondContact O-CD2 3.26Å; L507-F509 PolarHBondContact O-N 3.24Å; L507-F509 VanDerWaalsContact O-N 3.13Å; F509-R513 WeakPolarHBondContact O-CB 3.46Å; F509-R513 PolarHBondContact O-N 3.41Å; F509-I543 HydrophobicContact CB-CG2 4.43Å; F509-I543 HydrophobicContact CD1-CG1 4.34Å; F509-K546 HydrophobicContact CD1-CD 4.36Å; F509-K546 HydrophobicContact CE1-CD 3.98Å; F509-K546 HydrophobicContact CZ-CD 4.17Å; F509-Q547 VanDerWaalsContact C-NE2 3.34Å |
| 510 | S | 92.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 53% | 0.531 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | K508 R513 V514 Q547 | K508-S510 VanDerWaalsContact C-N 3.34Å; K508-S510 PolarHBondContact O-N 2.92Å; S510-R513 WeakPolarHBondContact O-CB 3.17Å; S510-V514 WeakPolarHBondContact O-CG2 3.2Å; S510-V514 PolarHBondContact O-N 3.33Å; S510-Q547 PolarHBondContact OG-NE2 3.07Å |
| 511 | Q | 92.5 | Very high | 91.4 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.9 | -42.1 | 177.7 | -167.3 | 169.8 | 8.9 | 0 | 0 | 110.8 | C503 K508 R513 V514 Y515 | C503-Q511 HydrophobicContact CB-CB 4.45Å; K508-Q511 HydrophobicContact CB-CB 4.31Å; K508-Q511 PolarHBondContact O-N 3.44Å; Q511-R513 VanDerWaalsContact C-N 3.31Å; Q511-R513 PolarHBondContact O-N 3.2Å; Q511-V514 PolarHBondContact O-N 3.24Å; Q511-Y515 HydrophobicContact CG-CD2 4.19Å; Q511-Y515 HydrophobicContact CG-CE2 3.67Å; Q511-Y515 PolarHBondContact NE2-OH 2.98Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.47Å; Q511-Y515 PolarHBondContact O-N 3.01Å; Q511-Y515 VanDerWaalsContact O-N 3.14Å |
| 512 | A | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G500 C503 A504 K508 V514 Y515 Y516 I543 | G500-A512 VanDerWaalsContact O-CB 3.29Å; G500-A512 WeakPolarHBondContact O-CB 3.25Å; C503-A512 HydrophobicContact CB-CB 3.74Å; A504-A512 HydrophobicContact CB-CB 4.02Å; K508-A512 PolarHBondContact O-N 3.23Å; A512-V514 PolarHBondContact O-N 3.05Å; A512-Y515 PolarHBondContact O-N 2.81Å; A512-Y516 HydrophobicContact CB-CE2 4.31Å; A512-Y516 VanDerWaalsContact O-CD2 3.29Å; A512-Y516 WeakPolarHBondContact O-CD2 3.45Å; A512-Y516 PolarHBondContact O-N 3.32Å; A512-I543 HydrophobicContact CB-CD1 3.53Å |
| 513 | R | 94.1 | Very high | 91 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.1 | -50.2 | 175 | -172.3 | -176.9 | 70.4 | -169.3 | 8.7 | 111.7 | F509 S510 Q511 Y515 Y516 E517 L540 I543 Y544 | F509-R513 WeakPolarHBondContact O-CB 3.46Å; F509-R513 PolarHBondContact O-N 3.41Å; S510-R513 WeakPolarHBondContact O-CB 3.17Å; Q511-R513 VanDerWaalsContact C-N 3.31Å; Q511-R513 PolarHBondContact O-N 3.2Å; R513-Y515 VanDerWaalsContact C-N 3.31Å; R513-Y515 PolarHBondContact O-N 2.79Å; R513-Y516 PolarHBondContact O-N 2.95Å; R513-E517 HydrophobicContact CG-CG 4.28Å; R513-E517 WeakPolarHBondContact O-CB 3.35Å; R513-E517 WeakPolarHBondContact O-CG 3.21Å; R513-E517 PolarHBondContact O-N 3.01Å; R513-L540 HydrophobicContact CG-CD1 4.13Å; R513-I543 HydrophobicContact CB-CG2 3.91Å; R513-I543 HydrophobicContact CG-CG2 4.31Å; R513-Y544 HydrophobicContact CG-CD1 4.39Å; R513-Y544 HydrophobicContact CG-CE1 3.84Å |
| 514 | V | 94.8 | Very high | 90.8 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | -177.8 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | S510 Q511 A512 E517 E518 | S510-V514 WeakPolarHBondContact O-CG2 3.2Å; S510-V514 PolarHBondContact O-N 3.33Å; Q511-V514 PolarHBondContact O-N 3.24Å; A512-V514 PolarHBondContact O-N 3.05Å; V514-E517 PolarHBondContact O-N 2.97Å; V514-E518 VanDerWaalsContact O-CB 3.3Å; V514-E518 WeakPolarHBondContact O-CB 3.3Å; V514-E518 PolarHBondContact O-N 2.95Å |
| 515 | Y | 95.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 178.4 | -68.4 | -39.5 | 0 | 0 | 0 | 113.2 | E477 C496 L499 Q511 A512 R513 A519 | E477-Y515 PolarHBondContact OE1-OH 3.47Å; C496-Y515 WeakPolarHBondContact CB-O 3.44Å; C496-Y515 WeakPolarHBondContact O-CB 3.3Å; L499-Y515 HydrophobicContact CB-CD2 3.8Å; L499-Y515 HydrophobicContact CB-CE2 3.98Å; L499-Y515 HydrophobicContact CB-CG 4.17Å; L499-Y515 HydrophobicContact CD1-CE1 4.5Å; Q511-Y515 HydrophobicContact CG-CD2 4.19Å; Q511-Y515 HydrophobicContact CG-CE2 3.67Å; Q511-Y515 PolarHBondContact NE2-OH 2.98Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.47Å; Q511-Y515 PolarHBondContact O-N 3.01Å; Q511-Y515 VanDerWaalsContact O-N 3.14Å; A512-Y515 PolarHBondContact O-N 2.81Å; R513-Y515 VanDerWaalsContact C-N 3.31Å; R513-Y515 PolarHBondContact O-N 2.79Å; Y515-A519 WeakPolarHBondContact O-CB 3.47Å; Y515-A519 PolarHBondContact O-N 3.04Å |
| 516 | Y | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 175.4 | -64.3 | -35.9 | 0 | 0 | 0 | 113.4 | F497 G500 R501 A512 R513 E518 A519 L520 L536 N539 I543 | F497-Y516 HydrophobicContact CD2-CD1 4.23Å; F497-Y516 AromaticContact CD2-CE1 3.83Å; F497-Y516 HydrophobicContact CD2-CE1 3.83Å; F497-Y516 HydrophobicContact CE2-CE1 4.21Å; F497-Y516 WeakPolarHBondContact O-CE1 3.49Å; G500-Y516 VanDerWaalsContact C-CZ 3.46Å; G500-Y516 VanDerWaalsContact C-OH 3.22Å; G500-Y516 PolarHBondContact O-OH 2.64Å; R501-Y516 VanDerWaalsContact CA-OH 3.31Å; R501-Y516 WeakPolarHBondContact CA-OH 3.46Å; R501-Y516 PolarHBondContact N-OH 2.74Å; R501-Y516 VanDerWaalsContact N-OH 3.15Å; A512-Y516 HydrophobicContact CB-CE2 4.31Å; A512-Y516 VanDerWaalsContact O-CD2 3.29Å; A512-Y516 WeakPolarHBondContact O-CD2 3.45Å; A512-Y516 PolarHBondContact O-N 3.32Å; R513-Y516 PolarHBondContact O-N 2.95Å; Y516-E518 VanDerWaalsContact C-N 3.3Å; Y516-E518 PolarHBondContact O-N 3.3Å; Y516-A519 PolarHBondContact O-N 2.95Å; Y516-L520 PolarHBondContact O-N 3.4Å; Y516-L520 VanDerWaalsContact O-N 3.08Å; Y516-L536 HydrophobicContact CD1-CD2 3.93Å; Y516-N539 HydrophobicContact CD2-CB 4.33Å; Y516-N539 HydrophobicContact CE1-CB 4.5Å; Y516-N539 HydrophobicContact CE2-CB 3.66Å; Y516-I543 HydrophobicContact CD2-CD1 3.72Å; Y516-I543 HydrophobicContact CE2-CD1 3.49Å; Y516-I543 VanDerWaalsContact CE2-CD1 3.49Å |
| 517 | E | 92.8 | Very high | 90.4 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 173.8 | -73.8 | -178.2 | 153.5 | 0 | 0 | 110.7 | R513 V514 L520 S521 L540 Y544 K552 | R513-E517 HydrophobicContact CG-CG 4.28Å; R513-E517 WeakPolarHBondContact O-CB 3.35Å; R513-E517 WeakPolarHBondContact O-CG 3.21Å; R513-E517 PolarHBondContact O-N 3.01Å; V514-E517 PolarHBondContact O-N 2.97Å; E517-L520 PolarHBondContact O-N 3.46Å; E517-S521 PolarHBondContact O-N 3.02Å; E517-L540 HydrophobicContact CG-CD1 4.1Å; E517-L540 HydrophobicContact CG-CD2 4.4Å; E517-Y544 PolarHBondContact OE1-OH 3.47Å; E517-K552 IonicContact OE1-NZ 3.75Å; E517-K552 PolarHBondContact OE1-NZ 3.39Å; E517-K552 IonicContact OE2-NZ 3.14Å |
| 518 | E | 93.5 | Very high | 90.3 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.2 | -175.1 | 179.5 | 177.5 | 0 | 0 | 111.5 | R480 H492 V514 Y516 L520 S521 V522 | R480-E518 IonicContact CZ-OE1 3.26Å; R480-E518 IonicContact CZ-OE2 3.14Å; R480-E518 IonicContact NE-OE1 2.73Å; R480-E518 PolarHBondContact NE-OE1 3.11Å; R480-E518 VanDerWaalsContact NE-OE1 3.14Å; R480-E518 IonicContact NE-OE2 2.66Å; R480-E518 PolarHBondContact NE-OE2 3.48Å; R480-E518 VanDerWaalsContact NH2-CD 3.28Å; R480-E518 IonicContact NH2-OE1 2.77Å; R480-E518 PolarHBondContact NH2-OE1 3.09Å; R480-E518 VanDerWaalsContact NH2-OE1 3.16Å; R480-E518 IonicContact NH2-OE2 3.57Å; R480-E518 PolarHBondContact NH2-OE2 3.23Å; H492-E518 IonicContact CE1-OE1 3.25Å; H492-E518 IonicContact NE2-OE1 3.45Å; H492-E518 PolarHBondContact NE2-OE1 3.23Å; V514-E518 VanDerWaalsContact O-CB 3.3Å; V514-E518 WeakPolarHBondContact O-CB 3.3Å; V514-E518 PolarHBondContact O-N 2.95Å; Y516-E518 VanDerWaalsContact C-N 3.3Å; Y516-E518 PolarHBondContact O-N 3.3Å; E518-L520 VanDerWaalsContact C-N 3.29Å; E518-L520 PolarHBondContact O-N 3.25Å; E518-S521 WeakPolarHBondContact O-CB 3.03Å; E518-S521 PolarHBondContact O-N 3.39Å; E518-S521 PolarHBondContact O-OG 3.45Å; E518-V522 WeakPolarHBondContact O-CG2 3.42Å; E518-V522 PolarHBondContact O-N 3.09Å |
| 519 | A | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R493 C496 Y515 Y516 S521 V522 L536 | R493-A519 HydrophobicContact CG-CB 4.19Å; R493-A519 WeakPolarHBondContact CG-O 3.25Å; C496-A519 HydrophobicContact CB-CB 3.72Å; Y515-A519 WeakPolarHBondContact O-CB 3.47Å; Y515-A519 PolarHBondContact O-N 3.04Å; Y516-A519 PolarHBondContact O-N 2.95Å; A519-S521 VanDerWaalsContact C-N 3.33Å; A519-V522 PolarHBondContact O-N 2.77Å; A519-L536 HydrophobicContact CB-CD1 4.29Å; A519-L536 HydrophobicContact CB-CD2 3.6Å |
| 520 | L | 90.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.9 | -25.3 | 176.4 | -70.4 | 178.4 | 0 | 0 | 0 | 113.3 | Y516 E517 E518 V522 L536 F537 L540 | Y516-L520 PolarHBondContact O-N 3.4Å; Y516-L520 VanDerWaalsContact O-N 3.08Å; E517-L520 PolarHBondContact O-N 3.46Å; E518-L520 VanDerWaalsContact C-N 3.29Å; E518-L520 PolarHBondContact O-N 3.25Å; L520-V522 VanDerWaalsContact C-N 3.26Å; L520-V522 PolarHBondContact O-N 2.99Å; L520-L536 HydrophobicContact CD2-CB 4.12Å; L520-L536 HydrophobicContact CD2-CD1 4.16Å; L520-F537 HydrophobicContact CD1-CE1 4.29Å; L520-F537 HydrophobicContact CD1-CZ 4.49Å; L520-F537 HydrophobicContact CD2-CD2 4.5Å; L520-F537 HydrophobicContact CD2-CE2 4.07Å; L520-F537 HydrophobicContact CD2-CZ 4.18Å; L520-L540 HydrophobicContact CD1-CD2 3.5Å; L520-L540 VanDerWaalsContact CD1-CD2 3.5Å |
| 521 | S | 88.8 | Confident | 90 | Very high | 91 Ų | 91 | 33 Ų | 33 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -73.8 | -17 | 176.4 | 76.8 | 0 | 0 | 0 | 0 | 113.5 | E517 E518 A519 G523 | E517-S521 PolarHBondContact O-N 3.02Å; E518-S521 WeakPolarHBondContact O-CB 3.03Å; E518-S521 PolarHBondContact O-N 3.39Å; E518-S521 PolarHBondContact O-OG 3.45Å; A519-S521 VanDerWaalsContact C-N 3.33Å; S521-G523 PolarHBondContact O-N 3.19Å |
| 522 | V | 89.4 | Confident | 89.9 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -73.5 | 114.4 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110 | R489 R493 E518 A519 L520 V524 | R489-V522 HydrophobicContact CB-CG1 3.77Å; R489-V522 HydrophobicContact CG-CG1 4.31Å; R489-V522 WeakPolarHBondContact O-CG1 3.28Å; R493-V522 HydrophobicContact CB-CB 4.39Å; E518-V522 WeakPolarHBondContact O-CG2 3.42Å; E518-V522 PolarHBondContact O-N 3.09Å; A519-V522 PolarHBondContact O-N 2.77Å; L520-V522 VanDerWaalsContact C-N 3.26Å; L520-V522 PolarHBondContact O-N 2.99Å; V522-V524 HydrophobicContact CG1-CG1 4.28Å; V522-V524 PolarHBondContact O-N 3.48Å |
| 523 | G | 82.1 | Confident | 89.8 | Confident | 35 Ų | 35 | 29.5 Ų | 29.5 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | trans | -69.6 | 85.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R489 S521 | R489-G523 WeakPolarHBondContact CD-O 3.08Å; R489-G523 PolarHBondContact NH1-O 2.69Å; S521-G523 PolarHBondContact O-N 3.19Å | ||
| 524 | V | 85.1 | Confident | 89.6 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -126.2 | 160.7 | 168.9 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | R489 W490 R493 V522 G526 | R489-V524 HydrophobicContact CB-CG1 3.45Å; R489-V524 VanDerWaalsContact CB-CG1 3.45Å; W490-V524 HydrophobicContact CD2-CB 4.42Å; W490-V524 HydrophobicContact CD2-CG1 4.31Å; W490-V524 HydrophobicContact CD2-CG2 4.49Å; W490-V524 HydrophobicContact CE3-CG2 4.49Å; W490-V524 HydrophobicContact CG-CG1 4.42Å; W490-V524 HydrophobicContact CH2-CB 4.34Å; W490-V524 HydrophobicContact CH2-CG2 3.95Å; W490-V524 HydrophobicContact CZ2-CB 3.77Å; W490-V524 HydrophobicContact CZ2-CG1 4.47Å; W490-V524 HydrophobicContact CZ2-CG2 3.91Å; W490-V524 HydrophobicContact CZ3-CG2 4.25Å; R493-V524 VanDerWaalsContact CD-CG2 3.42Å; V522-V524 HydrophobicContact CG1-CG1 4.28Å; V522-V524 PolarHBondContact O-N 3.48Å; V524-G526 PolarHBondContact O-N 3.01Å; V524-G526 VanDerWaalsContact O-N 3.11Å |
| 525 | N | 83.9 | Confident | 89.4 | Confident | 82 Ų | 82 | 23.5 Ų | 23.5 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | trans | -74.5 | 94.7 | 172.7 | -179 | 15.3 | 0 | 0 | 0 | 109.7 | W490 F527 S528 | W490-N525 WeakPolarHBondContact CH2-O 3.41Å; W490-N525 WeakPolarHBondContact CZ2-O 3.37Å; N525-F527 PolarHBondContact O-N 2.7Å; N525-F527 VanDerWaalsContact O-N 3.14Å; N525-S528 PolarHBondContact O-N 2.95Å; N525-S528 VanDerWaalsContact O-N 3.13Å; N525-S528 PolarHBondContact O-OG 3.05Å | ||
| 526 | G | 82.5 | Confident | 89.2 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D247 V524 S528 D529 | D247-G526 VanDerWaalsContact OD1-CA 3.25Å; D247-G526 WeakPolarHBondContact OD1-CA 3.43Å; D247-G526 PolarHBondContact OD1-N 2.78Å; V524-G526 PolarHBondContact O-N 3.01Å; V524-G526 VanDerWaalsContact O-N 3.11Å; G526-S528 PolarHBondContact O-N 3.24Å; G526-D529 CarbonylContact O-C 3.58Å; G526-D529 PolarHBondContact O-N 3.01Å |
| 527 | F | 87.9 | Confident | 89.1 | Confident | 24 Ų | 24 | 23 Ų | 23 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -73.3 | -5.5 | 179.5 | -77.3 | -86 | 0 | 0 | 0 | 114.5 | D247 I271 S280 G281 F282 N525 D529 V530 L533 L563 | D247-F527 HydrophobicContact CB-CE2 4.27Å; D247-F527 WeakPolarHBondContact O-CE2 3.45Å; I271-F527 HydrophobicContact CG1-CE1 4.41Å; I271-F527 HydrophobicContact CG2-CD1 4.37Å; I271-F527 HydrophobicContact CG2-CE1 3.55Å; I271-F527 HydrophobicContact CG2-CZ 4.11Å; S280-F527 WeakPolarHBondContact O-CD2 3.18Å; G281-F527 VanDerWaalsContact CA-CE2 3.43Å; F282-F527 HydrophobicContact CD1-CZ 4.32Å; F282-F527 HydrophobicContact CD2-CE2 4.05Å; F282-F527 HydrophobicContact CD2-CZ 4.18Å; F282-F527 HydrophobicContact CE1-CZ 4.25Å; F282-F527 HydrophobicContact CE2-CE2 4.1Å; F282-F527 HydrophobicContact CE2-CZ 4.08Å; F282-F527 HydrophobicContact CG-CE2 4.49Å; F282-F527 HydrophobicContact CG-CZ 4.3Å; F282-F527 HydrophobicContact CZ-CZ 4.13Å; N525-F527 PolarHBondContact O-N 2.7Å; N525-F527 VanDerWaalsContact O-N 3.14Å; F527-D529 VanDerWaalsContact C-N 3.29Å; F527-V530 HydrophobicContact CD1-CG2 4.4Å; F527-V530 WeakPolarHBondContact O-CG2 3.4Å; F527-L533 HydrophobicContact CD1-CD2 4.21Å; F527-L533 HydrophobicContact CD2-CD2 4.07Å; F527-L533 HydrophobicContact CE1-CD2 4.1Å; F527-L533 HydrophobicContact CE2-CD2 3.93Å; F527-L533 HydrophobicContact CG-CD2 4.2Å; F527-L533 HydrophobicContact CZ-CD2 3.97Å; F527-L563 HydrophobicContact CE1-CD2 4.5Å |
| 528 | S | 88.1 | Confident | 89 | Confident | 26 Ų | 26 | 20.8 Ų | 20.8 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -79 | -12.8 | 169.4 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | E443 F445 W490 N525 G526 | E443-S528 WeakPolarHBondContact O-CB 3.46Å; E443-S528 PolarHBondContact O-OG 2.88Å; F445-S528 PolarHBondContact N-O 3.36Å; F445-S528 VanDerWaalsContact N-O 3.08Å; W490-S528 WeakPolarHBondContact CH2-OG 3.28Å; W490-S528 WeakPolarHBondContact CZ2-OG 3.46Å; N525-S528 PolarHBondContact O-N 2.95Å; N525-S528 VanDerWaalsContact O-N 3.13Å; N525-S528 PolarHBondContact O-OG 3.05Å; G526-S528 PolarHBondContact O-N 3.24Å |
| 529 | D | 89.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -137.6 | 73.1 | 172.6 | -166.7 | -19.2 | 0 | 0 | 0 | 109.6 | Y453 W490 R494 G526 F527 L532 L533 | Y453-D529 PolarHBondContact OH-OD2 3.12Å; Y453-D529 VanDerWaalsContact OH-OD2 3.08Å; W490-D529 HydrophobicContact CH2-CB 3.95Å; W490-D529 HydrophobicContact CZ3-CB 3.71Å; R494-D529 IonicContact CZ-OD2 3.05Å; R494-D529 IonicContact NE-OD2 3.64Å; R494-D529 PolarHBondContact NE-OD2 3.49Å; R494-D529 IonicContact NH2-OD2 2.91Å; R494-D529 PolarHBondContact NH2-OD2 3.22Å; G526-D529 CarbonylContact O-C 3.58Å; G526-D529 PolarHBondContact O-N 3.01Å; F527-D529 VanDerWaalsContact C-N 3.29Å; D529-L532 HydrophobicContact CB-CB 4.17Å; D529-L532 PolarHBondContact O-N 3.42Å; D529-L532 WeakPolarHBondContact OD1-CB 3.22Å; D529-L532 PolarHBondContact OD1-N 3.5Å; D529-L533 PolarHBondContact O-N 3.4Å |
| 530 | V | 88.7 | Confident | 88.8 | Confident | 48 Ų | 48 | 19.8 Ų | 19.8 | 29% | 0.291 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57.2 | -42.5 | -177.2 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | F527 L532 L533 V534 L567 | F527-V530 HydrophobicContact CD1-CG2 4.4Å; F527-V530 WeakPolarHBondContact O-CG2 3.4Å; V530-L532 PolarHBondContact O-N 3.11Å; V530-L533 WeakPolarHBondContact O-CB 3.5Å; V530-L533 PolarHBondContact O-N 3.4Å; V530-L533 VanDerWaalsContact O-N 3.13Å; V530-V534 HydrophobicContact CG1-CG2 4.06Å; V530-V534 WeakPolarHBondContact O-CB 3.44Å; V530-V534 VanDerWaalsContact O-CG2 3.24Å; V530-V534 WeakPolarHBondContact O-CG2 3.32Å; V530-V534 PolarHBondContact O-N 3.44Å; V530-L567 HydrophobicContact CG1-CD1 3.84Å |
| 531 | P | 89.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 18.5 Ų | 18.5 | 21% | 0.214 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 176.8 | -28 | 38.5 | 0 | 0 | 0 | 113.7 | F445 Y453 A535 M573 | F445-P531 HydrophobicContact CD2-CB 4.32Å; F445-P531 HydrophobicContact CD2-CG 3.79Å; F445-P531 HydrophobicContact CE2-CB 4.18Å; F445-P531 HydrophobicContact CE2-CG 3.79Å; F445-P531 HydrophobicContact CG-CG 4.29Å; F445-P531 HydrophobicContact CZ-CG 4.29Å; Y453-P531 HydrophobicContact CD2-CB 3.81Å; Y453-P531 HydrophobicContact CE2-CB 4.38Å; P531-A535 WeakPolarHBondContact O-CB 3.29Å; P531-A535 PolarHBondContact O-N 3.23Å; P531-M573 HydrophobicContact CB-CE 4.3Å |
| 532 | L | 90.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.8 | 176.5 | 62.9 | 0 | 0 | 0 | 111.8 | Y453 W490 R493 R494 F497 D529 V530 A535 L536 | Y453-L532 HydrophobicContact CD1-CD1 4.15Å; Y453-L532 HydrophobicContact CE1-CB 4.09Å; Y453-L532 HydrophobicContact CE1-CD1 3.59Å; Y453-L532 HydrophobicContact CE1-CG 4.33Å; Y453-L532 HydrophobicContact CE2-CB 3.94Å; W490-L532 HydrophobicContact CZ3-CD2 4.13Å; R493-L532 HydrophobicContact CG-CD2 4.25Å; R494-L532 HydrophobicContact CG-CD2 3.69Å; F497-L532 HydrophobicContact CB-CD1 3.82Å; F497-L532 HydrophobicContact CD1-CD1 3.81Å; F497-L532 HydrophobicContact CD2-CD1 4.06Å; F497-L532 HydrophobicContact CE1-CD1 4.44Å; F497-L532 HydrophobicContact CG-CD1 3.59Å; D529-L532 HydrophobicContact CB-CB 4.17Å; D529-L532 PolarHBondContact O-N 3.42Å; D529-L532 WeakPolarHBondContact OD1-CB 3.22Å; D529-L532 PolarHBondContact OD1-N 3.5Å; V530-L532 PolarHBondContact O-N 3.11Å; L532-A535 PolarHBondContact O-N 3.37Å; L532-L536 HydrophobicContact CD1-CD1 4.05Å; L532-L536 HydrophobicContact CD1-CG 4.2Å; L532-L536 HydrophobicContact CG-CD1 3.96Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 WeakPolarHBondContact O-CG 3.18Å; L532-L536 PolarHBondContact O-N 3.43Å |
| 533 | L | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 178.9 | -168.7 | 66.5 | 0 | 0 | 0 | 111.2 | F527 D529 V530 L536 F537 L563 | F527-L533 HydrophobicContact CD1-CD2 4.21Å; F527-L533 HydrophobicContact CD2-CD2 4.07Å; F527-L533 HydrophobicContact CE1-CD2 4.1Å; F527-L533 HydrophobicContact CE2-CD2 3.93Å; F527-L533 HydrophobicContact CG-CD2 4.2Å; F527-L533 HydrophobicContact CZ-CD2 3.97Å; D529-L533 PolarHBondContact O-N 3.4Å; V530-L533 WeakPolarHBondContact O-CB 3.5Å; V530-L533 PolarHBondContact O-N 3.4Å; V530-L533 VanDerWaalsContact O-N 3.13Å; L533-L536 PolarHBondContact O-N 3.37Å; L533-F537 HydrophobicContact CD1-CD2 3.93Å; L533-F537 HydrophobicContact CD1-CE2 3.59Å; L533-F537 HydrophobicContact CG-CD2 4.02Å; L533-F537 HydrophobicContact CG-CE2 4.06Å; L533-F537 WeakPolarHBondContact O-CD2 3.44Å; L533-F537 PolarHBondContact O-N 2.97Å; L533-F537 VanDerWaalsContact O-N 3.07Å; L533-L563 HydrophobicContact CD2-CD1 4.5Å; L533-L563 HydrophobicContact CD2-CD2 4.3Å; L533-L563 HydrophobicContact CG-CD1 4.16Å |
| 534 | V | 89.9 | Confident | 89.3 | Confident | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.042 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -53.5 | -57.1 | 172.5 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | V530 L536 F537 T538 L563 L567 H570 M573 | V530-V534 HydrophobicContact CG1-CG2 4.06Å; V530-V534 WeakPolarHBondContact O-CB 3.44Å; V530-V534 VanDerWaalsContact O-CG2 3.24Å; V530-V534 WeakPolarHBondContact O-CG2 3.32Å; V530-V534 PolarHBondContact O-N 3.44Å; V534-L536 VanDerWaalsContact C-N 3.29Å; V534-L536 PolarHBondContact O-N 2.68Å; V534-F537 PolarHBondContact O-N 3.39Å; V534-T538 HydrophobicContact CG1-CG2 4.25Å; V534-T538 VanDerWaalsContact O-CG2 3.29Å; V534-T538 WeakPolarHBondContact O-CG2 3.33Å; V534-T538 PolarHBondContact O-N 3.05Å; V534-T538 PolarHBondContact O-OG1 3.16Å; V534-T538 VanDerWaalsContact O-OG1 3.09Å; V534-L563 HydrophobicContact CG2-CB 4.16Å; V534-L563 HydrophobicContact CG2-CD1 4.42Å; V534-L563 HydrophobicContact CG2-CD2 4.3Å; V534-L567 HydrophobicContact CG2-CD1 4.35Å; V534-H570 VanDerWaalsContact CG1-CE1 3.46Å; V534-H570 WeakPolarHBondContact CG1-CE1 3.48Å; V534-M573 HydrophobicContact CG1-CG 4.06Å |
| 535 | A | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F497 P531 L532 T538 N539 M573 | F497-A535 HydrophobicContact CE2-CB 3.55Å; F497-A535 HydrophobicContact CZ-CB 3.44Å; F497-A535 VanDerWaalsContact CZ-CB 3.44Å; P531-A535 WeakPolarHBondContact O-CB 3.29Å; P531-A535 PolarHBondContact O-N 3.23Å; L532-A535 PolarHBondContact O-N 3.37Å; A535-T538 PolarHBondContact O-OG1 3.46Å; A535-N539 VanDerWaalsContact O-CB 3.26Å; A535-N539 WeakPolarHBondContact O-CB 3.19Å; A535-N539 PolarHBondContact O-N 3.46Å; A535-N539 VanDerWaalsContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.39Å; A535-M573 HydrophobicContact CB-CB 3.77Å; A535-M573 HydrophobicContact CB-CG 4.2Å |
| 536 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66 | -52.4 | 176.2 | -83.6 | 167.1 | 0 | 0 | 0 | 112 | R493 F497 Y516 A519 L520 L532 L533 V534 L540 | R493-L536 HydrophobicContact CG-CD1 4.22Å; F497-L536 HydrophobicContact CB-CD2 4.12Å; F497-L536 HydrophobicContact CD2-CD2 3.6Å; F497-L536 HydrophobicContact CD2-CG 3.74Å; F497-L536 HydrophobicContact CE2-CG 4.42Å; F497-L536 HydrophobicContact CG-CD2 4.31Å; F497-L536 HydrophobicContact CG-CG 4.46Å; Y516-L536 HydrophobicContact CD1-CD2 3.93Å; A519-L536 HydrophobicContact CB-CD1 4.29Å; A519-L536 HydrophobicContact CB-CD2 3.6Å; L520-L536 HydrophobicContact CD2-CB 4.12Å; L520-L536 HydrophobicContact CD2-CD1 4.16Å; L532-L536 HydrophobicContact CD1-CD1 4.05Å; L532-L536 HydrophobicContact CD1-CG 4.2Å; L532-L536 HydrophobicContact CG-CD1 3.96Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 WeakPolarHBondContact O-CG 3.18Å; L532-L536 PolarHBondContact O-N 3.43Å; L533-L536 PolarHBondContact O-N 3.37Å; V534-L536 VanDerWaalsContact C-N 3.29Å; V534-L536 PolarHBondContact O-N 2.68Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 3.04Å |
| 537 | F | 91.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | -178.3 | -85.7 | -73.2 | 0 | 0 | 0 | 111.7 | F282 L520 L533 V534 T541 I556 K559 A560 L563 | F282-F537 AromaticContact CE2-CE2 3.9Å; F282-F537 HydrophobicContact CE2-CE2 3.9Å; F282-F537 HydrophobicContact CE2-CZ 4.11Å; F282-F537 HydrophobicContact CZ-CD2 4.49Å; F282-F537 HydrophobicContact CZ-CE2 4.14Å; L520-F537 HydrophobicContact CD1-CE1 4.29Å; L520-F537 HydrophobicContact CD1-CZ 4.49Å; L520-F537 HydrophobicContact CD2-CD2 4.5Å; L520-F537 HydrophobicContact CD2-CE2 4.07Å; L520-F537 HydrophobicContact CD2-CZ 4.18Å; L533-F537 HydrophobicContact CD1-CD2 3.93Å; L533-F537 HydrophobicContact CD1-CE2 3.59Å; L533-F537 HydrophobicContact CG-CD2 4.02Å; L533-F537 HydrophobicContact CG-CE2 4.06Å; L533-F537 WeakPolarHBondContact O-CD2 3.44Å; L533-F537 PolarHBondContact O-N 2.97Å; L533-F537 VanDerWaalsContact O-N 3.07Å; V534-F537 PolarHBondContact O-N 3.39Å; F537-T541 VanDerWaalsContact O-CB 3.28Å; F537-T541 WeakPolarHBondContact O-CB 3.42Å; F537-T541 PolarHBondContact O-N 3.3Å; F537-T541 PolarHBondContact O-OG1 3.5Å; F537-I556 HydrophobicContact CD1-CG2 4.27Å; F537-I556 HydrophobicContact CE1-CG1 4.41Å; F537-K559 HydrophobicContact CD1-CB 3.98Å; F537-K559 HydrophobicContact CE1-CB 3.79Å; F537-K559 HydrophobicContact CE1-CD 3.82Å; F537-K559 HydrophobicContact CE1-CG 4.44Å; F537-K559 HydrophobicContact CZ-CB 4.24Å; F537-K559 HydrophobicContact CZ-CD 3.93Å; F537-A560 HydrophobicContact CB-CB 4.01Å; F537-L563 HydrophobicContact CB-CD1 3.98Å; F537-L563 HydrophobicContact CD2-CD1 3.64Å; F537-L563 HydrophobicContact CG-CD1 4.08Å |
| 538 | T | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.9 | -46.7 | -179.4 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | V534 A535 T541 A542 I564 E577 | V534-T538 HydrophobicContact CG1-CG2 4.25Å; V534-T538 VanDerWaalsContact O-CG2 3.29Å; V534-T538 WeakPolarHBondContact O-CG2 3.33Å; V534-T538 PolarHBondContact O-N 3.05Å; V534-T538 PolarHBondContact O-OG1 3.16Å; V534-T538 VanDerWaalsContact O-OG1 3.09Å; A535-T538 PolarHBondContact O-OG1 3.46Å; T538-T541 PolarHBondContact O-N 2.97Å; T538-A542 WeakPolarHBondContact O-CB 3.45Å; T538-A542 PolarHBondContact O-N 3.18Å; T538-I564 HydrophobicContact CG2-CD1 3.58Å; T538-I564 HydrophobicContact CG2-CG1 3.79Å; T538-E577 HydrophobicContact CG2-CG 3.86Å; T538-E577 PolarHBondContact OG1-OE1 3.43Å |
| 539 | N | 90.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178 | -75.1 | -59.6 | 0 | 0 | 0 | 112.3 | Y516 A535 A542 I543 S574 | Y516-N539 HydrophobicContact CD2-CB 4.33Å; Y516-N539 HydrophobicContact CE1-CB 4.5Å; Y516-N539 HydrophobicContact CE2-CB 3.66Å; A535-N539 VanDerWaalsContact O-CB 3.26Å; A535-N539 WeakPolarHBondContact O-CB 3.19Å; A535-N539 PolarHBondContact O-N 3.46Å; A535-N539 VanDerWaalsContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.39Å; N539-A542 PolarHBondContact O-N 3.34Å; N539-I543 WeakPolarHBondContact O-CG1 3.48Å; N539-I543 PolarHBondContact O-N 3.1Å; N539-S574 WeakPolarHBondContact OD1-CB 3.41Å; N539-S574 PolarHBondContact OD1-OG 3.26Å |
| 540 | L | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.3 | -177.2 | 60.1 | 0 | 0 | 0 | 111.5 | R513 E517 L520 L536 A542 I543 Y544 I556 | R513-L540 HydrophobicContact CG-CD1 4.13Å; E517-L540 HydrophobicContact CG-CD1 4.1Å; E517-L540 HydrophobicContact CG-CD2 4.4Å; L520-L540 HydrophobicContact CD1-CD2 3.5Å; L520-L540 VanDerWaalsContact CD1-CD2 3.5Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 3.04Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 2.84Å; L540-I543 PolarHBondContact O-N 2.82Å; L540-Y544 HydrophobicContact CD1-CD1 4.01Å; L540-Y544 HydrophobicContact CD1-CE1 3.52Å; L540-Y544 HydrophobicContact CG-CD1 4.47Å; L540-Y544 HydrophobicContact CG-CE1 4.11Å; L540-Y544 HydrophobicContact CG-CE2 4.39Å; L540-Y544 PolarHBondContact O-N 3.18Å; L540-I556 HydrophobicContact CD2-CD1 3.73Å; L540-I556 HydrophobicContact CG-CD1 4.45Å |
| 541 | T | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | F537 T538 I543 Y544 L545 L553 I556 L557 A560 L580 | F537-T541 VanDerWaalsContact O-CB 3.28Å; F537-T541 WeakPolarHBondContact O-CB 3.42Å; F537-T541 PolarHBondContact O-N 3.3Å; F537-T541 PolarHBondContact O-OG1 3.5Å; T538-T541 PolarHBondContact O-N 2.97Å; T541-I543 PolarHBondContact O-N 3.4Å; T541-Y544 PolarHBondContact O-N 3.28Å; T541-L545 HydrophobicContact CG2-CD1 4.34Å; T541-L545 WeakPolarHBondContact O-CG 3.18Å; T541-L545 PolarHBondContact O-N 3.08Å; T541-L553 HydrophobicContact CG2-CD1 3.95Å; T541-I556 VanDerWaalsContact OG1-CG2 3.22Å; T541-I556 WeakPolarHBondContact OG1-CG2 3.26Å; T541-L557 HydrophobicContact CG2-CD1 3.91Å; T541-A560 WeakPolarHBondContact OG1-CB 3.31Å; T541-L580 HydrophobicContact CG2-CD1 4.08Å; T541-L580 HydrophobicContact CG2-CD2 4.38Å |
| 542 | A | 89.3 | Confident | 88 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T538 N539 L540 L545 K546 D576 | T538-A542 WeakPolarHBondContact O-CB 3.45Å; T538-A542 PolarHBondContact O-N 3.18Å; N539-A542 PolarHBondContact O-N 3.34Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 2.84Å; A542-L545 PolarHBondContact O-N 3.2Å; A542-K546 WeakPolarHBondContact O-CB 3.35Å; A542-K546 WeakPolarHBondContact O-CG 3.34Å; A542-K546 PolarHBondContact O-N 3.3Å; A542-D576 HydrophobicContact CB-CB 3.55Å |
| 543 | I | 90.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 175 | -71.3 | -179.4 | 0 | 0 | 0 | 111.2 | F509 A512 R513 Y516 N539 L540 T541 L545 K546 Q547 | F509-I543 HydrophobicContact CB-CG2 4.43Å; F509-I543 HydrophobicContact CD1-CG1 4.34Å; A512-I543 HydrophobicContact CB-CD1 3.53Å; R513-I543 HydrophobicContact CB-CG2 3.91Å; R513-I543 HydrophobicContact CG-CG2 4.31Å; Y516-I543 HydrophobicContact CD2-CD1 3.72Å; Y516-I543 HydrophobicContact CE2-CD1 3.49Å; Y516-I543 VanDerWaalsContact CE2-CD1 3.49Å; N539-I543 WeakPolarHBondContact O-CG1 3.48Å; N539-I543 PolarHBondContact O-N 3.1Å; L540-I543 PolarHBondContact O-N 2.82Å; T541-I543 PolarHBondContact O-N 3.4Å; I543-L545 VanDerWaalsContact C-N 3.31Å; I543-L545 PolarHBondContact O-N 2.97Å; I543-K546 PolarHBondContact O-N 2.87Å; I543-Q547 HydrophobicContact CG2-CG 4.24Å; I543-Q547 WeakPolarHBondContact O-CB 3.43Å; I543-Q547 WeakPolarHBondContact O-CG 3.43Å; I543-Q547 PolarHBondContact O-N 2.92Å |
| 544 | Y | 90.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.9 | -77.2 | 3.5 | 0 | 0 | 0 | 112.5 | R513 E517 L540 T541 Q547 R548 M549 K552 I556 | R513-Y544 HydrophobicContact CG-CD1 4.39Å; R513-Y544 HydrophobicContact CG-CE1 3.84Å; E517-Y544 PolarHBondContact OE1-OH 3.47Å; L540-Y544 HydrophobicContact CD1-CD1 4.01Å; L540-Y544 HydrophobicContact CD1-CE1 3.52Å; L540-Y544 HydrophobicContact CG-CD1 4.47Å; L540-Y544 HydrophobicContact CG-CE1 4.11Å; L540-Y544 HydrophobicContact CG-CE2 4.39Å; L540-Y544 PolarHBondContact O-N 3.18Å; T541-Y544 PolarHBondContact O-N 3.28Å; Y544-Q547 CarbonylContact O-C 3.41Å; Y544-Q547 PolarHBondContact O-N 3.28Å; Y544-R548 PolarHBondContact O-N 3.28Å; Y544-M549 HydrophobicContact CD1-CB 4.42Å; Y544-M549 HydrophobicContact CD1-CG 4.49Å; Y544-M549 HydrophobicContact CG-CB 4.32Å; Y544-M549 PolarHBondContact O-N 3.48Å; Y544-K552 HydrophobicContact CD2-CB 4.27Å; Y544-K552 HydrophobicContact CE2-CB 3.54Å; Y544-K552 HydrophobicContact CE2-CD 4.41Å; Y544-K552 WeakPolarHBondContact OH-CD 3.49Å; Y544-I556 HydrophobicContact CD2-CD1 4.29Å; Y544-I556 HydrophobicContact CE2-CB 4.42Å; Y544-I556 HydrophobicContact CE2-CD1 3.35Å; Y544-I556 HydrophobicContact CE2-CG1 4.45Å |
| 545 | L | 86.6 | Confident | 87 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 173.2 | -69.7 | 171.3 | 0 | 0 | 0 | 111.5 | T541 A542 I543 Q547 R548 L553 E579 L583 | T541-L545 HydrophobicContact CG2-CD1 4.34Å; T541-L545 WeakPolarHBondContact O-CG 3.18Å; T541-L545 PolarHBondContact O-N 3.08Å; A542-L545 PolarHBondContact O-N 3.2Å; I543-L545 VanDerWaalsContact C-N 3.31Å; I543-L545 PolarHBondContact O-N 2.97Å; L545-Q547 VanDerWaalsContact C-N 3.28Å; L545-Q547 PolarHBondContact O-N 2.95Å; L545-R548 PolarHBondContact O-N 3.45Å; L545-L553 HydrophobicContact CD2-CD1 3.98Å; L545-L553 HydrophobicContact CD2-CD2 3.62Å; L545-L553 HydrophobicContact CD2-CG 4.45Å; L545-L553 HydrophobicContact CG-CD1 4.08Å; L545-E579 HydrophobicContact CD1-CB 4.33Å; L545-L583 HydrophobicContact CD2-CD2 3.93Å |
| 546 | K | 86.1 | Confident | 86.8 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 177.1 | -73.1 | 174.1 | -179 | 176.7 | 0 | 112.4 | F509 A542 I543 D576 | F509-K546 HydrophobicContact CD1-CD 4.36Å; F509-K546 HydrophobicContact CE1-CD 3.98Å; F509-K546 HydrophobicContact CZ-CD 4.17Å; A542-K546 WeakPolarHBondContact O-CB 3.35Å; A542-K546 WeakPolarHBondContact O-CG 3.34Å; A542-K546 PolarHBondContact O-N 3.3Å; I543-K546 PolarHBondContact O-N 2.87Å; K546-D576 IonicContact NZ-OD1 3.16Å; K546-D576 PolarHBondContact NZ-OD1 3Å; K546-D576 IonicContact NZ-OD2 2.62Å; K546-D576 PolarHBondContact NZ-OD2 3.25Å |
| 547 | Q | 88.7 | Confident | 86.6 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -91.8 | -0.8 | -179.9 | -66.5 | -171.1 | -18.1 | 0 | 0 | 114.5 | F509 S510 I543 Y544 L545 M549 | F509-Q547 VanDerWaalsContact C-NE2 3.34Å; S510-Q547 PolarHBondContact OG-NE2 3.07Å; I543-Q547 HydrophobicContact CG2-CG 4.24Å; I543-Q547 WeakPolarHBondContact O-CB 3.43Å; I543-Q547 WeakPolarHBondContact O-CG 3.43Å; I543-Q547 PolarHBondContact O-N 2.92Å; Y544-Q547 CarbonylContact O-C 3.41Å; Y544-Q547 PolarHBondContact O-N 3.28Å; L545-Q547 VanDerWaalsContact C-N 3.28Å; L545-Q547 PolarHBondContact O-N 2.95Å; Q547-M549 VanDerWaalsContact C-N 3.34Å; Q547-M549 HydrophobicContact CB-CG 4.01Å; Q547-M549 PolarHBondContact O-N 2.91Å |
| 548 | R | 83.4 | Confident | 86.4 | Confident | 224 Ų | 224 | 52.7 Ų | 52.7 | 85% | 0.845 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 40.7 | -178.2 | -57.1 | -176.6 | 178.5 | -175.7 | -0.5 | 114.4 | Y544 L545 S550 | Y544-R548 PolarHBondContact O-N 3.28Å; L545-R548 PolarHBondContact O-N 3.45Å; R548-S550 PolarHBondContact O-N 2.86Å; R548-S550 VanDerWaalsContact O-N 3.12Å |
| 549 | M | 83.4 | Confident | 86.4 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 30% | 0.296 | 26% | 0.264 | S | S | . | . | trans | -82 | 83.1 | 179.8 | -65.9 | -65.1 | -61.5 | 0 | 0 | 111.6 | Y544 Q547 D551 L553 | Y544-M549 HydrophobicContact CD1-CB 4.42Å; Y544-M549 HydrophobicContact CD1-CG 4.49Å; Y544-M549 HydrophobicContact CG-CB 4.32Å; Y544-M549 PolarHBondContact O-N 3.48Å; Q547-M549 VanDerWaalsContact C-N 3.34Å; Q547-M549 HydrophobicContact CB-CG 4.01Å; Q547-M549 PolarHBondContact O-N 2.91Å; M549-D551 PolarHBondContact O-N 2.83Å; M549-L553 WeakPolarHBondContact O-CB 3.36Å; M549-L553 PolarHBondContact O-N 3.4Å | ||
| 550 | S | 76.9 | Confident | 86.5 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34.6 | -173.9 | 49.8 | 0 | 0 | 0 | 0 | 115 | R548 P554 | R548-S550 PolarHBondContact O-N 2.86Å; R548-S550 VanDerWaalsContact O-N 3.12Å; S550-P554 WeakPolarHBondContact O-CD 3.5Å |
| 551 | D | 80.1 | Confident | 86.4 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 77% | 0.765 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -35.6 | -165.3 | -52.3 | -18.8 | 0 | 0 | 0 | 112.5 | M549 | M549-D551 PolarHBondContact O-N 2.83Š|
| 552 | K | 82.1 | Confident | 86.4 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -17 | 179.6 | -61.8 | -170.5 | -177.3 | -172.8 | 0 | 113.4 | E517 Y544 | E517-K552 IonicContact OE1-NZ 3.75Å; E517-K552 PolarHBondContact OE1-NZ 3.39Å; E517-K552 IonicContact OE2-NZ 3.14Å; Y544-K552 HydrophobicContact CD2-CB 4.27Å; Y544-K552 HydrophobicContact CE2-CB 3.54Å; Y544-K552 HydrophobicContact CE2-CD 4.41Å; Y544-K552 WeakPolarHBondContact OH-CD 3.49Å |
| 553 | L | 84.7 | Confident | 86.4 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | -174.5 | 177.7 | 68.7 | 0 | 0 | 0 | 113.7 | T541 L545 M549 Q555 I556 L557 | T541-L553 HydrophobicContact CG2-CD1 3.95Å; L545-L553 HydrophobicContact CD2-CD1 3.98Å; L545-L553 HydrophobicContact CD2-CD2 3.62Å; L545-L553 HydrophobicContact CD2-CG 4.45Å; L545-L553 HydrophobicContact CG-CD1 4.08Å; M549-L553 WeakPolarHBondContact O-CB 3.36Å; M549-L553 PolarHBondContact O-N 3.4Å; L553-Q555 PolarHBondContact O-N 2.83Å; L553-I556 PolarHBondContact O-N 2.66Å; L553-L557 HydrophobicContact CD1-CB 4.3Å; L553-L557 HydrophobicContact CG-CB 4.41Å; L553-L557 WeakPolarHBondContact O-CA 3.4Å; L553-L557 WeakPolarHBondContact O-CB 3.18Å; L553-L557 PolarHBondContact O-N 3.24Å |
| 554 | P | 84.1 | Confident | 86.4 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | -172 | -26.9 | 34.8 | 0 | 0 | 0 | 114 | S550 L557 E558 | S550-P554 WeakPolarHBondContact O-CD 3.5Å; P554-L557 PolarHBondContact O-N 3.26Å; P554-E558 WeakPolarHBondContact O-CG 3.37Å; P554-E558 PolarHBondContact O-N 3.43Å; P554-E558 VanDerWaalsContact O-N 3.09Å |
| 555 | Q | 81.4 | Confident | 86.3 | Confident | 154 Ų | 154 | 53.6 Ų | 53.6 | 72% | 0.72 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | -177.8 | -66.3 | 179.5 | -7.5 | 0 | 0 | 112.4 | L553 | L553-Q555 PolarHBondContact O-N 2.83Å |
| 556 | I | 87.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -75.4 | -36.2 | 179.5 | -81.2 | 162 | 0 | 0 | 0 | 110.9 | F537 L540 T541 Y544 L553 K559 A560 | F537-I556 HydrophobicContact CD1-CG2 4.27Å; F537-I556 HydrophobicContact CE1-CG1 4.41Å; L540-I556 HydrophobicContact CD2-CD1 3.73Å; L540-I556 HydrophobicContact CG-CD1 4.45Å; T541-I556 VanDerWaalsContact OG1-CG2 3.22Å; T541-I556 WeakPolarHBondContact OG1-CG2 3.26Å; Y544-I556 HydrophobicContact CD2-CD1 4.29Å; Y544-I556 HydrophobicContact CE2-CB 4.42Å; Y544-I556 HydrophobicContact CE2-CD1 3.35Å; Y544-I556 HydrophobicContact CE2-CG1 4.45Å; L553-I556 PolarHBondContact O-N 2.66Å; I556-K559 PolarHBondContact O-N 3.38Å; I556-A560 WeakPolarHBondContact O-CB 3.44Å; I556-A560 PolarHBondContact O-N 2.92Å |
| 557 | L | 88.2 | Confident | 86.3 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 176.6 | 176.5 | 64.1 | 0 | 0 | 0 | 111.6 | T541 L553 P554 K559 A560 S561 L580 L583 | T541-L557 HydrophobicContact CG2-CD1 3.91Å; L553-L557 HydrophobicContact CD1-CB 4.3Å; L553-L557 HydrophobicContact CG-CB 4.41Å; L553-L557 WeakPolarHBondContact O-CA 3.4Å; L553-L557 WeakPolarHBondContact O-CB 3.18Å; L553-L557 PolarHBondContact O-N 3.24Å; P554-L557 PolarHBondContact O-N 3.26Å; L557-K559 PolarHBondContact O-N 2.92Å; L557-A560 PolarHBondContact O-N 3.19Å; L557-S561 VanDerWaalsContact O-CB 3.23Å; L557-S561 WeakPolarHBondContact O-CB 3.28Å; L557-S561 PolarHBondContact O-N 3.32Å; L557-S561 PolarHBondContact O-OG 2.84Å; L557-L580 HydrophobicContact CD1-CD1 3.06Å; L557-L580 HydrophobicContact CG-CD1 4.49Å; L557-L583 HydrophobicContact CD1-CD2 3.88Å; L557-L583 HydrophobicContact CD2-CD2 3.56Å; L557-L583 HydrophobicContact CG-CD2 4.4Å |
| 558 | E | 87.6 | Confident | 85.8 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 179.2 | -72.5 | -72.1 | 152.5 | 0 | 0 | 112 | S268 V269 P554 S561 A562 R587 | S268-E558 WeakPolarHBondContact CB-OE2 3.44Å; S268-E558 PolarHBondContact N-OE2 3.34Å; S268-E558 VanDerWaalsContact OG-CG 3.29Å; S268-E558 WeakPolarHBondContact OG-CG 3.24Å; S268-E558 PolarHBondContact OG-OE2 3.48Å; V269-E558 HydrophobicContact CG2-CB 4.32Å; P554-E558 WeakPolarHBondContact O-CG 3.37Å; P554-E558 PolarHBondContact O-N 3.43Å; P554-E558 VanDerWaalsContact O-N 3.09Å; E558-S561 PolarHBondContact O-N 2.88Å; E558-A562 WeakPolarHBondContact O-CB 3.39Å; E558-A562 PolarHBondContact O-N 2.86Å; E558-R587 IonicContact OE1-CZ 3.98Å; E558-R587 IonicContact OE1-NH1 3.61Å; E558-R587 PolarHBondContact OE1-NH1 3.19Å; E558-R587 IonicContact OE1-NH2 2.69Å; E558-R587 PolarHBondContact OE1-NH2 3.14Å |
| 559 | K | 90.4 | Very high | 85.5 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.5 | -68 | 178.6 | -179.1 | -178.5 | 0 | 112.1 | E248 F282 F537 I556 L557 S561 A562 L563 | E248-K559 WeakPolarHBondContact OE1-CE 3.46Å; E248-K559 IonicContact OE1-NZ 3.41Å; E248-K559 PolarHBondContact OE1-NZ 3.5Å; F282-K559 HydrophobicContact CD1-CB 4.48Å; F282-K559 HydrophobicContact CD1-CG 4.27Å; F282-K559 HydrophobicContact CD2-CD 4.1Å; F282-K559 HydrophobicContact CD2-CG 4.21Å; F282-K559 HydrophobicContact CE1-CB 3.97Å; F282-K559 HydrophobicContact CE1-CG 4.24Å; F282-K559 HydrophobicContact CE2-CB 4.2Å; F282-K559 HydrophobicContact CE2-CD 4.13Å; F282-K559 HydrophobicContact CE2-CG 4.2Å; F282-K559 HydrophobicContact CG-CG 4.24Å; F282-K559 HydrophobicContact CZ-CB 3.81Å; F282-K559 HydrophobicContact CZ-CG 4.21Å; F537-K559 HydrophobicContact CD1-CB 3.98Å; F537-K559 HydrophobicContact CE1-CB 3.79Å; F537-K559 HydrophobicContact CE1-CD 3.82Å; F537-K559 HydrophobicContact CE1-CG 4.44Å; F537-K559 HydrophobicContact CZ-CB 4.24Å; F537-K559 HydrophobicContact CZ-CD 3.93Å; I556-K559 PolarHBondContact O-N 3.38Å; L557-K559 PolarHBondContact O-N 2.92Å; K559-S561 VanDerWaalsContact C-N 3.32Å; K559-S561 PolarHBondContact O-N 3.07Å; K559-A562 PolarHBondContact O-N 3.04Å; K559-L563 WeakPolarHBondContact O-CG 3.46Å; K559-L563 PolarHBondContact O-N 2.88Å; K559-L563 VanDerWaalsContact O-N 3.07Å |
| 560 | A | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F537 T541 I556 L557 L563 I564 L580 | F537-A560 HydrophobicContact CB-CB 4.01Å; T541-A560 WeakPolarHBondContact OG1-CB 3.31Å; I556-A560 WeakPolarHBondContact O-CB 3.44Å; I556-A560 PolarHBondContact O-N 2.92Å; L557-A560 PolarHBondContact O-N 3.19Å; A560-L563 PolarHBondContact O-N 3.18Å; A560-I564 WeakPolarHBondContact O-CG1 3.46Å; A560-I564 PolarHBondContact O-N 3.29Å; A560-L580 HydrophobicContact CB-CD2 3.81Å |
| 561 | S | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L557 E558 K559 I564 L565 L584 | L557-S561 VanDerWaalsContact O-CB 3.23Å; L557-S561 WeakPolarHBondContact O-CB 3.28Å; L557-S561 PolarHBondContact O-N 3.32Å; L557-S561 PolarHBondContact O-OG 2.84Å; E558-S561 PolarHBondContact O-N 2.88Å; K559-S561 VanDerWaalsContact C-N 3.32Å; K559-S561 PolarHBondContact O-N 3.07Å; S561-I564 PolarHBondContact O-N 3.39Å; S561-L565 VanDerWaalsContact O-CB 3.24Å; S561-L565 WeakPolarHBondContact O-CB 3.47Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 2.84Å; S561-L584 WeakPolarHBondContact OG-CD2 3.47Å |
| 562 | A | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V269 F282 E558 K559 I564 C566 | V269-A562 WeakPolarHBondContact O-CB 3.45Å; F282-A562 HydrophobicContact CE1-CB 4.39Å; E558-A562 WeakPolarHBondContact O-CB 3.39Å; E558-A562 PolarHBondContact O-N 2.86Å; K559-A562 PolarHBondContact O-N 3.04Å; A562-I564 PolarHBondContact O-N 2.77Å; A562-C566 WeakPolarHBondContact O-CB 3.29Å; A562-C566 PolarHBondContact O-N 2.94Å |
| 563 | L | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 178.5 | -71.4 | 173.9 | 0 | 0 | 0 | 113.1 | I271 F282 F527 L533 V534 F537 K559 A560 L567 | I271-L563 HydrophobicContact CD1-CD2 3.92Å; F282-L563 HydrophobicContact CE1-CD1 4.49Å; F282-L563 HydrophobicContact CE1-CD2 4.19Å; F282-L563 HydrophobicContact CE1-CG 3.97Å; F282-L563 HydrophobicContact CZ-CD1 3.89Å; F282-L563 HydrophobicContact CZ-CD2 4.08Å; F282-L563 HydrophobicContact CZ-CG 3.85Å; F527-L563 HydrophobicContact CE1-CD2 4.5Å; L533-L563 HydrophobicContact CD2-CD1 4.5Å; L533-L563 HydrophobicContact CD2-CD2 4.3Å; L533-L563 HydrophobicContact CG-CD1 4.16Å; V534-L563 HydrophobicContact CG2-CB 4.16Å; V534-L563 HydrophobicContact CG2-CD1 4.42Å; V534-L563 HydrophobicContact CG2-CD2 4.3Å; F537-L563 HydrophobicContact CB-CD1 3.98Å; F537-L563 HydrophobicContact CD2-CD1 3.64Å; F537-L563 HydrophobicContact CG-CD1 4.08Å; K559-L563 WeakPolarHBondContact O-CG 3.46Å; K559-L563 PolarHBondContact O-N 2.88Å; K559-L563 VanDerWaalsContact O-N 3.07Å; A560-L563 PolarHBondContact O-N 3.18Å; L563-L567 HydrophobicContact CD2-CD1 4.27Å; L563-L567 WeakPolarHBondContact O-CD1 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.28Å |
| 564 | I | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -77.4 | -46.2 | -179.4 | -69.2 | -175 | 0 | 0 | 0 | 112.7 | T538 A560 S561 A562 E577 L580 L581 L603 | T538-I564 HydrophobicContact CG2-CD1 3.58Å; T538-I564 HydrophobicContact CG2-CG1 3.79Å; A560-I564 WeakPolarHBondContact O-CG1 3.46Å; A560-I564 PolarHBondContact O-N 3.29Å; S561-I564 PolarHBondContact O-N 3.39Å; A562-I564 PolarHBondContact O-N 2.77Å; I564-E577 HydrophobicContact CD1-CB 4.46Å; I564-E577 HydrophobicContact CD1-CG 4.21Å; I564-L580 HydrophobicContact CD1-CD2 3.42Å; I564-L580 VanDerWaalsContact CD1-CD2 3.42Å; I564-L580 HydrophobicContact CD1-CG 4.18Å; I564-L581 HydrophobicContact CG2-CD2 3.89Å; I564-L603 HydrophobicContact CG2-CD1 3.58Å |
| 565 | L | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -86.3 | -32.2 | -169.4 | -66.9 | 168.8 | 0 | 0 | 0 | 112.9 | L267 S561 L584 L596 R599 V600 L603 | L267-L565 HydrophobicContact CD1-CB 4.28Å; L267-L565 HydrophobicContact CD1-CD1 3.98Å; L267-L565 HydrophobicContact CD2-CD1 4.19Å; L267-L565 HydrophobicContact CG-CD1 4.43Å; S561-L565 VanDerWaalsContact O-CB 3.24Å; S561-L565 WeakPolarHBondContact O-CB 3.47Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 2.84Å; L565-L584 HydrophobicContact CD1-CD1 3.93Å; L565-L584 HydrophobicContact CD1-CD2 4.4Å; L565-L584 HydrophobicContact CG-CD1 4.37Å; L565-L596 HydrophobicContact CD1-CD1 3.73Å; L565-L596 HydrophobicContact CD2-CD1 4.48Å; L565-R599 HydrophobicContact CD2-CG 3.79Å; L565-R599 PolarHBondContact O-NE 3.09Å; L565-R599 PolarHBondContact O-NH2 3.27Å; L565-V600 HydrophobicContact CD2-CG2 3.78Å; L565-L603 HydrophobicContact CD2-CD1 3.69Å |
| 566 | C | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -92.2 | -26.4 | -170.2 | -61 | 0 | 0 | 0 | 0 | 113.5 | G261 L262 A562 | G261-C566 CarbonylContact C-O 3.4Å; G261-C566 VanDerWaalsContact CA-O 3.3Å; G261-C566 WeakPolarHBondContact CA-O 3.27Å; L262-C566 PolarHBondContact N-O 2.9Å; L262-C566 WeakPolarHBondContact O-CB 3.32Å; L262-C566 PolarHBondContact O-SG 3.45Å; A562-C566 WeakPolarHBondContact O-CB 3.29Å; A562-C566 PolarHBondContact O-N 2.94Å |
| 567 | L | 85.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 19.9 Ų | 19.9 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -77.6 | 135 | 176.2 | -66.7 | 176.6 | 0 | 0 | 0 | 110.3 | I271 V530 V534 L563 R599 | I271-L567 HydrophobicContact CD1-CD1 4.07Å; I271-L567 HydrophobicContact CD1-CD2 3.5Å; I271-L567 HydrophobicContact CD1-CG 3.6Å; V530-L567 HydrophobicContact CG1-CD1 3.84Å; V534-L567 HydrophobicContact CG2-CD1 4.35Å; L563-L567 HydrophobicContact CD2-CD1 4.27Å; L563-L567 WeakPolarHBondContact O-CD1 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.28Å; L567-R599 PolarHBondContact O-NH2 2.79Å |
| 568 | P | 78.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 19.8 Ų | 19.8 | 33% | 0.325 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 150.3 | 170.3 | 29.7 | -33 | 0 | 0 | 0 | 110.4 | T304 H570 | T304-P568 HydrophobicContact CG2-CB 4.11Å; P568-H570 VanDerWaalsContact C-N 3.31Å; P568-H570 PolarHBondContact O-N 3.21Å |
| 569 | C | 76.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 22.7 Ų | 22.7 | 41% | 0.412 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 44.2 | 172.7 | -64.8 | 0 | 0 | 0 | 0 | 114 | E306 E307 A571 | E306-C569 VanDerWaalsContact CB-SG 3.55Å; E307-C569 PolarHBondContact OE1-N 3.48Å; C569-A571 PolarHBondContact O-N 3.22Å; C569-A571 VanDerWaalsContact O-N 3.15Å |
| 570 | H | 84.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 21.2 Ų | 21.2 | 9% | 0.088 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 119.2 | 179 | 175.1 | 70.3 | 0 | 0 | 0 | 112.2 | V534 P568 F572 E577 L603 | V534-H570 VanDerWaalsContact CG1-CE1 3.46Å; V534-H570 WeakPolarHBondContact CG1-CE1 3.48Å; P568-H570 VanDerWaalsContact C-N 3.31Å; P568-H570 PolarHBondContact O-N 3.21Å; H570-F572 AromaticContact CD2-CD1 3.71Å; H570-F572 AromaticContact CD2-CE1 3.66Å; H570-F572 AromaticContact NE2-CD1 3.8Å; H570-E577 IonicContact CD2-OE2 2.98Å; H570-E577 IonicContact CE1-OE2 2.78Å; H570-E577 IonicContact NE2-OE2 3.9Å; H570-E577 PolarHBondContact NE2-OE2 3.2Å; H570-L603 HydrophobicContact CB-CD2 4.47Å |
| 571 | A | 81.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 21.2 Ų | 21.2 | 50% | 0.496 | 13% | 0.13 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 123.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | C569 M573 | C569-A571 PolarHBondContact O-N 3.22Å; C569-A571 VanDerWaalsContact O-N 3.15Å; A571-M573 HydrophobicContact CB-SD 3.9Å; A571-M573 WeakPolarHBondContact O-CG 3.46Å; A571-M573 PolarHBondContact O-N 3.2Å |
| 572 | F | 86.5 | Confident | 86.5 | Confident | 26 Ų | 26 | 22.2 Ų | 22.2 | 11% | 0.114 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 118.7 | 179.6 | -63.5 | -74.2 | 0 | 0 | 0 | 111 | H570 E577 L603 L607 V610 | H570-F572 AromaticContact CD2-CD1 3.71Å; H570-F572 AromaticContact CD2-CE1 3.66Å; H570-F572 AromaticContact NE2-CD1 3.8Å; F572-E577 WeakPolarHBondContact CD1-OE2 3.44Å; F572-L603 HydrophobicContact CZ-CD2 4.3Å; F572-L603 VanDerWaalsContact CZ-O 3.24Å; F572-L603 WeakPolarHBondContact CZ-O 3.45Å; F572-L607 HydrophobicContact CB-CD1 3.81Å; F572-L607 HydrophobicContact CD1-CB 3.84Å; F572-L607 HydrophobicContact CD1-CD1 3.69Å; F572-L607 HydrophobicContact CD1-CD2 3.79Å; F572-L607 HydrophobicContact CD1-CG 3.98Å; F572-L607 HydrophobicContact CD2-CB 4.34Å; F572-L607 HydrophobicContact CD2-CD1 4.27Å; F572-L607 HydrophobicContact CE1-CB 3.59Å; F572-L607 HydrophobicContact CE1-CD1 4.37Å; F572-L607 HydrophobicContact CE1-CD2 4Å; F572-L607 HydrophobicContact CE1-CG 4.2Å; F572-L607 HydrophobicContact CE2-CB 4.12Å; F572-L607 HydrophobicContact CG-CB 4.22Å; F572-L607 HydrophobicContact CG-CD1 3.65Å; F572-L607 HydrophobicContact CG-CG 4.35Å; F572-L607 HydrophobicContact CZ-CB 3.74Å; F572-V610 HydrophobicContact CD2-CG2 4.37Å |
| 573 | M | 83.8 | Confident | 86.5 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | trans | -102.4 | -19.3 | -175.6 | -48.2 | -46.3 | -75 | 0 | 0 | 111.7 | Y453 P531 V534 A535 A571 E577 | Y453-M573 VanDerWaalsContact C-CE 3.49Å; Y453-M573 HydrophobicContact CG-CE 4.34Å; Y453-M573 WeakPolarHBondContact O-CB 3.45Å; Y453-M573 WeakPolarHBondContact O-CE 3.37Å; P531-M573 HydrophobicContact CB-CE 4.3Å; V534-M573 HydrophobicContact CG1-CG 4.06Å; A535-M573 HydrophobicContact CB-CB 3.77Å; A535-M573 HydrophobicContact CB-CG 4.2Å; A571-M573 HydrophobicContact CB-SD 3.9Å; A571-M573 WeakPolarHBondContact O-CG 3.46Å; A571-M573 PolarHBondContact O-N 3.2Å; M573-E577 PolarHBondContact N-OE1 3.35Å; M573-E577 VanDerWaalsContact N-OE1 3.08Å | ||
| 574 | S | 84.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | trans | -144.8 | 143.1 | 178.3 | -172 | 0 | 0 | 0 | 0 | 112.8 | N539 D576 E577 | N539-S574 WeakPolarHBondContact OD1-CB 3.41Å; N539-S574 PolarHBondContact OD1-OG 3.26Å; S574-D576 PolarHBondContact O-N 3.43Å; S574-D576 PolarHBondContact OG-N 3.25Å; S574-E577 PolarHBondContact N-OE1 3.44Å; S574-E577 VanDerWaalsContact N-OE1 3.12Å; S574-E577 WeakPolarHBondContact O-CB 3.31Å; S574-E577 WeakPolarHBondContact O-CG 3.49Å; S574-E577 PolarHBondContact O-N 3Å | ||
| 575 | S | 84.1 | Confident | 86.5 | Confident | 62 Ų | 62 | 23 Ų | 23 | 43% | 0.434 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19 | 172.7 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | L455 E577 V578 | L455-S575 VanDerWaalsContact CD1-N 3.29Å; S575-E577 VanDerWaalsContact C-N 3.25Å; S575-E577 PolarHBondContact O-N 3.44Å; S575-V578 WeakPolarHBondContact O-CG2 3.48Å |
| 576 | D | 83.6 | Confident | 86.6 | Confident | 32 Ų | 32 | 23.9 Ų | 23.9 | 17% | 0.171 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -13.3 | 178.1 | -78.7 | -19.5 | 0 | 0 | 0 | 113.2 | A542 K546 S574 V578 E579 | A542-D576 HydrophobicContact CB-CB 3.55Å; K546-D576 IonicContact NZ-OD1 3.16Å; K546-D576 PolarHBondContact NZ-OD1 3Å; K546-D576 IonicContact NZ-OD2 2.62Å; K546-D576 PolarHBondContact NZ-OD2 3.25Å; S574-D576 PolarHBondContact O-N 3.43Å; S574-D576 PolarHBondContact OG-N 3.25Å; D576-V578 PolarHBondContact O-N 3.24Å; D576-V578 VanDerWaalsContact O-N 3.12Å; D576-E579 PolarHBondContact O-N 3.06Å |
| 577 | E | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -25.3 | 174.1 | -75.6 | 173 | -150.9 | 0 | 0 | 112.6 | T538 I564 H570 F572 M573 S574 S575 E579 L580 L581 L607 | T538-E577 HydrophobicContact CG2-CG 3.86Å; T538-E577 PolarHBondContact OG1-OE1 3.43Å; I564-E577 HydrophobicContact CD1-CB 4.46Å; I564-E577 HydrophobicContact CD1-CG 4.21Å; H570-E577 IonicContact CD2-OE2 2.98Å; H570-E577 IonicContact CE1-OE2 2.78Å; H570-E577 IonicContact NE2-OE2 3.9Å; H570-E577 PolarHBondContact NE2-OE2 3.2Å; F572-E577 WeakPolarHBondContact CD1-OE2 3.44Å; M573-E577 PolarHBondContact N-OE1 3.35Å; M573-E577 VanDerWaalsContact N-OE1 3.08Å; S574-E577 PolarHBondContact N-OE1 3.44Å; S574-E577 VanDerWaalsContact N-OE1 3.12Å; S574-E577 WeakPolarHBondContact O-CB 3.31Å; S574-E577 WeakPolarHBondContact O-CG 3.49Å; S574-E577 PolarHBondContact O-N 3Å; S575-E577 VanDerWaalsContact C-N 3.25Å; S575-E577 PolarHBondContact O-N 3.44Å; E577-E579 VanDerWaalsContact C-N 3.26Å; E577-E579 PolarHBondContact O-N 2.94Å; E577-L580 WeakPolarHBondContact O-CB 3.21Å; E577-L580 PolarHBondContact O-N 3.43Å; E577-L581 WeakPolarHBondContact O-CG 3.43Å; E577-L581 PolarHBondContact O-N 3.44Å; E577-L607 HydrophobicContact CB-CD2 3.92Å |
| 578 | V | 89.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.6 | -39.3 | 172.6 | 176 | 0 | 0 | 0 | 0 | 112.1 | S575 D576 L580 L581 K582 L607 Y608 | S575-V578 WeakPolarHBondContact O-CG2 3.48Å; D576-V578 PolarHBondContact O-N 3.24Å; D576-V578 VanDerWaalsContact O-N 3.12Å; V578-L580 VanDerWaalsContact C-N 3.34Å; V578-L581 PolarHBondContact O-N 2.95Å; V578-K582 HydrophobicContact CG1-CD 4.11Å; V578-K582 VanDerWaalsContact CG1-CE 3.43Å; V578-K582 HydrophobicContact CG1-CG 4.38Å; V578-K582 VanDerWaalsContact O-CG 3.28Å; V578-K582 WeakPolarHBondContact O-CG 3.31Å; V578-K582 PolarHBondContact O-N 3.15Å; V578-L607 HydrophobicContact CB-CD2 4.27Å; V578-L607 HydrophobicContact CG2-CD2 3.27Å; V578-L607 HydrophobicContact CG2-CG 3.74Å; V578-Y608 HydrophobicContact CG1-CE1 3.91Å; V578-Y608 VanDerWaalsContact CG1-OH 3.28Å; V578-Y608 WeakPolarHBondContact CG1-OH 3.41Å; V578-Y608 HydrophobicContact CG2-CD1 4.3Å; V578-Y608 HydrophobicContact CG2-CE1 3.71Å |
| 579 | E | 88.5 | Confident | 87.1 | Confident | 79 Ų | 79 | 21 Ų | 21 | 37% | 0.369 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.7 | -37.6 | -177.5 | -64.4 | -53.9 | 130.1 | 0 | 0 | 111.7 | L545 D576 E577 K582 L583 | L545-E579 HydrophobicContact CD1-CB 4.33Å; D576-E579 PolarHBondContact O-N 3.06Å; E577-E579 VanDerWaalsContact C-N 3.26Å; E577-E579 PolarHBondContact O-N 2.94Å; E579-K582 IonicContact OE1-NZ 3.66Å; E579-K582 PolarHBondContact OE1-NZ 3.49Å; E579-K582 IonicContact OE2-NZ 2.72Å; E579-L583 PolarHBondContact O-N 3.08Å |
| 580 | L | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -48.5 | 172.3 | 169.7 | 54.1 | 0 | 0 | 0 | 111 | T541 L557 A560 I564 E577 V578 K582 L583 L584 | T541-L580 HydrophobicContact CG2-CD1 4.08Å; T541-L580 HydrophobicContact CG2-CD2 4.38Å; L557-L580 HydrophobicContact CD1-CD1 3.06Å; L557-L580 HydrophobicContact CG-CD1 4.49Å; A560-L580 HydrophobicContact CB-CD2 3.81Å; I564-L580 HydrophobicContact CD1-CD2 3.42Å; I564-L580 VanDerWaalsContact CD1-CD2 3.42Å; I564-L580 HydrophobicContact CD1-CG 4.18Å; E577-L580 WeakPolarHBondContact O-CB 3.21Å; E577-L580 PolarHBondContact O-N 3.43Å; V578-L580 VanDerWaalsContact C-N 3.34Å; L580-K582 VanDerWaalsContact C-N 3.32Å; L580-K582 PolarHBondContact O-N 3.38Å; L580-L583 WeakPolarHBondContact O-CB 3.33Å; L580-L583 PolarHBondContact O-N 3.05Å; L580-L583 VanDerWaalsContact O-N 3.1Å; L580-L584 HydrophobicContact CD1-CD1 3.85Å; L580-L584 HydrophobicContact CD1-CG 4.12Å; L580-L584 HydrophobicContact CG-CD1 4.03Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 3.33Å |
| 581 | L | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 178.8 | -69.7 | 170 | 0 | 0 | 0 | 112.4 | I564 E577 V578 L583 L584 L585 V600 L603 I604 L607 | I564-L581 HydrophobicContact CG2-CD2 3.89Å; E577-L581 WeakPolarHBondContact O-CG 3.43Å; E577-L581 PolarHBondContact O-N 3.44Å; V578-L581 PolarHBondContact O-N 2.95Å; L581-L583 VanDerWaalsContact C-N 3.35Å; L581-L583 PolarHBondContact O-N 2.95Å; L581-L584 PolarHBondContact O-N 3.5Å; L581-L585 WeakPolarHBondContact O-CB 3.41Å; L581-L585 PolarHBondContact O-N 3.29Å; L581-V600 HydrophobicContact CB-CG1 4.24Å; L581-V600 HydrophobicContact CD2-CG1 4.24Å; L581-V600 WeakPolarHBondContact O-CG1 3.15Å; L581-L603 HydrophobicContact CD1-CB 3.99Å; L581-L603 HydrophobicContact CD2-CB 3.85Å; L581-L603 HydrophobicContact CD2-CD1 4.02Å; L581-I604 HydrophobicContact CB-CD1 4.01Å; L581-I604 HydrophobicContact CB-CG1 3.52Å; L581-I604 HydrophobicContact CD1-CG1 3.94Å; L581-I604 HydrophobicContact CG-CG1 4.29Å; L581-L607 HydrophobicContact CD1-CD2 4.24Å |
| 582 | K | 91 | Very high | 87.3 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 173.1 | -73.1 | 165 | -179 | 167.4 | 0 | 112.2 | F208 Y212 V578 E579 L580 L584 L585 R586 | F208-K582 WeakPolarHBondContact CZ-O 3.4Å; Y212-K582 HydrophobicContact CD1-CD 3.72Å; Y212-K582 HydrophobicContact CD1-CG 4.45Å; Y212-K582 HydrophobicContact CE1-CD 4Å; Y212-K582 HydrophobicContact CG-CD 4.14Å; Y212-K582 HydrophobicContact CG-CG 4.43Å; V578-K582 HydrophobicContact CG1-CD 4.11Å; V578-K582 VanDerWaalsContact CG1-CE 3.43Å; V578-K582 HydrophobicContact CG1-CG 4.38Å; V578-K582 VanDerWaalsContact O-CG 3.28Å; V578-K582 WeakPolarHBondContact O-CG 3.31Å; V578-K582 PolarHBondContact O-N 3.15Å; E579-K582 IonicContact OE1-NZ 3.66Å; E579-K582 PolarHBondContact OE1-NZ 3.49Å; E579-K582 IonicContact OE2-NZ 2.72Å; L580-K582 VanDerWaalsContact C-N 3.32Å; L580-K582 PolarHBondContact O-N 3.38Å; K582-L584 VanDerWaalsContact C-N 3.34Å; K582-L585 PolarHBondContact O-N 2.9Å; K582-R586 PolarHBondContact O-N 3.4Å; K582-R586 VanDerWaalsContact O-N 3.07Å |
| 583 | L | 89.2 | Confident | 87.2 | Confident | 17 Ų | 17 | 21.7 Ų | 21.7 | 9% | 0.089 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.9 | -179.8 | 66.3 | 0 | 0 | 0 | 111.2 | Q215 L545 L557 E579 L580 L581 R586 R587 | Q215-L583 WeakPolarHBondContact O-CD1 3.46Å; L545-L583 HydrophobicContact CD2-CD2 3.93Å; L557-L583 HydrophobicContact CD1-CD2 3.88Å; L557-L583 HydrophobicContact CD2-CD2 3.56Å; L557-L583 HydrophobicContact CG-CD2 4.4Å; E579-L583 PolarHBondContact O-N 3.08Å; L580-L583 WeakPolarHBondContact O-CB 3.33Å; L580-L583 PolarHBondContact O-N 3.05Å; L580-L583 VanDerWaalsContact O-N 3.1Å; L581-L583 VanDerWaalsContact C-N 3.35Å; L581-L583 PolarHBondContact O-N 2.95Å; L583-R586 WeakPolarHBondContact O-CB 3.44Å; L583-R586 PolarHBondContact O-N 3.23Å; L583-R587 PolarHBondContact O-N 3.38Å |
| 584 | L | 89.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -37.2 | 178.3 | -70.2 | 168.1 | 0 | 0 | 0 | 112.7 | S561 L565 L580 L581 K582 R586 R587 A588 V600 | S561-L584 WeakPolarHBondContact OG-CD2 3.47Å; L565-L584 HydrophobicContact CD1-CD1 3.93Å; L565-L584 HydrophobicContact CD1-CD2 4.4Å; L565-L584 HydrophobicContact CG-CD1 4.37Å; L580-L584 HydrophobicContact CD1-CD1 3.85Å; L580-L584 HydrophobicContact CD1-CG 4.12Å; L580-L584 HydrophobicContact CG-CD1 4.03Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 3.33Å; L581-L584 PolarHBondContact O-N 3.5Å; K582-L584 VanDerWaalsContact C-N 3.34Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R587 WeakPolarHBondContact O-CB 3.44Å; L584-R587 PolarHBondContact O-N 3.42Å; L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.11Å; L584-V600 HydrophobicContact CB-CG1 4.43Å; L584-V600 HydrophobicContact CB-CG2 3.93Å |
| 585 | L | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 173.8 | -171.9 | 56.9 | 0 | 0 | 0 | 110.7 | F208 L581 K582 R587 A588 V589 E597 V600 I604 F620 | F208-L585 HydrophobicContact CD2-CD2 3.89Å; F208-L585 HydrophobicContact CE1-CB 4.22Å; F208-L585 HydrophobicContact CE1-CD2 4.25Å; F208-L585 HydrophobicContact CE1-CG 4.04Å; F208-L585 HydrophobicContact CE2-CB 4.36Å; F208-L585 HydrophobicContact CE2-CD2 3.55Å; F208-L585 HydrophobicContact CE2-CG 4.18Å; F208-L585 HydrophobicContact CG-CD2 4.41Å; F208-L585 HydrophobicContact CZ-CB 3.77Å; F208-L585 HydrophobicContact CZ-CD2 3.74Å; F208-L585 HydrophobicContact CZ-CG 3.85Å; L581-L585 WeakPolarHBondContact O-CB 3.41Å; L581-L585 PolarHBondContact O-N 3.29Å; K582-L585 PolarHBondContact O-N 2.9Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.39Å; L585-A588 WeakPolarHBondContact O-CB 3.38Å; L585-A588 PolarHBondContact O-N 3.11Å; L585-V589 VanDerWaalsContact O-CG2 3.31Å; L585-V589 WeakPolarHBondContact O-CG2 3.42Å; L585-V589 PolarHBondContact O-N 3.47Å; L585-E597 HydrophobicContact CD1-CB 4.35Å; L585-E597 HydrophobicContact CD1-CG 3.57Å; L585-V600 HydrophobicContact CB-CB 4.49Å; L585-V600 HydrophobicContact CB-CG1 3.68Å; L585-V600 HydrophobicContact CD1-CB 4.35Å; L585-V600 HydrophobicContact CD1-CG1 4.3Å; L585-V600 HydrophobicContact CG-CG1 4.48Å; L585-I604 HydrophobicContact CD2-CD1 4.06Å; L585-F620 HydrophobicContact CD2-CD1 3.98Å; L585-F620 HydrophobicContact CD2-CE1 3.65Å |
| 586 | R | 89.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 22.4 Ų | 22.4 | 7% | 0.068 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.9 | -170.1 | -175.2 | -57.1 | 127.1 | 3.2 | 111.7 | F208 L209 Y212 P213 G214 Q215 A216 K582 L583 L584 V589 V590 | F208-R586 HydrophobicContact CE1-CB 4.11Å; L209-R586 HydrophobicContact CD2-CG 3.75Å; Y212-R586 PolarHBondContact O-NH2 3.48Å; P213-R586 VanDerWaalsContact C-NH2 3.32Å; P213-R586 PolarHBondContact O-NH2 3.23Å; G214-R586 VanDerWaalsContact C-NH1 3.35Å; G214-R586 WeakPolarHBondContact O-CD 3.47Å; G214-R586 PolarHBondContact O-NE 2.91Å; Q215-R586 PolarHBondContact O-NH1 3.07Å; A216-R586 HydrophobicContact CB-CG 4.16Å; K582-R586 PolarHBondContact O-N 3.4Å; K582-R586 VanDerWaalsContact O-N 3.07Å; L583-R586 WeakPolarHBondContact O-CB 3.44Å; L583-R586 PolarHBondContact O-N 3.23Å; L584-R586 VanDerWaalsContact C-N 3.34Å; R586-V589 PolarHBondContact O-N 3.24Å; R586-V590 WeakPolarHBondContact O-CG2 3.19Å; R586-V590 PolarHBondContact O-N 3.32Å |
| 587 | R | 87.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 20.9 Ų | 20.9 | 5% | 0.053 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 175 | -179.9 | 178.7 | 178.9 | 163.8 | -0.8 | 111.6 | G266 E558 L583 L584 L585 V589 V590 L591 | G266-R587 PolarHBondContact O-NE 3.32Å; G266-R587 PolarHBondContact O-NH2 3.24Å; E558-R587 IonicContact OE1-CZ 3.98Å; E558-R587 IonicContact OE1-NH1 3.61Å; E558-R587 PolarHBondContact OE1-NH1 3.19Å; E558-R587 IonicContact OE1-NH2 2.69Å; E558-R587 PolarHBondContact OE1-NH2 3.14Å; L583-R587 PolarHBondContact O-N 3.38Å; L584-R587 WeakPolarHBondContact O-CB 3.44Å; L584-R587 PolarHBondContact O-N 3.42Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.39Å; R587-V589 VanDerWaalsContact C-N 3.34Å; R587-V589 PolarHBondContact O-N 3.17Å; R587-V590 PolarHBondContact O-N 3.04Å; R587-L591 HydrophobicContact CG-CD1 3.83Å; R587-L591 HydrophobicContact CG-CG 4.36Å; R587-L591 WeakPolarHBondContact O-CB 3.07Å; R587-L591 WeakPolarHBondContact O-CG 3.4Å; R587-L591 PolarHBondContact O-N 3.09Å |
| 588 | A | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L584 L585 L591 G592 D593 L596 E597 | L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.11Å; L585-A588 WeakPolarHBondContact O-CB 3.38Å; L585-A588 PolarHBondContact O-N 3.11Å; A588-L591 PolarHBondContact O-N 3.44Å; A588-G592 PolarHBondContact O-N 3.49Å; A588-D593 PolarHBondContact O-N 3.23Å; A588-L596 HydrophobicContact CB-CB 4.02Å; A588-L596 HydrophobicContact CB-CD2 3.87Å; A588-L596 HydrophobicContact CB-CG 3.81Å; A588-E597 HydrophobicContact CB-CB 4.1Å |
| 589 | V | 87.7 | Confident | 87.6 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 177.1 | 174 | 0 | 0 | 0 | 0 | 111.7 | L167 Y205 L585 R586 R587 G592 | L167-V589 HydrophobicContact CD1-CG1 3.87Å; Y205-V589 HydrophobicContact CD1-CG1 4.01Å; Y205-V589 HydrophobicContact CD1-CG2 3.75Å; Y205-V589 HydrophobicContact CD2-CG1 4.21Å; Y205-V589 HydrophobicContact CE1-CG1 4.25Å; Y205-V589 HydrophobicContact CE1-CG2 3.63Å; Y205-V589 HydrophobicContact CE2-CG1 4.43Å; Y205-V589 HydrophobicContact CG-CG1 4Å; L585-V589 VanDerWaalsContact O-CG2 3.31Å; L585-V589 WeakPolarHBondContact O-CG2 3.42Å; L585-V589 PolarHBondContact O-N 3.47Å; R586-V589 PolarHBondContact O-N 3.24Å; R587-V589 VanDerWaalsContact C-N 3.34Å; R587-V589 PolarHBondContact O-N 3.17Å; V589-G592 PolarHBondContact O-N 2.88Å |
| 590 | V | 84.7 | Confident | 87.8 | Confident | 26 Ų | 26 | 16.8 Ų | 16.8 | 16% | 0.158 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 112 | L167 L184 A185 A216 R586 R587 G592 | L167-V590 HydrophobicContact CD1-CG2 4.18Å; L184-V590 HydrophobicContact CB-CG2 4.08Å; L184-V590 HydrophobicContact CD1-CG2 4.5Å; A185-V590 HydrophobicContact CB-CG1 4.27Å; A216-V590 HydrophobicContact CB-CB 4.19Å; A216-V590 HydrophobicContact CB-CG2 3.75Å; R586-V590 WeakPolarHBondContact O-CG2 3.19Å; R586-V590 PolarHBondContact O-N 3.32Å; R587-V590 PolarHBondContact O-N 3.04Å; V590-G592 VanDerWaalsContact C-N 3.26Å; V590-G592 PolarHBondContact O-N 2.91Å |
| 591 | L | 82.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 16.8 Ų | 16.8 | 41% | 0.414 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -74.5 | -16.5 | 176.6 | -67.6 | 175.2 | 0 | 0 | 0 | 113.1 | R587 A588 D593 | R587-L591 HydrophobicContact CG-CD1 3.83Å; R587-L591 HydrophobicContact CG-CG 4.36Å; R587-L591 WeakPolarHBondContact O-CB 3.07Å; R587-L591 WeakPolarHBondContact O-CG 3.4Å; R587-L591 PolarHBondContact O-N 3.09Å; A588-L591 PolarHBondContact O-N 3.44Å; L591-D593 HydrophobicContact CB-CB 4.37Å; L591-D593 PolarHBondContact O-N 3.3Å |
| 592 | G | 80.8 | Confident | 87.8 | Confident | 54 Ų | 54 | 17.5 Ų | 17.5 | 56% | 0.557 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 21.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A588 V589 V590 K594 | A588-G592 PolarHBondContact O-N 3.49Å; V589-G592 PolarHBondContact O-N 2.88Å; V590-G592 VanDerWaalsContact C-N 3.26Å; V590-G592 PolarHBondContact O-N 2.91Å; G592-K594 PolarHBondContact O-N 3.01Å |
| 593 | D | 84.6 | Confident | 87.8 | Confident | 21 Ų | 21 | 16.7 Ų | 16.7 | 11% | 0.112 | 10% | 0.096 | C | C | . | . | trans | -87.2 | 94.8 | -178.9 | -171.7 | -18.5 | 0 | 0 | 0 | 110.4 | A588 L591 L595 L596 E597 | A588-D593 PolarHBondContact O-N 3.23Å; L591-D593 HydrophobicContact CB-CB 4.37Å; L591-D593 PolarHBondContact O-N 3.3Å; D593-L595 PolarHBondContact O-N 2.69Å; D593-L595 PolarHBondContact OD1-N 3.4Å; D593-L595 VanDerWaalsContact OD1-N 3.08Å; D593-L596 HydrophobicContact CB-CB 3.97Å; D593-L596 PolarHBondContact O-N 3.34Å; D593-L596 PolarHBondContact OD1-N 3.31Å; D593-E597 WeakPolarHBondContact O-CB 3.44Å; D593-E597 PolarHBondContact O-N 3.16Å | ||
| 594 | K | 84.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 15.9 Ų | 15.9 | 28% | 0.283 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -64.5 | -26.2 | -179.3 | -66.4 | -175.8 | 179.5 | -177.7 | 0 | 113.5 | G592 E597 A598 L627 L631 | G592-K594 PolarHBondContact O-N 3.01Å; K594-E597 WeakPolarHBondContact O-CB 3.12Å; K594-A598 WeakPolarHBondContact O-CB 3.49Å; K594-A598 PolarHBondContact O-N 2.91Å; K594-L627 HydrophobicContact CB-CD2 4.45Å; K594-L631 HydrophobicContact CB-CD2 4.04Å; K594-L631 HydrophobicContact CD-CD2 4.16Å |
| 595 | L | 84.6 | Confident | 87.9 | Confident | 28 Ų | 28 | 15.8 Ų | 15.8 | 15% | 0.147 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -79.4 | -41.7 | -178.5 | -67.5 | 171.2 | 0 | 0 | 0 | 110.8 | A229 I230 V301 D593 E597 A598 R599 L631 | A229-L595 HydrophobicContact CB-CD1 3.47Å; A229-L595 VanDerWaalsContact CB-CD1 3.47Å; I230-L595 HydrophobicContact CD1-CB 4.25Å; V301-L595 HydrophobicContact CG1-CD2 3.17Å; D593-L595 PolarHBondContact O-N 2.69Å; D593-L595 PolarHBondContact OD1-N 3.4Å; D593-L595 VanDerWaalsContact OD1-N 3.08Å; L595-E597 VanDerWaalsContact C-N 3.3Å; L595-A598 PolarHBondContact O-N 3.14Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 2.97Å; L595-L631 HydrophobicContact CD2-CD1 3.84Å; L595-L631 HydrophobicContact CD2-CD2 4.41Å |
| 596 | L | 86.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 168.6 | -175.6 | 63.7 | 0 | 0 | 0 | 111.1 | M264 L565 A588 D593 A598 R599 V600 | M264-L596 HydrophobicContact CE-CB 4.4Å; M264-L596 HydrophobicContact CE-CD1 3.96Å; L565-L596 HydrophobicContact CD1-CD1 3.73Å; L565-L596 HydrophobicContact CD2-CD1 4.48Å; A588-L596 HydrophobicContact CB-CB 4.02Å; A588-L596 HydrophobicContact CB-CD2 3.87Å; A588-L596 HydrophobicContact CB-CG 3.81Å; D593-L596 HydrophobicContact CB-CB 3.97Å; D593-L596 PolarHBondContact O-N 3.34Å; D593-L596 PolarHBondContact OD1-N 3.31Å; L596-A598 PolarHBondContact O-N 2.87Å; L596-R599 PolarHBondContact O-N 3.08Å; L596-V600 HydrophobicContact CD1-CG2 4.21Å; L596-V600 HydrophobicContact CG-CG2 4.39Å; L596-V600 WeakPolarHBondContact O-CB 3.33Å; L596-V600 WeakPolarHBondContact O-CG2 3.29Å; L596-V600 PolarHBondContact O-N 2.96Å |
| 597 | E | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.7 | -166.6 | -172.5 | 146.5 | 0 | 0 | 111.2 | Y205 L585 A588 D593 K594 L595 V600 C601 R623 L627 | Y205-E597 WeakPolarHBondContact CE1-OE1 3.47Å; Y205-E597 WeakPolarHBondContact CE1-OE2 3.31Å; Y205-E597 PolarHBondContact OH-OE2 3.01Å; L585-E597 HydrophobicContact CD1-CB 4.35Å; L585-E597 HydrophobicContact CD1-CG 3.57Å; A588-E597 HydrophobicContact CB-CB 4.1Å; D593-E597 WeakPolarHBondContact O-CB 3.44Å; D593-E597 PolarHBondContact O-N 3.16Å; K594-E597 WeakPolarHBondContact O-CB 3.12Å; L595-E597 VanDerWaalsContact C-N 3.3Å; E597-V600 PolarHBondContact O-N 3.01Å; E597-C601 WeakPolarHBondContact O-CB 3.47Å; E597-C601 PolarHBondContact O-N 3.08Å; E597-C601 PolarHBondContact O-SG 3.34Å; E597-C601 VanDerWaalsContact O-SG 3.41Å; E597-R623 IonicContact OE1-CZ 3.63Å; E597-R623 IonicContact OE1-NE 3.82Å; E597-R623 PolarHBondContact OE1-NE 3.34Å; E597-R623 IonicContact OE1-NH2 2.76Å; E597-R623 PolarHBondContact OE1-NH2 2.73Å; E597-R623 IonicContact OE2-NH2 3.95Å; E597-L627 HydrophobicContact CB-CD1 4.1Å; E597-L627 HydrophobicContact CG-CD1 3.8Å |
| 598 | A | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F302 K594 L595 L596 V600 C601 Y602 L624 L627 | F302-A598 HydrophobicContact CB-CB 4.33Å; F302-A598 HydrophobicContact CD1-CB 3.6Å; F302-A598 HydrophobicContact CD2-CB 3.83Å; F302-A598 HydrophobicContact CE1-CB 3.81Å; F302-A598 HydrophobicContact CE2-CB 4.03Å; F302-A598 HydrophobicContact CG-CB 3.63Å; F302-A598 HydrophobicContact CZ-CB 4.02Å; K594-A598 WeakPolarHBondContact O-CB 3.49Å; K594-A598 PolarHBondContact O-N 2.91Å; L595-A598 PolarHBondContact O-N 3.14Å; L596-A598 PolarHBondContact O-N 2.87Å; A598-V600 VanDerWaalsContact C-N 3.34Å; A598-V600 PolarHBondContact O-N 3.27Å; A598-C601 PolarHBondContact O-N 2.96Å; A598-Y602 PolarHBondContact O-N 3.03Å; A598-L624 HydrophobicContact CB-CD1 4.09Å; A598-L624 VanDerWaalsContact O-CD1 3.23Å; A598-L624 WeakPolarHBondContact O-CD1 3.49Å; A598-L627 HydrophobicContact CB-CB 4.37Å; A598-L627 HydrophobicContact CB-CD1 4.03Å |
| 599 | R | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 176 | -171.5 | 89.7 | -177.4 | 138 | 11 | 111.3 | M264 F302 E307 L565 L567 L595 L596 Y602 L603 | M264-R599 HydrophobicContact CE-CB 4.38Å; M264-R599 HydrophobicContact CE-CG 4.47Å; F302-R599 WeakPolarHBondContact O-CD 3.39Å; F302-R599 PolarHBondContact O-NH1 3.44Å; E307-R599 IonicContact OE1-CZ 3.46Å; E307-R599 IonicContact OE1-NH1 4Å; E307-R599 PolarHBondContact OE1-NH1 3.02Å; E307-R599 IonicContact OE1-NH2 3.61Å; E307-R599 PolarHBondContact OE1-NH2 3.06Å; E307-R599 IonicContact OE2-CZ 2.78Å; E307-R599 IonicContact OE2-NH1 3.5Å; E307-R599 PolarHBondContact OE2-NH1 3.04Å; E307-R599 IonicContact OE2-NH2 2.7Å; L565-R599 HydrophobicContact CD2-CG 3.79Å; L565-R599 PolarHBondContact O-NE 3.09Å; L565-R599 PolarHBondContact O-NH2 3.27Å; L567-R599 PolarHBondContact O-NH2 2.79Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 2.97Å; L596-R599 PolarHBondContact O-N 3.08Å; R599-Y602 WeakPolarHBondContact O-CB 3.02Å; R599-Y602 PolarHBondContact O-N 3.41Å; R599-L603 WeakPolarHBondContact O-CG 3.46Å; R599-L603 PolarHBondContact O-N 3.26Å; R599-L603 VanDerWaalsContact O-N 3.15Å |
| 600 | V | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | L565 L581 L584 L585 L596 E597 A598 Y602 L603 I604 | L565-V600 HydrophobicContact CD2-CG2 3.78Å; L581-V600 HydrophobicContact CB-CG1 4.24Å; L581-V600 HydrophobicContact CD2-CG1 4.24Å; L581-V600 WeakPolarHBondContact O-CG1 3.15Å; L584-V600 HydrophobicContact CB-CG1 4.43Å; L584-V600 HydrophobicContact CB-CG2 3.93Å; L585-V600 HydrophobicContact CB-CB 4.49Å; L585-V600 HydrophobicContact CB-CG1 3.68Å; L585-V600 HydrophobicContact CD1-CB 4.35Å; L585-V600 HydrophobicContact CD1-CG1 4.3Å; L585-V600 HydrophobicContact CG-CG1 4.48Å; L596-V600 HydrophobicContact CD1-CG2 4.21Å; L596-V600 HydrophobicContact CG-CG2 4.39Å; L596-V600 WeakPolarHBondContact O-CB 3.33Å; L596-V600 WeakPolarHBondContact O-CG2 3.29Å; L596-V600 PolarHBondContact O-N 2.96Å; E597-V600 PolarHBondContact O-N 3.01Å; A598-V600 VanDerWaalsContact C-N 3.34Å; A598-V600 PolarHBondContact O-N 3.27Å; V600-Y602 VanDerWaalsContact C-N 3.31Å; V600-Y602 PolarHBondContact O-N 3.2Å; V600-L603 PolarHBondContact O-N 3.23Å; V600-I604 HydrophobicContact CG1-CD1 3.85Å; V600-I604 HydrophobicContact CG1-CG1 4.27Å; V600-I604 WeakPolarHBondContact O-CG1 3.42Å; V600-I604 PolarHBondContact O-N 2.89Å |
| 601 | C | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 173.9 | -81.5 | 0 | 0 | 0 | 0 | 111.7 | E597 A598 S605 L624 | E597-C601 WeakPolarHBondContact O-CB 3.47Å; E597-C601 PolarHBondContact O-N 3.08Å; E597-C601 PolarHBondContact O-SG 3.34Å; E597-C601 VanDerWaalsContact O-SG 3.41Å; A598-C601 PolarHBondContact O-N 2.96Å; C601-S605 WeakPolarHBondContact O-CB 3.4Å; C601-S605 PolarHBondContact O-N 3.22Å; C601-S605 PolarHBondContact O-OG 2.98Å; C601-L624 HydrophobicContact CB-CB 4.35Å; C601-L624 HydrophobicContact CB-CD1 4.15Å |
| 602 | Y | 90.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.7 | 163.5 | -110.8 | 0 | 0 | 0 | 112.8 | L303 E307 L311 A598 R599 V600 S605 S606 | L303-Y602 HydrophobicContact CD2-CD1 3.4Å; L303-Y602 HydrophobicContact CD2-CD2 3.84Å; L303-Y602 HydrophobicContact CD2-CE1 3.64Å; L303-Y602 HydrophobicContact CD2-CE2 4.07Å; L303-Y602 HydrophobicContact CD2-CG 3.49Å; L303-Y602 VanDerWaalsContact CD2-CG 3.49Å; E307-Y602 HydrophobicContact CB-CE1 4.34Å; E307-Y602 HydrophobicContact CG-CE1 4.21Å; L311-Y602 HydrophobicContact CD1-CD2 3.78Å; L311-Y602 HydrophobicContact CD1-CE2 3.51Å; L311-Y602 HydrophobicContact CD2-CD2 4.23Å; L311-Y602 HydrophobicContact CD2-CE2 3.74Å; L311-Y602 HydrophobicContact CG-CD2 4.28Å; L311-Y602 HydrophobicContact CG-CE2 3.6Å; A598-Y602 PolarHBondContact O-N 3.03Å; R599-Y602 WeakPolarHBondContact O-CB 3.02Å; R599-Y602 PolarHBondContact O-N 3.41Å; V600-Y602 VanDerWaalsContact C-N 3.31Å; V600-Y602 PolarHBondContact O-N 3.2Å; Y602-S605 WeakPolarHBondContact O-CB 2.99Å; Y602-S605 PolarHBondContact O-N 3.5Å; Y602-S606 VanDerWaalsContact CE2-OG 3.22Å; Y602-S606 WeakPolarHBondContact CE2-OG 3.43Å; Y602-S606 WeakPolarHBondContact O-CB 3.21Å; Y602-S606 PolarHBondContact O-N 2.91Å; Y602-S606 PolarHBondContact O-OG 2.79Å |
| 603 | L | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.3 | -40.3 | -178.9 | -67.5 | 174.6 | 0 | 0 | 0 | 112.5 | I564 L565 H570 F572 L581 R599 V600 S605 S606 L607 | I564-L603 HydrophobicContact CG2-CD1 3.58Å; L565-L603 HydrophobicContact CD2-CD1 3.69Å; H570-L603 HydrophobicContact CB-CD2 4.47Å; F572-L603 HydrophobicContact CZ-CD2 4.3Å; F572-L603 VanDerWaalsContact CZ-O 3.24Å; F572-L603 WeakPolarHBondContact CZ-O 3.45Å; L581-L603 HydrophobicContact CD1-CB 3.99Å; L581-L603 HydrophobicContact CD2-CB 3.85Å; L581-L603 HydrophobicContact CD2-CD1 4.02Å; R599-L603 WeakPolarHBondContact O-CG 3.46Å; R599-L603 PolarHBondContact O-N 3.26Å; R599-L603 VanDerWaalsContact O-N 3.15Å; V600-L603 PolarHBondContact O-N 3.23Å; L603-S605 VanDerWaalsContact C-N 3.32Å; L603-S605 PolarHBondContact O-N 3.28Å; L603-S606 PolarHBondContact O-N 2.96Å; L603-L607 WeakPolarHBondContact O-CB 3.48Å; L603-L607 PolarHBondContact O-N 3.47Å |
| 604 | I | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 173.9 | -68.9 | 173.1 | 0 | 0 | 0 | 110 | L581 L585 V600 S606 L607 Y608 F620 | L581-I604 HydrophobicContact CB-CD1 4.01Å; L581-I604 HydrophobicContact CB-CG1 3.52Å; L581-I604 HydrophobicContact CD1-CG1 3.94Å; L581-I604 HydrophobicContact CG-CG1 4.29Å; L585-I604 HydrophobicContact CD2-CD1 4.06Å; V600-I604 HydrophobicContact CG1-CD1 3.85Å; V600-I604 HydrophobicContact CG1-CG1 4.27Å; V600-I604 WeakPolarHBondContact O-CG1 3.42Å; V600-I604 PolarHBondContact O-N 2.89Å; I604-S606 PolarHBondContact O-N 3.05Å; I604-L607 PolarHBondContact O-N 3.25Å; I604-Y608 HydrophobicContact CG2-CD2 3.7Å; I604-Y608 HydrophobicContact CG2-CE2 3.45Å; I604-Y608 VanDerWaalsContact CG2-CE2 3.45Å; I604-Y608 PolarHBondContact O-N 2.83Å; I604-F620 HydrophobicContact CB-CG 4.42Å; I604-F620 HydrophobicContact CD1-CD1 4.11Å; I604-F620 HydrophobicContact CD1-CE1 3.94Å; I604-F620 HydrophobicContact CG2-CB 4.37Å; I604-F620 HydrophobicContact CG2-CD1 4.05Å; I604-F620 HydrophobicContact CG2-CD2 3.62Å; I604-F620 HydrophobicContact CG2-CE1 4.23Å; I604-F620 HydrophobicContact CG2-CE2 3.84Å; I604-F620 HydrophobicContact CG2-CG 3.74Å; I604-F620 HydrophobicContact CG2-CZ 4.13Å |
| 605 | S | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 177.6 | -80.8 | 0 | 0 | 0 | 0 | 112.2 | C601 Y602 L603 Y608 L609 F620 F621 | C601-S605 WeakPolarHBondContact O-CB 3.4Å; C601-S605 PolarHBondContact O-N 3.22Å; C601-S605 PolarHBondContact O-OG 2.98Å; Y602-S605 WeakPolarHBondContact O-CB 2.99Å; Y602-S605 PolarHBondContact O-N 3.5Å; L603-S605 VanDerWaalsContact C-N 3.32Å; L603-S605 PolarHBondContact O-N 3.28Å; S605-Y608 PolarHBondContact O-N 3.26Å; S605-L609 WeakPolarHBondContact O-CG 3.43Å; S605-L609 PolarHBondContact O-N 3Å; S605-F620 WeakPolarHBondContact OG-CB 3.37Å; S605-F621 WeakPolarHBondContact OG-CD2 3.23Å; S605-F621 PolarHBondContact OG-N 3.19Å |
| 606 | S | 88.9 | Confident | 87.7 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 12% | 0.119 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Y602 L603 I604 Y608 L609 V610 | Y602-S606 VanDerWaalsContact CE2-OG 3.22Å; Y602-S606 WeakPolarHBondContact CE2-OG 3.43Å; Y602-S606 WeakPolarHBondContact O-CB 3.21Å; Y602-S606 PolarHBondContact O-N 2.91Å; Y602-S606 PolarHBondContact O-OG 2.79Å; L603-S606 PolarHBondContact O-N 2.96Å; I604-S606 PolarHBondContact O-N 3.05Å; S606-Y608 PolarHBondContact O-N 3.15Å; S606-L609 PolarHBondContact O-N 2.86Å; S606-V610 WeakPolarHBondContact O-CG2 3.48Å; S606-V610 PolarHBondContact O-N 3.42Å |
| 607 | L | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 176 | -177.7 | 43.5 | 0 | 0 | 0 | 111.8 | L455 F572 E577 V578 L581 L603 I604 L609 V610 L611 | L455-L607 HydrophobicContact CD1-CD1 4.44Å; F572-L607 HydrophobicContact CB-CD1 3.81Å; F572-L607 HydrophobicContact CD1-CB 3.84Å; F572-L607 HydrophobicContact CD1-CD1 3.69Å; F572-L607 HydrophobicContact CD1-CD2 3.79Å; F572-L607 HydrophobicContact CD1-CG 3.98Å; F572-L607 HydrophobicContact CD2-CB 4.34Å; F572-L607 HydrophobicContact CD2-CD1 4.27Å; F572-L607 HydrophobicContact CE1-CB 3.59Å; F572-L607 HydrophobicContact CE1-CD1 4.37Å; F572-L607 HydrophobicContact CE1-CD2 4Å; F572-L607 HydrophobicContact CE1-CG 4.2Å; F572-L607 HydrophobicContact CE2-CB 4.12Å; F572-L607 HydrophobicContact CG-CB 4.22Å; F572-L607 HydrophobicContact CG-CD1 3.65Å; F572-L607 HydrophobicContact CG-CG 4.35Å; F572-L607 HydrophobicContact CZ-CB 3.74Å; E577-L607 HydrophobicContact CB-CD2 3.92Å; V578-L607 HydrophobicContact CB-CD2 4.27Å; V578-L607 HydrophobicContact CG2-CD2 3.27Å; V578-L607 HydrophobicContact CG2-CG 3.74Å; L581-L607 HydrophobicContact CD1-CD2 4.24Å; L603-L607 WeakPolarHBondContact O-CB 3.48Å; L603-L607 PolarHBondContact O-N 3.47Å; I604-L607 PolarHBondContact O-N 3.25Å; L607-L609 VanDerWaalsContact C-N 3.35Å; L607-L609 PolarHBondContact O-N 2.71Å; L607-V610 PolarHBondContact O-N 3.23Å; L607-L611 HydrophobicContact CD1-CD1 3.8Å; L607-L611 HydrophobicContact CD1-CG 4.05Å; L607-L611 HydrophobicContact CG-CD1 3.97Å; L607-L611 WeakPolarHBondContact O-CB 3.47Å; L607-L611 VanDerWaalsContact O-CG 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.88Å |
| 608 | Y | 89.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | 177.9 | -71.1 | -28 | 0 | 0 | 0 | 113.5 | V578 I604 S605 S606 L611 K612 K613 D616 T617 F620 | V578-Y608 HydrophobicContact CG1-CE1 3.91Å; V578-Y608 VanDerWaalsContact CG1-OH 3.28Å; V578-Y608 WeakPolarHBondContact CG1-OH 3.41Å; V578-Y608 HydrophobicContact CG2-CD1 4.3Å; V578-Y608 HydrophobicContact CG2-CE1 3.71Å; I604-Y608 HydrophobicContact CG2-CD2 3.7Å; I604-Y608 HydrophobicContact CG2-CE2 3.45Å; I604-Y608 VanDerWaalsContact CG2-CE2 3.45Å; I604-Y608 PolarHBondContact O-N 2.83Å; S605-Y608 PolarHBondContact O-N 3.26Å; S606-Y608 PolarHBondContact O-N 3.15Å; Y608-L611 HydrophobicContact CD1-CD1 4.33Å; Y608-L611 CarbonylContact O-C 3.6Å; Y608-L611 PolarHBondContact O-N 2.79Å; Y608-K612 PolarHBondContact O-N 3.29Å; Y608-K612 VanDerWaalsContact O-N 3.07Å; Y608-K613 HydrophobicContact CD1-CB 4.35Å; Y608-K613 HydrophobicContact CD1-CD 4.29Å; Y608-K613 HydrophobicContact CE1-CD 4.47Å; Y608-K613 PolarHBondContact O-N 3.45Å; Y608-D616 HydrophobicContact CD2-CB 3.96Å; Y608-D616 HydrophobicContact CE2-CB 3.76Å; Y608-D616 HydrophobicContact CG-CB 4.47Å; Y608-T617 WeakPolarHBondContact CB-OG1 3.32Å; Y608-F620 HydrophobicContact CD2-CD2 4.36Å; Y608-F620 HydrophobicContact CE2-CD2 4.03Å; Y608-F620 AromaticContact CE2-CE2 3.77Å; Y608-F620 HydrophobicContact CE2-CE2 3.77Å |
| 609 | L | 85.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 171.1 | -73.9 | 176.7 | 0 | 0 | 0 | 111.3 | S605 S606 L607 L611 K612 T617 F621 W650 | S605-L609 WeakPolarHBondContact O-CG 3.43Å; S605-L609 PolarHBondContact O-N 3Å; S606-L609 PolarHBondContact O-N 2.86Å; L607-L609 VanDerWaalsContact C-N 3.35Å; L607-L609 PolarHBondContact O-N 2.71Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.36Å; L609-K612 PolarHBondContact O-N 3.18Å; L609-T617 HydrophobicContact CD2-CG2 4.05Å; L609-T617 HydrophobicContact CG-CG2 4.12Å; L609-F621 HydrophobicContact CD1-CE2 3.75Å; L609-F621 HydrophobicContact CD1-CZ 3.66Å; L609-F621 HydrophobicContact CG-CE2 4.09Å; L609-F621 HydrophobicContact CG-CZ 4.48Å; L609-W650 HydrophobicContact CD2-CZ3 4.06Å |
| 610 | V | 84.9 | Confident | 88.1 | Confident | 72 Ų | 72 | 34.3 Ų | 34.3 | 44% | 0.436 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61 | -40.3 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L455 F572 S606 L607 K612 | L455-V610 HydrophobicContact CD2-CG1 3.53Å; F572-V610 HydrophobicContact CD2-CG2 4.37Å; S606-V610 WeakPolarHBondContact O-CG2 3.48Å; S606-V610 PolarHBondContact O-N 3.42Å; L607-V610 PolarHBondContact O-N 3.23Å; V610-K612 PolarHBondContact O-N 3.36Å |
| 611 | L | 87.1 | Confident | 88 | Confident | 44 Ų | 44 | 34.3 Ų | 34.3 | 23% | 0.23 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.5 | 176 | -69.1 | 170.8 | 0 | 0 | 0 | 114.3 | L455 L607 Y608 L609 K613 | L455-L611 HydrophobicContact CD1-CD2 4.33Å; L455-L611 HydrophobicContact CD2-CD2 3.75Å; L455-L611 HydrophobicContact CD2-CG 4.3Å; L455-L611 HydrophobicContact CG-CD2 4.29Å; L607-L611 HydrophobicContact CD1-CD1 3.8Å; L607-L611 HydrophobicContact CD1-CG 4.05Å; L607-L611 HydrophobicContact CG-CD1 3.97Å; L607-L611 WeakPolarHBondContact O-CB 3.47Å; L607-L611 VanDerWaalsContact O-CG 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.88Å; Y608-L611 HydrophobicContact CD1-CD1 4.33Å; Y608-L611 CarbonylContact O-C 3.6Å; Y608-L611 PolarHBondContact O-N 2.79Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.36Å; L611-K613 HydrophobicContact CB-CD 4.48Å; L611-K613 HydrophobicContact CB-CG 4.17Å; L611-K613 PolarHBondContact O-N 3.13Å |
| 612 | K | 83.6 | Confident | 87.9 | Confident | 182 Ų | 182 | 34.3 Ų | 34.3 | 79% | 0.791 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.5 | -174.8 | -57.8 | -179.5 | 178.1 | 178.9 | 0 | 114.2 | Y608 L609 V610 T614 | Y608-K612 PolarHBondContact O-N 3.29Å; Y608-K612 VanDerWaalsContact O-N 3.07Å; L609-K612 PolarHBondContact O-N 3.18Å; V610-K612 PolarHBondContact O-N 3.36Å; K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 PolarHBondContact O-N 2.69Å; K612-T614 VanDerWaalsContact O-N 3.15Å |
| 613 | K | 85.9 | Confident | 87.9 | Confident | 107 Ų | 107 | 34.2 Ų | 34.2 | 47% | 0.465 | 17% | 0.169 | S | C | . | . | trans | -88.6 | 60.8 | 178.2 | -69.7 | -172.2 | 177.6 | -176.8 | 0 | 112 | Y608 L611 E615 D616 T617 | Y608-K613 HydrophobicContact CD1-CB 4.35Å; Y608-K613 HydrophobicContact CD1-CD 4.29Å; Y608-K613 HydrophobicContact CE1-CD 4.47Å; Y608-K613 PolarHBondContact O-N 3.45Å; L611-K613 HydrophobicContact CB-CD 4.48Å; L611-K613 HydrophobicContact CB-CG 4.17Å; L611-K613 PolarHBondContact O-N 3.13Å; K613-E615 PolarHBondContact O-N 2.93Å; K613-D616 PolarHBondContact O-N 3.49Å; K613-D616 VanDerWaalsContact O-N 3.16Å; K613-T617 PolarHBondContact O-N 2.85Å; K613-T617 PolarHBondContact O-OG1 3.36Å | ||
| 614 | T | 79.6 | Confident | 87.8 | Confident | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.7 | -30.4 | -174.5 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | K612 W650 L651 | K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 PolarHBondContact O-N 2.69Å; K612-T614 VanDerWaalsContact O-N 3.15Å; T614-W650 HydrophobicContact CG2-CH2 3.64Å; T614-W650 HydrophobicContact CG2-CZ3 4.03Å; T614-L651 HydrophobicContact CG2-CD2 4.21Å |
| 615 | E | 80.4 | Confident | 87.7 | Confident | 134 Ų | 134 | 34.7 Ų | 34.7 | 63% | 0.626 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -71.4 | -36.1 | -178.5 | -62.3 | -160 | 155.1 | 0 | 0 | 114.8 | K613 K655 | K613-E615 PolarHBondContact O-N 2.93Å; E615-K655 PolarHBondContact O-NZ 3.34Å |
| 616 | D | 85.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 36 Ų | 36 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -83.5 | -21.3 | 179.9 | -76.2 | -44.7 | 0 | 0 | 0 | 111.6 | K211 Y608 K613 F620 | K211-D616 IonicContact NZ-OD1 3.8Å; K211-D616 PolarHBondContact NZ-OD1 2.9Å; Y608-D616 HydrophobicContact CD2-CB 3.96Å; Y608-D616 HydrophobicContact CE2-CB 3.76Å; Y608-D616 HydrophobicContact CG-CB 4.47Å; K613-D616 PolarHBondContact O-N 3.49Å; K613-D616 VanDerWaalsContact O-N 3.16Å; D616-F620 VanDerWaalsContact O-CD2 3.23Å; D616-F620 WeakPolarHBondContact O-CD2 3.46Å; D616-F620 WeakPolarHBondContact O-CE2 3.33Å |
| 617 | T | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | Y608 L609 K613 F620 F621 L651 | Y608-T617 WeakPolarHBondContact CB-OG1 3.32Å; L609-T617 HydrophobicContact CD2-CG2 4.05Å; L609-T617 HydrophobicContact CG-CG2 4.12Å; K613-T617 PolarHBondContact O-N 2.85Å; K613-T617 PolarHBondContact O-OG1 3.36Å; T617-F620 PolarHBondContact O-N 3.36Å; T617-F621 HydrophobicContact CG2-CD2 3.18Å; T617-F621 HydrophobicContact CG2-CE2 3.34Å; T617-F621 HydrophobicContact CG2-CG 4.35Å; T617-F621 PolarHBondContact O-N 3.43Å; T617-F621 VanDerWaalsContact O-N 3.13Å; T617-L651 HydrophobicContact CG2-CD1 4.06Å; T617-L651 HydrophobicContact CG2-CD2 4.41Å |
| 618 | L | 89.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | -165.8 | -177.8 | 137.9 | 0 | 0 | 0 | 114.7 | F620 F621 E622 L651 Y652 K655 | L618-F620 VanDerWaalsContact C-N 3.29Å; L618-F620 PolarHBondContact O-N 2.97Å; L618-F621 PolarHBondContact O-N 3.09Å; L618-E622 WeakPolarHBondContact CD2-OE1 3.41Å; L618-E622 WeakPolarHBondContact O-CG 3.3Å; L618-E622 PolarHBondContact O-N 3.49Å; L618-L651 HydrophobicContact CD1-CB 4.06Å; L618-Y652 HydrophobicContact CD1-CD1 3.69Å; L618-Y652 HydrophobicContact CD1-CE1 3.62Å; L618-Y652 HydrophobicContact CD2-CE1 4.3Å; L618-Y652 HydrophobicContact CG-CE1 4.21Å; L618-K655 HydrophobicContact CD1-CD 4.26Å; L618-K655 HydrophobicContact CD1-CG 4.39Å |
| 619 | P | 90.7 | Very high | 86.7 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | 179 | -23.4 | 34.7 | 0 | 0 | 0 | 114.2 | W82 F204 W207 R623 | W82-P619 HydrophobicContact CH2-CB 3.92Å; W82-P619 HydrophobicContact CH2-CG 4.38Å; W82-P619 HydrophobicContact CZ2-CB 4.41Å; F204-P619 HydrophobicContact CE2-CB 4.45Å; W207-P619 HydrophobicContact CH2-CB 3.47Å; W207-P619 VanDerWaalsContact CH2-CB 3.47Å; W207-P619 HydrophobicContact CH2-CG 3.72Å; W207-P619 HydrophobicContact CZ2-CB 4.09Å; W207-P619 HydrophobicContact CZ2-CG 3.93Å; W207-P619 HydrophobicContact CZ3-CB 3.8Å; P619-R623 WeakPolarHBondContact O-CB 3.1Å; P619-R623 PolarHBondContact O-N 2.9Å; P619-R623 VanDerWaalsContact O-N 3.11Å |
| 620 | F | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.1 | -34.1 | 179.3 | -60 | -79.1 | 0 | 0 | 0 | 111.6 | W207 F208 Y212 L585 I604 S605 Y608 D616 T617 L618 L624 | W207-F620 HydrophobicContact CH2-CZ 4.49Å; F208-F620 HydrophobicContact CD2-CE1 4.11Å; F208-F620 HydrophobicContact CD2-CZ 4.45Å; F208-F620 HydrophobicContact CE2-CE1 4.19Å; Y212-F620 HydrophobicContact CE2-CZ 4.06Å; L585-F620 HydrophobicContact CD2-CD1 3.98Å; L585-F620 HydrophobicContact CD2-CE1 3.65Å; I604-F620 HydrophobicContact CB-CG 4.42Å; I604-F620 HydrophobicContact CD1-CD1 4.11Å; I604-F620 HydrophobicContact CD1-CE1 3.94Å; I604-F620 HydrophobicContact CG2-CB 4.37Å; I604-F620 HydrophobicContact CG2-CD1 4.05Å; I604-F620 HydrophobicContact CG2-CD2 3.62Å; I604-F620 HydrophobicContact CG2-CE1 4.23Å; I604-F620 HydrophobicContact CG2-CE2 3.84Å; I604-F620 HydrophobicContact CG2-CG 3.74Å; I604-F620 HydrophobicContact CG2-CZ 4.13Å; S605-F620 WeakPolarHBondContact OG-CB 3.37Å; Y608-F620 HydrophobicContact CD2-CD2 4.36Å; Y608-F620 HydrophobicContact CE2-CD2 4.03Å; Y608-F620 AromaticContact CE2-CE2 3.77Å; Y608-F620 HydrophobicContact CE2-CE2 3.77Å; D616-F620 VanDerWaalsContact O-CD2 3.23Å; D616-F620 WeakPolarHBondContact O-CD2 3.46Å; D616-F620 WeakPolarHBondContact O-CE2 3.33Å; T617-F620 PolarHBondContact O-N 3.36Å; L618-F620 VanDerWaalsContact C-N 3.29Å; L618-F620 PolarHBondContact O-N 2.97Å; F620-L624 VanDerWaalsContact O-CB 3.3Å; F620-L624 WeakPolarHBondContact O-CB 3.36Å; F620-L624 PolarHBondContact O-N 3.21Å |
| 621 | F | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 171.7 | -101.4 | -88.7 | 0 | 0 | 0 | 112.6 | S605 L609 T617 L618 R623 L624 Q625 L644 L647 L648 L651 | S605-F621 WeakPolarHBondContact OG-CD2 3.23Å; S605-F621 PolarHBondContact OG-N 3.19Å; L609-F621 HydrophobicContact CD1-CE2 3.75Å; L609-F621 HydrophobicContact CD1-CZ 3.66Å; L609-F621 HydrophobicContact CG-CE2 4.09Å; L609-F621 HydrophobicContact CG-CZ 4.48Å; T617-F621 HydrophobicContact CG2-CD2 3.18Å; T617-F621 HydrophobicContact CG2-CE2 3.34Å; T617-F621 HydrophobicContact CG2-CG 4.35Å; T617-F621 PolarHBondContact O-N 3.43Å; T617-F621 VanDerWaalsContact O-N 3.13Å; L618-F621 PolarHBondContact O-N 3.09Å; F621-R623 VanDerWaalsContact C-N 3.28Å; F621-R623 PolarHBondContact O-N 3.4Å; F621-L624 WeakPolarHBondContact O-CB 3.38Å; F621-L624 PolarHBondContact O-N 3.05Å; F621-Q625 PolarHBondContact O-N 2.61Å; F621-L644 HydrophobicContact CD1-CB 4.4Å; F621-L644 HydrophobicContact CD1-CD1 3.96Å; F621-L644 HydrophobicContact CE1-CD1 4.33Å; F621-L644 HydrophobicContact CE1-CD2 4.24Å; F621-L647 HydrophobicContact CE1-CB 4.37Å; F621-L647 HydrophobicContact CE1-CD1 3.92Å; F621-L647 HydrophobicContact CZ-CD1 4.28Å; F621-L648 HydrophobicContact CB-CD2 3.98Å; F621-L651 HydrophobicContact CB-CD1 4.4Å; F621-L651 HydrophobicContact CD2-CD1 4.24Å; F621-L651 HydrophobicContact CG-CD1 4.24Å |
| 622 | E | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.5 | -73.4 | 170.6 | 168.3 | 0 | 0 | 110.9 | W82 T86 Y87 L618 Q625 F626 L648 Y652 | W82-E622 WeakPolarHBondContact CH2-OE2 3.44Å; W82-E622 WeakPolarHBondContact CZ3-OE2 3.34Å; T86-E622 HydrophobicContact CG2-CB 4.19Å; Y87-E622 WeakPolarHBondContact CE1-OE1 3.22Å; Y87-E622 PolarHBondContact OH-OE1 3.04Å; L618-E622 WeakPolarHBondContact CD2-OE1 3.41Å; L618-E622 WeakPolarHBondContact O-CG 3.3Å; L618-E622 PolarHBondContact O-N 3.49Å; E622-Q625 PolarHBondContact O-N 3.17Å; E622-F626 WeakPolarHBondContact O-CB 3.47Å; E622-F626 PolarHBondContact O-N 3.03Å; E622-L648 HydrophobicContact CG-CD2 4.08Å; E622-Y652 WeakPolarHBondContact CG-OH 3.45Å; E622-Y652 WeakPolarHBondContact OE1-CE1 3.35Å; E622-Y652 PolarHBondContact OE1-OH 3.1Å |
| 623 | R | 90.4 | Very high | 84.4 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 176 | -174.2 | 60 | 177.9 | 175.3 | 4.3 | 112.3 | F204 Y205 E597 P619 F621 F626 L627 | F204-R623 HydrophobicContact CD1-CG 3.92Å; F204-R623 HydrophobicContact CD2-CB 4.3Å; F204-R623 HydrophobicContact CD2-CG 4.48Å; F204-R623 HydrophobicContact CE1-CB 4.22Å; F204-R623 HydrophobicContact CE1-CG 3.63Å; F204-R623 HydrophobicContact CE2-CB 3.89Å; F204-R623 HydrophobicContact CE2-CG 4.21Å; F204-R623 HydrophobicContact CG-CG 4.35Å; F204-R623 HydrophobicContact CZ-CB 3.85Å; F204-R623 HydrophobicContact CZ-CG 3.78Å; Y205-R623 VanDerWaalsContact CE1-NH2 3.3Å; Y205-R623 PolarHBondContact OH-NH2 3.45Å; E597-R623 IonicContact OE1-CZ 3.63Å; E597-R623 IonicContact OE1-NE 3.82Å; E597-R623 PolarHBondContact OE1-NE 3.34Å; E597-R623 IonicContact OE1-NH2 2.76Å; E597-R623 PolarHBondContact OE1-NH2 2.73Å; E597-R623 IonicContact OE2-NH2 3.95Å; P619-R623 WeakPolarHBondContact O-CB 3.1Å; P619-R623 PolarHBondContact O-N 2.9Å; P619-R623 VanDerWaalsContact O-N 3.11Å; F621-R623 VanDerWaalsContact C-N 3.28Å; F621-R623 PolarHBondContact O-N 3.4Å; R623-F626 VanDerWaalsContact NH1-CD1 3.28Å; R623-F626 VanDerWaalsContact NH1-CE1 3.28Å; R623-F626 PolarHBondContact O-N 3.45Å; R623-L627 HydrophobicContact CG-CD1 4.11Å; R623-L627 HydrophobicContact CG-CG 4.38Å; R623-L627 WeakPolarHBondContact O-CB 3.47Å; R623-L627 VanDerWaalsContact O-CG 3.29Å; R623-L627 WeakPolarHBondContact O-CG 3.21Å; R623-L627 PolarHBondContact O-N 3.34Å |
| 624 | L | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 177.2 | -172.2 | 63.8 | 0 | 0 | 0 | 111.7 | F302 A598 C601 F620 F621 F626 L627 S628 L644 | F302-L624 HydrophobicContact CE2-CD1 3.58Å; F302-L624 HydrophobicContact CZ-CD1 3.67Å; F302-L624 HydrophobicContact CZ-CG 4.41Å; A598-L624 HydrophobicContact CB-CD1 4.09Å; A598-L624 VanDerWaalsContact O-CD1 3.23Å; A598-L624 WeakPolarHBondContact O-CD1 3.49Å; C601-L624 HydrophobicContact CB-CB 4.35Å; C601-L624 HydrophobicContact CB-CD1 4.15Å; F620-L624 VanDerWaalsContact O-CB 3.3Å; F620-L624 WeakPolarHBondContact O-CB 3.36Å; F620-L624 PolarHBondContact O-N 3.21Å; F621-L624 WeakPolarHBondContact O-CB 3.38Å; F621-L624 PolarHBondContact O-N 3.05Å; L624-F626 VanDerWaalsContact C-N 3.33Å; L624-F626 PolarHBondContact O-N 3.36Å; L624-L627 PolarHBondContact O-N 3.41Å; L624-S628 WeakPolarHBondContact O-CB 3.44Å; L624-S628 PolarHBondContact O-N 3.4Å; L624-L644 HydrophobicContact CB-CD1 4.14Å; L624-L644 HydrophobicContact CD2-CD1 3.76Å; L624-L644 HydrophobicContact CG-CD1 3.91Å |
| 625 | Q | 88 | Confident | 82 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 175.3 | -173.3 | 67.7 | 16.3 | 0 | 0 | 111 | L90 F621 E622 S628 A629 L642 L644 L648 | L90-Q625 HydrophobicContact CD1-CB 4.5Å; L90-Q625 HydrophobicContact CD1-CG 4.32Å; L90-Q625 HydrophobicContact CD2-CB 4.26Å; L90-Q625 HydrophobicContact CD2-CG 3.68Å; F621-Q625 PolarHBondContact O-N 2.61Å; E622-Q625 PolarHBondContact O-N 3.17Å; Q625-S628 WeakPolarHBondContact O-CB 3.37Å; Q625-S628 PolarHBondContact O-N 3.33Å; Q625-A629 PolarHBondContact O-N 3.21Å; Q625-L642 PolarHBondContact NE2-O 2.93Å; Q625-L642 PolarHBondContact OE1-O 3.19Å; Q625-L644 HydrophobicContact CB-CD1 4.31Å; Q625-L648 HydrophobicContact CB-CD1 4.22Å; Q625-L648 HydrophobicContact CG-CD1 4.24Å |
| 626 | F | 87.7 | Confident | 80.4 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.4 | 177 | -91.9 | 0 | 0 | 0 | 112.3 | S89 L90 Y202 E622 R623 L624 S628 A629 T630 | S89-F626 VanDerWaalsContact OG-CD2 3.25Å; S89-F626 WeakPolarHBondContact OG-CD2 3.44Å; S89-F626 WeakPolarHBondContact OG-CE2 3.41Å; L90-F626 HydrophobicContact CD2-CB 4.47Å; Y202-F626 HydrophobicContact CD1-CE1 4.34Å; Y202-F626 HydrophobicContact CD1-CZ 4.28Å; Y202-F626 HydrophobicContact CE1-CE1 4.01Å; Y202-F626 AromaticContact CE1-CZ 3.8Å; Y202-F626 HydrophobicContact CE1-CZ 3.8Å; E622-F626 WeakPolarHBondContact O-CB 3.47Å; E622-F626 PolarHBondContact O-N 3.03Å; R623-F626 VanDerWaalsContact NH1-CD1 3.28Å; R623-F626 VanDerWaalsContact NH1-CE1 3.28Å; R623-F626 PolarHBondContact O-N 3.45Å; L624-F626 VanDerWaalsContact C-N 3.33Å; L624-F626 PolarHBondContact O-N 3.36Å; F626-S628 VanDerWaalsContact C-N 3.34Å; F626-S628 PolarHBondContact O-N 2.99Å; F626-A629 PolarHBondContact O-N 3.27Å; F626-T630 HydrophobicContact CD1-CG2 4.16Å; F626-T630 HydrophobicContact CD2-CG2 4.42Å; F626-T630 HydrophobicContact CE1-CG2 3.66Å; F626-T630 HydrophobicContact CE2-CG2 3.98Å; F626-T630 HydrophobicContact CZ-CG2 3.57Å; F626-T630 WeakPolarHBondContact O-CG2 3.26Å; F626-T630 PolarHBondContact O-N 3.35Å; F626-T630 PolarHBondContact O-OG1 3.27Å |
| 627 | L | 86.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.9 | -72.2 | 171.1 | 0 | 0 | 0 | 111.1 | K594 E597 A598 R623 L624 A629 T630 L631 | K594-L627 HydrophobicContact CB-CD2 4.45Å; E597-L627 HydrophobicContact CB-CD1 4.1Å; E597-L627 HydrophobicContact CG-CD1 3.8Å; A598-L627 HydrophobicContact CB-CB 4.37Å; A598-L627 HydrophobicContact CB-CD1 4.03Å; R623-L627 HydrophobicContact CG-CD1 4.11Å; R623-L627 HydrophobicContact CG-CG 4.38Å; R623-L627 WeakPolarHBondContact O-CB 3.47Å; R623-L627 VanDerWaalsContact O-CG 3.29Å; R623-L627 WeakPolarHBondContact O-CG 3.21Å; R623-L627 PolarHBondContact O-N 3.34Å; L624-L627 PolarHBondContact O-N 3.41Å; L627-A629 PolarHBondContact O-N 3.42Å; L627-T630 WeakPolarHBondContact CA-OG1 3.36Å; L627-T630 PolarHBondContact O-N 3.49Å; L627-T630 PolarHBondContact O-OG1 3.49Å; L627-T630 VanDerWaalsContact O-OG1 3.06Å; L627-L631 WeakPolarHBondContact O-CB 3.39Å; L627-L631 WeakPolarHBondContact O-CD1 3.25Å; L627-L631 WeakPolarHBondContact O-CG 3.45Å; L627-L631 PolarHBondContact O-N 2.85Å |
| 628 | S | 83.3 | Confident | 76.6 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.4 | -47.2 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | L624 Q625 F626 S632 L642 | L624-S628 WeakPolarHBondContact O-CB 3.44Å; L624-S628 PolarHBondContact O-N 3.4Å; Q625-S628 WeakPolarHBondContact O-CB 3.37Å; Q625-S628 PolarHBondContact O-N 3.33Å; F626-S628 VanDerWaalsContact C-N 3.34Å; F626-S628 PolarHBondContact O-N 2.99Å; S628-S632 PolarHBondContact O-N 3.09Å; S628-S632 PolarHBondContact O-OG 3.48Å; S628-L642 WeakPolarHBondContact OG-CB 3.43Å; S628-L642 PolarHBondContact OG-N 2.97Å |
| 629 | A | 80.3 | Confident | 74.8 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.6 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q625 F626 L627 S632 A633 | Q625-A629 PolarHBondContact O-N 3.21Å; F626-A629 PolarHBondContact O-N 3.27Å; L627-A629 PolarHBondContact O-N 3.42Å; A629-S632 PolarHBondContact O-OG 3.04Å; A629-A633 PolarHBondContact O-N 3.03Å |
| 630 | T | 80.8 | Confident | 73.3 | Confident | 29 Ų | 29 | 41 Ų | 41 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.3 | -37.1 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | F626 L627 A633 T634 | F626-T630 HydrophobicContact CD1-CG2 4.16Å; F626-T630 HydrophobicContact CD2-CG2 4.42Å; F626-T630 HydrophobicContact CE1-CG2 3.66Å; F626-T630 HydrophobicContact CE2-CG2 3.98Å; F626-T630 HydrophobicContact CZ-CG2 3.57Å; F626-T630 WeakPolarHBondContact O-CG2 3.26Å; F626-T630 PolarHBondContact O-N 3.35Å; F626-T630 PolarHBondContact O-OG1 3.27Å; L627-T630 WeakPolarHBondContact CA-OG1 3.36Å; L627-T630 PolarHBondContact O-N 3.49Å; L627-T630 PolarHBondContact O-OG1 3.49Å; L627-T630 VanDerWaalsContact O-OG1 3.06Å; T630-A633 PolarHBondContact O-N 3.21Å; T630-T634 PolarHBondContact O-N 2.78Å; T630-T634 PolarHBondContact O-OG1 3.08Å |
| 631 | L | 77.1 | Confident | 72 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 179.1 | -70.8 | 168.5 | 0 | 0 | 0 | 111.3 | V301 K594 L595 L627 A633 T634 | V301-L631 HydrophobicContact CG1-CD1 4.21Å; K594-L631 HydrophobicContact CB-CD2 4.04Å; K594-L631 HydrophobicContact CD-CD2 4.16Å; L595-L631 HydrophobicContact CD2-CD1 3.84Å; L595-L631 HydrophobicContact CD2-CD2 4.41Å; L627-L631 WeakPolarHBondContact O-CB 3.39Å; L627-L631 WeakPolarHBondContact O-CD1 3.25Å; L627-L631 WeakPolarHBondContact O-CG 3.45Å; L627-L631 PolarHBondContact O-N 2.85Å; L631-A633 PolarHBondContact O-N 3.37Å; L631-T634 PolarHBondContact O-N 3.26Å; L631-T634 PolarHBondContact O-OG1 3.09Å |
| 632 | S | 69.6 | Low | 71.3 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175 | 48 | 0 | 0 | 0 | 0 | 112.9 | S628 A629 T634 I639 | S628-S632 PolarHBondContact O-N 3.09Å; S628-S632 PolarHBondContact O-OG 3.48Å; A629-S632 PolarHBondContact O-OG 3.04Å; S632-T634 PolarHBondContact O-N 3.49Å; S632-I639 WeakPolarHBondContact CB-O 3.39Å |
| 633 | A | 64.9 | Low | 70.7 | Confident | 84 Ų | 84 | 46 Ų | 46 | 69% | 0.694 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.9 | -31.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A629 T630 L631 | A629-A633 PolarHBondContact O-N 3.03Å; T630-A633 PolarHBondContact O-N 3.21Å; L631-A633 PolarHBondContact O-N 3.37Å |
| 634 | T | 61.5 | Low | 70.4 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -80.4 | -20.6 | -175.4 | 45.3 | 0 | 0 | 0 | 0 | 114.8 | T630 L631 S632 | T630-T634 PolarHBondContact O-N 2.78Å; T630-T634 PolarHBondContact O-OG1 3.08Å; L631-T634 PolarHBondContact O-N 3.26Å; L631-T634 PolarHBondContact O-OG1 3.09Å; S632-T634 PolarHBondContact O-N 3.49Å |
| 635 | E | 54.6 | Low | 70.4 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -99 | -0.9 | -169.9 | -68.1 | -169.5 | 172.4 | 0 | 0 | 115 | G637 I639 | E635-G637 PolarHBondContact O-N 3.23Å; E635-I639 HydrophobicContact CB-CD1 3.98Å; E635-I639 VanDerWaalsContact OE2-CD1 3.29Å; E635-I639 WeakPolarHBondContact OE2-CD1 3.39Å |
| 636 | G | 46.5 | Very low | 70.4 | Confident | 81 Ų | 81 | 46.3 Ų | 46.3 | 84% | 0.835 | 30% | 0.298 | S | S | * | . | trans | 61.8 | 7.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 637 | G | 49.9 | Very low | 70.3 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -107.3 | 169 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E635 I639 | E635-G637 PolarHBondContact O-N 3.23Å; G637-I639 PolarHBondContact O-N 3.06Å |
| 638 | P | 45.7 | Very low | 70.5 | Confident | 129 Ų | 129 | 45.1 Ų | 45.1 | 84% | 0.838 | 29% | 0.293 | S | S | * | . | trans | -79 | 65.2 | -178.9 | 35.8 | -34.7 | 0 | 0 | 0 | 110.4 | Q640 | P638-Q640 PolarHBondContact O-N 2.91Š| ||
| 639 | I | 52.1 | Low | 70.9 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | -85.4 | 105.4 | 174.4 | -54.8 | 177.7 | 0 | 0 | 0 | 106.8 | R298 V301 S632 E635 G637 P641 | R298-I639 WeakPolarHBondContact O-CD1 3.41Å; R298-I639 WeakPolarHBondContact O-CG1 3.37Å; V301-I639 HydrophobicContact CG2-CD1 4.44Å; V301-I639 HydrophobicContact CG2-CG2 4.25Å; S632-I639 WeakPolarHBondContact CB-O 3.39Å; E635-I639 HydrophobicContact CB-CD1 3.98Å; E635-I639 VanDerWaalsContact OE2-CD1 3.29Å; E635-I639 WeakPolarHBondContact OE2-CD1 3.39Å; G637-I639 PolarHBondContact O-N 3.06Å; I639-P641 WeakPolarHBondContact O-CD 3.42Å | ||
| 640 | Q | 57.8 | Low | 71.2 | Confident | 144 Ų | 144 | 43.8 Ų | 43.8 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 119.5 | 171.8 | -165.9 | 175.3 | 5.3 | 0 | 0 | 107.9 | P638 | P638-Q640 PolarHBondContact O-N 2.91Š|
| 641 | P | 65.6 | Low | 71.7 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.7 | -178.5 | 25.1 | -33.1 | 0 | 0 | 0 | 110.2 | I639 D643 | I639-P641 WeakPolarHBondContact O-CD 3.42Å; P641-D643 PolarHBondContact O-N 2.78Å |
| 642 | L | 74.6 | Confident | 72.4 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 122.4 | 169.1 | -178.4 | 69 | 0 | 0 | 0 | 109.1 | F302 L303 K308 L311 Q625 S628 L644 | F302-L642 HydrophobicContact CZ-CD2 4.35Å; L303-L642 HydrophobicContact CD1-CD1 4.41Å; L303-L642 HydrophobicContact CD1-CD2 3.74Å; K308-L642 HydrophobicContact CG-CD1 4.23Å; L311-L642 HydrophobicContact CD1-CD2 4.3Å; Q625-L642 PolarHBondContact NE2-O 2.93Å; Q625-L642 PolarHBondContact OE1-O 3.19Å; S628-L642 WeakPolarHBondContact OG-CB 3.43Å; S628-L642 PolarHBondContact OG-N 2.97Å; L642-L644 HydrophobicContact CD2-CD1 4.14Å; L642-L644 HydrophobicContact CD2-CD2 3.74Å; L642-L644 HydrophobicContact CD2-CG 4.05Å; L642-L644 HydrophobicContact CG-CD2 3.84Å; L642-L644 HydrophobicContact CG-CG 4.07Å |
| 643 | D | 77.7 | Confident | 73.3 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -94.5 | 101.7 | -179.4 | -166.6 | -11.4 | 0 | 0 | 0 | 112.1 | P641 N645 S669 R670 | P641-D643 PolarHBondContact O-N 2.78Å; D643-N645 WeakPolarHBondContact OD1-CB 3.37Å; D643-N645 VanDerWaalsContact OD1-CG 3.23Å; D643-N645 PolarHBondContact OD1-N 2.9Å; D643-N645 PolarHBondContact OD1-ND2 3.39Å; D643-S669 WeakPolarHBondContact OD2-CA 3.48Å; D643-S669 VanDerWaalsContact OD2-CB 3.3Å; D643-S669 WeakPolarHBondContact OD2-CB 3.33Å; D643-S669 PolarHBondContact OD2-N 2.68Å; D643-S669 PolarHBondContact OD2-OG 3.39Å; D643-R670 PolarHBondContact O-NE 2.9Å; D643-R670 PolarHBondContact O-NH2 3.14Å | ||
| 644 | L | 86 | Confident | 74.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -98.5 | 7.8 | 176.1 | -52.2 | 172.9 | 0 | 0 | 0 | 113.1 | F621 L624 Q625 L642 W646 L647 L648 | F621-L644 HydrophobicContact CD1-CB 4.4Å; F621-L644 HydrophobicContact CD1-CD1 3.96Å; F621-L644 HydrophobicContact CE1-CD1 4.33Å; F621-L644 HydrophobicContact CE1-CD2 4.24Å; L624-L644 HydrophobicContact CB-CD1 4.14Å; L624-L644 HydrophobicContact CD2-CD1 3.76Å; L624-L644 HydrophobicContact CG-CD1 3.91Å; Q625-L644 HydrophobicContact CB-CD1 4.31Å; L642-L644 HydrophobicContact CD2-CD1 4.14Å; L642-L644 HydrophobicContact CD2-CD2 3.74Å; L642-L644 HydrophobicContact CD2-CG 4.05Å; L642-L644 HydrophobicContact CG-CD2 3.84Å; L642-L644 HydrophobicContact CG-CG 4.07Å; L644-W646 VanDerWaalsContact C-N 3.33Å; L644-W646 PolarHBondContact O-N 3.3Å; L644-L647 PolarHBondContact O-N 3.48Å; L644-L647 VanDerWaalsContact O-N 3.15Å; L644-L648 HydrophobicContact CB-CD1 4.42Å; L644-L648 WeakPolarHBondContact O-CB 3.48Å; L644-L648 WeakPolarHBondContact O-CG 3.49Å; L644-L648 PolarHBondContact O-N 2.87Å | ||
| 645 | N | 88.8 | Confident | 75.6 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -40 | -173.7 | -75.2 | -41.6 | 0 | 0 | 0 | 113.2 | D643 L647 L648 S649 S664 L667 D668 | D643-N645 WeakPolarHBondContact OD1-CB 3.37Å; D643-N645 VanDerWaalsContact OD1-CG 3.23Å; D643-N645 PolarHBondContact OD1-N 2.9Å; D643-N645 PolarHBondContact OD1-ND2 3.39Å; N645-L647 PolarHBondContact O-N 2.78Å; N645-L648 PolarHBondContact O-N 3.12Å; N645-S649 WeakPolarHBondContact O-CB 3.44Å; N645-S649 PolarHBondContact O-N 3.38Å; N645-S664 WeakPolarHBondContact CB-O 3.45Å; N645-L667 PolarHBondContact ND2-O 3.12Å; N645-D668 HydrophobicContact CB-CB 4.11Å |
| 646 | W | 86.8 | Confident | 77.2 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.5 | -52.5 | 172.7 | 174.1 | -115.7 | 0 | 0 | 0 | 112.9 | L644 S649 W650 L665 R670 Q680 R681 L684 | L644-W646 VanDerWaalsContact C-N 3.33Å; L644-W646 PolarHBondContact O-N 3.3Å; W646-S649 WeakPolarHBondContact O-CB 3.35Å; W646-S649 PolarHBondContact O-N 2.82Å; W646-W650 PolarHBondContact O-N 2.72Å; W646-W650 VanDerWaalsContact O-N 3.1Å; W646-L665 HydrophobicContact CE3-CD1 4.07Å; W646-L665 HydrophobicContact CZ3-CD1 4.02Å; W646-R670 VanDerWaalsContact CB-CZ 3.5Å; W646-Q680 HydrophobicContact CH2-CB 3.73Å; W646-Q680 HydrophobicContact CZ2-CB 4.16Å; W646-R681 HydrophobicContact CE3-CG 4.08Å; W646-R681 HydrophobicContact CH2-CG 4.33Å; W646-R681 HydrophobicContact CZ3-CB 4.35Å; W646-R681 HydrophobicContact CZ3-CG 3.55Å; W646-L684 HydrophobicContact CH2-CD2 4.46Å; W646-L684 HydrophobicContact CZ3-CD2 4.05Å |
| 647 | L | 86.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.4 | -38.9 | -178.4 | -69.4 | 173.3 | 0 | 0 | 0 | 111.3 | V314 F621 L644 N645 W650 L651 | V314-L647 HydrophobicContact CB-CD2 4.28Å; V314-L647 HydrophobicContact CG1-CD2 4.12Å; F621-L647 HydrophobicContact CE1-CB 4.37Å; F621-L647 HydrophobicContact CE1-CD1 3.92Å; F621-L647 HydrophobicContact CZ-CD1 4.28Å; L644-L647 PolarHBondContact O-N 3.48Å; L644-L647 VanDerWaalsContact O-N 3.15Å; N645-L647 PolarHBondContact O-N 2.78Å; L647-W650 PolarHBondContact O-N 3.14Å; L647-L651 WeakPolarHBondContact O-CG 3.43Å; L647-L651 PolarHBondContact O-N 3.22Å |
| 648 | L | 90.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.8 | -76.8 | 172.1 | 0 | 0 | 0 | 111.2 | F92 F621 E622 Q625 L644 N645 W650 L651 Y652 | F92-L648 HydrophobicContact CE2-CD1 4.46Å; F92-L648 HydrophobicContact CZ-CD1 4.09Å; F621-L648 HydrophobicContact CB-CD2 3.98Å; E622-L648 HydrophobicContact CG-CD2 4.08Å; Q625-L648 HydrophobicContact CB-CD1 4.22Å; Q625-L648 HydrophobicContact CG-CD1 4.24Å; L644-L648 HydrophobicContact CB-CD1 4.42Å; L644-L648 WeakPolarHBondContact O-CB 3.48Å; L644-L648 WeakPolarHBondContact O-CG 3.49Å; L644-L648 PolarHBondContact O-N 2.87Å; N645-L648 PolarHBondContact O-N 3.12Å; L648-W650 VanDerWaalsContact C-N 3.31Å; L648-W650 PolarHBondContact O-N 2.99Å; L648-L651 PolarHBondContact O-N 3.29Å; L648-L651 VanDerWaalsContact O-N 3.15Å; L648-Y652 HydrophobicContact CB-CD2 4.32Å; L648-Y652 HydrophobicContact CB-CE2 3.95Å; L648-Y652 HydrophobicContact CD2-CE2 4.41Å; L648-Y652 WeakPolarHBondContact O-CD2 3.44Å; L648-Y652 PolarHBondContact O-N 2.93Å |
| 649 | S | 91.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | N645 W646 Y652 H653 A661 S664 L684 | N645-S649 WeakPolarHBondContact O-CB 3.44Å; N645-S649 PolarHBondContact O-N 3.38Å; W646-S649 WeakPolarHBondContact O-CB 3.35Å; W646-S649 PolarHBondContact O-N 2.82Å; S649-Y652 PolarHBondContact O-N 3.48Å; S649-H653 WeakPolarHBondContact O-CB 3.46Å; S649-H653 PolarHBondContact O-N 3.31Å; S649-A661 WeakPolarHBondContact CB-O 3.39Å; S649-A661 PolarHBondContact OG-O 3.4Å; S649-S664 WeakPolarHBondContact CA-OG 3.36Å; S649-S664 VanDerWaalsContact CB-OG 3.3Å; S649-S664 WeakPolarHBondContact CB-OG 3.43Å; S649-S664 PolarHBondContact N-OG 3.41Å; S649-L684 VanDerWaalsContact OG-CD2 3.31Å; S649-L684 WeakPolarHBondContact OG-CD2 3.44Å |
| 650 | W | 88 | Confident | 85.4 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 9% | 0.087 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.5 | 175.3 | 77.1 | 0 | 0 | 0 | 113.1 | P316 Y317 L609 T614 W646 L647 L648 H653 R654 | P316-W650 HydrophobicContact CB-CD2 3.54Å; P316-W650 HydrophobicContact CB-CE3 4.08Å; P316-W650 HydrophobicContact CB-CG 3.86Å; P316-W650 HydrophobicContact CB-CH2 4.21Å; P316-W650 HydrophobicContact CB-CZ2 3.68Å; P316-W650 HydrophobicContact CB-CZ3 4.39Å; P316-W650 HydrophobicContact CG-CB 4.13Å; P316-W650 HydrophobicContact CG-CD2 3.77Å; P316-W650 HydrophobicContact CG-CE3 4.42Å; P316-W650 HydrophobicContact CG-CG 3.56Å; Y317-W650 AromaticContact CE2-CD1 3.41Å; Y317-W650 VanDerWaalsContact CE2-CD1 3.41Å; Y317-W650 AromaticContact CE2-NE1 3.88Å; Y317-W650 AromaticContact CZ-CD1 3.72Å; Y317-W650 AromaticContact CZ-NE1 3.95Å; L609-W650 HydrophobicContact CD2-CZ3 4.06Å; T614-W650 HydrophobicContact CG2-CH2 3.64Å; T614-W650 HydrophobicContact CG2-CZ3 4.03Å; W646-W650 PolarHBondContact O-N 2.72Å; W646-W650 VanDerWaalsContact O-N 3.1Å; L647-W650 PolarHBondContact O-N 3.14Å; L648-W650 VanDerWaalsContact C-N 3.31Å; L648-W650 PolarHBondContact O-N 2.99Å; W650-H653 WeakPolarHBondContact O-CB 3.37Å; W650-H653 PolarHBondContact O-N 3.35Å; W650-R654 HydrophobicContact CD2-CG 4.37Å; W650-R654 HydrophobicContact CZ2-CG 4Å; W650-R654 WeakPolarHBondContact O-CG 3.37Å; W650-R654 PolarHBondContact O-N 3.21Å |
| 651 | L | 89.4 | Confident | 87 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 177.3 | -71.6 | 171.6 | 0 | 0 | 0 | 111.6 | T614 T617 L618 F621 L647 L648 R654 K655 | T614-L651 HydrophobicContact CG2-CD2 4.21Å; T617-L651 HydrophobicContact CG2-CD1 4.06Å; T617-L651 HydrophobicContact CG2-CD2 4.41Å; L618-L651 HydrophobicContact CD1-CB 4.06Å; F621-L651 HydrophobicContact CB-CD1 4.4Å; F621-L651 HydrophobicContact CD2-CD1 4.24Å; F621-L651 HydrophobicContact CG-CD1 4.24Å; L647-L651 WeakPolarHBondContact O-CG 3.43Å; L647-L651 PolarHBondContact O-N 3.22Å; L648-L651 PolarHBondContact O-N 3.29Å; L648-L651 VanDerWaalsContact O-N 3.15Å; L651-R654 PolarHBondContact O-N 3.47Å; L651-K655 PolarHBondContact O-N 3.24Å |
| 652 | Y | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 174.7 | -69.1 | -50.4 | 0 | 0 | 0 | 112 | Y87 F92 L618 E622 L648 S649 R654 K655 Y656 M657 L660 | Y87-Y652 HydrophobicContact CE1-CE1 4.45Å; Y87-Y652 WeakPolarHBondContact CE1-OH 3.5Å; F92-Y652 HydrophobicContact CD2-CE2 4.48Å; F92-Y652 AromaticContact CE2-CE2 3.94Å; F92-Y652 HydrophobicContact CE2-CE2 3.94Å; L618-Y652 HydrophobicContact CD1-CD1 3.69Å; L618-Y652 HydrophobicContact CD1-CE1 3.62Å; L618-Y652 HydrophobicContact CD2-CE1 4.3Å; L618-Y652 HydrophobicContact CG-CE1 4.21Å; E622-Y652 WeakPolarHBondContact CG-OH 3.45Å; E622-Y652 WeakPolarHBondContact OE1-CE1 3.35Å; E622-Y652 PolarHBondContact OE1-OH 3.1Å; L648-Y652 HydrophobicContact CB-CD2 4.32Å; L648-Y652 HydrophobicContact CB-CE2 3.95Å; L648-Y652 HydrophobicContact CD2-CE2 4.41Å; L648-Y652 WeakPolarHBondContact O-CD2 3.44Å; L648-Y652 PolarHBondContact O-N 2.93Å; S649-Y652 PolarHBondContact O-N 3.48Å; Y652-R654 VanDerWaalsContact C-N 3.32Å; Y652-R654 PolarHBondContact O-N 3.39Å; Y652-K655 CarbonylContact O-C 3.56Å; Y652-K655 PolarHBondContact O-N 3.34Å; Y652-K655 VanDerWaalsContact O-N 3.16Å; Y652-Y656 PolarHBondContact O-N 3.25Å; Y652-Y656 VanDerWaalsContact O-N 3.16Å; Y652-M657 HydrophobicContact CD1-CB 4.36Å; Y652-M657 PolarHBondContact O-N 3.48Å; Y652-L660 HydrophobicContact CD1-CB 3.89Å; Y652-L660 HydrophobicContact CD1-CD1 3.97Å; Y652-L660 HydrophobicContact CD2-CB 3.81Å; Y652-L660 HydrophobicContact CE1-CB 4.2Å; Y652-L660 HydrophobicContact CE1-CD1 3.78Å; Y652-L660 HydrophobicContact CE2-CB 4.11Å; Y652-L660 HydrophobicContact CG-CB 3.72Å |
| 653 | H | 89.4 | Confident | 89.1 | Confident | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 172.6 | 172.6 | 74.9 | 0 | 0 | 0 | 111.7 | S649 W650 K655 Y656 A661 L684 N688 R691 | S649-H653 WeakPolarHBondContact O-CB 3.46Å; S649-H653 PolarHBondContact O-N 3.31Å; W650-H653 WeakPolarHBondContact O-CB 3.37Å; W650-H653 PolarHBondContact O-N 3.35Å; H653-K655 VanDerWaalsContact C-N 3.32Å; H653-K655 PolarHBondContact O-N 3.29Å; H653-Y656 PolarHBondContact O-N 3.3Å; H653-A661 HydrophobicContact CB-CB 4.45Å; H653-L684 HydrophobicContact CB-CD1 3.78Å; H653-N688 PolarHBondContact ND1-ND2 2.97Å; H653-N688 PolarHBondContact ND1-OD1 3.48Å; H653-R691 VanDerWaalsContact CE1-CZ 3.45Å; H653-R691 PolarHBondContact CE1-NH2 3.31Å; H653-R691 PolarHBondContact ND1-NH1 2.92Å; H653-R691 PolarHBondContact O-NH1 2.85Å |
| 654 | R | 86.9 | Confident | 89.8 | Confident | 133 Ų | 133 | 25 Ų | 25 | 50% | 0.502 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 175.5 | -70.8 | -71.6 | -172.2 | 173 | -0.3 | 112.7 | W650 L651 Y652 Y656 | W650-R654 HydrophobicContact CD2-CG 4.37Å; W650-R654 HydrophobicContact CZ2-CG 4Å; W650-R654 WeakPolarHBondContact O-CG 3.37Å; W650-R654 PolarHBondContact O-N 3.21Å; L651-R654 PolarHBondContact O-N 3.47Å; Y652-R654 VanDerWaalsContact C-N 3.32Å; Y652-R654 PolarHBondContact O-N 3.39Å; R654-Y656 VanDerWaalsContact C-N 3.29Å; R654-Y656 PolarHBondContact O-N 3.26Å |
| 655 | K | 88 | Confident | 90 | Very high | 75 Ų | 75 | 25.1 Ų | 25.1 | 33% | 0.326 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.5 | 176 | -75.2 | -137 | 178.9 | -171.7 | 0 | 115.2 | E615 L618 L651 Y652 H653 M657 | E615-K655 PolarHBondContact O-NZ 3.34Å; L618-K655 HydrophobicContact CD1-CD 4.26Å; L618-K655 HydrophobicContact CD1-CG 4.39Å; L651-K655 PolarHBondContact O-N 3.24Å; Y652-K655 CarbonylContact O-C 3.56Å; Y652-K655 PolarHBondContact O-N 3.34Å; Y652-K655 VanDerWaalsContact O-N 3.16Å; H653-K655 VanDerWaalsContact C-N 3.32Å; H653-K655 PolarHBondContact O-N 3.29Å; K655-M657 VanDerWaalsContact C-N 3.3Å; K655-M657 HydrophobicContact CB-CG 4.09Å; K655-M657 PolarHBondContact O-N 3.27Å |
| 656 | Y | 88.4 | Confident | 89.9 | Confident | 165 Ų | 165 | 25.6 Ų | 25.6 | 65% | 0.647 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 39.6 | -175.5 | -69.7 | -99.6 | 0 | 0 | 0 | 113.4 | Y652 H653 R654 P658 | Y652-Y656 PolarHBondContact O-N 3.25Å; Y652-Y656 VanDerWaalsContact O-N 3.16Å; H653-Y656 PolarHBondContact O-N 3.3Å; R654-Y656 VanDerWaalsContact C-N 3.29Å; R654-Y656 PolarHBondContact O-N 3.26Å; Y656-P658 WeakPolarHBondContact O-CD 3.46Å |
| 657 | M | 90.7 | Very high | 89.9 | Confident | 42 Ų | 42 | 27.7 Ų | 27.7 | 21% | 0.207 | 12% | 0.121 | C | C | . | . | trans | -109.3 | 71.9 | 175.3 | -61.6 | -76.1 | -104.4 | 0 | 0 | 109.8 | D56 Y652 K655 Y659 L660 A661 | D56-M657 HydrophobicContact CB-CE 4.48Å; D56-M657 HydrophobicContact CB-SD 4.23Å; D56-M657 WeakPolarHBondContact O-CE 3.34Å; Y652-M657 HydrophobicContact CD1-CB 4.36Å; Y652-M657 PolarHBondContact O-N 3.48Å; K655-M657 VanDerWaalsContact C-N 3.3Å; K655-M657 HydrophobicContact CB-CG 4.09Å; K655-M657 PolarHBondContact O-N 3.27Å; M657-Y659 VanDerWaalsContact C-N 3.34Å; M657-Y659 PolarHBondContact O-N 3.07Å; M657-L660 HydrophobicContact CB-CB 4.37Å; M657-L660 HydrophobicContact CB-CD1 4.39Å; M657-L660 HydrophobicContact CE-CD1 4.16Å; M657-L660 PolarHBondContact O-N 2.76Å; M657-A661 PolarHBondContact O-N 3.07Å | ||
| 658 | P | 91 | Very high | 89.7 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.045 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -32.1 | -168.5 | 26.9 | -36.5 | 0 | 0 | 0 | 113.7 | D56 Y656 A661 L662 N688 R691 L692 | D56-P658 WeakPolarHBondContact OD2-CD 3.49Å; Y656-P658 WeakPolarHBondContact O-CD 3.46Å; P658-A661 PolarHBondContact O-N 2.81Å; P658-L662 WeakPolarHBondContact O-CG 3.47Å; P658-L662 PolarHBondContact O-N 3.49Å; P658-N688 HydrophobicContact CB-CB 4.19Å; P658-R691 HydrophobicContact CB-CB 4.31Å; P658-R691 HydrophobicContact CG-CB 4.43Å; P658-L692 HydrophobicContact CB-CD1 4.39Å; P658-L692 HydrophobicContact CB-CD2 3.89Å; P658-L692 HydrophobicContact CB-CG 3.86Å; P658-L692 HydrophobicContact CG-CD2 3.47Å; P658-L692 VanDerWaalsContact CG-CD2 3.47Å; P658-L692 HydrophobicContact CG-CG 3.99Å |
| 659 | Y | 91.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 177.6 | -73.4 | -72.7 | 0 | 0 | 0 | 111.5 | Q52 L53 D56 C96 F100 M657 L662 A663 L692 | Q52-Y659 HydrophobicContact CG-CE2 4.32Å; L53-Y659 HydrophobicContact CB-CD1 4.46Å; L53-Y659 HydrophobicContact CB-CD2 4.27Å; L53-Y659 HydrophobicContact CB-CE1 4.28Å; L53-Y659 HydrophobicContact CB-CE2 4.06Å; L53-Y659 HydrophobicContact CB-CG 4.46Å; L53-Y659 HydrophobicContact CD1-CD1 4.03Å; L53-Y659 HydrophobicContact CD1-CE1 4.04Å; L53-Y659 HydrophobicContact CG-CD1 4.33Å; L53-Y659 HydrophobicContact CG-CE1 4.49Å; L53-Y659 HydrophobicContact CG-CG 4.44Å; D56-Y659 HydrophobicContact CB-CD2 4.33Å; D56-Y659 WeakPolarHBondContact OD2-CD2 3.49Å; C96-Y659 PolarHBondContact SG-O 2.85Å; F100-Y659 HydrophobicContact CD2-CE1 4.49Å; M657-Y659 VanDerWaalsContact C-N 3.34Å; M657-Y659 PolarHBondContact O-N 3.07Å; Y659-L662 PolarHBondContact O-N 3.35Å; Y659-A663 WeakPolarHBondContact O-CB 3.42Å; Y659-A663 PolarHBondContact O-N 3Å; Y659-L692 HydrophobicContact CD1-CD1 4.17Å; Y659-L692 HydrophobicContact CD1-CD2 4.12Å; Y659-L692 HydrophobicContact CD2-CD2 3.74Å; Y659-L692 HydrophobicContact CE1-CD1 4.08Å; Y659-L692 HydrophobicContact CE1-CD2 3.8Å; Y659-L692 HydrophobicContact CE2-CD2 3.4Å; Y659-L692 HydrophobicContact CG-CD2 4.09Å; Y659-L692 VanDerWaalsContact CZ-CD2 3.43Å |
| 660 | L | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 176.6 | -74.1 | 173.8 | 0 | 0 | 0 | 112.3 | D56 L57 Y87 F92 Y652 M657 A663 S664 | D56-L660 WeakPolarHBondContact O-CD1 3.47Å; L57-L660 HydrophobicContact CD2-CD2 3.72Å; L57-L660 HydrophobicContact CD2-CG 4.46Å; Y87-L660 HydrophobicContact CD1-CD2 4.25Å; Y87-L660 HydrophobicContact CD2-CD1 4.4Å; Y87-L660 HydrophobicContact CD2-CD2 4.19Å; Y87-L660 HydrophobicContact CE1-CD1 4.19Å; Y87-L660 HydrophobicContact CE1-CD2 4.44Å; Y87-L660 HydrophobicContact CE2-CD1 3.76Å; Y87-L660 HydrophobicContact CE2-CD2 4.36Å; Y87-L660 HydrophobicContact CG-CD2 4.13Å; F92-L660 HydrophobicContact CB-CD2 4.04Å; F92-L660 HydrophobicContact CD2-CD2 4.1Å; F92-L660 HydrophobicContact CG-CD2 4.45Å; Y652-L660 HydrophobicContact CD1-CB 3.89Å; Y652-L660 HydrophobicContact CD1-CD1 3.97Å; Y652-L660 HydrophobicContact CD2-CB 3.81Å; Y652-L660 HydrophobicContact CE1-CB 4.2Å; Y652-L660 HydrophobicContact CE1-CD1 3.78Å; Y652-L660 HydrophobicContact CE2-CB 4.11Å; Y652-L660 HydrophobicContact CG-CB 3.72Å; M657-L660 HydrophobicContact CB-CB 4.37Å; M657-L660 HydrophobicContact CB-CD1 4.39Å; M657-L660 HydrophobicContact CE-CD1 4.16Å; M657-L660 PolarHBondContact O-N 2.76Å; L660-A663 PolarHBondContact O-N 3.3Å; L660-S664 WeakPolarHBondContact O-CB 3.49Å; L660-S664 PolarHBondContact O-N 2.92Å; L660-S664 PolarHBondContact O-OG 3.43Å |
| 661 | A | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S649 H653 M657 P658 S664 L665 | S649-A661 WeakPolarHBondContact CB-O 3.39Å; S649-A661 PolarHBondContact OG-O 3.4Å; H653-A661 HydrophobicContact CB-CB 4.45Å; M657-A661 PolarHBondContact O-N 3.07Å; P658-A661 PolarHBondContact O-N 2.81Å; A661-S664 PolarHBondContact O-OG 2.93Å; A661-L665 VanDerWaalsContact O-CB 3.26Å; A661-L665 WeakPolarHBondContact O-CB 3.44Å; A661-L665 PolarHBondContact O-N 2.84Å |
| 662 | L | 91.5 | Very high | 85.8 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.4 | -37.7 | 177.8 | -66.4 | -179.2 | 0 | 0 | 0 | 112.6 | P658 Y659 L665 S666 F685 N688 L692 | P658-L662 WeakPolarHBondContact O-CG 3.47Å; P658-L662 PolarHBondContact O-N 3.49Å; Y659-L662 PolarHBondContact O-N 3.35Å; L662-L665 PolarHBondContact O-N 3.43Å; L662-S666 WeakPolarHBondContact O-CB 3.44Å; L662-S666 PolarHBondContact O-N 3.26Å; L662-S666 PolarHBondContact O-OG 2.73Å; L662-F685 HydrophobicContact CD2-CD2 3.52Å; L662-F685 HydrophobicContact CD2-CE2 3.92Å; L662-F685 HydrophobicContact CD2-CG 4.37Å; L662-N688 HydrophobicContact CD2-CB 3.89Å; L662-N688 HydrophobicContact CG-CB 4.05Å; L662-L692 HydrophobicContact CD1-CD1 3.55Å |
| 663 | A | 91.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F92 R95 C96 Y659 L660 S666 L667 | F92-A663 HydrophobicContact CB-CB 4.42Å; R95-A663 HydrophobicContact CB-CB 3.96Å; R95-A663 HydrophobicContact CG-CB 4.23Å; C96-A663 VanDerWaalsContact SG-CB 3.59Å; Y659-A663 WeakPolarHBondContact O-CB 3.42Å; Y659-A663 PolarHBondContact O-N 3Å; L660-A663 PolarHBondContact O-N 3.3Å; A663-S666 PolarHBondContact O-N 3.1Å; A663-S666 PolarHBondContact O-OG 2.94Å; A663-L667 PolarHBondContact O-N 2.66Å |
| 664 | S | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.4 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | N645 S649 L660 A661 S666 L667 D668 | N645-S664 WeakPolarHBondContact CB-O 3.45Å; S649-S664 WeakPolarHBondContact CA-OG 3.36Å; S649-S664 VanDerWaalsContact CB-OG 3.3Å; S649-S664 WeakPolarHBondContact CB-OG 3.43Å; S649-S664 PolarHBondContact N-OG 3.41Å; L660-S664 WeakPolarHBondContact O-CB 3.49Å; L660-S664 PolarHBondContact O-N 2.92Å; L660-S664 PolarHBondContact O-OG 3.43Å; A661-S664 PolarHBondContact O-OG 2.93Å; S664-S666 VanDerWaalsContact C-N 3.26Å; S664-S666 PolarHBondContact O-N 3.26Å; S664-L667 PolarHBondContact O-N 3Å; S664-D668 PolarHBondContact O-N 3.43Å |
| 665 | L | 90.6 | Very high | 84 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55 | -42 | 177.6 | -174.4 | 61.4 | 0 | 0 | 0 | 112.5 | W646 A661 L662 L667 D668 R681 L684 F685 Y710 | W646-L665 HydrophobicContact CE3-CD1 4.07Å; W646-L665 HydrophobicContact CZ3-CD1 4.02Å; A661-L665 VanDerWaalsContact O-CB 3.26Å; A661-L665 WeakPolarHBondContact O-CB 3.44Å; A661-L665 PolarHBondContact O-N 2.84Å; L662-L665 PolarHBondContact O-N 3.43Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 2.88Å; L665-D668 VanDerWaalsContact O-CB 3.25Å; L665-D668 WeakPolarHBondContact O-CB 3.37Å; L665-D668 PolarHBondContact O-N 3.07Å; L665-R681 HydrophobicContact CD1-CB 4.26Å; L665-R681 HydrophobicContact CD1-CG 4Å; L665-L684 HydrophobicContact CD1-CD2 4.4Å; L665-F685 HydrophobicContact CD2-CB 3.92Å; L665-Y710 HydrophobicContact CD2-CE1 3.99Å; L665-Y710 HydrophobicContact CG-CE1 3.86Å |
| 666 | S | 86.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 47 Ų | 47 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -10.7 | -179 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | R95 L662 A663 S664 | R95-S666 WeakPolarHBondContact CD-OG 3.28Å; R95-S666 WeakPolarHBondContact CG-OG 3.33Å; R95-S666 PolarHBondContact NE-OG 3.1Å; R95-S666 PolarHBondContact NH2-O 3.12Å; L662-S666 WeakPolarHBondContact O-CB 3.44Å; L662-S666 PolarHBondContact O-N 3.26Å; L662-S666 PolarHBondContact O-OG 2.73Å; A663-S666 PolarHBondContact O-N 3.1Å; A663-S666 PolarHBondContact O-OG 2.94Å; S664-S666 VanDerWaalsContact C-N 3.26Å; S664-S666 PolarHBondContact O-N 3.26Å |
| 667 | L | 86.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 32% | 0.319 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.8 | 173.3 | -69.1 | 173.6 | 0 | 0 | 0 | 112.2 | F92 R95 N645 A663 S664 L665 S669 | F92-L667 HydrophobicContact CD1-CD1 3.66Å; F92-L667 HydrophobicContact CE1-CD1 3.87Å; R95-L667 HydrophobicContact CB-CD1 4.49Å; R95-L667 HydrophobicContact CG-CG 4.24Å; N645-L667 PolarHBondContact ND2-O 3.12Å; A663-L667 PolarHBondContact O-N 2.66Å; S664-L667 PolarHBondContact O-N 3Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 2.88Å; L667-S669 PolarHBondContact O-N 3.17Å; L667-S669 VanDerWaalsContact O-N 3.13Å |
| 668 | D | 83.1 | Confident | 83 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | trans | -63.1 | 114.2 | 176.2 | -166.6 | 13.1 | 0 | 0 | 0 | 109.8 | N645 S664 L665 R670 R681 | N645-D668 HydrophobicContact CB-CB 4.11Å; S664-D668 PolarHBondContact O-N 3.43Å; L665-D668 VanDerWaalsContact O-CB 3.25Å; L665-D668 WeakPolarHBondContact O-CB 3.37Å; L665-D668 PolarHBondContact O-N 3.07Å; D668-R670 WeakPolarHBondContact OD1-CD 3.44Å; D668-R670 VanDerWaalsContact OD1-CG 3.31Å; D668-R670 WeakPolarHBondContact OD1-CG 3.46Å; D668-R670 PolarHBondContact OD1-N 3.4Å; D668-R670 IonicContact OD1-NE 2.68Å; D668-R681 IonicContact OD1-NH2 3.78Å; D668-R681 IonicContact OD2-CZ 3.68Å; D668-R681 IonicContact OD2-NE 3.27Å; D668-R681 PolarHBondContact OD2-NE 3.42Å; D668-R681 IonicContact OD2-NH2 2.7Å; D668-R681 PolarHBondContact OD2-NH2 3.46Å | ||
| 669 | S | 74.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | trans | -95.1 | -2 | -176.4 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | D643 L667 E671 | D643-S669 WeakPolarHBondContact OD2-CA 3.48Å; D643-S669 VanDerWaalsContact OD2-CB 3.3Å; D643-S669 WeakPolarHBondContact OD2-CB 3.33Å; D643-S669 PolarHBondContact OD2-N 2.68Å; D643-S669 PolarHBondContact OD2-OG 3.39Å; L667-S669 PolarHBondContact O-N 3.17Å; L667-S669 VanDerWaalsContact O-N 3.13Å; S669-E671 PolarHBondContact O-N 3.02Å | ||
| 670 | R | 71.3 | Confident | 82.2 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 25% | 0.249 | 20% | 0.198 | C | C | . | . | trans | -62 | 127.6 | 173.4 | -57.4 | 169.5 | -164.2 | -157.8 | -2.1 | 108.8 | D643 W646 D668 D672 R681 | D643-R670 PolarHBondContact O-NE 2.9Å; D643-R670 PolarHBondContact O-NH2 3.14Å; W646-R670 VanDerWaalsContact CB-CZ 3.5Å; D668-R670 WeakPolarHBondContact OD1-CD 3.44Å; D668-R670 VanDerWaalsContact OD1-CG 3.31Å; D668-R670 WeakPolarHBondContact OD1-CG 3.46Å; D668-R670 PolarHBondContact OD1-N 3.4Å; D668-R670 IonicContact OD1-NE 2.68Å; R670-D672 PolarHBondContact O-N 3.31Å; R670-R681 PolarHBondContact O-NH1 3.41Å; R670-R681 PolarHBondContact O-NH2 3.05Å | ||
| 671 | E | 65.4 | Low | 81.9 | Confident | 147 Ų | 147 | 40.2 Ų | 40.2 | 69% | 0.687 | 20% | 0.2 | S | C | * | . | trans | -66.6 | 129.1 | 165.2 | -67.6 | -178.1 | 174.6 | 0 | 0 | 107.9 | S669 H673 | S669-E671 PolarHBondContact O-N 3.02Å; E671-H673 PolarHBondContact O-N 3.07Å; E671-H673 IonicContact OE2-CE1 3.47Å | ||
| 672 | D | 65.4 | Low | 81.6 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | trans | -70 | 100.2 | 172.7 | -73.1 | -38 | 0 | 0 | 0 | 107.2 | R670 S674 A678 R681 V717 | R670-D672 PolarHBondContact O-N 3.31Å; D672-S674 VanDerWaalsContact C-N 3.27Å; D672-A678 HydrophobicContact CB-CB 4.16Å; D672-R681 WeakPolarHBondContact OD1-CD 3.3Å; D672-R681 IonicContact OD1-CZ 3.7Å; D672-R681 IonicContact OD1-NE 2.83Å; D672-R681 PolarHBondContact OD1-NE 2.99Å; D672-R681 IonicContact OD1-NH1 3.53Å; D672-R681 PolarHBondContact OD1-NH1 2.98Å; D672-R681 IonicContact OD1-NH2 2.82Å; D672-R681 IonicContact OD2-CZ 3.23Å; D672-R681 IonicContact OD2-NE 3.02Å; D672-R681 IonicContact OD2-NH1 2.75Å; D672-R681 PolarHBondContact OD2-NH1 3.15Å; D672-V717 HydrophobicContact CB-CG2 3.53Å; D672-V717 WeakPolarHBondContact O-CG2 3.39Å | ||
| 673 | H | 68.4 | Low | 81.2 | Confident | 151 Ų | 151 | 40.7 Ų | 40.7 | 70% | 0.699 | 20% | 0.202 | S | C | * | . | trans | -80.1 | -15 | 177.5 | -61.4 | -52.6 | 0 | 0 | 0 | 112.2 | E671 | E671-H673 PolarHBondContact O-N 3.07Å; E671-H673 IonicContact OE2-CE1 3.47Å | ||
| 674 | S | 81.2 | Confident | 81 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -133.2 | 146.6 | 179.7 | 81.7 | 0 | 0 | 0 | 0 | 111.5 | D672 R676 D677 A678 | D672-S674 VanDerWaalsContact C-N 3.27Å; S674-R676 PolarHBondContact O-N 2.96Å; S674-D677 PolarHBondContact O-N 3.34Å; S674-D677 PolarHBondContact OG-N 2.99Å; S674-D677 PolarHBondContact OG-OD2 2.84Å; S674-A678 PolarHBondContact O-N 3.36Å |
| 675 | L | 81.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -34.1 | 173.6 | -71.7 | 174.8 | 0 | 0 | 0 | 111.9 | D677 A678 F679 V717 A718 D723 M726 | L675-D677 VanDerWaalsContact C-N 3.32Å; L675-D677 PolarHBondContact O-N 2.7Å; L675-A678 PolarHBondContact O-N 2.92Å; L675-F679 HydrophobicContact CB-CD2 4.35Å; L675-F679 HydrophobicContact CB-CE2 4.22Å; L675-F679 WeakPolarHBondContact O-CD2 3.4Å; L675-F679 PolarHBondContact O-N 3.46Å; L675-V717 HydrophobicContact CD2-CB 4.15Å; L675-V717 HydrophobicContact CD2-CG1 4.03Å; L675-V717 HydrophobicContact CG-CG1 4.31Å; L675-A718 HydrophobicContact CD2-CB 3.78Å; L675-D723 HydrophobicContact CD1-CB 4.16Å; L675-M726 HydrophobicContact CD1-CB 4.08Å; L675-M726 HydrophobicContact CD1-CG 3.89Å |
| 676 | R | 81.4 | Confident | 80.5 | Confident | 116 Ų | 116 | 42.5 Ų | 42.5 | 44% | 0.438 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -54.3 | -48.1 | 175.4 | -171.9 | 175.1 | 172.2 | -178.2 | -0.1 | 112 | E323 S674 F679 Q680 | E323-R676 WeakPolarHBondContact OE1-CA 3.49Å; E323-R676 WeakPolarHBondContact OE1-CB 3.31Å; E323-R676 VanDerWaalsContact OE1-CG 3.29Å; E323-R676 WeakPolarHBondContact OE1-CG 3.38Å; S674-R676 PolarHBondContact O-N 2.96Å; R676-F679 PolarHBondContact O-N 3.19Å; R676-Q680 VanDerWaalsContact O-CG 3.31Å; R676-Q680 WeakPolarHBondContact O-CG 3.32Å; R676-Q680 PolarHBondContact O-N 2.92Å |
| 677 | D | 79.6 | Confident | 80.4 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.7 | -42.4 | -177.8 | -59.6 | -39 | 0 | 0 | 0 | 110.7 | S674 L675 F679 Q680 R681 | S674-D677 PolarHBondContact O-N 3.34Å; S674-D677 PolarHBondContact OG-N 2.99Å; S674-D677 PolarHBondContact OG-OD2 2.84Å; L675-D677 VanDerWaalsContact C-N 3.32Å; L675-D677 PolarHBondContact O-N 2.7Å; D677-F679 PolarHBondContact O-N 3.35Å; D677-Q680 PolarHBondContact O-N 3.37Å; D677-R681 WeakPolarHBondContact O-CG 3.48Å; D677-R681 PolarHBondContact O-N 3.04Å |
| 678 | A | 84.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D672 S674 L675 R681 I682 A714 | D672-A678 HydrophobicContact CB-CB 4.16Å; S674-A678 PolarHBondContact O-N 3.36Å; L675-A678 PolarHBondContact O-N 2.92Å; A678-R681 WeakPolarHBondContact O-CB 3.43Å; A678-R681 PolarHBondContact O-N 3.15Å; A678-I682 WeakPolarHBondContact O-CG1 3.38Å; A678-I682 PolarHBondContact O-N 3.45Å; A678-I682 VanDerWaalsContact O-N 3.08Å; A678-A714 HydrophobicContact CB-CB 3.8Å |
| 679 | F | 83.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 176.4 | -78.3 | -59.2 | 0 | 0 | 0 | 113.2 | E323 L327 L675 R676 D677 R681 I682 E683 M726 L730 | E323-F679 HydrophobicContact CB-CD2 4.41Å; E323-F679 HydrophobicContact CG-CD2 4.25Å; L327-F679 HydrophobicContact CD1-CE1 4.2Å; L327-F679 HydrophobicContact CD1-CE2 4.25Å; L327-F679 HydrophobicContact CD1-CZ 3.69Å; L327-F679 HydrophobicContact CD2-CE1 3.46Å; L327-F679 VanDerWaalsContact CD2-CE1 3.46Å; L327-F679 HydrophobicContact CD2-CZ 3.65Å; L327-F679 HydrophobicContact CG-CE1 3.79Å; L327-F679 HydrophobicContact CG-CZ 3.82Å; L675-F679 HydrophobicContact CB-CD2 4.35Å; L675-F679 HydrophobicContact CB-CE2 4.22Å; L675-F679 WeakPolarHBondContact O-CD2 3.4Å; L675-F679 PolarHBondContact O-N 3.46Å; R676-F679 PolarHBondContact O-N 3.19Å; D677-F679 PolarHBondContact O-N 3.35Å; F679-R681 VanDerWaalsContact C-N 3.29Å; F679-R681 PolarHBondContact O-N 3.43Å; F679-I682 HydrophobicContact CD1-CD1 4.09Å; F679-I682 HydrophobicContact CE1-CD1 4.4Å; F679-I682 PolarHBondContact O-N 2.95Å; F679-E683 PolarHBondContact O-N 3.3Å; F679-M726 HydrophobicContact CE2-SD 4.42Å; F679-M726 HydrophobicContact CZ-SD 4.42Å; F679-L730 HydrophobicContact CE1-CD2 4.12Å; F679-L730 HydrophobicContact CZ-CD2 4.22Å |
| 680 | Q | 82.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -37 | 174.5 | -71.5 | -180 | -14.7 | 0 | 0 | 111.6 | N315 W646 R676 D677 E683 L684 | N315-Q680 PolarHBondContact ND2-NE2 3.18Å; N315-Q680 PolarHBondContact ND2-OE1 3.24Å; N315-Q680 PolarHBondContact OD1-NE2 3.45Å; N315-Q680 PolarHBondContact OD1-OE1 3.33Å; N315-Q680 VanDerWaalsContact OD1-OE1 3.04Å; W646-Q680 HydrophobicContact CH2-CB 3.73Å; W646-Q680 HydrophobicContact CZ2-CB 4.16Å; R676-Q680 VanDerWaalsContact O-CG 3.31Å; R676-Q680 WeakPolarHBondContact O-CG 3.32Å; R676-Q680 PolarHBondContact O-N 2.92Å; D677-Q680 PolarHBondContact O-N 3.37Å; Q680-E683 PolarHBondContact O-N 3.06Å; Q680-L684 WeakPolarHBondContact O-CB 3.49Å; Q680-L684 PolarHBondContact O-N 3.49Å |
| 681 | R | 85.6 | Confident | 81.2 | Confident | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 172.3 | -70.4 | 176.2 | 164.4 | 176.6 | 3.5 | 111.9 | W646 L665 D668 R670 D672 D677 A678 F679 E683 L684 F685 Y710 | W646-R681 HydrophobicContact CE3-CG 4.08Å; W646-R681 HydrophobicContact CH2-CG 4.33Å; W646-R681 HydrophobicContact CZ3-CB 4.35Å; W646-R681 HydrophobicContact CZ3-CG 3.55Å; L665-R681 HydrophobicContact CD1-CB 4.26Å; L665-R681 HydrophobicContact CD1-CG 4Å; D668-R681 IonicContact OD1-NH2 3.78Å; D668-R681 IonicContact OD2-CZ 3.68Å; D668-R681 IonicContact OD2-NE 3.27Å; D668-R681 PolarHBondContact OD2-NE 3.42Å; D668-R681 IonicContact OD2-NH2 2.7Å; D668-R681 PolarHBondContact OD2-NH2 3.46Å; R670-R681 PolarHBondContact O-NH1 3.41Å; R670-R681 PolarHBondContact O-NH2 3.05Å; D672-R681 WeakPolarHBondContact OD1-CD 3.3Å; D672-R681 IonicContact OD1-CZ 3.7Å; D672-R681 IonicContact OD1-NE 2.83Å; D672-R681 PolarHBondContact OD1-NE 2.99Å; D672-R681 IonicContact OD1-NH1 3.53Å; D672-R681 PolarHBondContact OD1-NH1 2.98Å; D672-R681 IonicContact OD1-NH2 2.82Å; D672-R681 IonicContact OD2-CZ 3.23Å; D672-R681 IonicContact OD2-NE 3.02Å; D672-R681 IonicContact OD2-NH1 2.75Å; D672-R681 PolarHBondContact OD2-NH1 3.15Å; D677-R681 WeakPolarHBondContact O-CG 3.48Å; D677-R681 PolarHBondContact O-N 3.04Å; A678-R681 WeakPolarHBondContact O-CB 3.43Å; A678-R681 PolarHBondContact O-N 3.15Å; F679-R681 VanDerWaalsContact C-N 3.29Å; F679-R681 PolarHBondContact O-N 3.43Å; R681-E683 VanDerWaalsContact C-N 3.34Å; R681-E683 PolarHBondContact O-N 3.46Å; R681-L684 PolarHBondContact O-N 3.3Å; R681-F685 WeakPolarHBondContact O-CB 3.42Å; R681-F685 PolarHBondContact O-N 2.87Å; R681-Y710 HydrophobicContact CB-CD1 4.43Å |
| 682 | I | 86.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 177 | -68.2 | 162.9 | 0 | 0 | 0 | 110.6 | L330 A678 F679 F685 I686 I707 L711 A714 | L330-I682 HydrophobicContact CD1-CG2 4.19Å; A678-I682 WeakPolarHBondContact O-CG1 3.38Å; A678-I682 PolarHBondContact O-N 3.45Å; A678-I682 VanDerWaalsContact O-N 3.08Å; F679-I682 HydrophobicContact CD1-CD1 4.09Å; F679-I682 HydrophobicContact CE1-CD1 4.4Å; F679-I682 PolarHBondContact O-N 2.95Å; I682-F685 WeakPolarHBondContact O-CB 3.16Å; I682-F685 PolarHBondContact O-N 3.5Å; I682-I686 HydrophobicContact CG2-CD1 3.75Å; I682-I686 HydrophobicContact CG2-CG1 4.45Å; I682-I686 VanDerWaalsContact O-CG1 3.28Å; I682-I686 WeakPolarHBondContact O-CG1 3.48Å; I682-I686 PolarHBondContact O-N 3.39Å; I682-I707 HydrophobicContact CG2-CD1 4.2Å; I682-I707 HydrophobicContact CG2-CG1 4.46Å; I682-L711 HydrophobicContact CD1-CD2 3.83Å; I682-A714 HydrophobicContact CD1-CB 3.95Å |
| 683 | E | 84.4 | Confident | 81.8 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 179.3 | -178.8 | 171.2 | -155.2 | 0 | 0 | 112.1 | L326 F679 Q680 R681 F685 I686 R687 | L326-E683 HydrophobicContact CD1-CB 4.02Å; L326-E683 HydrophobicContact CD1-CG 4.45Å; L326-E683 HydrophobicContact CD2-CB 4.25Å; L326-E683 HydrophobicContact CD2-CG 4.11Å; F679-E683 PolarHBondContact O-N 3.3Å; Q680-E683 PolarHBondContact O-N 3.06Å; R681-E683 VanDerWaalsContact C-N 3.34Å; R681-E683 PolarHBondContact O-N 3.46Å; E683-F685 VanDerWaalsContact C-N 3.29Å; E683-F685 PolarHBondContact O-N 3.42Å; E683-I686 PolarHBondContact O-N 3.12Å; E683-R687 HydrophobicContact CG-CG 4.38Å; E683-R687 WeakPolarHBondContact O-CG 3.41Å; E683-R687 PolarHBondContact O-N 2.99Å; E683-R687 IonicContact OE1-CZ 3.01Å; E683-R687 VanDerWaalsContact OE1-CZ 3.24Å; E683-R687 IonicContact OE1-NE 3.55Å; E683-R687 PolarHBondContact OE1-NE 2.94Å; E683-R687 VanDerWaalsContact OE1-NE 3.15Å; E683-R687 IonicContact OE1-NH2 2.96Å; E683-R687 PolarHBondContact OE1-NH2 2.89Å |
| 684 | L | 85.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.8 | -169.9 | 65.3 | 0 | 0 | 0 | 111.3 | W646 S649 H653 L665 Q680 R681 N688 | W646-L684 HydrophobicContact CH2-CD2 4.46Å; W646-L684 HydrophobicContact CZ3-CD2 4.05Å; S649-L684 VanDerWaalsContact OG-CD2 3.31Å; S649-L684 WeakPolarHBondContact OG-CD2 3.44Å; H653-L684 HydrophobicContact CB-CD1 3.78Å; L665-L684 HydrophobicContact CD1-CD2 4.4Å; Q680-L684 WeakPolarHBondContact O-CB 3.49Å; Q680-L684 PolarHBondContact O-N 3.49Å; R681-L684 PolarHBondContact O-N 3.3Å; L684-N688 PolarHBondContact O-N 3.49Å; L684-N688 PolarHBondContact O-ND2 3.28Å |
| 685 | F | 89.2 | Confident | 79.8 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 173.9 | 174 | -94.1 | 0 | 0 | 0 | 111.5 | L662 L665 R681 I682 E683 N688 S689 P704 Q706 I707 Y710 | L662-F685 HydrophobicContact CD2-CD2 3.52Å; L662-F685 HydrophobicContact CD2-CE2 3.92Å; L662-F685 HydrophobicContact CD2-CG 4.37Å; L665-F685 HydrophobicContact CD2-CB 3.92Å; R681-F685 WeakPolarHBondContact O-CB 3.42Å; R681-F685 PolarHBondContact O-N 2.87Å; I682-F685 WeakPolarHBondContact O-CB 3.16Å; I682-F685 PolarHBondContact O-N 3.5Å; E683-F685 VanDerWaalsContact C-N 3.29Å; E683-F685 PolarHBondContact O-N 3.42Å; F685-N688 PolarHBondContact O-N 3.28Å; F685-S689 WeakPolarHBondContact CE1-OG 3.43Å; F685-S689 WeakPolarHBondContact CE2-OG 3.2Å; F685-S689 WeakPolarHBondContact CZ-OG 3.39Å; F685-S689 VanDerWaalsContact O-CB 3.27Å; F685-S689 WeakPolarHBondContact O-CB 3.36Å; F685-S689 PolarHBondContact O-N 3Å; F685-S689 PolarHBondContact O-OG 3.42Å; F685-P704 HydrophobicContact CE1-CB 4.06Å; F685-P704 HydrophobicContact CE1-CG 4Å; F685-P704 HydrophobicContact CZ-CB 4.04Å; F685-P704 HydrophobicContact CZ-CG 4.3Å; F685-Q706 HydrophobicContact CE1-CB 4.45Å; F685-Q706 HydrophobicContact CE2-CB 3.76Å; F685-Q706 HydrophobicContact CZ-CB 3.5Å; F685-Q706 HydrophobicContact CZ-CG 4.41Å; F685-I707 HydrophobicContact CD1-CB 4.21Å; F685-I707 HydrophobicContact CD1-CG1 4.01Å; F685-I707 HydrophobicContact CE1-CB 3.86Å; F685-I707 HydrophobicContact CE1-CG1 4.17Å; F685-Y710 HydrophobicContact CB-CD2 4.21Å; F685-Y710 HydrophobicContact CB-CE2 4.13Å; F685-Y710 HydrophobicContact CD1-CD2 4.29Å; F685-Y710 HydrophobicContact CD1-CE2 4.45Å; F685-Y710 AromaticContact CD2-CD2 3.89Å; F685-Y710 HydrophobicContact CD2-CD2 3.89Å; F685-Y710 AromaticContact CD2-CE2 3.26Å; F685-Y710 HydrophobicContact CD2-CE2 3.26Å; F685-Y710 AromaticContact CD2-CZ 3.99Å; F685-Y710 AromaticContact CE2-CE2 3.85Å; F685-Y710 HydrophobicContact CE2-CE2 3.85Å; F685-Y710 AromaticContact CG-CD2 3.82Å; F685-Y710 HydrophobicContact CG-CD2 3.82Å; F685-Y710 AromaticContact CG-CE2 3.66Å; F685-Y710 HydrophobicContact CG-CE2 3.66Å |
| 686 | I | 83.4 | Confident | 78.6 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 18% | 0.179 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | -179 | -67.9 | 163.7 | 0 | 0 | 0 | 110.8 | L330 I682 E683 N688 S689 V690 I707 | L330-I686 HydrophobicContact CD1-CD1 4.09Å; L330-I686 HydrophobicContact CD2-CD1 3.61Å; L330-I686 HydrophobicContact CG-CD1 4.46Å; I682-I686 HydrophobicContact CG2-CD1 3.75Å; I682-I686 HydrophobicContact CG2-CG1 4.45Å; I682-I686 VanDerWaalsContact O-CG1 3.28Å; I682-I686 WeakPolarHBondContact O-CG1 3.48Å; I682-I686 PolarHBondContact O-N 3.39Å; E683-I686 PolarHBondContact O-N 3.12Å; I686-N688 VanDerWaalsContact C-N 3.31Å; I686-N688 PolarHBondContact O-N 3.36Å; I686-S689 WeakPolarHBondContact O-CB 3.35Å; I686-S689 PolarHBondContact O-N 3.16Å; I686-S689 VanDerWaalsContact O-N 3.15Å; I686-V690 HydrophobicContact CG2-CG2 4.43Å; I686-V690 WeakPolarHBondContact O-CG2 3.42Å; I686-V690 PolarHBondContact O-N 3.36Å; I686-I707 HydrophobicContact CD1-CD1 3.9Å; I686-I707 HydrophobicContact CG1-CD1 3.81Å |
| 687 | R | 84.1 | Confident | 77.1 | Confident | 87 Ų | 87 | 39.2 Ų | 39.2 | 33% | 0.328 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -39.1 | -177.9 | -71.5 | 179.3 | -179.3 | -154.2 | 4.3 | 112.3 | E683 R691 | E683-R687 HydrophobicContact CG-CG 4.38Å; E683-R687 WeakPolarHBondContact O-CG 3.41Å; E683-R687 PolarHBondContact O-N 2.99Å; E683-R687 IonicContact OE1-CZ 3.01Å; E683-R687 VanDerWaalsContact OE1-CZ 3.24Å; E683-R687 IonicContact OE1-NE 3.55Å; E683-R687 PolarHBondContact OE1-NE 2.94Å; E683-R687 VanDerWaalsContact OE1-NE 3.15Å; E683-R687 IonicContact OE1-NH2 2.96Å; E683-R687 PolarHBondContact OE1-NH2 2.89Å; R687-R691 WeakPolarHBondContact O-CG 3.24Å |
| 688 | N | 86.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.9 | -31.7 | 177.2 | -71.3 | -62.9 | 0 | 0 | 0 | 112.5 | H653 P658 L662 L684 F685 I686 R691 L692 | H653-N688 PolarHBondContact ND1-ND2 2.97Å; H653-N688 PolarHBondContact ND1-OD1 3.48Å; P658-N688 HydrophobicContact CB-CB 4.19Å; L662-N688 HydrophobicContact CD2-CB 3.89Å; L662-N688 HydrophobicContact CG-CB 4.05Å; L684-N688 PolarHBondContact O-N 3.49Å; L684-N688 PolarHBondContact O-ND2 3.28Å; F685-N688 PolarHBondContact O-N 3.28Å; I686-N688 VanDerWaalsContact C-N 3.31Å; I686-N688 PolarHBondContact O-N 3.36Å; N688-R691 WeakPolarHBondContact O-CB 3.45Å; N688-R691 PolarHBondContact O-N 3.31Å; N688-L692 PolarHBondContact O-N 3.5Å |
| 689 | S | 84.7 | Confident | 73.6 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 174.9 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | F685 I686 R691 L692 N693 W696 | F685-S689 WeakPolarHBondContact CE1-OG 3.43Å; F685-S689 WeakPolarHBondContact CE2-OG 3.2Å; F685-S689 WeakPolarHBondContact CZ-OG 3.39Å; F685-S689 VanDerWaalsContact O-CB 3.27Å; F685-S689 WeakPolarHBondContact O-CB 3.36Å; F685-S689 PolarHBondContact O-N 3Å; F685-S689 PolarHBondContact O-OG 3.42Å; I686-S689 WeakPolarHBondContact O-CB 3.35Å; I686-S689 PolarHBondContact O-N 3.16Å; I686-S689 VanDerWaalsContact O-N 3.15Å; S689-R691 PolarHBondContact O-N 3.04Å; S689-L692 PolarHBondContact O-N 3.27Å; S689-N693 PolarHBondContact O-N 2.91Å; S689-W696 VanDerWaalsContact O-CE3 3.28Å; S689-W696 WeakPolarHBondContact O-CZ3 3.34Å |
| 690 | V | 79.3 | Confident | 72 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 174.2 | 164.4 | 0 | 0 | 0 | 0 | 111.9 | I686 L692 N693 W696 | I686-V690 HydrophobicContact CG2-CG2 4.43Å; I686-V690 WeakPolarHBondContact O-CG2 3.42Å; I686-V690 PolarHBondContact O-N 3.36Å; V690-L692 VanDerWaalsContact C-N 3.33Å; V690-L692 PolarHBondContact O-N 3.28Å; V690-N693 CarbonylContact O-C 3.55Å; V690-N693 PolarHBondContact O-N 2.9Å; V690-N693 VanDerWaalsContact O-O 3.12Å; V690-W696 WeakPolarHBondContact CG1-O 3.35Å; V690-W696 HydrophobicContact CG2-CB 4.2Å |
| 691 | R | 81.7 | Confident | 70.6 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.7 | -30.2 | 177.5 | -67.6 | 172.9 | 178.5 | -178.2 | -3.4 | 113.4 | H653 P658 R687 N688 S689 | H653-R691 VanDerWaalsContact CE1-CZ 3.45Å; H653-R691 PolarHBondContact CE1-NH2 3.31Å; H653-R691 PolarHBondContact ND1-NH1 2.92Å; H653-R691 PolarHBondContact O-NH1 2.85Å; P658-R691 HydrophobicContact CB-CB 4.31Å; P658-R691 HydrophobicContact CG-CB 4.43Å; R687-R691 WeakPolarHBondContact O-CG 3.24Å; N688-R691 WeakPolarHBondContact O-CB 3.45Å; N688-R691 PolarHBondContact O-N 3.31Å; S689-R691 PolarHBondContact O-N 3.04Å |
| 692 | L | 76.4 | Confident | 69.5 | Low | 45 Ų | 45 | 58.3 Ų | 58.3 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -79.8 | -25 | 178.6 | -69.8 | 177.9 | 0 | 0 | 0 | 112.8 | P658 Y659 L662 N688 S689 V690 | P658-L692 HydrophobicContact CB-CD1 4.39Å; P658-L692 HydrophobicContact CB-CD2 3.89Å; P658-L692 HydrophobicContact CB-CG 3.86Å; P658-L692 HydrophobicContact CG-CD2 3.47Å; P658-L692 VanDerWaalsContact CG-CD2 3.47Å; P658-L692 HydrophobicContact CG-CG 3.99Å; Y659-L692 HydrophobicContact CD1-CD1 4.17Å; Y659-L692 HydrophobicContact CD1-CD2 4.12Å; Y659-L692 HydrophobicContact CD2-CD2 3.74Å; Y659-L692 HydrophobicContact CE1-CD1 4.08Å; Y659-L692 HydrophobicContact CE1-CD2 3.8Å; Y659-L692 HydrophobicContact CE2-CD2 3.4Å; Y659-L692 HydrophobicContact CG-CD2 4.09Å; Y659-L692 VanDerWaalsContact CZ-CD2 3.43Å; L662-L692 HydrophobicContact CD1-CD1 3.55Å; N688-L692 PolarHBondContact O-N 3.5Å; S689-L692 PolarHBondContact O-N 3.27Å; V690-L692 VanDerWaalsContact C-N 3.33Å; V690-L692 PolarHBondContact O-N 3.28Å |
| 693 | N | 68.6 | Low | 69 | Low | 39 Ų | 39 | 59.3 Ų | 59.3 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | trans | -134.9 | 99.8 | -179 | -166.2 | -5 | 0 | 0 | 0 | 111.4 | S689 V690 C695 W696 | S689-N693 PolarHBondContact O-N 2.91Å; V690-N693 CarbonylContact O-C 3.55Å; V690-N693 PolarHBondContact O-N 2.9Å; V690-N693 VanDerWaalsContact O-O 3.12Å; N693-C695 PolarHBondContact O-N 3.48Å; N693-C695 WeakPolarHBondContact OD1-CB 3.39Å; N693-C695 PolarHBondContact OD1-N 2.88Å; N693-W696 HydrophobicContact CB-CD2 3.64Å; N693-W696 HydrophobicContact CB-CE3 3.56Å; N693-W696 HydrophobicContact CB-CG 4.21Å; N693-W696 HydrophobicContact CB-CH2 4.16Å; N693-W696 HydrophobicContact CB-CZ2 4.25Å; N693-W696 HydrophobicContact CB-CZ3 3.8Å; N693-W696 WeakPolarHBondContact ND2-CZ2 3.41Å; N693-W696 PolarHBondContact ND2-NE1 3.12Å; N693-W696 WeakPolarHBondContact O-CB 3.35Å; N693-W696 PolarHBondContact O-N 3.18Å | ||
| 694 | P | 55.8 | Low | 68.8 | Low | 109 Ų | 109 | 58.8 Ų | 58.8 | 71% | 0.708 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.8 | -177 | 27.7 | -34.4 | 0 | 0 | 0 | 113.8 | W696 | P694-W696 PolarHBondContact O-N 3.28Š|
| 695 | C | 50.6 | Low | 68.7 | Low | 79 Ų | 79 | 58.8 Ų | 58.8 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20 | 168.8 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | N693 | N693-C695 PolarHBondContact O-N 3.48Å; N693-C695 WeakPolarHBondContact OD1-CB 3.39Å; N693-C695 PolarHBondContact OD1-N 2.88Å |
| 696 | W | 56.9 | Low | 68.6 | Low | 55 Ų | 55 | 60.3 Ų | 60.3 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -91.5 | 107 | 173.6 | -56.1 | -23.1 | 0 | 0 | 0 | 107.7 | S689 V690 N693 P694 P704 | S689-W696 VanDerWaalsContact O-CE3 3.28Å; S689-W696 WeakPolarHBondContact O-CZ3 3.34Å; V690-W696 WeakPolarHBondContact CG1-O 3.35Å; V690-W696 HydrophobicContact CG2-CB 4.2Å; N693-W696 HydrophobicContact CB-CD2 3.64Å; N693-W696 HydrophobicContact CB-CE3 3.56Å; N693-W696 HydrophobicContact CB-CG 4.21Å; N693-W696 HydrophobicContact CB-CH2 4.16Å; N693-W696 HydrophobicContact CB-CZ2 4.25Å; N693-W696 HydrophobicContact CB-CZ3 3.8Å; N693-W696 WeakPolarHBondContact ND2-CZ2 3.41Å; N693-W696 PolarHBondContact ND2-NE1 3.12Å; N693-W696 WeakPolarHBondContact O-CB 3.35Å; N693-W696 PolarHBondContact O-N 3.18Å; P694-W696 PolarHBondContact O-N 3.28Å; W696-P704 HydrophobicContact CD2-CG 4.46Å; W696-P704 HydrophobicContact CE3-CG 3.91Å; W696-P704 HydrophobicContact CH2-CB 3.83Å; W696-P704 HydrophobicContact CH2-CG 3.78Å; W696-P704 HydrophobicContact CZ2-CB 4.39Å; W696-P704 HydrophobicContact CZ2-CG 4.31Å; W696-P704 HydrophobicContact CZ3-CB 4.08Å; W696-P704 HydrophobicContact CZ3-CG 3.57Å |
| 697 | K | 50.2 | Low | 68.8 | Low | 132 Ų | 132 | 58.6 Ų | 58.6 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | trans | -96.2 | 151.8 | 171.4 | -70.2 | -175.6 | 176.8 | -176.6 | 0 | 109.5 | G699 T700 | K697-G699 PolarHBondContact O-N 2.94Å; K697-G699 VanDerWaalsContact O-N 3.13Å; K697-T700 HydrophobicContact CB-CG2 4.03Å; K697-T700 PolarHBondContact N-OG1 3.4Å; K697-T700 PolarHBondContact O-N 3.21Å; K697-T700 PolarHBondContact O-OG1 3.5Å | ||
| 698 | E | 43.6 | Very low | 69 | Low | 173 Ų | 173 | 54.6 Ų | 54.6 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 119.3 | 167.2 | -70.1 | 176.7 | 173.2 | 0 | 0 | 108.8 | ||
| 699 | G | 45.8 | Very low | 69.1 | Low | 85 Ų | 85 | 56.4 Ų | 56.4 | 88% | 0.876 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | 2.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | K697 | K697-G699 PolarHBondContact O-N 2.94Å; K697-G699 VanDerWaalsContact O-N 3.13Å |
| 700 | T | 50 | Low | 69.2 | Low | 60 Ų | 60 | 57 Ų | 57 | 37% | 0.368 | 32% | 0.324 | S | S | . | . | trans | -79.8 | 136 | 168.6 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | K697 L702 | K697-T700 HydrophobicContact CB-CG2 4.03Å; K697-T700 PolarHBondContact N-OG1 3.4Å; K697-T700 PolarHBondContact O-N 3.21Å; K697-T700 PolarHBondContact O-OG1 3.5Å; T700-L702 PolarHBondContact O-N 3.07Å | ||
| 701 | S | 53.6 | Low | 69.7 | Low | 100 Ų | 100 | 55.2 Ų | 55.2 | 70% | 0.699 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -70.5 | 3.6 | -178.2 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | Q740 | S701-Q740 PolarHBondContact O-OE1 3.05Š|
| 702 | L | 63.4 | Low | 70 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | trans | -98.9 | 98.8 | -175.2 | -67.4 | 169.1 | 0 | 0 | 0 | 110 | T700 Q740 | T700-L702 PolarHBondContact O-N 3.07Å; L702-Q740 HydrophobicContact CD2-CG 3.71Å | ||
| 703 | L | 74.3 | Confident | 70.6 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | trans | -85.9 | 145.2 | 176.9 | -62.9 | 169.7 | 0 | 0 | 0 | 110.9 | L330 F331 I707 T737 Q740 Y741 | L330-L703 HydrophobicContact CD2-CD1 4.45Å; L330-L703 HydrophobicContact CD2-CD2 3.76Å; F331-L703 HydrophobicContact CE1-CD1 4.38Å; L703-I707 HydrophobicContact CB-CD1 4.37Å; L703-I707 HydrophobicContact CB-CG2 4.11Å; L703-I707 HydrophobicContact CD1-CD1 4.27Å; L703-I707 HydrophobicContact CD2-CD1 3.97Å; L703-I707 HydrophobicContact CG-CD1 4.44Å; L703-T737 HydrophobicContact CB-CG2 4.05Å; L703-T737 HydrophobicContact CD1-CG2 3.61Å; L703-T737 HydrophobicContact CG-CG2 4.44Å; L703-Q740 PolarHBondContact O-NE2 3.34Å; L703-Y741 WeakPolarHBondContact O-CE2 3.49Å; L703-Y741 PolarHBondContact O-OH 3.3Å | ||
| 704 | P | 80.8 | Confident | 71.6 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | trans | -66.1 | 145.3 | 176.5 | -19.2 | 31.6 | 0 | 0 | 0 | 112.9 | F685 W696 Q706 I707 Y741 | F685-P704 HydrophobicContact CE1-CB 4.06Å; F685-P704 HydrophobicContact CE1-CG 4Å; F685-P704 HydrophobicContact CZ-CB 4.04Å; F685-P704 HydrophobicContact CZ-CG 4.3Å; W696-P704 HydrophobicContact CD2-CG 4.46Å; W696-P704 HydrophobicContact CE3-CG 3.91Å; W696-P704 HydrophobicContact CH2-CB 3.83Å; W696-P704 HydrophobicContact CH2-CG 3.78Å; W696-P704 HydrophobicContact CZ2-CB 4.39Å; W696-P704 HydrophobicContact CZ2-CG 4.31Å; W696-P704 HydrophobicContact CZ3-CB 4.08Å; W696-P704 HydrophobicContact CZ3-CG 3.57Å; P704-Q706 PolarHBondContact O-N 3.48Å; P704-Q706 VanDerWaalsContact O-N 3.14Å; P704-I707 VanDerWaalsContact O-CB 3.3Å; P704-I707 WeakPolarHBondContact O-CB 3.46Å; P704-I707 WeakPolarHBondContact O-CG2 3.44Å; P704-I707 PolarHBondContact O-N 3.37Å; P704-Y741 VanDerWaalsContact CA-OH 3.25Å; P704-Y741 WeakPolarHBondContact CA-OH 3.33Å | ||
| 705 | A | 83.6 | Confident | 73.2 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q104 W107 L108 I707 V708 Y741 | Q104-A705 HydrophobicContact CB-CB 4.11Å; Q104-A705 HydrophobicContact CG-CB 4.34Å; W107-A705 HydrophobicContact CB-CB 3.85Å; L108-A705 HydrophobicContact CD2-CB 4.1Å; L108-A705 HydrophobicContact CG-CB 4.39Å; A705-I707 PolarHBondContact O-N 3.05Å; A705-V708 WeakPolarHBondContact O-CB 3.48Å; A705-V708 WeakPolarHBondContact O-CG2 3.43Å; A705-V708 PolarHBondContact O-N 3.46Å; A705-Y741 VanDerWaalsContact CA-CE2 3.49Å; A705-Y741 HydrophobicContact CB-CD2 4.15Å; A705-Y741 HydrophobicContact CB-CE1 4.22Å; A705-Y741 HydrophobicContact CB-CE2 3.75Å; A705-Y741 PolarHBondContact N-OH 3.22Å |
| 706 | Q | 86.4 | Confident | 75.1 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23 | 177.2 | -60.7 | 84.9 | -10.5 | 0 | 0 | 113.3 | W107 F685 P704 V708 V709 | W107-Q706 HydrophobicContact CB-CG 4.48Å; W107-Q706 HydrophobicContact CD2-CB 4.3Å; W107-Q706 HydrophobicContact CD2-CG 3.49Å; W107-Q706 VanDerWaalsContact CD2-CG 3.49Å; W107-Q706 HydrophobicContact CE3-CB 4.21Å; W107-Q706 HydrophobicContact CE3-CG 3.78Å; W107-Q706 HydrophobicContact CG-CG 3.77Å; W107-Q706 HydrophobicContact CH2-CG 4.4Å; W107-Q706 HydrophobicContact CZ2-CG 4.16Å; W107-Q706 HydrophobicContact CZ3-CG 4.21Å; F685-Q706 HydrophobicContact CE1-CB 4.45Å; F685-Q706 HydrophobicContact CE2-CB 3.76Å; F685-Q706 HydrophobicContact CZ-CB 3.5Å; F685-Q706 HydrophobicContact CZ-CG 4.41Å; P704-Q706 PolarHBondContact O-N 3.48Å; P704-Q706 VanDerWaalsContact O-N 3.14Å; Q706-V708 PolarHBondContact O-N 2.93Å; Q706-V708 VanDerWaalsContact O-N 3.13Å; Q706-V709 PolarHBondContact O-N 2.91Å; Q706-V709 VanDerWaalsContact O-N 3.16Å |
| 707 | I | 87.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -25.9 | -179.3 | -155.1 | 172.5 | 0 | 0 | 0 | 112 | I682 F685 I686 L703 P704 A705 V709 Y710 L711 T737 | I682-I707 HydrophobicContact CG2-CD1 4.2Å; I682-I707 HydrophobicContact CG2-CG1 4.46Å; F685-I707 HydrophobicContact CD1-CB 4.21Å; F685-I707 HydrophobicContact CD1-CG1 4.01Å; F685-I707 HydrophobicContact CE1-CB 3.86Å; F685-I707 HydrophobicContact CE1-CG1 4.17Å; I686-I707 HydrophobicContact CD1-CD1 3.9Å; I686-I707 HydrophobicContact CG1-CD1 3.81Å; L703-I707 HydrophobicContact CB-CD1 4.37Å; L703-I707 HydrophobicContact CB-CG2 4.11Å; L703-I707 HydrophobicContact CD1-CD1 4.27Å; L703-I707 HydrophobicContact CD2-CD1 3.97Å; L703-I707 HydrophobicContact CG-CD1 4.44Å; P704-I707 VanDerWaalsContact O-CB 3.3Å; P704-I707 WeakPolarHBondContact O-CB 3.46Å; P704-I707 WeakPolarHBondContact O-CG2 3.44Å; P704-I707 PolarHBondContact O-N 3.37Å; A705-I707 PolarHBondContact O-N 3.05Å; I707-V709 PolarHBondContact O-N 2.91Å; I707-Y710 PolarHBondContact O-N 2.99Å; I707-Y710 VanDerWaalsContact O-N 3.08Å; I707-L711 HydrophobicContact CG1-CD1 4.36Å; I707-L711 HydrophobicContact CG1-CG 4.25Å; I707-L711 HydrophobicContact CG2-CD1 3.99Å; I707-L711 WeakPolarHBondContact O-CG 3.32Å; I707-L711 PolarHBondContact O-N 3.4Å; I707-T737 HydrophobicContact CG2-CG2 4.04Å |
| 708 | V | 89.5 | Confident | 78.4 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.5 | -38.2 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L108 A705 Q706 L711 Q712 L734 Y738 | L108-V708 HydrophobicContact CD2-CG2 4.07Å; A705-V708 WeakPolarHBondContact O-CB 3.48Å; A705-V708 WeakPolarHBondContact O-CG2 3.43Å; A705-V708 PolarHBondContact O-N 3.46Å; Q706-V708 PolarHBondContact O-N 2.93Å; Q706-V708 VanDerWaalsContact O-N 3.13Å; V708-L711 PolarHBondContact O-N 3.47Å; V708-Q712 HydrophobicContact CG1-CG 4.38Å; V708-Q712 WeakPolarHBondContact O-CB 3.43Å; V708-Q712 VanDerWaalsContact O-CG 3.24Å; V708-Q712 WeakPolarHBondContact O-CG 3.4Å; V708-Q712 PolarHBondContact O-N 3.41Å; V708-L734 HydrophobicContact CB-CD2 4.42Å; V708-L734 HydrophobicContact CG1-CD2 4.07Å; V708-L734 HydrophobicContact CG2-CD2 4.48Å; V708-Y738 HydrophobicContact CG1-CE1 4.03Å; V708-Y738 HydrophobicContact CG1-CE2 4.46Å; V708-Y738 WeakPolarHBondContact CG1-OH 3.49Å; V708-Y738 HydrophobicContact CG2-CE1 4.27Å |
| 709 | V | 87.8 | Confident | 80.5 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | W107 L113 Q706 I707 Q712 Q713 | W107-V709 HydrophobicContact CE3-CG2 4.36Å; L113-V709 HydrophobicContact CD1-CG2 3.7Å; Q706-V709 PolarHBondContact O-N 2.91Å; Q706-V709 VanDerWaalsContact O-N 3.16Å; I707-V709 PolarHBondContact O-N 2.91Å; V709-Q712 PolarHBondContact O-N 2.99Å; V709-Q713 WeakPolarHBondContact O-CG 3.42Å; V709-Q713 PolarHBondContact O-N 2.88Å |
| 710 | Y | 87.8 | Confident | 82.5 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.2 | -35 | -178.6 | -59 | -76.1 | 0 | 0 | 0 | 112.2 | L665 R681 F685 I707 Q713 A714 | L665-Y710 HydrophobicContact CD2-CE1 3.99Å; L665-Y710 HydrophobicContact CG-CE1 3.86Å; R681-Y710 HydrophobicContact CB-CD1 4.43Å; F685-Y710 HydrophobicContact CB-CD2 4.21Å; F685-Y710 HydrophobicContact CB-CE2 4.13Å; F685-Y710 HydrophobicContact CD1-CD2 4.29Å; F685-Y710 HydrophobicContact CD1-CE2 4.45Å; F685-Y710 AromaticContact CD2-CD2 3.89Å; F685-Y710 HydrophobicContact CD2-CD2 3.89Å; F685-Y710 AromaticContact CD2-CE2 3.26Å; F685-Y710 HydrophobicContact CD2-CE2 3.26Å; F685-Y710 AromaticContact CD2-CZ 3.99Å; F685-Y710 AromaticContact CE2-CE2 3.85Å; F685-Y710 HydrophobicContact CE2-CE2 3.85Å; F685-Y710 AromaticContact CG-CD2 3.82Å; F685-Y710 HydrophobicContact CG-CD2 3.82Å; F685-Y710 AromaticContact CG-CE2 3.66Å; F685-Y710 HydrophobicContact CG-CE2 3.66Å; I707-Y710 PolarHBondContact O-N 2.99Å; I707-Y710 VanDerWaalsContact O-N 3.08Å; Y710-Q713 PolarHBondContact O-N 3.27Å; Y710-A714 WeakPolarHBondContact O-CB 3.27Å; Y710-A714 PolarHBondContact O-N 2.89Å |
| 711 | L | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 173.6 | -70 | 175.2 | 0 | 0 | 0 | 112.1 | F331 I682 I707 V708 A714 L715 L730 L734 T737 | F331-L711 HydrophobicContact CE2-CD2 4.34Å; F331-L711 HydrophobicContact CZ-CD1 4.28Å; F331-L711 HydrophobicContact CZ-CD2 3.75Å; I682-L711 HydrophobicContact CD1-CD2 3.83Å; I707-L711 HydrophobicContact CG1-CD1 4.36Å; I707-L711 HydrophobicContact CG1-CG 4.25Å; I707-L711 HydrophobicContact CG2-CD1 3.99Å; I707-L711 WeakPolarHBondContact O-CG 3.32Å; I707-L711 PolarHBondContact O-N 3.4Å; V708-L711 PolarHBondContact O-N 3.47Å; L711-A714 PolarHBondContact O-N 2.59Å; L711-L715 WeakPolarHBondContact O-CB 3.06Å; L711-L715 PolarHBondContact O-N 3.29Å; L711-L730 HydrophobicContact CD2-CD2 3.9Å; L711-L734 HydrophobicContact CB-CD2 3.55Å; L711-L734 HydrophobicContact CB-CG 3.94Å; L711-L734 HydrophobicContact CD1-CD2 4.07Å; L711-L734 HydrophobicContact CD1-CG 4.46Å; L711-L734 HydrophobicContact CG-CD2 4.48Å; L711-T737 HydrophobicContact CD1-CG2 4.33Å |
| 712 | Q | 89.6 | Confident | 85.4 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 173.5 | -76.1 | 177.5 | -10.2 | 0 | 0 | 112.3 | V708 V709 L715 A716 L734 Y738 | V708-Q712 HydrophobicContact CG1-CG 4.38Å; V708-Q712 WeakPolarHBondContact O-CB 3.43Å; V708-Q712 VanDerWaalsContact O-CG 3.24Å; V708-Q712 WeakPolarHBondContact O-CG 3.4Å; V708-Q712 PolarHBondContact O-N 3.41Å; V709-Q712 PolarHBondContact O-N 2.99Å; Q712-L715 PolarHBondContact O-N 3.47Å; Q712-A716 PolarHBondContact O-N 3.08Å; Q712-L734 HydrophobicContact CG-CD1 4.08Å; Q712-L734 HydrophobicContact CG-CD2 4.17Å; Q712-Y738 PolarHBondContact NE2-OH 3.48Å; Q712-Y738 VanDerWaalsContact NE2-OH 3.09Å |
| 713 | Q | 88.3 | Confident | 86.5 | Confident | 74 Ų | 74 | 39.3 Ų | 39.3 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 173.1 | -74.1 | 171.8 | -20.3 | 0 | 0 | 110.9 | V709 Y710 L715 A716 V717 | V709-Q713 WeakPolarHBondContact O-CG 3.42Å; V709-Q713 PolarHBondContact O-N 2.88Å; Y710-Q713 PolarHBondContact O-N 3.27Å; Q713-L715 VanDerWaalsContact C-N 3.26Å; Q713-L715 PolarHBondContact O-N 3.45Å; Q713-A716 PolarHBondContact O-N 3.16Å; Q713-A716 VanDerWaalsContact O-N 3.16Å; Q713-V717 WeakPolarHBondContact O-CG2 3.39Å; Q713-V717 PolarHBondContact O-N 3.22Å; Q713-V717 VanDerWaalsContact O-N 3.16Å |
| 714 | A | 89.1 | Confident | 87 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A678 I682 Y710 L711 V717 A718 L730 | A678-A714 HydrophobicContact CB-CB 3.8Å; I682-A714 HydrophobicContact CD1-CB 3.95Å; Y710-A714 WeakPolarHBondContact O-CB 3.27Å; Y710-A714 PolarHBondContact O-N 2.89Å; L711-A714 PolarHBondContact O-N 2.59Å; A714-V717 PolarHBondContact O-N 3.47Å; A714-A718 PolarHBondContact O-N 3.13Å; A714-L730 HydrophobicContact CB-CD1 3.84Å; A714-L730 HydrophobicContact CB-CD2 4.04Å |
| 715 | L | 90.4 | Very high | 87.2 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.2 | 178.2 | 62.7 | 0 | 0 | 0 | 111.2 | L711 Q712 Q713 V717 A718 E719 Q727 L730 L734 | L711-L715 WeakPolarHBondContact O-CB 3.06Å; L711-L715 PolarHBondContact O-N 3.29Å; Q712-L715 PolarHBondContact O-N 3.47Å; Q713-L715 VanDerWaalsContact C-N 3.26Å; Q713-L715 PolarHBondContact O-N 3.45Å; L715-V717 VanDerWaalsContact C-N 3.27Å; L715-V717 PolarHBondContact O-N 3.32Å; L715-A718 WeakPolarHBondContact O-CB 3.46Å; L715-A718 PolarHBondContact O-N 2.9Å; L715-A718 VanDerWaalsContact O-N 3.13Å; L715-E719 HydrophobicContact CD1-CG 4.47Å; L715-E719 WeakPolarHBondContact O-CG 3.39Å; L715-E719 PolarHBondContact O-N 3.31Å; L715-Q727 HydrophobicContact CD1-CB 4.04Å; L715-Q727 HydrophobicContact CD1-CG 4.25Å; L715-L730 HydrophobicContact CB-CB 4.31Å; L715-L730 HydrophobicContact CB-CD1 4.36Å; L715-L730 HydrophobicContact CD1-CB 4.21Å; L715-L734 HydrophobicContact CD2-CD1 3.99Å |
| 716 | A | 89.9 | Confident | 87.3 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q712 Q713 Q720 | Q712-A716 PolarHBondContact O-N 3.08Å; Q713-A716 PolarHBondContact O-N 3.16Å; Q713-A716 VanDerWaalsContact O-N 3.16Å; A716-Q720 VanDerWaalsContact O-CG 3.31Å; A716-Q720 WeakPolarHBondContact O-CG 3.49Å; A716-Q720 PolarHBondContact O-N 3.16Å; A716-Q720 VanDerWaalsContact O-N 3.1Å |
| 717 | V | 89.1 | Confident | 87.4 | Confident | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 174 | -178 | 0 | 0 | 0 | 0 | 111.2 | D672 L675 Q713 A714 L715 E719 Q720 G721 | D672-V717 HydrophobicContact CB-CG2 3.53Å; D672-V717 WeakPolarHBondContact O-CG2 3.39Å; L675-V717 HydrophobicContact CD2-CB 4.15Å; L675-V717 HydrophobicContact CD2-CG1 4.03Å; L675-V717 HydrophobicContact CG-CG1 4.31Å; Q713-V717 WeakPolarHBondContact O-CG2 3.39Å; Q713-V717 PolarHBondContact O-N 3.22Å; Q713-V717 VanDerWaalsContact O-N 3.16Å; A714-V717 PolarHBondContact O-N 3.47Å; L715-V717 VanDerWaalsContact C-N 3.27Å; L715-V717 PolarHBondContact O-N 3.32Å; V717-E719 VanDerWaalsContact C-N 3.29Å; V717-E719 PolarHBondContact O-N 3.43Å; V717-Q720 PolarHBondContact O-N 3Å; V717-G721 PolarHBondContact O-N 3.38Å |
| 718 | A | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L675 A714 L715 G721 D722 D723 M726 Q727 L730 | L675-A718 HydrophobicContact CD2-CB 3.78Å; A714-A718 PolarHBondContact O-N 3.13Å; L715-A718 WeakPolarHBondContact O-CB 3.46Å; L715-A718 PolarHBondContact O-N 2.9Å; L715-A718 VanDerWaalsContact O-N 3.13Å; A718-G721 PolarHBondContact O-N 3.02Å; A718-D722 PolarHBondContact O-N 3.35Å; A718-D723 PolarHBondContact O-N 3Å; A718-D723 VanDerWaalsContact O-N 3.11Å; A718-M726 HydrophobicContact CB-CB 4.18Å; A718-Q727 HydrophobicContact CB-CG 3.65Å; A718-Q727 PolarHBondContact O-NE2 3.19Å; A718-L730 HydrophobicContact CB-CD1 4.19Å |
| 719 | E | 88.1 | Confident | 87.2 | Confident | 98 Ų | 98 | 49 Ų | 49 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.4 | -74.2 | 176.3 | 176.6 | 0 | 0 | 112.1 | L715 V717 Q727 | L715-E719 HydrophobicContact CD1-CG 4.47Å; L715-E719 WeakPolarHBondContact O-CG 3.39Å; L715-E719 PolarHBondContact O-N 3.31Å; V717-E719 VanDerWaalsContact C-N 3.29Å; V717-E719 PolarHBondContact O-N 3.43Å; E719-Q727 HydrophobicContact CG-CG 4.14Å |
| 720 | Q | 87.9 | Confident | 87.3 | Confident | 153 Ų | 153 | 47.1 Ų | 47.1 | 72% | 0.715 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -69.7 | -32.7 | 176.5 | -71.1 | 173.3 | 13.1 | 0 | 0 | 113.1 | A716 V717 D722 | A716-Q720 VanDerWaalsContact O-CG 3.31Å; A716-Q720 WeakPolarHBondContact O-CG 3.49Å; A716-Q720 PolarHBondContact O-N 3.16Å; A716-Q720 VanDerWaalsContact O-N 3.1Å; V717-Q720 PolarHBondContact O-N 3Å; Q720-D722 VanDerWaalsContact C-N 3.35Å |
| 721 | G | 82.6 | Confident | 87.4 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | V717 A718 D723 | V717-G721 PolarHBondContact O-N 3.38Å; A718-G721 PolarHBondContact O-N 3.02Å; G721-D723 PolarHBondContact O-N 3.45Å; G721-D723 VanDerWaalsContact O-N 3.14Å |
| 722 | D | 81.6 | Confident | 87.2 | Confident | 131 Ų | 131 | 47 Ų | 47 | 70% | 0.701 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 27.2 | -174.4 | -67.9 | -34 | 0 | 0 | 0 | 114.4 | A718 Q720 I724 | A718-D722 PolarHBondContact O-N 3.35Å; Q720-D722 VanDerWaalsContact C-N 3.35Å; D722-I724 PolarHBondContact O-N 3.18Å |
| 723 | D | 85.3 | Confident | 87.1 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | trans | -83.5 | 82.3 | 176.4 | -167.4 | -24.1 | 0 | 0 | 0 | 110.6 | L675 A718 G721 K725 M726 Q727 | L675-D723 HydrophobicContact CD1-CB 4.16Å; A718-D723 PolarHBondContact O-N 3Å; A718-D723 VanDerWaalsContact O-N 3.11Å; G721-D723 PolarHBondContact O-N 3.45Å; G721-D723 VanDerWaalsContact O-N 3.14Å; D723-K725 PolarHBondContact O-N 3.46Å; D723-K725 PolarHBondContact OD1-N 3.26Å; D723-M726 HydrophobicContact CB-CB 4.15Å; D723-M726 HydrophobicContact CB-CG 4.3Å; D723-M726 PolarHBondContact O-N 3.28Å; D723-M726 VanDerWaalsContact O-N 3.17Å; D723-M726 WeakPolarHBondContact OD1-CG 3.42Å; D723-M726 PolarHBondContact OD1-N 3.43Å; D723-M726 WeakPolarHBondContact OD2-CG 3.3Å; D723-Q727 VanDerWaalsContact O-CG 3.32Å; D723-Q727 WeakPolarHBondContact O-CG 3.34Å; D723-Q727 PolarHBondContact O-N 3.03Å | ||
| 724 | I | 85.1 | Confident | 87.1 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 33% | 0.328 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.4 | -34.4 | -174.8 | -53.1 | 176.7 | 0 | 0 | 0 | 111.8 | D722 R728 T757 H760 I761 | D722-I724 PolarHBondContact O-N 3.18Å; I724-R728 PolarHBondContact O-N 2.97Å; I724-T757 VanDerWaalsContact CG2-O 3.23Å; I724-T757 WeakPolarHBondContact CG2-O 3.41Å; I724-H760 HydrophobicContact CD1-CB 4.42Å; I724-H760 HydrophobicContact CG2-CB 4.33Å; I724-I761 HydrophobicContact CB-CD1 4.44Å; I724-I761 HydrophobicContact CB-CG1 4.18Å; I724-I761 HydrophobicContact CG2-CD1 3.97Å; I724-I761 HydrophobicContact CG2-CG1 3.62Å |
| 725 | K | 84.7 | Confident | 87.1 | Confident | 110 Ų | 110 | 40.8 Ų | 40.8 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.1 | -46.3 | 179.5 | -173.3 | 178.4 | 178.2 | 178.4 | 0 | 111.2 | D723 R728 D729 I761 | D723-K725 PolarHBondContact O-N 3.46Å; D723-K725 PolarHBondContact OD1-N 3.26Å; K725-R728 WeakPolarHBondContact O-CB 3.01Å; K725-R728 PolarHBondContact O-N 2.56Å; K725-D729 PolarHBondContact O-N 2.92Å; K725-I761 HydrophobicContact CB-CD1 4.01Å; K725-I761 HydrophobicContact CG-CD1 4.45Å |
| 726 | M | 85.5 | Confident | 86.8 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -37.6 | 177.6 | -65.9 | -65.1 | -178.4 | 0 | 0 | 111.9 | L327 L675 F679 A718 D723 R728 D729 L730 | L327-M726 HydrophobicContact CD1-CE 3.87Å; L327-M726 HydrophobicContact CD1-SD 3.32Å; L327-M726 WeakPolarHBondContact CD1-SD 3.2Å; L675-M726 HydrophobicContact CD1-CB 4.08Å; L675-M726 HydrophobicContact CD1-CG 3.89Å; F679-M726 HydrophobicContact CE2-SD 4.42Å; F679-M726 HydrophobicContact CZ-SD 4.42Å; A718-M726 HydrophobicContact CB-CB 4.18Å; D723-M726 HydrophobicContact CB-CB 4.15Å; D723-M726 HydrophobicContact CB-CG 4.3Å; D723-M726 PolarHBondContact O-N 3.28Å; D723-M726 VanDerWaalsContact O-N 3.17Å; D723-M726 WeakPolarHBondContact OD1-CG 3.42Å; D723-M726 PolarHBondContact OD1-N 3.43Å; D723-M726 WeakPolarHBondContact OD2-CG 3.3Å; M726-R728 VanDerWaalsContact C-N 3.35Å; M726-R728 PolarHBondContact O-N 3.13Å; M726-D729 PolarHBondContact O-N 2.91Å; M726-L730 WeakPolarHBondContact O-CB 3.25Å; M726-L730 VanDerWaalsContact O-CG 3.25Å; M726-L730 WeakPolarHBondContact O-CG 2.91Å; M726-L730 PolarHBondContact O-N 3.15Å |
| 727 | Q | 88.8 | Confident | 86.5 | Confident | 23 Ų | 23 | 41 Ų | 41 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 173.1 | -68.9 | 169.1 | 27 | 0 | 0 | 111.4 | L715 A718 E719 D723 C731 T757 | L715-Q727 HydrophobicContact CD1-CB 4.04Å; L715-Q727 HydrophobicContact CD1-CG 4.25Å; A718-Q727 HydrophobicContact CB-CG 3.65Å; A718-Q727 PolarHBondContact O-NE2 3.19Å; E719-Q727 HydrophobicContact CG-CG 4.14Å; D723-Q727 VanDerWaalsContact O-CG 3.32Å; D723-Q727 WeakPolarHBondContact O-CG 3.34Å; D723-Q727 PolarHBondContact O-N 3.03Å; Q727-C731 WeakPolarHBondContact O-CB 3.43Å; Q727-C731 PolarHBondContact O-N 3.14Å; Q727-C731 PolarHBondContact O-SG 3.09Å; Q727-T757 HydrophobicContact CB-CG2 4.26Å |
| 728 | R | 88.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.1 | -52 | 175.4 | -178.5 | -151.8 | 62.9 | 179.6 | -9.4 | 111.6 | I724 K725 M726 L730 C731 L732 A754 T757 D765 | I724-R728 PolarHBondContact O-N 2.97Å; K725-R728 WeakPolarHBondContact O-CB 3.01Å; K725-R728 PolarHBondContact O-N 2.56Å; M726-R728 VanDerWaalsContact C-N 3.35Å; M726-R728 PolarHBondContact O-N 3.13Å; R728-L730 VanDerWaalsContact C-N 3.35Å; R728-L730 PolarHBondContact O-N 3.05Å; R728-C731 WeakPolarHBondContact O-CB 3.43Å; R728-C731 PolarHBondContact O-N 2.96Å; R728-L732 HydrophobicContact CG-CD1 4.29Å; R728-L732 WeakPolarHBondContact O-CG 3.24Å; R728-L732 PolarHBondContact O-N 2.71Å; R728-A754 HydrophobicContact CG-CB 4.37Å; R728-T757 WeakPolarHBondContact CA-OG1 3.38Å; R728-T757 WeakPolarHBondContact CB-OG1 3.35Å; R728-D765 WeakPolarHBondContact CD-O 3.45Å; R728-D765 IonicContact CZ-OD1 2.73Å; R728-D765 VanDerWaalsContact NH1-CA 3.35Å; R728-D765 PolarHBondContact NH1-O 2.98Å; R728-D765 IonicContact NH1-OD1 3.2Å; R728-D765 PolarHBondContact NH1-OD1 3.02Å; R728-D765 IonicContact NH2-OD1 3.93Å |
| 729 | D | 85.2 | Confident | 86.1 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | -175.4 | -68.3 | -15.4 | 0 | 0 | 0 | 112.2 | K725 M726 L732 G733 | K725-D729 PolarHBondContact O-N 2.92Å; M726-D729 PolarHBondContact O-N 2.91Å; D729-L732 PolarHBondContact O-N 3.26Å; D729-G733 PolarHBondContact O-N 3.27Å |
| 730 | L | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 175.9 | -69.3 | 168.8 | 0 | 0 | 0 | 112 | F679 L711 A714 L715 A718 M726 R728 G733 L734 | F679-L730 HydrophobicContact CE1-CD2 4.12Å; F679-L730 HydrophobicContact CZ-CD2 4.22Å; L711-L730 HydrophobicContact CD2-CD2 3.9Å; A714-L730 HydrophobicContact CB-CD1 3.84Å; A714-L730 HydrophobicContact CB-CD2 4.04Å; L715-L730 HydrophobicContact CB-CB 4.31Å; L715-L730 HydrophobicContact CB-CD1 4.36Å; L715-L730 HydrophobicContact CD1-CB 4.21Å; A718-L730 HydrophobicContact CB-CD1 4.19Å; M726-L730 WeakPolarHBondContact O-CB 3.25Å; M726-L730 VanDerWaalsContact O-CG 3.25Å; M726-L730 WeakPolarHBondContact O-CG 2.91Å; M726-L730 PolarHBondContact O-N 3.15Å; R728-L730 VanDerWaalsContact C-N 3.35Å; R728-L730 PolarHBondContact O-N 3.05Å; L730-G733 PolarHBondContact O-N 3.22Å; L730-L734 WeakPolarHBondContact O-CG 3.29Å; L730-L734 PolarHBondContact O-N 2.99Å |
| 731 | C | 90.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 173.6 | -77.3 | 0 | 0 | 0 | 0 | 112.3 | Q727 R728 L734 A735 A754 | Q727-C731 WeakPolarHBondContact O-CB 3.43Å; Q727-C731 PolarHBondContact O-N 3.14Å; Q727-C731 PolarHBondContact O-SG 3.09Å; R728-C731 WeakPolarHBondContact O-CB 3.43Å; R728-C731 PolarHBondContact O-N 2.96Å; C731-L734 PolarHBondContact O-N 2.8Å; C731-A735 WeakPolarHBondContact O-CB 3.42Å; C731-A735 PolarHBondContact O-N 2.91Å; C731-A754 HydrophobicContact CB-CB 3.72Å |
| 732 | L | 86.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 172.3 | -72.2 | 175.2 | 0 | 0 | 0 | 111.4 | R728 D729 L734 A735 L736 A754 A769 L772 | R728-L732 HydrophobicContact CG-CD1 4.29Å; R728-L732 WeakPolarHBondContact O-CG 3.24Å; R728-L732 PolarHBondContact O-N 2.71Å; D729-L732 PolarHBondContact O-N 3.26Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L732-L734 PolarHBondContact O-N 3.19Å; L732-A735 WeakPolarHBondContact O-CB 3.43Å; L732-A735 PolarHBondContact O-N 3.06Å; L732-A735 VanDerWaalsContact O-N 3.15Å; L732-L736 WeakPolarHBondContact O-CG 3.18Å; L732-L736 PolarHBondContact O-N 3.25Å; L732-A754 HydrophobicContact CD2-CB 3.91Å; L732-A754 HydrophobicContact CG-CB 3.98Å; L732-A769 HydrophobicContact CD2-CB 3.83Å; L732-L772 HydrophobicContact CD2-CD2 3.77Å |
| 733 | G | 85.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D729 L730 L736 T737 | D729-G733 PolarHBondContact O-N 3.27Å; L730-G733 PolarHBondContact O-N 3.22Å; G733-L736 PolarHBondContact O-N 3.33Å; G733-T737 VanDerWaalsContact O-CG2 3.3Å; G733-T737 WeakPolarHBondContact O-CG2 3.08Å; G733-T737 PolarHBondContact O-N 3.42Å; G733-T737 PolarHBondContact O-OG1 2.91Å |
| 734 | L | 89.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 173.4 | -75.2 | 172.1 | 0 | 0 | 0 | 111.8 | V708 L711 Q712 L715 L730 C731 L732 L736 T737 Y738 C750 | V708-L734 HydrophobicContact CB-CD2 4.42Å; V708-L734 HydrophobicContact CG1-CD2 4.07Å; V708-L734 HydrophobicContact CG2-CD2 4.48Å; L711-L734 HydrophobicContact CB-CD2 3.55Å; L711-L734 HydrophobicContact CB-CG 3.94Å; L711-L734 HydrophobicContact CD1-CD2 4.07Å; L711-L734 HydrophobicContact CD1-CG 4.46Å; L711-L734 HydrophobicContact CG-CD2 4.48Å; Q712-L734 HydrophobicContact CG-CD1 4.08Å; Q712-L734 HydrophobicContact CG-CD2 4.17Å; L715-L734 HydrophobicContact CD2-CD1 3.99Å; L730-L734 WeakPolarHBondContact O-CG 3.29Å; L730-L734 PolarHBondContact O-N 2.99Å; C731-L734 PolarHBondContact O-N 2.8Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L732-L734 PolarHBondContact O-N 3.19Å; L734-L736 PolarHBondContact O-N 3.07Å; L734-T737 WeakPolarHBondContact CA-OG1 3.03Å; L734-T737 PolarHBondContact O-N 3.43Å; L734-T737 PolarHBondContact O-OG1 2.89Å; L734-Y738 HydrophobicContact CB-CD2 4.45Å; L734-Y738 HydrophobicContact CB-CE2 4.39Å; L734-Y738 HydrophobicContact CD2-CE2 4.46Å; L734-Y738 WeakPolarHBondContact O-CB 3.46Å; L734-Y738 WeakPolarHBondContact O-CD2 3.19Å; L734-Y738 PolarHBondContact O-N 3.02Å; L734-C750 HydrophobicContact CB-CB 4.12Å |
| 735 | A | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C731 L732 Y738 Q739 A747 C750 A751 L772 L776 | C731-A735 WeakPolarHBondContact O-CB 3.42Å; C731-A735 PolarHBondContact O-N 2.91Å; L732-A735 WeakPolarHBondContact O-CB 3.43Å; L732-A735 PolarHBondContact O-N 3.06Å; L732-A735 VanDerWaalsContact O-N 3.15Å; A735-Y738 PolarHBondContact O-N 3.34Å; A735-Q739 WeakPolarHBondContact O-CB 3.23Å; A735-Q739 PolarHBondContact O-N 3.27Å; A735-A747 WeakPolarHBondContact O-CB 3.39Å; A735-C750 HydrophobicContact CB-CB 4.06Å; A735-A751 HydrophobicContact CB-CB 4.08Å; A735-L772 HydrophobicContact CB-CD2 3.93Å; A735-L776 HydrophobicContact CB-CD1 4.36Å |
| 736 | L | 83.6 | Confident | 85.3 | Confident | 54 Ų | 54 | 21.7 Ų | 21.7 | 28% | 0.283 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.1 | -69 | 172.6 | 0 | 0 | 0 | 112.3 | L732 G733 L734 Q739 Q740 L772 | L732-L736 WeakPolarHBondContact O-CG 3.18Å; L732-L736 PolarHBondContact O-N 3.25Å; G733-L736 PolarHBondContact O-N 3.33Å; L734-L736 PolarHBondContact O-N 3.07Å; L736-Q739 WeakPolarHBondContact O-CB 3.38Å; L736-Q739 PolarHBondContact O-N 2.74Å; L736-Q740 PolarHBondContact O-N 3.47Å; L736-L772 HydrophobicContact CD2-CD1 3.93Å; L736-L772 HydrophobicContact CD2-CD2 4.16Å; L736-L772 HydrophobicContact CG-CD2 4.25Å |
| 737 | T | 83.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | L703 I707 L711 G733 L734 Q739 Q740 Y741 | L703-T737 HydrophobicContact CB-CG2 4.05Å; L703-T737 HydrophobicContact CD1-CG2 3.61Å; L703-T737 HydrophobicContact CG-CG2 4.44Å; I707-T737 HydrophobicContact CG2-CG2 4.04Å; L711-T737 HydrophobicContact CD1-CG2 4.33Å; G733-T737 VanDerWaalsContact O-CG2 3.3Å; G733-T737 WeakPolarHBondContact O-CG2 3.08Å; G733-T737 PolarHBondContact O-N 3.42Å; G733-T737 PolarHBondContact O-OG1 2.91Å; L734-T737 WeakPolarHBondContact CA-OG1 3.03Å; L734-T737 PolarHBondContact O-N 3.43Å; L734-T737 PolarHBondContact O-OG1 2.89Å; T737-Q739 VanDerWaalsContact C-N 3.32Å; T737-Q739 PolarHBondContact O-N 3.21Å; T737-Q740 WeakPolarHBondContact O-CB 3.41Å; T737-Q740 PolarHBondContact O-N 3.28Å; T737-Y741 WeakPolarHBondContact O-CD2 3.33Å; T737-Y741 PolarHBondContact O-N 3.23Å |
| 738 | Y | 86.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 172.9 | -76.5 | -51.9 | 0 | 0 | 0 | 112.2 | L108 V708 Q712 L734 A735 Y741 G742 A743 K746 | L108-Y738 HydrophobicContact CB-CD1 4.42Å; L108-Y738 HydrophobicContact CB-CE1 4.05Å; L108-Y738 HydrophobicContact CD2-CD1 3.88Å; L108-Y738 HydrophobicContact CD2-CE1 3.98Å; L108-Y738 WeakPolarHBondContact O-CE1 3.35Å; V708-Y738 HydrophobicContact CG1-CE1 4.03Å; V708-Y738 HydrophobicContact CG1-CE2 4.46Å; V708-Y738 WeakPolarHBondContact CG1-OH 3.49Å; V708-Y738 HydrophobicContact CG2-CE1 4.27Å; Q712-Y738 PolarHBondContact NE2-OH 3.48Å; Q712-Y738 VanDerWaalsContact NE2-OH 3.09Å; L734-Y738 HydrophobicContact CB-CD2 4.45Å; L734-Y738 HydrophobicContact CB-CE2 4.39Å; L734-Y738 HydrophobicContact CD2-CE2 4.46Å; L734-Y738 WeakPolarHBondContact O-CB 3.46Å; L734-Y738 WeakPolarHBondContact O-CD2 3.19Å; L734-Y738 PolarHBondContact O-N 3.02Å; A735-Y738 PolarHBondContact O-N 3.34Å; Y738-Y741 CarbonylContact O-C 3.38Å; Y738-Y741 PolarHBondContact O-N 3.41Å; Y738-G742 CarbonylContact O-C 3.53Å; Y738-G742 PolarHBondContact O-N 3Å; Y738-A743 HydrophobicContact CD1-CB 3.81Å; Y738-A743 HydrophobicContact CG-CB 4.38Å; Y738-A743 PolarHBondContact O-N 2.96Å; Y738-K746 HydrophobicContact CD1-CB 3.97Å; Y738-K746 HydrophobicContact CD1-CD 4.38Å; Y738-K746 HydrophobicContact CD2-CB 3.88Å; Y738-K746 HydrophobicContact CE1-CB 4.07Å; Y738-K746 HydrophobicContact CE1-CD 3.87Å; Y738-K746 HydrophobicContact CE2-CB 3.97Å; Y738-K746 HydrophobicContact CG-CB 3.88Å |
| 739 | Q | 82.8 | Confident | 85.9 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 12% | 0.121 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 174.4 | 178.9 | -176.1 | -27.3 | 0 | 0 | 111.9 | A735 L736 T737 Y741 G742 L776 | A735-Q739 WeakPolarHBondContact O-CB 3.23Å; A735-Q739 PolarHBondContact O-N 3.27Å; L736-Q739 WeakPolarHBondContact O-CB 3.38Å; L736-Q739 PolarHBondContact O-N 2.74Å; T737-Q739 VanDerWaalsContact C-N 3.32Å; T737-Q739 PolarHBondContact O-N 3.21Å; Q739-Y741 VanDerWaalsContact C-N 3.27Å; Q739-Y741 PolarHBondContact O-N 3.11Å; Q739-G742 PolarHBondContact O-N 3.41Å; Q739-L776 HydrophobicContact CB-CD2 4.03Å; Q739-L776 HydrophobicContact CG-CD2 4.01Å |
| 740 | Q | 77.5 | Confident | 86.2 | Confident | 35 Ų | 35 | 26 Ų | 26 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 177.7 | 179.8 | -168.2 | -38.6 | 0 | 0 | 111.4 | S701 L702 L703 L736 T737 G742 | S701-Q740 PolarHBondContact O-OE1 3.05Å; L702-Q740 HydrophobicContact CD2-CG 3.71Å; L703-Q740 PolarHBondContact O-NE2 3.34Å; L736-Q740 PolarHBondContact O-N 3.47Å; T737-Q740 WeakPolarHBondContact O-CB 3.41Å; T737-Q740 PolarHBondContact O-N 3.28Å; Q740-G742 VanDerWaalsContact C-N 3.32Å |
| 741 | Y | 77.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 26 Ų | 26 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.8 | 177.5 | -68.5 | -71.3 | 0 | 0 | 0 | 113.8 | Q104 L108 R355 L703 P704 A705 T737 Y738 Q739 A743 | Q104-Y741 HydrophobicContact CB-CD1 4.44Å; Q104-Y741 HydrophobicContact CB-CE1 4.49Å; Q104-Y741 HydrophobicContact CG-CE1 4.14Å; L108-Y741 HydrophobicContact CD1-CG 4.19Å; L108-Y741 HydrophobicContact CD2-CD2 3.99Å; L108-Y741 HydrophobicContact CD2-CG 4.23Å; R355-Y741 PolarHBondContact NE-O 3.4Å; R355-Y741 PolarHBondContact NH2-O 3.17Å; L703-Y741 WeakPolarHBondContact O-CE2 3.49Å; L703-Y741 PolarHBondContact O-OH 3.3Å; P704-Y741 VanDerWaalsContact CA-OH 3.25Å; P704-Y741 WeakPolarHBondContact CA-OH 3.33Å; A705-Y741 VanDerWaalsContact CA-CE2 3.49Å; A705-Y741 HydrophobicContact CB-CD2 4.15Å; A705-Y741 HydrophobicContact CB-CE1 4.22Å; A705-Y741 HydrophobicContact CB-CE2 3.75Å; A705-Y741 PolarHBondContact N-OH 3.22Å; T737-Y741 WeakPolarHBondContact O-CD2 3.33Å; T737-Y741 PolarHBondContact O-N 3.23Å; Y738-Y741 CarbonylContact O-C 3.38Å; Y738-Y741 PolarHBondContact O-N 3.41Å; Q739-Y741 VanDerWaalsContact C-N 3.27Å; Q739-Y741 PolarHBondContact O-N 3.11Å; Y741-A743 VanDerWaalsContact C-N 3.29Å; Y741-A743 PolarHBondContact O-N 2.92Å |
| 742 | G | 76.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 12.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R355 Y738 Q739 Q740 L744 | R355-G742 VanDerWaalsContact NE-C 3.28Å; R355-G742 PolarHBondContact NE-O 3.08Å; R355-G742 PolarHBondContact NH1-O 3.45Å; R355-G742 PolarHBondContact NH2-O 2.9Å; Y738-G742 CarbonylContact O-C 3.53Å; Y738-G742 PolarHBondContact O-N 3Å; Q739-G742 PolarHBondContact O-N 3.41Å; Q740-G742 VanDerWaalsContact C-N 3.32Å; G742-L744 PolarHBondContact O-N 2.87Å |
| 743 | A | 84.3 | Confident | 86.7 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 10% | 0.099 | 15% | 0.154 | C | C | . | . | trans | -79.7 | 61.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L108 R355 Y738 Y741 D745 K746 A747 | L108-A743 HydrophobicContact CD1-CB 4.25Å; R355-A743 VanDerWaalsContact NH2-CB 3.31Å; Y738-A743 HydrophobicContact CD1-CB 3.81Å; Y738-A743 HydrophobicContact CG-CB 4.38Å; Y738-A743 PolarHBondContact O-N 2.96Å; Y741-A743 VanDerWaalsContact C-N 3.29Å; Y741-A743 PolarHBondContact O-N 2.92Å; A743-D745 VanDerWaalsContact C-N 3.31Å; A743-D745 PolarHBondContact O-N 3.29Å; A743-K746 PolarHBondContact O-N 3.06Å; A743-K746 VanDerWaalsContact O-N 3.12Å; A743-A747 PolarHBondContact O-N 3.02Å | ||
| 744 | L | 85.4 | Confident | 87 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 12% | 0.12 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | -165.5 | -59.2 | 178.4 | 0 | 0 | 0 | 113.1 | G742 K746 A747 V748 L776 L779 T780 | G742-L744 PolarHBondContact O-N 2.87Å; L744-K746 VanDerWaalsContact C-N 3.33Å; L744-K746 PolarHBondContact O-N 3.29Å; L744-A747 WeakPolarHBondContact O-CB 3.38Å; L744-A747 PolarHBondContact O-N 2.92Å; L744-V748 WeakPolarHBondContact O-CG2 3.43Å; L744-V748 PolarHBondContact O-N 3.16Å; L744-L776 HydrophobicContact CD2-CD2 4.39Å; L744-L779 HydrophobicContact CD1-CB 4.17Å; L744-L779 HydrophobicContact CD2-CD1 4.47Å; L744-T780 HydrophobicContact CB-CG2 3.48Å; L744-T780 VanDerWaalsContact CB-CG2 3.48Å; L744-T780 HydrophobicContact CD1-CG2 4.05Å; L744-T780 HydrophobicContact CG-CG2 4.38Å |
| 745 | D | 87.9 | Confident | 87 | Confident | 110 Ų | 110 | 33.4 Ų | 33.4 | 59% | 0.588 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.3 | -39 | 178.6 | -57.8 | -41.4 | 0 | 0 | 0 | 112.5 | A743 R749 | A743-D745 VanDerWaalsContact C-N 3.31Å; A743-D745 PolarHBondContact O-N 3.29Å; D745-R749 WeakPolarHBondContact O-CG 3.41Å; D745-R749 PolarHBondContact O-N 2.94Å |
| 746 | K | 89.6 | Confident | 87 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 23% | 0.226 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.8 | -38.2 | 175.8 | -68.6 | -179.5 | 172.9 | 174.4 | 0 | 111.1 | L108 D109 Y738 A743 L744 V748 R749 C750 | L108-K746 WeakPolarHBondContact O-CD 3.5Å; L108-K746 PolarHBondContact O-NZ 3.46Å; D109-K746 VanDerWaalsContact CA-NZ 3.26Å; D109-K746 IonicContact OD1-NZ 2.98Å; D109-K746 PolarHBondContact OD1-NZ 3.32Å; D109-K746 IonicContact OD2-NZ 3.36Å; Y738-K746 HydrophobicContact CD1-CB 3.97Å; Y738-K746 HydrophobicContact CD1-CD 4.38Å; Y738-K746 HydrophobicContact CD2-CB 3.88Å; Y738-K746 HydrophobicContact CE1-CB 4.07Å; Y738-K746 HydrophobicContact CE1-CD 3.87Å; Y738-K746 HydrophobicContact CE2-CB 3.97Å; Y738-K746 HydrophobicContact CG-CB 3.88Å; A743-K746 PolarHBondContact O-N 3.06Å; A743-K746 VanDerWaalsContact O-N 3.12Å; L744-K746 VanDerWaalsContact C-N 3.33Å; L744-K746 PolarHBondContact O-N 3.29Å; K746-V748 PolarHBondContact O-N 3.39Å; K746-R749 PolarHBondContact O-N 3.29Å; K746-C750 PolarHBondContact O-N 2.87Å; K746-C750 VanDerWaalsContact O-N 3.09Å; K746-C750 PolarHBondContact O-SG 3.16Å |
| 747 | A | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A735 A743 L744 R749 C750 A751 L776 | A735-A747 WeakPolarHBondContact O-CB 3.39Å; A743-A747 PolarHBondContact O-N 3.02Å; L744-A747 WeakPolarHBondContact O-CB 3.38Å; L744-A747 PolarHBondContact O-N 2.92Å; A747-R749 VanDerWaalsContact C-N 3.34Å; A747-R749 PolarHBondContact O-N 3.13Å; A747-C750 PolarHBondContact O-N 3.49Å; A747-A751 WeakPolarHBondContact O-CB 3.26Å; A747-A751 PolarHBondContact O-N 3.47Å; A747-L776 HydrophobicContact CB-CD1 3.92Å; A747-L776 HydrophobicContact CB-CD2 3.96Å |
| 748 | V | 92.4 | Very high | 87.1 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.7 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L744 K746 A751 Q752 L773 L776 L777 T780 | L744-V748 WeakPolarHBondContact O-CG2 3.43Å; L744-V748 PolarHBondContact O-N 3.16Å; K746-V748 PolarHBondContact O-N 3.39Å; V748-A751 PolarHBondContact O-N 2.95Å; V748-Q752 HydrophobicContact CG1-CG 4.48Å; V748-Q752 VanDerWaalsContact O-CG 3.29Å; V748-Q752 WeakPolarHBondContact O-CG 3.25Å; V748-Q752 PolarHBondContact O-N 3.29Å; V748-L773 HydrophobicContact CG1-CD1 3.97Å; V748-L776 HydrophobicContact CG2-CB 3.77Å; V748-L777 HydrophobicContact CG1-CD2 3.98Å; V748-L777 HydrophobicContact CG2-CD2 4.43Å; V748-T780 HydrophobicContact CG2-CG2 4.17Å |
| 749 | R | 92.6 | Very high | 87 | Confident | 164 Ų | 164 | 40.8 Ų | 40.8 | 62% | 0.619 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.4 | -45.8 | 177.6 | -68.2 | 178.5 | -165.4 | 174.1 | 3.1 | 112.3 | D745 K746 A747 A751 Q752 Q753 | D745-R749 WeakPolarHBondContact O-CG 3.41Å; D745-R749 PolarHBondContact O-N 2.94Å; K746-R749 PolarHBondContact O-N 3.29Å; A747-R749 VanDerWaalsContact C-N 3.34Å; A747-R749 PolarHBondContact O-N 3.13Å; R749-A751 VanDerWaalsContact C-N 3.34Å; R749-A751 PolarHBondContact O-N 3.28Å; R749-Q752 WeakPolarHBondContact O-CB 3.19Å; R749-Q752 PolarHBondContact O-N 3.48Å; R749-Q753 WeakPolarHBondContact O-CG 3.41Å; R749-Q753 PolarHBondContact O-N 2.89Å |
| 750 | C | 91.9 | Very high | 86.9 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.081 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | L734 A735 K746 A747 Q753 A754 | L734-C750 HydrophobicContact CB-CB 4.12Å; A735-C750 HydrophobicContact CB-CB 4.06Å; K746-C750 PolarHBondContact O-N 2.87Å; K746-C750 VanDerWaalsContact O-N 3.09Å; K746-C750 PolarHBondContact O-SG 3.16Å; A747-C750 PolarHBondContact O-N 3.49Å; C750-Q753 PolarHBondContact O-N 3.18Å; C750-A754 PolarHBondContact O-N 3.34Å |
| 751 | A | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A735 A747 V748 R749 A754 V755 L773 L776 | A735-A751 HydrophobicContact CB-CB 4.08Å; A747-A751 WeakPolarHBondContact O-CB 3.26Å; A747-A751 PolarHBondContact O-N 3.47Å; V748-A751 PolarHBondContact O-N 2.95Å; R749-A751 VanDerWaalsContact C-N 3.34Å; R749-A751 PolarHBondContact O-N 3.28Å; A751-A754 PolarHBondContact O-N 2.81Å; A751-V755 WeakPolarHBondContact O-CG2 3.39Å; A751-V755 PolarHBondContact O-N 3.35Å; A751-L773 HydrophobicContact CB-CB 4.06Å; A751-L773 HydrophobicContact CB-CD1 4.12Å; A751-L776 HydrophobicContact CB-CD1 3.71Å |
| 752 | Q | 92.8 | Very high | 87.1 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 29% | 0.285 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 172.2 | -76.5 | 169.4 | -17.2 | 0 | 0 | 111.7 | V748 R749 A754 V755 E756 L773 | V748-Q752 HydrophobicContact CG1-CG 4.48Å; V748-Q752 VanDerWaalsContact O-CG 3.29Å; V748-Q752 WeakPolarHBondContact O-CG 3.25Å; V748-Q752 PolarHBondContact O-N 3.29Å; R749-Q752 WeakPolarHBondContact O-CB 3.19Å; R749-Q752 PolarHBondContact O-N 3.48Å; Q752-A754 VanDerWaalsContact C-N 3.3Å; Q752-A754 PolarHBondContact O-N 3.23Å; Q752-V755 WeakPolarHBondContact O-CB 3.47Å; Q752-V755 PolarHBondContact O-N 2.87Å; Q752-V755 VanDerWaalsContact O-N 3.12Å; Q752-E756 WeakPolarHBondContact O-CG 3.35Å; Q752-E756 PolarHBondContact O-N 3.23Å; Q752-L773 HydrophobicContact CG-CD1 3.69Å; Q752-L773 HydrophobicContact CG-CD2 3.73Å; Q752-L773 HydrophobicContact CG-CG 4.39Å |
| 753 | Q | 91.9 | Very high | 87 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 175.4 | -70.2 | 176.4 | -43 | 0 | 0 | 111.8 | R749 C750 V755 E756 T757 | R749-Q753 WeakPolarHBondContact O-CG 3.41Å; R749-Q753 PolarHBondContact O-N 2.89Å; C750-Q753 PolarHBondContact O-N 3.18Å; Q753-V755 VanDerWaalsContact C-N 3.34Å; Q753-V755 PolarHBondContact O-N 3.4Å; Q753-E756 PolarHBondContact O-N 3.16Å; Q753-T757 WeakPolarHBondContact O-CG2 3.27Å; Q753-T757 PolarHBondContact O-N 3.32Å; Q753-T757 PolarHBondContact O-OG1 2.9Å; Q753-T757 VanDerWaalsContact O-OG1 3.06Å |
| 754 | A | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R728 C731 L732 C750 A751 Q752 T757 G758 A769 | R728-A754 HydrophobicContact CG-CB 4.37Å; C731-A754 HydrophobicContact CB-CB 3.72Å; L732-A754 HydrophobicContact CD2-CB 3.91Å; L732-A754 HydrophobicContact CG-CB 3.98Å; C750-A754 PolarHBondContact O-N 3.34Å; A751-A754 PolarHBondContact O-N 2.81Å; Q752-A754 VanDerWaalsContact C-N 3.3Å; Q752-A754 PolarHBondContact O-N 3.23Å; A754-T757 WeakPolarHBondContact CA-OG1 3.43Å; A754-T757 PolarHBondContact O-OG1 2.87Å; A754-G758 PolarHBondContact O-N 3.45Å; A754-A769 HydrophobicContact CB-CB 3.82Å |
| 755 | V | 90.4 | Very high | 85.8 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -45.2 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A751 Q752 Q753 G758 S759 A769 L773 | A751-V755 WeakPolarHBondContact O-CG2 3.39Å; A751-V755 PolarHBondContact O-N 3.35Å; Q752-V755 WeakPolarHBondContact O-CB 3.47Å; Q752-V755 PolarHBondContact O-N 2.87Å; Q752-V755 VanDerWaalsContact O-N 3.12Å; Q753-V755 VanDerWaalsContact C-N 3.34Å; Q753-V755 PolarHBondContact O-N 3.4Å; V755-G758 PolarHBondContact O-N 2.93Å; V755-S759 WeakPolarHBondContact O-CB 3.49Å; V755-S759 PolarHBondContact O-N 2.74Å; V755-A769 HydrophobicContact CB-CB 4.49Å; V755-A769 HydrophobicContact CG2-CB 3.71Å; V755-A769 WeakPolarHBondContact CG2-O 3.39Å; V755-L773 HydrophobicContact CG2-CB 4.21Å; V755-L773 HydrophobicContact CG2-CD2 3.92Å |
| 756 | E | 88.9 | Confident | 85.3 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.9 | -51.8 | 177.9 | -70.8 | 171 | -172.7 | 0 | 0 | 110.6 | Q752 Q753 S759 H760 | Q752-E756 WeakPolarHBondContact O-CG 3.35Å; Q752-E756 PolarHBondContact O-N 3.23Å; Q753-E756 PolarHBondContact O-N 3.16Å; E756-S759 PolarHBondContact O-N 2.95Å; E756-S759 PolarHBondContact O-OG 2.88Å; E756-H760 PolarHBondContact O-CD2 3.48Å |
| 757 | T | 86.5 | Confident | 85.1 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 178 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | I724 Q727 R728 Q753 A754 S759 H760 | I724-T757 VanDerWaalsContact CG2-O 3.23Å; I724-T757 WeakPolarHBondContact CG2-O 3.41Å; Q727-T757 HydrophobicContact CB-CG2 4.26Å; R728-T757 WeakPolarHBondContact CA-OG1 3.38Å; R728-T757 WeakPolarHBondContact CB-OG1 3.35Å; Q753-T757 WeakPolarHBondContact O-CG2 3.27Å; Q753-T757 PolarHBondContact O-N 3.32Å; Q753-T757 PolarHBondContact O-OG1 2.9Å; Q753-T757 VanDerWaalsContact O-OG1 3.06Å; A754-T757 WeakPolarHBondContact CA-OG1 3.43Å; A754-T757 PolarHBondContact O-OG1 2.87Å; T757-S759 VanDerWaalsContact C-N 3.31Å; T757-S759 PolarHBondContact O-N 3.44Å; T757-H760 WeakPolarHBondContact O-CB 3.49Å; T757-H760 PolarHBondContact O-N 3.32Å; T757-H760 VanDerWaalsContact O-N 3.14Å |
| 758 | G | 83.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | A754 V755 H760 I761 N762 | A754-G758 PolarHBondContact O-N 3.45Å; V755-G758 PolarHBondContact O-N 2.93Å; G758-H760 PolarHBondContact O-N 3.35Å; G758-I761 PolarHBondContact O-N 3.11Å; G758-N762 PolarHBondContact O-N 3.28Å; G758-N762 VanDerWaalsContact O-O 3.14Å |
| 759 | S | 82.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -24.6 | 177.1 | 77.4 | 0 | 0 | 0 | 0 | 113.6 | V755 E756 T757 | V755-S759 WeakPolarHBondContact O-CB 3.49Å; V755-S759 PolarHBondContact O-N 2.74Å; E756-S759 PolarHBondContact O-N 2.95Å; E756-S759 PolarHBondContact O-OG 2.88Å; T757-S759 VanDerWaalsContact C-N 3.31Å; T757-S759 PolarHBondContact O-N 3.44Å |
| 760 | H | 81.5 | Confident | 84.1 | Confident | 141 Ų | 141 | 53.6 Ų | 53.6 | 65% | 0.653 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -80.4 | -17.2 | 175.1 | -67.4 | -60.1 | 0 | 0 | 0 | 113.5 | I724 E756 T757 G758 | I724-H760 HydrophobicContact CD1-CB 4.42Å; I724-H760 HydrophobicContact CG2-CB 4.33Å; E756-H760 PolarHBondContact O-CD2 3.48Å; T757-H760 WeakPolarHBondContact O-CB 3.49Å; T757-H760 PolarHBondContact O-N 3.32Å; T757-H760 VanDerWaalsContact O-N 3.14Å; G758-H760 PolarHBondContact O-N 3.35Å |
| 761 | I | 81.3 | Confident | 84 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -88.5 | -71.5 | 179.1 | -53.6 | 171.1 | 0 | 0 | 0 | 109.5 | I724 K725 G758 D765 | I724-I761 HydrophobicContact CB-CD1 4.44Å; I724-I761 HydrophobicContact CB-CG1 4.18Å; I724-I761 HydrophobicContact CG2-CD1 3.97Å; I724-I761 HydrophobicContact CG2-CG1 3.62Å; K725-I761 HydrophobicContact CB-CD1 4.01Å; K725-I761 HydrophobicContact CG-CD1 4.45Å; G758-I761 PolarHBondContact O-N 3.11Å; I761-D765 HydrophobicContact CB-CB 4.17Å; I761-D765 HydrophobicContact CG2-CB 4.24Å; I761-D765 WeakPolarHBondContact CG2-OD2 3.27Å |
| 762 | N | 77.4 | Confident | 83.8 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | trans | -160.8 | 157.3 | -178.2 | -73.3 | -42.6 | 0 | 0 | 0 | 109.7 | G758 E764 D765 G766 | G758-N762 PolarHBondContact O-N 3.28Å; G758-N762 VanDerWaalsContact O-O 3.14Å; N762-E764 PolarHBondContact O-N 3.04Å; N762-D765 HydrophobicContact CB-CB 4.49Å; N762-D765 PolarHBondContact O-N 3.14Å; N762-D765 VanDerWaalsContact O-N 3.15Å; N762-G766 PolarHBondContact O-N 3.49Å; N762-G766 VanDerWaalsContact O-N 3.16Å | ||
| 763 | E | 73.8 | Confident | 83.7 | Confident | 170 Ų | 170 | 50.6 Ų | 50.6 | 79% | 0.794 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.1 | -35 | 177.5 | -67.4 | -173.2 | 173.5 | 0 | 0 | 112.8 | F767 | E763-F767 WeakPolarHBondContact O-CB 3.23Å; E763-F767 PolarHBondContact O-N 2.69Å; E763-F767 VanDerWaalsContact O-N 3.11Å |
| 764 | E | 73.3 | Confident | 83.6 | Confident | 161 Ų | 161 | 46.7 Ų | 46.7 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.9 | -64 | -175.6 | 171 | 0 | 0 | 112.4 | N762 F767 | N762-E764 PolarHBondContact O-N 3.04Å; E764-F767 VanDerWaalsContact O-CB 3.29Å; E764-F767 WeakPolarHBondContact O-CB 2.83Å; E764-F767 PolarHBondContact O-N 3.17Å |
| 765 | D | 71.6 | Confident | 83.5 | Confident | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.1 | -29.8 | -177.3 | -78.6 | -46.2 | 0 | 0 | 0 | 112.3 | R728 I761 N762 | R728-D765 WeakPolarHBondContact CD-O 3.45Å; R728-D765 IonicContact CZ-OD1 2.73Å; R728-D765 VanDerWaalsContact NH1-CA 3.35Å; R728-D765 PolarHBondContact NH1-O 2.98Å; R728-D765 IonicContact NH1-OD1 3.2Å; R728-D765 PolarHBondContact NH1-OD1 3.02Å; R728-D765 IonicContact NH2-OD1 3.93Å; I761-D765 HydrophobicContact CB-CB 4.17Å; I761-D765 HydrophobicContact CG2-CB 4.24Å; I761-D765 WeakPolarHBondContact CG2-OD2 3.27Å; N762-D765 HydrophobicContact CB-CB 4.49Å; N762-D765 PolarHBondContact O-N 3.14Å; N762-D765 VanDerWaalsContact O-N 3.15Å |
| 766 | G | 78.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81 | -17 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N762 S770 | N762-G766 PolarHBondContact O-N 3.49Å; N762-G766 VanDerWaalsContact O-N 3.16Å; G766-S770 WeakPolarHBondContact O-CB 3.34Å; G766-S770 PolarHBondContact O-N 3.01Å; G766-S770 PolarHBondContact O-OG 3.18Å |
| 767 | F | 83.4 | Confident | 83.4 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -52.6 | -176.4 | -176.7 | -90.3 | 0 | 0 | 0 | 112.2 | I335 E763 E764 A769 S770 V771 L793 L797 Q805 I809 | I335-F767 HydrophobicContact CD1-CD1 4.19Å; I335-F767 HydrophobicContact CG2-CE1 4.03Å; E763-F767 WeakPolarHBondContact O-CB 3.23Å; E763-F767 PolarHBondContact O-N 2.69Å; E763-F767 VanDerWaalsContact O-N 3.11Å; E764-F767 VanDerWaalsContact O-CB 3.29Å; E764-F767 WeakPolarHBondContact O-CB 2.83Å; E764-F767 PolarHBondContact O-N 3.17Å; F767-A769 VanDerWaalsContact C-N 3.34Å; F767-A769 PolarHBondContact O-N 3.44Å; F767-S770 WeakPolarHBondContact O-CB 3.44Å; F767-S770 PolarHBondContact O-N 3.08Å; F767-V771 HydrophobicContact CD1-CG2 3.96Å; F767-V771 HydrophobicContact CE1-CG2 3.51Å; F767-V771 HydrophobicContact CZ-CG2 3.81Å; F767-V771 WeakPolarHBondContact O-CG2 3.44Å; F767-V771 PolarHBondContact O-N 3.15Å; F767-L793 HydrophobicContact CD2-CD2 4.13Å; F767-L793 HydrophobicContact CE2-CB 4.36Å; F767-L797 HydrophobicContact CD2-CD2 4.42Å; F767-L797 HydrophobicContact CE2-CD1 3.69Å; F767-L797 HydrophobicContact CE2-CD2 3.85Å; F767-L797 HydrophobicContact CE2-CG 3.9Å; F767-L797 HydrophobicContact CZ-CD1 3.78Å; F767-L797 HydrophobicContact CZ-CD2 4.41Å; F767-L797 HydrophobicContact CZ-CG 4.46Å; F767-Q805 HydrophobicContact CD1-CG 4.39Å; F767-Q805 HydrophobicContact CE1-CB 3.83Å; F767-Q805 HydrophobicContact CE1-CG 3.69Å; F767-Q805 HydrophobicContact CZ-CB 3.65Å; F767-Q805 HydrophobicContact CZ-CG 4.02Å; F767-I809 HydrophobicContact CE2-CD1 3.56Å; F767-I809 HydrophobicContact CZ-CD1 3.55Å; F767-I809 HydrophobicContact CZ-CG1 4.06Å |
| 768 | E | 80.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | -178.3 | -174.2 | -178.8 | 177 | 0 | 0 | 111.8 | S333 I335 V338 S770 V771 L772 | S333-E768 VanDerWaalsContact CB-OE1 3.3Å; S333-E768 WeakPolarHBondContact CB-OE1 3.36Å; S333-E768 PolarHBondContact OG-OE1 3.43Å; I335-E768 HydrophobicContact CG1-CB 4.36Å; I335-E768 HydrophobicContact CG1-CG 4.25Å; V338-E768 HydrophobicContact CG2-CG 4.14Å; E768-S770 VanDerWaalsContact C-N 3.27Å; E768-S770 PolarHBondContact O-N 2.86Å; E768-V771 PolarHBondContact O-N 3.23Å; E768-L772 PolarHBondContact O-N 2.81Å |
| 769 | A | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L732 A754 V755 F767 L772 L773 | L732-A769 HydrophobicContact CD2-CB 3.83Å; A754-A769 HydrophobicContact CB-CB 3.82Å; V755-A769 HydrophobicContact CB-CB 4.49Å; V755-A769 HydrophobicContact CG2-CB 3.71Å; V755-A769 WeakPolarHBondContact CG2-O 3.39Å; F767-A769 VanDerWaalsContact C-N 3.34Å; F767-A769 PolarHBondContact O-N 3.44Å; A769-L772 PolarHBondContact O-N 3.43Å; A769-L773 WeakPolarHBondContact O-CB 3.41Å; A769-L773 PolarHBondContact O-N 3.41Å |
| 770 | S | 89.3 | Confident | 83.3 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.1 | -36 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 112 | G766 F767 E768 L773 G774 L793 | G766-S770 WeakPolarHBondContact O-CB 3.34Å; G766-S770 PolarHBondContact O-N 3.01Å; G766-S770 PolarHBondContact O-OG 3.18Å; F767-S770 WeakPolarHBondContact O-CB 3.44Å; F767-S770 PolarHBondContact O-N 3.08Å; E768-S770 VanDerWaalsContact C-N 3.27Å; E768-S770 PolarHBondContact O-N 2.86Å; S770-L773 PolarHBondContact O-N 3.01Å; S770-G774 PolarHBondContact O-N 3.49Å; S770-L793 VanDerWaalsContact CB-CD1 3.5Å |
| 771 | V | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | V338 F767 E768 L773 G774 W775 V808 I809 L812 | V338-V771 HydrophobicContact CB-CG1 4.11Å; V338-V771 HydrophobicContact CG1-CB 4.29Å; V338-V771 HydrophobicContact CG1-CG1 3.67Å; F767-V771 HydrophobicContact CD1-CG2 3.96Å; F767-V771 HydrophobicContact CE1-CG2 3.51Å; F767-V771 HydrophobicContact CZ-CG2 3.81Å; F767-V771 WeakPolarHBondContact O-CG2 3.44Å; F767-V771 PolarHBondContact O-N 3.15Å; E768-V771 PolarHBondContact O-N 3.23Å; V771-L773 PolarHBondContact O-N 3.35Å; V771-G774 PolarHBondContact O-N 3.5Å; V771-W775 PolarHBondContact O-N 3.44Å; V771-V808 HydrophobicContact CG1-CG1 3.72Å; V771-I809 HydrophobicContact CG2-CG1 4.48Å; V771-L812 HydrophobicContact CG1-CD1 3.62Å |
| 772 | L | 87.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.3 | -179.5 | 62.6 | 0 | 0 | 0 | 111.5 | V338 L732 A735 L736 E768 A769 W775 L776 | V338-L772 HydrophobicContact CG1-CB 3.91Å; V338-L772 HydrophobicContact CG1-CD1 4.21Å; L732-L772 HydrophobicContact CD2-CD2 3.77Å; A735-L772 HydrophobicContact CB-CD2 3.93Å; L736-L772 HydrophobicContact CD2-CD1 3.93Å; L736-L772 HydrophobicContact CD2-CD2 4.16Å; L736-L772 HydrophobicContact CG-CD2 4.25Å; E768-L772 PolarHBondContact O-N 2.81Å; A769-L772 PolarHBondContact O-N 3.43Å; L772-W775 WeakPolarHBondContact O-CB 3.28Å; L772-W775 PolarHBondContact O-N 3.14Å; L772-L776 HydrophobicContact CD1-CD1 4.42Å; L772-L776 HydrophobicContact CD1-CG 4.4Å; L772-L776 HydrophobicContact CG-CD1 4.1Å; L772-L776 VanDerWaalsContact O-CG 3.31Å; L772-L776 WeakPolarHBondContact O-CG 3.43Å; L772-L776 PolarHBondContact O-N 2.62Å |
| 773 | L | 90.9 | Very high | 84 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.3 | 177.3 | 57.3 | 0 | 0 | 0 | 111.6 | V748 A751 Q752 V755 A769 S770 V771 W775 L776 L777 I789 | V748-L773 HydrophobicContact CG1-CD1 3.97Å; A751-L773 HydrophobicContact CB-CB 4.06Å; A751-L773 HydrophobicContact CB-CD1 4.12Å; Q752-L773 HydrophobicContact CG-CD1 3.69Å; Q752-L773 HydrophobicContact CG-CD2 3.73Å; Q752-L773 HydrophobicContact CG-CG 4.39Å; V755-L773 HydrophobicContact CG2-CB 4.21Å; V755-L773 HydrophobicContact CG2-CD2 3.92Å; A769-L773 WeakPolarHBondContact O-CB 3.41Å; A769-L773 PolarHBondContact O-N 3.41Å; S770-L773 PolarHBondContact O-N 3.01Å; V771-L773 PolarHBondContact O-N 3.35Å; L773-W775 VanDerWaalsContact C-N 3.3Å; L773-W775 PolarHBondContact O-N 2.94Å; L773-L776 PolarHBondContact O-N 3.24Å; L773-L777 HydrophobicContact CD1-CD1 4.06Å; L773-L777 HydrophobicContact CD1-CG 4.06Å; L773-L777 HydrophobicContact CG-CD1 4.02Å; L773-L777 HydrophobicContact CG-CG 4.47Å; L773-L777 WeakPolarHBondContact O-CB 3.41Å; L773-L777 VanDerWaalsContact O-CG 3.28Å; L773-L777 WeakPolarHBondContact O-CG 3.44Å; L773-L777 PolarHBondContact O-N 2.88Å; L773-I789 HydrophobicContact CD2-CD1 3.62Å; L773-I789 HydrophobicContact CG-CD1 3.97Å |
| 774 | G | 89.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.7 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S770 V771 L777 V778 | S770-G774 PolarHBondContact O-N 3.49Å; V771-G774 PolarHBondContact O-N 3.5Å; G774-L777 PolarHBondContact O-N 2.9Å; G774-V778 WeakPolarHBondContact O-CG2 3.22Å; G774-V778 PolarHBondContact O-N 3.03Å |
| 775 | W | 87.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 175.5 | 172.7 | -124.6 | 0 | 0 | 0 | 113.3 | R340 V771 L772 L773 L777 V778 L779 L812 L815 | R340-W775 HydrophobicContact CB-CZ2 4.14Å; R340-W775 WeakPolarHBondContact O-CH2 3.36Å; V771-W775 PolarHBondContact O-N 3.44Å; L772-W775 WeakPolarHBondContact O-CB 3.28Å; L772-W775 PolarHBondContact O-N 3.14Å; L773-W775 VanDerWaalsContact C-N 3.3Å; L773-W775 PolarHBondContact O-N 2.94Å; W775-L777 VanDerWaalsContact C-N 3.31Å; W775-L777 PolarHBondContact O-N 3.28Å; W775-V778 HydrophobicContact CE3-CB 4.42Å; W775-V778 HydrophobicContact CE3-CG1 4.48Å; W775-V778 HydrophobicContact CZ3-CG1 4.36Å; W775-V778 WeakPolarHBondContact O-CB 3.43Å; W775-V778 PolarHBondContact O-N 3.01Å; W775-L779 HydrophobicContact CD2-CD1 4.12Å; W775-L779 HydrophobicContact CD2-CG 4.14Å; W775-L779 HydrophobicContact CE3-CG 4.43Å; W775-L779 HydrophobicContact CG-CD1 4.43Å; W775-L779 HydrophobicContact CH2-CD2 3.82Å; W775-L779 HydrophobicContact CH2-CG 4.18Å; W775-L779 HydrophobicContact CZ2-CD1 3.81Å; W775-L779 HydrophobicContact CZ2-CD2 3.7Å; W775-L779 HydrophobicContact CZ2-CG 3.86Å; W775-L779 HydrophobicContact CZ3-CD2 4.4Å; W775-L779 HydrophobicContact CZ3-CG 4.44Å; W775-L779 WeakPolarHBondContact O-CG 3.33Å; W775-L779 PolarHBondContact O-N 3.38Å; W775-L812 HydrophobicContact CB-CD2 4.04Å; W775-L812 HydrophobicContact CD2-CD2 4.4Å; W775-L812 HydrophobicContact CE3-CD2 3.74Å; W775-L815 HydrophobicContact CE3-CD1 4.31Å; W775-L815 HydrophobicContact CZ3-CD1 3.7Å |
| 776 | L | 87.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 178.2 | -69.8 | 171.2 | 0 | 0 | 0 | 112.4 | A735 Q739 L744 A747 V748 A751 L772 L773 L779 T780 | A735-L776 HydrophobicContact CB-CD1 4.36Å; Q739-L776 HydrophobicContact CB-CD2 4.03Å; Q739-L776 HydrophobicContact CG-CD2 4.01Å; L744-L776 HydrophobicContact CD2-CD2 4.39Å; A747-L776 HydrophobicContact CB-CD1 3.92Å; A747-L776 HydrophobicContact CB-CD2 3.96Å; V748-L776 HydrophobicContact CG2-CB 3.77Å; A751-L776 HydrophobicContact CB-CD1 3.71Å; L772-L776 HydrophobicContact CD1-CD1 4.42Å; L772-L776 HydrophobicContact CD1-CG 4.4Å; L772-L776 HydrophobicContact CG-CD1 4.1Å; L772-L776 VanDerWaalsContact O-CG 3.31Å; L772-L776 WeakPolarHBondContact O-CG 3.43Å; L772-L776 PolarHBondContact O-N 2.62Å; L773-L776 PolarHBondContact O-N 3.24Å; L776-L779 HydrophobicContact CD2-CD1 4.39Å; L776-L779 PolarHBondContact O-N 3.32Å; L776-T780 WeakPolarHBondContact O-CG2 3.36Å; L776-T780 PolarHBondContact O-N 3Å; L776-T780 VanDerWaalsContact O-N 3.09Å; L776-T780 PolarHBondContact O-OG1 2.85Å |
| 777 | L | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 174.6 | -70.7 | 171.1 | 0 | 0 | 0 | 112.2 | V748 L773 G774 W775 T780 G781 Q782 R785 A786 I789 | V748-L777 HydrophobicContact CG1-CD2 3.98Å; V748-L777 HydrophobicContact CG2-CD2 4.43Å; L773-L777 HydrophobicContact CD1-CD1 4.06Å; L773-L777 HydrophobicContact CD1-CG 4.06Å; L773-L777 HydrophobicContact CG-CD1 4.02Å; L773-L777 HydrophobicContact CG-CG 4.47Å; L773-L777 WeakPolarHBondContact O-CB 3.41Å; L773-L777 VanDerWaalsContact O-CG 3.28Å; L773-L777 WeakPolarHBondContact O-CG 3.44Å; L773-L777 PolarHBondContact O-N 2.88Å; G774-L777 PolarHBondContact O-N 2.9Å; W775-L777 VanDerWaalsContact C-N 3.31Å; W775-L777 PolarHBondContact O-N 3.28Å; L777-T780 WeakPolarHBondContact CA-OG1 3.43Å; L777-T780 PolarHBondContact O-N 3.41Å; L777-T780 PolarHBondContact O-OG1 3.38Å; L777-G781 PolarHBondContact O-N 2.85Å; L777-Q782 HydrophobicContact CB-CB 4.47Å; L777-Q782 HydrophobicContact CD2-CB 4.05Å; L777-Q782 PolarHBondContact O-N 3.16Å; L777-R785 HydrophobicContact CD1-CB 4.11Å; L777-R785 HydrophobicContact CD2-CB 4.44Å; L777-A786 HydrophobicContact CB-CB 3.69Å; L777-A786 HydrophobicContact CD1-CB 4.48Å; L777-I789 HydrophobicContact CD1-CD1 3.57Å |
| 778 | V | 85.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | G774 W775 T780 G781 A786 L815 C816 | G774-V778 WeakPolarHBondContact O-CG2 3.22Å; G774-V778 PolarHBondContact O-N 3.03Å; W775-V778 HydrophobicContact CE3-CB 4.42Å; W775-V778 HydrophobicContact CE3-CG1 4.48Å; W775-V778 HydrophobicContact CZ3-CG1 4.36Å; W775-V778 WeakPolarHBondContact O-CB 3.43Å; W775-V778 PolarHBondContact O-N 3.01Å; V778-T780 PolarHBondContact O-N 2.85Å; V778-G781 PolarHBondContact O-N 2.93Å; V778-A786 HydrophobicContact CG2-CB 4.01Å; V778-L815 HydrophobicContact CG1-CB 4.1Å; V778-C816 WeakPolarHBondContact CG2-SG 3.46Å |
| 779 | L | 81.9 | Confident | 88 | Confident | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -23.3 | -178.6 | -73.6 | 174.4 | 0 | 0 | 0 | 114.9 | R343 R353 L744 W775 L776 | R343-L779 PolarHBondContact NH2-O 2.84Å; R353-L779 VanDerWaalsContact NH2-CD1 3.28Å; L744-L779 HydrophobicContact CD1-CB 4.17Å; L744-L779 HydrophobicContact CD2-CD1 4.47Å; W775-L779 HydrophobicContact CD2-CD1 4.12Å; W775-L779 HydrophobicContact CD2-CG 4.14Å; W775-L779 HydrophobicContact CE3-CG 4.43Å; W775-L779 HydrophobicContact CG-CD1 4.43Å; W775-L779 HydrophobicContact CH2-CD2 3.82Å; W775-L779 HydrophobicContact CH2-CG 4.18Å; W775-L779 HydrophobicContact CZ2-CD1 3.81Å; W775-L779 HydrophobicContact CZ2-CD2 3.7Å; W775-L779 HydrophobicContact CZ2-CG 3.86Å; W775-L779 HydrophobicContact CZ3-CD2 4.4Å; W775-L779 HydrophobicContact CZ3-CG 4.44Å; W775-L779 WeakPolarHBondContact O-CG 3.33Å; W775-L779 PolarHBondContact O-N 3.38Å; L776-L779 HydrophobicContact CD2-CD1 4.39Å; L776-L779 PolarHBondContact O-N 3.32Å |
| 780 | T | 84.1 | Confident | 88.2 | Confident | 40 Ų | 40 | 30 Ų | 30 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.4 | 177.1 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | L744 V748 L776 L777 V778 Q782 | L744-T780 HydrophobicContact CB-CG2 3.48Å; L744-T780 VanDerWaalsContact CB-CG2 3.48Å; L744-T780 HydrophobicContact CD1-CG2 4.05Å; L744-T780 HydrophobicContact CG-CG2 4.38Å; V748-T780 HydrophobicContact CG2-CG2 4.17Å; L776-T780 WeakPolarHBondContact O-CG2 3.36Å; L776-T780 PolarHBondContact O-N 3Å; L776-T780 VanDerWaalsContact O-N 3.09Å; L776-T780 PolarHBondContact O-OG1 2.85Å; L777-T780 WeakPolarHBondContact CA-OG1 3.43Å; L777-T780 PolarHBondContact O-N 3.41Å; L777-T780 PolarHBondContact O-OG1 3.38Å; V778-T780 PolarHBondContact O-N 2.85Å; T780-Q782 VanDerWaalsContact C-N 3.32Å |
| 781 | G | 82.6 | Confident | 88.3 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 61% | 0.608 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 9.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L777 V778 A783 | L777-G781 PolarHBondContact O-N 2.85Å; V778-G781 PolarHBondContact O-N 2.93Å; G781-A783 VanDerWaalsContact C-N 3.26Å; G781-A783 PolarHBondContact O-N 2.71Å; G781-A783 VanDerWaalsContact O-N 3.15Å |
| 782 | Q | 87.4 | Confident | 88.3 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | trans | -88.9 | 54.4 | 178.3 | -62 | -174.2 | 24.8 | 0 | 0 | 111.6 | L777 T780 E784 R785 A786 | L777-Q782 HydrophobicContact CB-CB 4.47Å; L777-Q782 HydrophobicContact CD2-CB 4.05Å; L777-Q782 PolarHBondContact O-N 3.16Å; T780-Q782 VanDerWaalsContact C-N 3.32Å; Q782-E784 VanDerWaalsContact C-N 3.27Å; Q782-E784 PolarHBondContact O-N 3.02Å; Q782-R785 HydrophobicContact CB-CB 4.47Å; Q782-R785 PolarHBondContact O-N 3.43Å; Q782-R785 VanDerWaalsContact O-N 3.17Å; Q782-R785 VanDerWaalsContact OE1-CD 3.22Å; Q782-A786 PolarHBondContact O-N 2.99Å; Q782-A786 VanDerWaalsContact O-N 3.11Å | ||
| 783 | A | 86.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -32 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G781 Q787 C816 H819 R820 | G781-A783 VanDerWaalsContact C-N 3.26Å; G781-A783 PolarHBondContact O-N 2.71Å; G781-A783 VanDerWaalsContact O-N 3.15Å; A783-Q787 WeakPolarHBondContact O-CB 3.43Å; A783-Q787 PolarHBondContact O-N 3.42Å; A783-C816 HydrophobicContact CB-CB 4.49Å; A783-H819 HydrophobicContact CB-CB 4.19Å; A783-R820 HydrophobicContact CB-CG 3.92Å |
| 784 | E | 88.8 | Confident | 88.2 | Confident | 130 Ų | 130 | 38.8 Ų | 38.8 | 61% | 0.607 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -68.7 | -41.3 | 178.5 | -58.9 | -161 | 144.2 | 0 | 0 | 112.5 | Q782 Q787 S788 R820 | Q782-E784 VanDerWaalsContact C-N 3.27Å; Q782-E784 PolarHBondContact O-N 3.02Å; E784-Q787 PolarHBondContact O-N 3.22Å; E784-S788 PolarHBondContact O-N 3.13Å; E784-R820 IonicContact OE1-CZ 3.78Å; E784-R820 IonicContact OE1-NE 2.59Å; E784-R820 IonicContact OE1-NH2 2.7Å; E784-R820 PolarHBondContact OE1-NH2 2.93Å |
| 785 | R | 91.3 | Very high | 88 | Confident | 143 Ų | 143 | 42.9 Ų | 42.9 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 176.5 | -61.9 | -175.8 | 103.3 | -173.7 | 4.3 | 110.5 | L777 Q782 Q787 S788 I789 | L777-R785 HydrophobicContact CD1-CB 4.11Å; L777-R785 HydrophobicContact CD2-CB 4.44Å; Q782-R785 HydrophobicContact CB-CB 4.47Å; Q782-R785 PolarHBondContact O-N 3.43Å; Q782-R785 VanDerWaalsContact O-N 3.17Å; Q782-R785 VanDerWaalsContact OE1-CD 3.22Å; R785-Q787 VanDerWaalsContact C-N 3.33Å; R785-Q787 PolarHBondContact O-N 3.26Å; R785-S788 PolarHBondContact O-N 3Å; R785-S788 PolarHBondContact O-OG 3.06Å; R785-I789 WeakPolarHBondContact O-CG1 3.4Å; R785-I789 PolarHBondContact O-N 3.1Å |
| 786 | A | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L777 V778 Q782 S788 I789 L790 C816 | L777-A786 HydrophobicContact CB-CB 3.69Å; L777-A786 HydrophobicContact CD1-CB 4.48Å; V778-A786 HydrophobicContact CG2-CB 4.01Å; Q782-A786 PolarHBondContact O-N 2.99Å; Q782-A786 VanDerWaalsContact O-N 3.11Å; A786-S788 PolarHBondContact O-N 3.24Å; A786-I789 PolarHBondContact O-N 2.85Å; A786-L790 WeakPolarHBondContact O-CB 3.45Å; A786-L790 VanDerWaalsContact O-CG 3.28Å; A786-L790 WeakPolarHBondContact O-CG 3.3Å; A786-L790 PolarHBondContact O-N 3.46Å; A786-C816 WeakPolarHBondContact CB-SG 3.46Å |
| 787 | Q | 91.8 | Very high | 87.6 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.4 | -176.5 | 170.8 | -5.1 | 0 | 0 | 112.3 | A783 E784 R785 I789 L790 E791 L813 | A783-Q787 WeakPolarHBondContact O-CB 3.43Å; A783-Q787 PolarHBondContact O-N 3.42Å; E784-Q787 PolarHBondContact O-N 3.22Å; R785-Q787 VanDerWaalsContact C-N 3.33Å; R785-Q787 PolarHBondContact O-N 3.26Å; Q787-I789 PolarHBondContact O-N 3.17Å; Q787-L790 PolarHBondContact O-N 2.81Å; Q787-E791 HydrophobicContact CG-CG 3.98Å; Q787-E791 VanDerWaalsContact CG-OE1 3.31Å; Q787-E791 WeakPolarHBondContact CG-OE1 3.44Å; Q787-E791 PolarHBondContact NE2-OE1 3.41Å; Q787-E791 WeakPolarHBondContact O-CG 3.23Å; Q787-E791 PolarHBondContact O-N 3.2Å; Q787-L813 HydrophobicContact CG-CD2 4.22Å |
| 788 | S | 91.6 | Very high | 87 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -24.4 | 178.9 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | E784 R785 A786 P792 | E784-S788 PolarHBondContact O-N 3.13Å; R785-S788 PolarHBondContact O-N 3Å; R785-S788 PolarHBondContact O-OG 3.06Å; A786-S788 PolarHBondContact O-N 3.24Å; S788-P792 WeakPolarHBondContact O-CD 3.42Å; S788-P792 WeakPolarHBondContact O-CG 3.12Å |
| 789 | I | 90.1 | Very high | 86.4 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -89 | -39.1 | 177.4 | -64.5 | 174.7 | 0 | 0 | 0 | 110.7 | L773 L777 R785 A786 Q787 P792 L793 | L773-I789 HydrophobicContact CD2-CD1 3.62Å; L773-I789 HydrophobicContact CG-CD1 3.97Å; L777-I789 HydrophobicContact CD1-CD1 3.57Å; R785-I789 WeakPolarHBondContact O-CG1 3.4Å; R785-I789 PolarHBondContact O-N 3.1Å; A786-I789 PolarHBondContact O-N 2.85Å; Q787-I789 PolarHBondContact O-N 3.17Å; I789-P792 WeakPolarHBondContact O-CD 3.38Å; I789-L793 HydrophobicContact CG2-CD1 4.39Å; I789-L793 WeakPolarHBondContact O-CD1 3.33Å; I789-L793 WeakPolarHBondContact O-CG 3.37Å |
| 790 | L | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.8 | -32.9 | -174.4 | -69.2 | 169.1 | 0 | 0 | 0 | 113.9 | A786 Q787 L793 L794 I809 L812 L813 | A786-L790 WeakPolarHBondContact O-CB 3.45Å; A786-L790 VanDerWaalsContact O-CG 3.28Å; A786-L790 WeakPolarHBondContact O-CG 3.3Å; A786-L790 PolarHBondContact O-N 3.46Å; Q787-L790 PolarHBondContact O-N 2.81Å; L790-L793 HydrophobicContact CD2-CD1 4.45Å; L790-L793 PolarHBondContact O-N 3.28Å; L790-L794 PolarHBondContact O-N 3.12Å; L790-I809 HydrophobicContact CB-CG2 4.31Å; L790-I809 HydrophobicContact CD2-CG2 4.47Å; L790-L812 HydrophobicContact CD1-CB 3.68Å; L790-L812 HydrophobicContact CD2-CB 4.25Å; L790-L812 HydrophobicContact CD2-CD1 4.05Å; L790-L813 HydrophobicContact CB-CD2 3.49Å; L790-L813 VanDerWaalsContact CB-CD2 3.49Å; L790-L813 HydrophobicContact CB-CG 3.84Å; L790-L813 HydrophobicContact CD1-CD2 4.25Å; L790-L813 HydrophobicContact CD1-CG 4.42Å |
| 791 | E | 90.9 | Very high | 85.7 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 179.6 | -75.9 | 178.9 | 170.6 | 0 | 0 | 113.2 | Q787 L793 L794 T795 L813 | Q787-E791 HydrophobicContact CG-CG 3.98Å; Q787-E791 VanDerWaalsContact CG-OE1 3.31Å; Q787-E791 WeakPolarHBondContact CG-OE1 3.44Å; Q787-E791 PolarHBondContact NE2-OE1 3.41Å; Q787-E791 WeakPolarHBondContact O-CG 3.23Å; Q787-E791 PolarHBondContact O-N 3.2Å; E791-L793 VanDerWaalsContact C-N 3.3Å; E791-L793 PolarHBondContact O-N 3.41Å; E791-L794 WeakPolarHBondContact O-CB 3.29Å; E791-L794 PolarHBondContact O-N 3.03Å; E791-L794 VanDerWaalsContact O-N 3.17Å; E791-T795 PolarHBondContact O-N 3.25Å; E791-T795 VanDerWaalsContact O-N 3.12Å; E791-L813 HydrophobicContact CG-CD2 3.96Å |
| 792 | P | 89.2 | Confident | 85.6 | Confident | 70 Ų | 70 | 64 Ų | 64 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 175.1 | -24.7 | 34.5 | 0 | 0 | 0 | 112.8 | S788 I789 L794 T795 S796 | S788-P792 WeakPolarHBondContact O-CD 3.42Å; S788-P792 WeakPolarHBondContact O-CG 3.12Å; I789-P792 WeakPolarHBondContact O-CD 3.38Å; P792-L794 VanDerWaalsContact C-N 3.31Å; P792-L794 PolarHBondContact O-N 3.18Å; P792-T795 WeakPolarHBondContact CA-OG1 3.32Å; P792-T795 PolarHBondContact O-N 3.43Å; P792-T795 VanDerWaalsContact O-N 3.12Å; P792-T795 PolarHBondContact O-OG1 2.93Å; P792-S796 PolarHBondContact O-N 3.43Å |
| 793 | L | 87.1 | Confident | 85.4 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 177 | -63.7 | 170 | 0 | 0 | 0 | 111.5 | F767 S770 I789 L790 E791 T795 S796 L797 I809 | F767-L793 HydrophobicContact CD2-CD2 4.13Å; F767-L793 HydrophobicContact CE2-CB 4.36Å; S770-L793 VanDerWaalsContact CB-CD1 3.5Å; I789-L793 HydrophobicContact CG2-CD1 4.39Å; I789-L793 WeakPolarHBondContact O-CD1 3.33Å; I789-L793 WeakPolarHBondContact O-CG 3.37Å; L790-L793 HydrophobicContact CD2-CD1 4.45Å; L790-L793 PolarHBondContact O-N 3.28Å; E791-L793 VanDerWaalsContact C-N 3.3Å; E791-L793 PolarHBondContact O-N 3.41Å; L793-T795 VanDerWaalsContact C-N 3.28Å; L793-T795 PolarHBondContact O-N 3.14Å; L793-S796 PolarHBondContact O-N 3.25Å; L793-S796 PolarHBondContact O-OG 3.26Å; L793-L797 VanDerWaalsContact O-CG 3.3Å; L793-L797 WeakPolarHBondContact O-CG 3.46Å; L793-L797 PolarHBondContact O-N 3.38Å; L793-I809 HydrophobicContact CB-CD1 3.5Å; L793-I809 VanDerWaalsContact CB-CD1 3.5Å |
| 794 | L | 87.9 | Confident | 85.2 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.1 | -172.2 | 61.1 | 0 | 0 | 0 | 111.5 | L790 E791 P792 L797 Q798 I809 L813 | L790-L794 PolarHBondContact O-N 3.12Å; E791-L794 WeakPolarHBondContact O-CB 3.29Å; E791-L794 PolarHBondContact O-N 3.03Å; E791-L794 VanDerWaalsContact O-N 3.17Å; P792-L794 VanDerWaalsContact C-N 3.31Å; P792-L794 PolarHBondContact O-N 3.18Å; L794-L797 PolarHBondContact O-N 2.9Å; L794-Q798 PolarHBondContact O-N 2.93Å; L794-I809 HydrophobicContact CB-CG2 3.86Å; L794-I809 HydrophobicContact CD1-CB 4.4Å; L794-I809 HydrophobicContact CD1-CG2 4.17Å; L794-I809 HydrophobicContact CG-CG2 4.48Å; L794-L813 HydrophobicContact CB-CD1 4.4Å; L794-L813 HydrophobicContact CD2-CD1 3.81Å |
| 795 | T | 86.6 | Confident | 85 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 179.4 | 59.3 | 0 | 0 | 0 | 0 | 113 | E791 P792 L793 L797 Q798 | E791-T795 PolarHBondContact O-N 3.25Å; E791-T795 VanDerWaalsContact O-N 3.12Å; P792-T795 WeakPolarHBondContact CA-OG1 3.32Å; P792-T795 PolarHBondContact O-N 3.43Å; P792-T795 VanDerWaalsContact O-N 3.12Å; P792-T795 PolarHBondContact O-OG1 2.93Å; L793-T795 VanDerWaalsContact C-N 3.28Å; L793-T795 PolarHBondContact O-N 3.14Å; T795-L797 VanDerWaalsContact C-N 3.29Å; T795-L797 PolarHBondContact O-N 3.05Å; T795-Q798 PolarHBondContact O-N 3.11Å |
| 796 | S | 84.2 | Confident | 84.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | P792 L793 Q798 S799 | P792-S796 PolarHBondContact O-N 3.43Å; L793-S796 PolarHBondContact O-N 3.25Å; L793-S796 PolarHBondContact O-OG 3.26Å; S796-Q798 VanDerWaalsContact C-N 3.26Å; S796-Q798 PolarHBondContact O-N 3.19Å; S796-S799 PolarHBondContact O-N 3.05Å; S796-S799 PolarHBondContact O-OG 2.93Å |
| 797 | L | 82.7 | Confident | 84.7 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71 | -15 | 177.5 | -67.6 | -174.7 | 0 | 0 | 0 | 114.5 | F767 L793 L794 T795 S799 T800 Q805 Q806 I809 | F767-L797 HydrophobicContact CD2-CD2 4.42Å; F767-L797 HydrophobicContact CE2-CD1 3.69Å; F767-L797 HydrophobicContact CE2-CD2 3.85Å; F767-L797 HydrophobicContact CE2-CG 3.9Å; F767-L797 HydrophobicContact CZ-CD1 3.78Å; F767-L797 HydrophobicContact CZ-CD2 4.41Å; F767-L797 HydrophobicContact CZ-CG 4.46Å; L793-L797 VanDerWaalsContact O-CG 3.3Å; L793-L797 WeakPolarHBondContact O-CG 3.46Å; L793-L797 PolarHBondContact O-N 3.38Å; L794-L797 PolarHBondContact O-N 2.9Å; T795-L797 VanDerWaalsContact C-N 3.29Å; T795-L797 PolarHBondContact O-N 3.05Å; L797-S799 PolarHBondContact O-N 3.28Å; L797-T800 WeakPolarHBondContact CA-OG1 3.44Å; L797-T800 WeakPolarHBondContact CD2-OG1 3.46Å; L797-T800 PolarHBondContact O-N 3.5Å; L797-T800 VanDerWaalsContact O-N 3.12Å; L797-T800 PolarHBondContact O-OG1 3.27Å; L797-T800 VanDerWaalsContact O-OG1 3.12Å; L797-Q805 HydrophobicContact CD1-CB 3.7Å; L797-Q805 HydrophobicContact CD2-CB 4.32Å; L797-Q806 HydrophobicContact CB-CG 3.69Å; L797-Q806 HydrophobicContact CD1-CB 4.38Å; L797-Q806 HydrophobicContact CD1-CG 3.79Å; L797-Q806 HydrophobicContact CG-CG 4.41Å; L797-Q806 PolarHBondContact O-NE2 3.4Å; L797-I809 HydrophobicContact CD1-CD1 3.61Å; L797-I809 HydrophobicContact CG-CD1 4.44Å |
| 798 | Q | 77.4 | Confident | 84.4 | Confident | 150 Ų | 150 | 55.5 Ų | 55.5 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.3 | 178.4 | -70.1 | 179 | -1.3 | 0 | 0 | 112.8 | L794 T795 S796 | L794-Q798 PolarHBondContact O-N 2.93Å; T795-Q798 PolarHBondContact O-N 3.11Å; S796-Q798 VanDerWaalsContact C-N 3.26Å; S796-Q798 PolarHBondContact O-N 3.19Å |
| 799 | S | 72.3 | Confident | 84.3 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 77% | 0.769 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5.2 | 175.2 | 40.1 | 0 | 0 | 0 | 0 | 114.5 | S796 L797 | S796-S799 PolarHBondContact O-N 3.05Å; S796-S799 PolarHBondContact O-OG 2.93Å; L797-S799 PolarHBondContact O-N 3.28Å |
| 800 | T | 75.3 | Confident | 84.4 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -111.5 | 149.8 | -176 | 63.3 | 0 | 0 | 0 | 0 | 112 | L797 S802 | L797-T800 WeakPolarHBondContact CA-OG1 3.44Å; L797-T800 WeakPolarHBondContact CD2-OG1 3.46Å; L797-T800 PolarHBondContact O-N 3.5Å; L797-T800 VanDerWaalsContact O-N 3.12Å; L797-T800 PolarHBondContact O-OG1 3.27Å; L797-T800 VanDerWaalsContact O-OG1 3.12Å; T800-S802 VanDerWaalsContact C-N 3.28Å; T800-S802 PolarHBondContact O-N 3.27Å; T800-S802 VanDerWaalsContact O-N 3.15Å; T800-S802 PolarHBondContact OG1-OG 3.39Å; T800-S802 VanDerWaalsContact OG1-OG 3.1Å |
| 801 | D | 74.6 | Confident | 84.3 | Confident | 168 Ų | 168 | 50.8 Ų | 50.8 | 90% | 0.898 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -89.8 | 55.7 | 179.6 | -157.2 | 12.6 | 0 | 0 | 0 | 111.5 | P803 | D801-P803 WeakPolarHBondContact O-CD 3.44Š|
| 802 | S | 82.3 | Confident | 84.2 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | trans | -125.2 | 71.4 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | T800 T804 Q805 Q806 | T800-S802 VanDerWaalsContact C-N 3.28Å; T800-S802 PolarHBondContact O-N 3.27Å; T800-S802 VanDerWaalsContact O-N 3.15Å; T800-S802 PolarHBondContact OG1-OG 3.39Å; T800-S802 VanDerWaalsContact OG1-OG 3.1Å; S802-T804 VanDerWaalsContact C-N 3.27Å; S802-T804 PolarHBondContact O-N 3.11Å; S802-Q805 PolarHBondContact O-N 3.14Å; S802-Q805 PolarHBondContact OG-OE1 3.32Å; S802-Q806 PolarHBondContact O-N 3.27Å | ||
| 803 | P | 83 | Confident | 84.3 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -35 | -175.4 | 24.2 | -34.1 | 0 | 0 | 0 | 112.4 | D801 Q805 Q806 G807 I836 | D801-P803 WeakPolarHBondContact O-CD 3.44Å; P803-Q805 PolarHBondContact O-N 3.49Å; P803-Q806 PolarHBondContact O-N 3.33Å; P803-G807 PolarHBondContact O-N 3.16Å; P803-I836 HydrophobicContact CB-CG2 3.84Å; P803-I836 WeakPolarHBondContact O-CG2 3.43Å |
| 804 | T | 80.9 | Confident | 84.5 | Confident | 58 Ų | 58 | 42 Ų | 42 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.5 | 51 | 0 | 0 | 0 | 0 | 112.6 | S802 G807 V808 | S802-T804 VanDerWaalsContact C-N 3.27Å; S802-T804 PolarHBondContact O-N 3.11Å; T804-G807 PolarHBondContact O-N 2.96Å; T804-V808 WeakPolarHBondContact O-CG2 3.25Å; T804-V808 PolarHBondContact O-N 3.48Å; T804-V808 VanDerWaalsContact O-N 3.14Å |
| 805 | Q | 84.9 | Confident | 84.5 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 177.3 | -70.2 | 177.3 | -17.8 | 0 | 0 | 111.6 | I335 F767 L797 S802 P803 G807 V808 I809 | I335-Q805 HydrophobicContact CD1-CG 4.33Å; I335-Q805 HydrophobicContact CG2-CG 4.24Å; F767-Q805 HydrophobicContact CD1-CG 4.39Å; F767-Q805 HydrophobicContact CE1-CB 3.83Å; F767-Q805 HydrophobicContact CE1-CG 3.69Å; F767-Q805 HydrophobicContact CZ-CB 3.65Å; F767-Q805 HydrophobicContact CZ-CG 4.02Å; L797-Q805 HydrophobicContact CD1-CB 3.7Å; L797-Q805 HydrophobicContact CD2-CB 4.32Å; S802-Q805 PolarHBondContact O-N 3.14Å; S802-Q805 PolarHBondContact OG-OE1 3.32Å; P803-Q805 PolarHBondContact O-N 3.49Å; Q805-G807 PolarHBondContact O-N 3.04Å; Q805-V808 PolarHBondContact O-N 3.48Å; Q805-I809 PolarHBondContact O-N 3.24Å; Q805-I809 VanDerWaalsContact O-N 3.11Å |
| 806 | Q | 86.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 20% | 0.201 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.6 | -68.3 | 176.6 | -4.2 | 0 | 0 | 111.3 | L797 S802 P803 V808 I809 H810 I836 | L797-Q806 HydrophobicContact CB-CG 3.69Å; L797-Q806 HydrophobicContact CD1-CB 4.38Å; L797-Q806 HydrophobicContact CD1-CG 3.79Å; L797-Q806 HydrophobicContact CG-CG 4.41Å; L797-Q806 PolarHBondContact O-NE2 3.4Å; S802-Q806 PolarHBondContact O-N 3.27Å; P803-Q806 PolarHBondContact O-N 3.33Å; Q806-V808 VanDerWaalsContact C-N 3.32Å; Q806-V808 PolarHBondContact O-N 2.95Å; Q806-I809 PolarHBondContact O-N 2.96Å; Q806-H810 PolarHBondContact O-CD2 3.14Å; Q806-H810 VanDerWaalsContact O-CD2 3.25Å; Q806-H810 PolarHBondContact O-N 2.91Å; Q806-I836 HydrophobicContact CB-CD1 4.21Å |
| 807 | G | 87.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | P803 T804 Q805 H810 N811 A833 | P803-G807 PolarHBondContact O-N 3.16Å; T804-G807 PolarHBondContact O-N 2.96Å; Q805-G807 PolarHBondContact O-N 3.04Å; G807-H810 PolarHBondContact O-N 3.11Å; G807-N811 PolarHBondContact O-N 3.2Å; G807-A833 WeakPolarHBondContact O-CB 3.3Å |
| 808 | V | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | I335 Y339 V771 T804 Q805 Q806 N811 L812 | I335-V808 HydrophobicContact CG2-CG2 4.5Å; Y339-V808 HydrophobicContact CD1-CG1 3.67Å; Y339-V808 HydrophobicContact CE1-CB 4.08Å; Y339-V808 HydrophobicContact CE1-CG1 3.7Å; Y339-V808 HydrophobicContact CE1-CG2 3.88Å; V771-V808 HydrophobicContact CG1-CG1 3.72Å; T804-V808 WeakPolarHBondContact O-CG2 3.25Å; T804-V808 PolarHBondContact O-N 3.48Å; T804-V808 VanDerWaalsContact O-N 3.14Å; Q805-V808 PolarHBondContact O-N 3.48Å; Q806-V808 VanDerWaalsContact C-N 3.32Å; Q806-V808 PolarHBondContact O-N 2.95Å; V808-N811 PolarHBondContact O-N 3.23Å; V808-L812 HydrophobicContact CG1-CD1 4.32Å; V808-L812 PolarHBondContact O-N 3.1Å |
| 809 | I | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.6 | -66.3 | 179.2 | 0 | 0 | 0 | 111.4 | F767 V771 L790 L793 L794 L797 Q805 Q806 N811 L812 L813 | F767-I809 HydrophobicContact CE2-CD1 3.56Å; F767-I809 HydrophobicContact CZ-CD1 3.55Å; F767-I809 HydrophobicContact CZ-CG1 4.06Å; V771-I809 HydrophobicContact CG2-CG1 4.48Å; L790-I809 HydrophobicContact CB-CG2 4.31Å; L790-I809 HydrophobicContact CD2-CG2 4.47Å; L793-I809 HydrophobicContact CB-CD1 3.5Å; L793-I809 VanDerWaalsContact CB-CD1 3.5Å; L794-I809 HydrophobicContact CB-CG2 3.86Å; L794-I809 HydrophobicContact CD1-CB 4.4Å; L794-I809 HydrophobicContact CD1-CG2 4.17Å; L794-I809 HydrophobicContact CG-CG2 4.48Å; L797-I809 HydrophobicContact CD1-CD1 3.61Å; L797-I809 HydrophobicContact CG-CD1 4.44Å; Q805-I809 PolarHBondContact O-N 3.24Å; Q805-I809 VanDerWaalsContact O-N 3.11Å; Q806-I809 PolarHBondContact O-N 2.96Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 2.95Å; I809-L812 PolarHBondContact O-N 3.46Å; I809-L813 HydrophobicContact CG2-CD1 3.78Å; I809-L813 HydrophobicContact CG2-CG 4.09Å; I809-L813 WeakPolarHBondContact O-CB 3.4Å; I809-L813 WeakPolarHBondContact O-CG 3.42Å; I809-L813 PolarHBondContact O-N 3.05Å |
| 810 | H | 91.7 | Very high | 85.9 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.4 | -43.1 | 175.2 | -88.2 | -79.3 | 0 | 0 | 0 | 111.2 | Q806 G807 A814 W828 H829 A833 | Q806-H810 PolarHBondContact O-CD2 3.14Å; Q806-H810 VanDerWaalsContact O-CD2 3.25Å; Q806-H810 PolarHBondContact O-N 2.91Å; G807-H810 PolarHBondContact O-N 3.11Å; H810-A814 PolarHBondContact O-N 3.33Å; H810-W828 AromaticContact CE1-CZ3 3.91Å; H810-H829 AromaticContact CE1-ND1 3.8Å; H810-H829 AromaticContact ND1-CE1 3.96Å; H810-H829 AromaticContact ND1-CG 3.96Å; H810-H829 AromaticContact ND1-ND1 3.07Å; H810-H829 PolarHBondContact ND1-ND1 2.89Å; H810-H829 WeakPolarHBondContact O-CB 3.39Å; H810-A833 HydrophobicContact CB-CB 3.84Å |
| 811 | N | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 174.4 | -92.6 | -18.6 | 0 | 0 | 0 | 112.1 | Y339 G807 V808 I809 L813 A814 L815 L830 A833 | Y339-N811 HydrophobicContact CE2-CB 3.77Å; Y339-N811 PolarHBondContact OH-ND2 3.2Å; G807-N811 PolarHBondContact O-N 3.2Å; V808-N811 PolarHBondContact O-N 3.23Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 2.95Å; N811-L813 PolarHBondContact O-N 3.17Å; N811-A814 WeakPolarHBondContact O-CB 3.39Å; N811-A814 PolarHBondContact O-N 3.46Å; N811-A814 VanDerWaalsContact O-N 3.15Å; N811-L815 WeakPolarHBondContact O-CG 3.42Å; N811-L815 PolarHBondContact O-N 2.8Å; N811-L815 VanDerWaalsContact O-N 3.11Å; N811-L830 VanDerWaalsContact OD1-CD2 3.3Å; N811-L830 WeakPolarHBondContact OD1-CD2 3.4Å; N811-A833 HydrophobicContact CB-CB 4.27Å; N811-A833 VanDerWaalsContact CG-CB 3.49Å; N811-A833 WeakPolarHBondContact OD1-CB 3.14Å |
| 812 | L | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | -179.8 | -74.5 | 175.2 | 0 | 0 | 0 | 113.3 | Y339 V771 W775 L790 V808 I809 A814 L815 C816 | Y339-L812 HydrophobicContact CD2-CD2 4.13Å; Y339-L812 HydrophobicContact CD2-CG 4.47Å; Y339-L812 HydrophobicContact CG-CD2 3.98Å; Y339-L812 HydrophobicContact CG-CG 4.23Å; V771-L812 HydrophobicContact CG1-CD1 3.62Å; W775-L812 HydrophobicContact CB-CD2 4.04Å; W775-L812 HydrophobicContact CD2-CD2 4.4Å; W775-L812 HydrophobicContact CE3-CD2 3.74Å; L790-L812 HydrophobicContact CD1-CB 3.68Å; L790-L812 HydrophobicContact CD2-CB 4.25Å; L790-L812 HydrophobicContact CD2-CD1 4.05Å; V808-L812 HydrophobicContact CG1-CD1 4.32Å; V808-L812 PolarHBondContact O-N 3.1Å; I809-L812 PolarHBondContact O-N 3.46Å; L812-A814 VanDerWaalsContact C-N 3.28Å; L812-A814 PolarHBondContact O-N 2.8Å; L812-L815 HydrophobicContact CD2-CD1 4.39Å; L812-L815 WeakPolarHBondContact O-CB 3.37Å; L812-L815 PolarHBondContact O-N 2.96Å; L812-C816 PolarHBondContact O-N 3.46Å; L812-C816 PolarHBondContact O-SG 3.44Å |
| 813 | L | 91.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 174 | -79.1 | 173.4 | 0 | 0 | 0 | 111.3 | Q787 L790 E791 L794 I809 N811 L815 C816 L817 | Q787-L813 HydrophobicContact CG-CD2 4.22Å; L790-L813 HydrophobicContact CB-CD2 3.49Å; L790-L813 VanDerWaalsContact CB-CD2 3.49Å; L790-L813 HydrophobicContact CB-CG 3.84Å; L790-L813 HydrophobicContact CD1-CD2 4.25Å; L790-L813 HydrophobicContact CD1-CG 4.42Å; E791-L813 HydrophobicContact CG-CD2 3.96Å; L794-L813 HydrophobicContact CB-CD1 4.4Å; L794-L813 HydrophobicContact CD2-CD1 3.81Å; I809-L813 HydrophobicContact CG2-CD1 3.78Å; I809-L813 HydrophobicContact CG2-CG 4.09Å; I809-L813 WeakPolarHBondContact O-CB 3.4Å; I809-L813 WeakPolarHBondContact O-CG 3.42Å; I809-L813 PolarHBondContact O-N 3.05Å; N811-L813 PolarHBondContact O-N 3.17Å; L813-L815 VanDerWaalsContact C-N 3.32Å; L813-L815 PolarHBondContact O-N 3.2Å; L813-C816 WeakPolarHBondContact O-CB 3.43Å; L813-C816 PolarHBondContact O-N 3.22Å; L813-L817 VanDerWaalsContact O-CG 3.3Å; L813-L817 WeakPolarHBondContact O-CG 3.3Å; L813-L817 PolarHBondContact O-N 2.87Å |
| 814 | A | 90.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H810 N811 L812 L817 R818 A826 H829 L830 | H810-A814 PolarHBondContact O-N 3.33Å; N811-A814 WeakPolarHBondContact O-CB 3.39Å; N811-A814 PolarHBondContact O-N 3.46Å; N811-A814 VanDerWaalsContact O-N 3.15Å; L812-A814 VanDerWaalsContact C-N 3.28Å; L812-A814 PolarHBondContact O-N 2.8Å; A814-L817 PolarHBondContact O-N 3.13Å; A814-R818 WeakPolarHBondContact O-CB 3.09Å; A814-R818 PolarHBondContact O-N 2.95Å; A814-A826 HydrophobicContact CB-CB 4.48Å; A814-A826 WeakPolarHBondContact CB-O 3.41Å; A814-A826 WeakPolarHBondContact O-CB 3.39Å; A814-H829 HydrophobicContact CB-CB 3.76Å; A814-L830 HydrophobicContact CB-CB 4.48Å; A814-L830 HydrophobicContact CB-CD1 4.29Å; A814-L830 HydrophobicContact CB-CD2 3.6Å; A814-L830 HydrophobicContact CB-CG 3.45Å; A814-L830 VanDerWaalsContact CB-CG 3.45Å |
| 815 | L | 87.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 175 | -55.1 | -172.8 | 0 | 0 | 0 | 110.7 | D342 W775 V778 N811 L812 L813 L817 R818 H819 N852 | D342-L815 HydrophobicContact CB-CD1 3.87Å; D342-L815 HydrophobicContact CB-CD2 3.56Å; D342-L815 HydrophobicContact CB-CG 4.2Å; D342-L815 WeakPolarHBondContact OD2-CD2 3.46Å; W775-L815 HydrophobicContact CE3-CD1 4.31Å; W775-L815 HydrophobicContact CZ3-CD1 3.7Å; V778-L815 HydrophobicContact CG1-CB 4.1Å; N811-L815 WeakPolarHBondContact O-CG 3.42Å; N811-L815 PolarHBondContact O-N 2.8Å; N811-L815 VanDerWaalsContact O-N 3.11Å; L812-L815 HydrophobicContact CD2-CD1 4.39Å; L812-L815 WeakPolarHBondContact O-CB 3.37Å; L812-L815 PolarHBondContact O-N 2.96Å; L813-L815 VanDerWaalsContact C-N 3.32Å; L813-L815 PolarHBondContact O-N 3.2Å; L815-L817 PolarHBondContact O-N 2.98Å; L815-R818 WeakPolarHBondContact O-CB 3.43Å; L815-R818 PolarHBondContact O-N 3.31Å; L815-H819 PolarHBondContact O-CD2 2.94Å; L815-H819 PolarHBondContact O-N 2.95Å; L815-N852 HydrophobicContact CD2-CB 4.37Å |
| 816 | C | 88.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | V778 A783 A786 L812 L813 R818 H819 R820 | V778-C816 WeakPolarHBondContact CG2-SG 3.46Å; A783-C816 HydrophobicContact CB-CB 4.49Å; A786-C816 WeakPolarHBondContact CB-SG 3.46Å; L812-C816 PolarHBondContact O-N 3.46Å; L812-C816 PolarHBondContact O-SG 3.44Å; L813-C816 WeakPolarHBondContact O-CB 3.43Å; L813-C816 PolarHBondContact O-N 3.22Å; C816-R818 VanDerWaalsContact C-N 3.32Å; C816-R818 PolarHBondContact O-N 3.22Å; C816-H819 PolarHBondContact O-N 3.4Å; C816-R820 WeakPolarHBondContact O-CG 3.49Å; C816-R820 PolarHBondContact O-N 3.15Å |
| 817 | L | 89.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -34.3 | -177.7 | -70.3 | 166.8 | 0 | 0 | 0 | 112.3 | L813 A814 L815 R820 G821 R822 E825 A826 H829 | L813-L817 VanDerWaalsContact O-CG 3.3Å; L813-L817 WeakPolarHBondContact O-CG 3.3Å; L813-L817 PolarHBondContact O-N 2.87Å; A814-L817 PolarHBondContact O-N 3.13Å; L815-L817 PolarHBondContact O-N 2.98Å; L817-R820 CarbonylContact O-C 3.54Å; L817-R820 PolarHBondContact O-N 3.33Å; L817-G821 PolarHBondContact O-N 3.31Å; L817-R822 HydrophobicContact CB-CB 4.33Å; L817-R822 HydrophobicContact CD2-CB 4.3Å; L817-R822 PolarHBondContact O-N 3.16Å; L817-E825 HydrophobicContact CD1-CB 3.88Å; L817-A826 HydrophobicContact CB-CB 4.05Å; L817-H829 WeakPolarHBondContact CD1-CD2 3.24Å |
| 818 | R | 86.9 | Confident | 89.3 | Confident | 19 Ų | 19 | 44 Ų | 44 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 173.8 | 176.1 | -177.1 | 164.1 | -131.4 | -11.6 | 111.5 | D342 R343 A814 L815 C816 R820 G821 A826 C855 L856 D859 | D342-R818 IonicContact OD1-NH1 2.77Å; D342-R818 IonicContact OD2-CZ 2.82Å; D342-R818 IonicContact OD2-NH1 3.66Å; D342-R818 PolarHBondContact OD2-NH1 2.98Å; R343-R818 PolarHBondContact O-NH1 2.88Å; R343-R818 VanDerWaalsContact O-NH1 3.14Å; R343-R818 PolarHBondContact O-NH2 3.42Å; A814-R818 WeakPolarHBondContact O-CB 3.09Å; A814-R818 PolarHBondContact O-N 2.95Å; L815-R818 WeakPolarHBondContact O-CB 3.43Å; L815-R818 PolarHBondContact O-N 3.31Å; C816-R818 VanDerWaalsContact C-N 3.32Å; C816-R818 PolarHBondContact O-N 3.22Å; R818-R820 PolarHBondContact O-N 3.43Å; R818-G821 WeakPolarHBondContact O-CA 3.3Å; R818-G821 PolarHBondContact O-N 3.23Å; R818-A826 HydrophobicContact CB-CB 4.11Å; R818-C855 PolarHBondContact NH1-SG 3.28Å; R818-C855 PolarHBondContact NH2-SG 3.47Å; R818-L856 HydrophobicContact CB-CD1 4.18Å; R818-L856 HydrophobicContact CG-CD1 3.78Å; R818-D859 IonicContact CZ-OD2 3.18Å; R818-D859 IonicContact NE-OD2 2.7Å; R818-D859 PolarHBondContact NE-OD2 3.42Å; R818-D859 IonicContact NH2-OD1 3.01Å; R818-D859 PolarHBondContact NH2-OD1 3.45Å; R818-D859 IonicContact NH2-OD2 3.26Å; R818-D859 PolarHBondContact NH2-OD2 2.93Å |
| 819 | H | 82.7 | Confident | 89.6 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 40% | 0.403 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -25.3 | 174.4 | -76.6 | -62.5 | 0 | 0 | 0 | 113.2 | D342 A783 L815 C816 G821 | D342-H819 IonicContact OD1-CE1 3.22Å; D342-H819 IonicContact OD1-NE2 3.9Å; D342-H819 PolarHBondContact OD1-NE2 2.92Å; D342-H819 IonicContact OD2-CD2 2.65Å; D342-H819 IonicContact OD2-CE1 3.32Å; D342-H819 IonicContact OD2-NE2 2.81Å; D342-H819 PolarHBondContact OD2-NE2 2.94Å; D342-H819 VanDerWaalsContact OD2-NE2 3.13Å; A783-H819 HydrophobicContact CB-CB 4.19Å; L815-H819 PolarHBondContact O-CD2 2.94Å; L815-H819 PolarHBondContact O-N 2.95Å; C816-H819 PolarHBondContact O-N 3.4Å; H819-G821 VanDerWaalsContact C-N 3.33Å |
| 820 | R | 85.7 | Confident | 89.8 | Confident | 100 Ų | 100 | 45.3 Ų | 45.3 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.6 | 172.6 | -63.1 | -179.9 | 77.9 | -171.9 | 8.6 | 114 | A783 E784 C816 L817 R818 R822 | A783-R820 HydrophobicContact CB-CG 3.92Å; E784-R820 IonicContact OE1-CZ 3.78Å; E784-R820 IonicContact OE1-NE 2.59Å; E784-R820 IonicContact OE1-NH2 2.7Å; E784-R820 PolarHBondContact OE1-NH2 2.93Å; C816-R820 WeakPolarHBondContact O-CG 3.49Å; C816-R820 PolarHBondContact O-N 3.15Å; L817-R820 CarbonylContact O-C 3.54Å; L817-R820 PolarHBondContact O-N 3.33Å; R818-R820 PolarHBondContact O-N 3.43Å; R820-R822 VanDerWaalsContact C-N 3.32Å; R820-R822 HydrophobicContact CB-CG 4.48Å; R820-R822 PolarHBondContact O-N 3.29Å |
| 821 | G | 83.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | L817 R818 H819 V823 | L817-G821 PolarHBondContact O-N 3.31Å; R818-G821 WeakPolarHBondContact O-CA 3.3Å; R818-G821 PolarHBondContact O-N 3.23Å; H819-G821 VanDerWaalsContact C-N 3.33Å; G821-V823 VanDerWaalsContact C-N 3.28Å; G821-V823 PolarHBondContact O-N 3.49Å |
| 822 | R | 89.6 | Confident | 90.1 | Very high | 99 Ų | 99 | 49.6 Ų | 49.6 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | trans | -85.1 | 65.9 | 179.3 | -64.7 | -179 | 76.9 | -178.4 | 10.3 | 111.2 | L817 R820 R824 E825 A826 | L817-R822 HydrophobicContact CB-CB 4.33Å; L817-R822 HydrophobicContact CD2-CB 4.3Å; L817-R822 PolarHBondContact O-N 3.16Å; R820-R822 VanDerWaalsContact C-N 3.32Å; R820-R822 HydrophobicContact CB-CG 4.48Å; R820-R822 PolarHBondContact O-N 3.29Å; R822-R824 VanDerWaalsContact C-N 3.33Å; R822-R824 PolarHBondContact O-N 2.71Å; R822-E825 IonicContact CZ-OE1 3.14Å; R822-E825 IonicContact CZ-OE2 2.83Å; R822-E825 VanDerWaalsContact NE-CD 3.3Å; R822-E825 IonicContact NE-OE1 3.36Å; R822-E825 PolarHBondContact NE-OE1 3.45Å; R822-E825 IonicContact NE-OE2 3.58Å; R822-E825 PolarHBondContact NE-OE2 3.31Å; R822-E825 IonicContact NH1-OE2 2.7Å; R822-E825 PolarHBondContact NH1-OE2 2.99Å; R822-E825 IonicContact NH2-OE1 3.7Å; R822-E825 PolarHBondContact NH2-OE1 3.13Å; R822-E825 IonicContact NH2-OE2 3.21Å; R822-E825 PolarHBondContact NH2-OE2 3.45Å; R822-E825 PolarHBondContact O-N 2.92Å; R822-A826 PolarHBondContact O-N 3.43Å | ||
| 823 | V | 89.5 | Confident | 90.3 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.7 | -42.2 | -171.8 | -179.1 | 0 | 0 | 0 | 0 | 113.7 | G821 E825 G827 L856 | G821-V823 VanDerWaalsContact C-N 3.28Å; G821-V823 PolarHBondContact O-N 3.49Å; V823-E825 PolarHBondContact O-N 2.94Å; V823-G827 PolarHBondContact O-N 2.93Å; V823-L856 HydrophobicContact CG1-CD1 4.07Å; V823-L856 HydrophobicContact CG1-CD2 4.41Å; V823-L856 HydrophobicContact CG1-CG 4.21Å |
| 824 | R | 91.4 | Very high | 90.4 | Very high | 231 Ų | 231 | 50.9 Ų | 50.9 | 87% | 0.872 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.4 | -43.4 | -176.5 | -70.8 | -175.7 | -177 | 167.2 | 1.6 | 112.7 | R822 G827 W828 | R822-R824 VanDerWaalsContact C-N 3.33Å; R822-R824 PolarHBondContact O-N 2.71Å; R824-G827 PolarHBondContact O-N 3.46Å; R824-W828 PolarHBondContact O-N 3.43Å; R824-W828 VanDerWaalsContact O-N 3.08Å |
| 825 | E | 91.9 | Very high | 90.5 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 35% | 0.346 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.3 | -38.8 | -177.8 | -66.3 | 166.6 | -141.1 | 0 | 0 | 110.9 | L817 R822 V823 G827 W828 H829 | L817-E825 HydrophobicContact CD1-CB 3.88Å; R822-E825 IonicContact CZ-OE1 3.14Å; R822-E825 IonicContact CZ-OE2 2.83Å; R822-E825 VanDerWaalsContact NE-CD 3.3Å; R822-E825 IonicContact NE-OE1 3.36Å; R822-E825 PolarHBondContact NE-OE1 3.45Å; R822-E825 IonicContact NE-OE2 3.58Å; R822-E825 PolarHBondContact NE-OE2 3.31Å; R822-E825 IonicContact NH1-OE2 2.7Å; R822-E825 PolarHBondContact NH1-OE2 2.99Å; R822-E825 IonicContact NH2-OE1 3.7Å; R822-E825 PolarHBondContact NH2-OE1 3.13Å; R822-E825 IonicContact NH2-OE2 3.21Å; R822-E825 PolarHBondContact NH2-OE2 3.45Å; R822-E825 PolarHBondContact O-N 2.92Å; V823-E825 PolarHBondContact O-N 2.94Å; E825-G827 VanDerWaalsContact C-N 3.26Å; E825-G827 PolarHBondContact O-N 3.31Å; E825-W828 PolarHBondContact O-N 3.35Å; E825-W828 VanDerWaalsContact O-N 3.15Å; E825-H829 PolarHBondContact O-CD2 2.68Å; E825-H829 VanDerWaalsContact O-CD2 3.31Å; E825-H829 PolarHBondContact O-N 3.44Å |
| 826 | A | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -45.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A814 L817 R818 R822 W828 H829 L830 L856 | A814-A826 HydrophobicContact CB-CB 4.48Å; A814-A826 WeakPolarHBondContact CB-O 3.41Å; A814-A826 WeakPolarHBondContact O-CB 3.39Å; L817-A826 HydrophobicContact CB-CB 4.05Å; R818-A826 HydrophobicContact CB-CB 4.11Å; R822-A826 PolarHBondContact O-N 3.43Å; A826-W828 PolarHBondContact O-N 2.75Å; A826-H829 PolarHBondContact O-N 2.89Å; A826-L830 WeakPolarHBondContact O-CG 3.38Å; A826-L830 PolarHBondContact O-N 3.23Å; A826-L856 HydrophobicContact CB-CD1 4.11Å; A826-L856 HydrophobicContact CB-CD2 4.02Å |
| 827 | G | 92.4 | Very high | 90.8 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V823 R824 E825 H831 | V823-G827 PolarHBondContact O-N 2.93Å; R824-G827 PolarHBondContact O-N 3.46Å; E825-G827 VanDerWaalsContact C-N 3.26Å; E825-G827 PolarHBondContact O-N 3.31Å; G827-H831 WeakPolarHBondContact O-CB 3.38Å; G827-H831 PolarHBondContact O-N 2.92Å |
| 828 | W | 94.9 | Very high | 90.8 | Very high | 149 Ų | 149 | 65.2 Ų | 65.2 | 56% | 0.564 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.3 | -50.3 | 175.6 | -179.3 | 81.9 | 0 | 0 | 0 | 111.6 | H810 R824 E825 A826 L830 H831 S832 | H810-W828 AromaticContact CE1-CZ3 3.91Å; R824-W828 PolarHBondContact O-N 3.43Å; R824-W828 VanDerWaalsContact O-N 3.08Å; E825-W828 PolarHBondContact O-N 3.35Å; E825-W828 VanDerWaalsContact O-N 3.15Å; A826-W828 PolarHBondContact O-N 2.75Å; W828-L830 PolarHBondContact O-N 2.74Å; W828-H831 WeakPolarHBondContact O-CB 3.45Å; W828-H831 PolarHBondContact O-N 3.19Å; W828-H831 VanDerWaalsContact O-N 3.15Å; W828-S832 PolarHBondContact O-N 3.45Å; W828-S832 PolarHBondContact O-OG 2.59Å |
| 829 | H | 94.5 | Very high | 90.9 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 11% | 0.111 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 179.3 | -82.6 | -81.5 | 0 | 0 | 0 | 112.6 | H810 A814 L817 E825 A826 H831 S832 A833 | H810-H829 AromaticContact CE1-ND1 3.8Å; H810-H829 AromaticContact ND1-CE1 3.96Å; H810-H829 AromaticContact ND1-CG 3.96Å; H810-H829 AromaticContact ND1-ND1 3.07Å; H810-H829 PolarHBondContact ND1-ND1 2.89Å; H810-H829 WeakPolarHBondContact O-CB 3.39Å; A814-H829 HydrophobicContact CB-CB 3.76Å; L817-H829 WeakPolarHBondContact CD1-CD2 3.24Å; E825-H829 PolarHBondContact O-CD2 2.68Å; E825-H829 VanDerWaalsContact O-CD2 3.31Å; E825-H829 PolarHBondContact O-N 3.44Å; A826-H829 PolarHBondContact O-N 2.89Å; H829-H831 VanDerWaalsContact C-N 3.34Å; H829-H831 PolarHBondContact O-N 2.91Å; H829-S832 PolarHBondContact O-N 3.48Å; H829-A833 WeakPolarHBondContact O-CB 3.41Å; H829-A833 PolarHBondContact O-N 2.84Å |
| 830 | L | 92.8 | Very high | 91 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 174.9 | -69.9 | 170.7 | 0 | 0 | 0 | 112.8 | N811 A814 A826 W828 A833 L834 N852 L853 L856 | N811-L830 VanDerWaalsContact OD1-CD2 3.3Å; N811-L830 WeakPolarHBondContact OD1-CD2 3.4Å; A814-L830 HydrophobicContact CB-CB 4.48Å; A814-L830 HydrophobicContact CB-CD1 4.29Å; A814-L830 HydrophobicContact CB-CD2 3.6Å; A814-L830 HydrophobicContact CB-CG 3.45Å; A814-L830 VanDerWaalsContact CB-CG 3.45Å; A826-L830 WeakPolarHBondContact O-CG 3.38Å; A826-L830 PolarHBondContact O-N 3.23Å; W828-L830 PolarHBondContact O-N 2.74Å; L830-A833 PolarHBondContact O-N 2.77Å; L830-L834 WeakPolarHBondContact O-CB 3.36Å; L830-L834 PolarHBondContact O-N 3.06Å; L830-N852 HydrophobicContact CD1-CB 4.15Å; L830-N852 HydrophobicContact CD2-CB 3.55Å; L830-L853 HydrophobicContact CB-CD1 4.41Å; L830-L853 HydrophobicContact CB-CD2 3.49Å; L830-L853 VanDerWaalsContact CB-CD2 3.49Å; L830-L853 HydrophobicContact CB-CG 3.67Å; L830-L853 HydrophobicContact CD1-CD2 3.81Å; L830-L853 HydrophobicContact CD1-CG 4.03Å; L830-L853 HydrophobicContact CG-CD2 4.28Å; L830-L853 HydrophobicContact CG-CG 4.41Å; L830-L856 HydrophobicContact CD1-CB 4.29Å; L830-L856 HydrophobicContact CD1-CD2 4.03Å |
| 831 | H | 94.3 | Very high | 91 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 43% | 0.431 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.9 | -171 | -82.8 | 0 | 0 | 0 | 111.2 | G827 W828 H829 A833 L834 E835 | G827-H831 WeakPolarHBondContact O-CB 3.38Å; G827-H831 PolarHBondContact O-N 2.92Å; W828-H831 WeakPolarHBondContact O-CB 3.45Å; W828-H831 PolarHBondContact O-N 3.19Å; W828-H831 VanDerWaalsContact O-N 3.15Å; H829-H831 VanDerWaalsContact C-N 3.34Å; H829-H831 PolarHBondContact O-N 2.91Å; H831-A833 PolarHBondContact O-N 3.44Å; H831-L834 WeakPolarHBondContact O-CB 3.42Å; H831-L834 PolarHBondContact O-N 3.11Å; H831-L834 VanDerWaalsContact O-N 3.16Å; H831-E835 IonicContact CE1-OE1 2.7Å; H831-E835 PolarHBondContact CE1-OE1 2.89Å; H831-E835 IonicContact CE1-OE2 2.71Å; H831-E835 VanDerWaalsContact ND1-CD 3.34Å; H831-E835 IonicContact ND1-OE1 3.37Å; H831-E835 IonicContact ND1-OE2 3.31Å; H831-E835 PolarHBondContact ND1-OE2 3.39Å; H831-E835 PolarHBondContact O-N 3.21Å |
| 832 | S | 93.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | W828 H829 L834 E835 I836 | W828-S832 PolarHBondContact O-N 3.45Å; W828-S832 PolarHBondContact O-OG 2.59Å; H829-S832 PolarHBondContact O-N 3.48Å; S832-L834 VanDerWaalsContact C-N 3.27Å; S832-L834 PolarHBondContact O-N 2.95Å; S832-E835 PolarHBondContact O-N 3.26Å; S832-I836 WeakPolarHBondContact O-CB 3.07Å; S832-I836 WeakPolarHBondContact O-CD1 3.31Å; S832-I836 WeakPolarHBondContact O-CG1 3.32Å; S832-I836 PolarHBondContact O-N 3.47Å |
| 833 | A | 92.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G807 H810 N811 H829 L830 H831 S837 A849 | G807-A833 WeakPolarHBondContact O-CB 3.3Å; H810-A833 HydrophobicContact CB-CB 3.84Å; N811-A833 HydrophobicContact CB-CB 4.27Å; N811-A833 VanDerWaalsContact CG-CB 3.49Å; N811-A833 WeakPolarHBondContact OD1-CB 3.14Å; H829-A833 WeakPolarHBondContact O-CB 3.41Å; H829-A833 PolarHBondContact O-N 2.84Å; L830-A833 PolarHBondContact O-N 2.77Å; H831-A833 PolarHBondContact O-N 3.44Å; A833-S837 VanDerWaalsContact O-CB 3.27Å; A833-S837 WeakPolarHBondContact O-CB 3.47Å; A833-S837 PolarHBondContact O-N 2.85Å; A833-S837 PolarHBondContact O-OG 3.44Å; A833-A849 HydrophobicContact CB-CB 4.31Å |
| 834 | L | 93.6 | Very high | 90.7 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 176.3 | 178.6 | 61.5 | 0 | 0 | 0 | 112.6 | L830 H831 S832 S837 R838 Q846 A849 L850 L853 | L830-L834 WeakPolarHBondContact O-CB 3.36Å; L830-L834 PolarHBondContact O-N 3.06Å; H831-L834 WeakPolarHBondContact O-CB 3.42Å; H831-L834 PolarHBondContact O-N 3.11Å; H831-L834 VanDerWaalsContact O-N 3.16Å; S832-L834 VanDerWaalsContact C-N 3.27Å; S832-L834 PolarHBondContact O-N 2.95Å; L834-S837 WeakPolarHBondContact CA-OG 3.45Å; L834-S837 PolarHBondContact O-OG 3.13Å; L834-R838 VanDerWaalsContact O-CB 3.3Å; L834-R838 WeakPolarHBondContact O-CB 3.08Å; L834-R838 PolarHBondContact O-N 3.15Å; L834-R838 VanDerWaalsContact O-N 3.08Å; L834-Q846 HydrophobicContact CD1-CG 3.57Å; L834-A849 HydrophobicContact CB-CB 3.99Å; L834-A849 HydrophobicContact CD1-CB 4.33Å; L834-L850 HydrophobicContact CD1-CD1 4.23Å; L834-L850 HydrophobicContact CD1-CD2 4.05Å; L834-L850 HydrophobicContact CD1-CG 3.69Å; L834-L850 HydrophobicContact CD2-CD2 3.73Å; L834-L850 HydrophobicContact CD2-CG 4.3Å; L834-L853 HydrophobicContact CD2-CD1 4.08Å |
| 835 | E | 93.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 177.4 | -72.1 | 178.5 | 140.1 | 0 | 0 | 110.9 | H831 S832 S837 R838 E839 | H831-E835 IonicContact CE1-OE1 2.7Å; H831-E835 PolarHBondContact CE1-OE1 2.89Å; H831-E835 IonicContact CE1-OE2 2.71Å; H831-E835 VanDerWaalsContact ND1-CD 3.34Å; H831-E835 IonicContact ND1-OE1 3.37Å; H831-E835 IonicContact ND1-OE2 3.31Å; H831-E835 PolarHBondContact ND1-OE2 3.39Å; H831-E835 PolarHBondContact O-N 3.21Å; S832-E835 PolarHBondContact O-N 3.26Å; E835-S837 PolarHBondContact O-N 3.45Å; E835-R838 WeakPolarHBondContact O-CB 3.35Å; E835-R838 PolarHBondContact O-N 3.36Å; E835-R838 VanDerWaalsContact O-N 3.15Å; E835-E839 WeakPolarHBondContact O-CG 3.49Å; E835-E839 PolarHBondContact O-N 2.81Å |
| 836 | I | 91.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | -180 | -65.6 | 165.5 | 0 | 0 | 0 | 111.5 | P803 Q806 S832 R838 E839 S840 | P803-I836 HydrophobicContact CB-CG2 3.84Å; P803-I836 WeakPolarHBondContact O-CG2 3.43Å; Q806-I836 HydrophobicContact CB-CD1 4.21Å; S832-I836 WeakPolarHBondContact O-CB 3.07Å; S832-I836 WeakPolarHBondContact O-CD1 3.31Å; S832-I836 WeakPolarHBondContact O-CG1 3.32Å; S832-I836 PolarHBondContact O-N 3.47Å; I836-R838 VanDerWaalsContact C-N 3.32Å; I836-R838 PolarHBondContact O-N 2.94Å; I836-E839 PolarHBondContact O-N 3.34Å; I836-S840 WeakPolarHBondContact O-CB 3.25Å; I836-S840 PolarHBondContact O-N 3.26Å; I836-S840 PolarHBondContact O-OG 3.34Å |
| 837 | S | 89.6 | Confident | 90.2 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -33.8 | 177 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | A833 L834 E835 S840 G841 N842 Q846 | A833-S837 VanDerWaalsContact O-CB 3.27Å; A833-S837 WeakPolarHBondContact O-CB 3.47Å; A833-S837 PolarHBondContact O-N 2.85Å; A833-S837 PolarHBondContact O-OG 3.44Å; L834-S837 WeakPolarHBondContact CA-OG 3.45Å; L834-S837 PolarHBondContact O-OG 3.13Å; E835-S837 PolarHBondContact O-N 3.45Å; S837-S840 WeakPolarHBondContact CA-OG 3.49Å; S837-S840 PolarHBondContact O-OG 3.21Å; S837-G841 PolarHBondContact O-N 3.26Å; S837-N842 PolarHBondContact O-N 3.48Å; S837-Q846 VanDerWaalsContact OG-CA 3.25Å; S837-Q846 WeakPolarHBondContact OG-CA 3.34Å; S837-Q846 PolarHBondContact OG-N 3.33Å |
| 838 | R | 89.9 | Confident | 90.1 | Very high | 187 Ų | 187 | 50.7 Ų | 50.7 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69 | -41 | 174.3 | -174.1 | -178.8 | -177.3 | -175.1 | -0.8 | 112.1 | L834 E835 I836 G841 | L834-R838 VanDerWaalsContact O-CB 3.3Å; L834-R838 WeakPolarHBondContact O-CB 3.08Å; L834-R838 PolarHBondContact O-N 3.15Å; L834-R838 VanDerWaalsContact O-N 3.08Å; E835-R838 WeakPolarHBondContact O-CB 3.35Å; E835-R838 PolarHBondContact O-N 3.36Å; E835-R838 VanDerWaalsContact O-N 3.15Å; I836-R838 VanDerWaalsContact C-N 3.32Å; I836-R838 PolarHBondContact O-N 2.94Å; R838-G841 PolarHBondContact O-N 3.36Å |
| 839 | E | 89.1 | Confident | 89.8 | Confident | 164 Ų | 164 | 43.6 Ų | 43.6 | 77% | 0.766 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -70.9 | -39.6 | 178.5 | -71.8 | 175.4 | 178.9 | 0 | 0 | 112.2 | E835 I836 G841 | E835-E839 WeakPolarHBondContact O-CG 3.49Å; E835-E839 PolarHBondContact O-N 2.81Å; I836-E839 PolarHBondContact O-N 3.34Å; E839-G841 PolarHBondContact O-N 3.07Å |
| 840 | S | 86.3 | Confident | 89.8 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.7 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | I836 S837 N842 | I836-S840 WeakPolarHBondContact O-CB 3.25Å; I836-S840 PolarHBondContact O-N 3.26Å; I836-S840 PolarHBondContact O-OG 3.34Å; S837-S840 WeakPolarHBondContact CA-OG 3.49Å; S837-S840 PolarHBondContact O-OG 3.21Å; S840-N842 PolarHBondContact O-N 3.32Å |
| 841 | G | 84.5 | Confident | 89.7 | Confident | 55 Ų | 55 | 42.8 Ų | 42.8 | 57% | 0.567 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 11.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S837 R838 E839 Q843 | S837-G841 PolarHBondContact O-N 3.26Å; R838-G841 PolarHBondContact O-N 3.36Å; E839-G841 PolarHBondContact O-N 3.07Å; G841-Q843 PolarHBondContact O-N 3.03Å |
| 842 | N | 85.4 | Confident | 89.5 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | trans | -79.6 | 85.9 | 178.5 | -169.1 | -37.8 | 0 | 0 | 0 | 110.5 | S837 S840 R844 N845 Q846 | S837-N842 PolarHBondContact O-N 3.48Å; S840-N842 PolarHBondContact O-N 3.32Å; N842-R844 VanDerWaalsContact C-N 3.27Å; N842-R844 PolarHBondContact O-N 2.93Å; N842-R844 PolarHBondContact OD1-N 3.22Å; N842-N845 HydrophobicContact CB-CB 4.31Å; N842-N845 PolarHBondContact ND2-ND2 2.62Å; N842-N845 PolarHBondContact O-N 3.07Å; N842-N845 PolarHBondContact OD1-N 3.47Å; N842-Q846 WeakPolarHBondContact O-CB 3.11Å; N842-Q846 PolarHBondContact O-N 2.88Å | ||
| 843 | Q | 86.9 | Confident | 89.5 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.3 | -35.3 | -177.9 | -73.4 | -178 | -27.9 | 0 | 0 | 113.4 | G841 Q846 A847 L880 | G841-Q843 PolarHBondContact O-N 3.03Å; Q843-Q846 WeakPolarHBondContact O-CB 3.39Å; Q843-Q846 PolarHBondContact O-N 2.93Å; Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 3.49Å; Q843-L880 HydrophobicContact CB-CD1 4.18Å; Q843-L880 HydrophobicContact CB-CD2 3.91Å; Q843-L880 HydrophobicContact CB-CG 4.33Å |
| 844 | R | 84.8 | Confident | 89.4 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 13% | 0.125 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -53.1 | 177.6 | -179.1 | -176.5 | 176.7 | -170.2 | -6.3 | 111.2 | N842 Q846 A847 L848 L880 T885 E888 | N842-R844 VanDerWaalsContact C-N 3.27Å; N842-R844 PolarHBondContact O-N 2.93Å; N842-R844 PolarHBondContact OD1-N 3.22Å; R844-Q846 PolarHBondContact O-N 2.88Å; R844-A847 WeakPolarHBondContact O-CB 3.44Å; R844-A847 PolarHBondContact O-N 3.39Å; R844-A847 VanDerWaalsContact O-N 3.1Å; R844-L848 HydrophobicContact CG-CD1 4.32Å; R844-L848 WeakPolarHBondContact O-CG 3.45Å; R844-L848 PolarHBondContact O-N 3.04Å; R844-L880 HydrophobicContact CB-CD1 4.13Å; R844-T885 HydrophobicContact CG-CG2 4.09Å; R844-E888 IonicContact CZ-OE1 2.83Å; R844-E888 IonicContact CZ-OE2 3.19Å; R844-E888 IonicContact NE-OE1 2.65Å; R844-E888 IonicContact NE-OE2 3.26Å; R844-E888 PolarHBondContact NE-OE2 2.75Å; R844-E888 IonicContact NH2-OE1 3.2Å; R844-E888 PolarHBondContact NH2-OE1 3.44Å; R844-E888 IonicContact NH2-OE2 3.72Å |
| 845 | N | 85.7 | Confident | 89.2 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -32.3 | 178.3 | -83.1 | -30.4 | 0 | 0 | 0 | 112.1 | S336 Y339 N842 L848 A849 | S336-N845 PolarHBondContact O-OD1 3.03Å; Y339-N845 PolarHBondContact OH-OD1 2.92Å; N842-N845 HydrophobicContact CB-CB 4.31Å; N842-N845 PolarHBondContact ND2-ND2 2.62Å; N842-N845 PolarHBondContact O-N 3.07Å; N842-N845 PolarHBondContact OD1-N 3.47Å; N845-L848 PolarHBondContact O-N 3.04Å; N845-A849 WeakPolarHBondContact O-CB 3.19Å; N845-A849 PolarHBondContact O-N 2.88Å |
| 846 | Q | 90.1 | Very high | 89 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.1 | -165.4 | -169.3 | -5 | 0 | 0 | 111.6 | L834 S837 N842 Q843 R844 A849 L850 L876 | L834-Q846 HydrophobicContact CD1-CG 3.57Å; S837-Q846 VanDerWaalsContact OG-CA 3.25Å; S837-Q846 WeakPolarHBondContact OG-CA 3.34Å; S837-Q846 PolarHBondContact OG-N 3.33Å; N842-Q846 WeakPolarHBondContact O-CB 3.11Å; N842-Q846 PolarHBondContact O-N 2.88Å; Q843-Q846 WeakPolarHBondContact O-CB 3.39Å; Q843-Q846 PolarHBondContact O-N 2.93Å; R844-Q846 PolarHBondContact O-N 2.88Å; Q846-A849 PolarHBondContact O-N 2.71Å; Q846-L850 WeakPolarHBondContact O-CG 3.37Å; Q846-L850 PolarHBondContact O-N 2.69Å; Q846-L850 VanDerWaalsContact O-N 3.13Å; Q846-L876 HydrophobicContact CB-CD1 3.99Å; Q846-L876 HydrophobicContact CG-CD1 3.69Å |
| 847 | A | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q843 R844 L850 A851 S873 L876 F877 | Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 3.49Å; R844-A847 WeakPolarHBondContact O-CB 3.44Å; R844-A847 PolarHBondContact O-N 3.39Å; R844-A847 VanDerWaalsContact O-N 3.1Å; A847-L850 PolarHBondContact O-N 3.42Å; A847-A851 WeakPolarHBondContact O-CB 3.45Å; A847-A851 PolarHBondContact O-N 2.75Å; A847-S873 WeakPolarHBondContact O-CB 3.44Å; A847-S873 PolarHBondContact O-OG 3.03Å; A847-L876 HydrophobicContact CB-CB 3.86Å; A847-L876 HydrophobicContact CB-CD1 4.27Å; A847-F877 HydrophobicContact CB-CD1 4.02Å; A847-F877 HydrophobicContact CB-CD2 3.82Å; A847-F877 HydrophobicContact CB-CE1 3.9Å; A847-F877 HydrophobicContact CB-CE2 3.68Å; A847-F877 HydrophobicContact CB-CG 3.98Å; A847-F877 HydrophobicContact CB-CZ 3.73Å |
| 848 | L | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 176.7 | -69.4 | 176.1 | 0 | 0 | 0 | 112.6 | Y339 L341 R844 N845 L850 A851 N852 F877 E888 | Y339-L848 HydrophobicContact CE2-CD1 4.19Å; L341-L848 HydrophobicContact CD1-CD2 4.31Å; L341-L848 HydrophobicContact CD2-CB 4.34Å; L341-L848 HydrophobicContact CD2-CD2 3.38Å; L341-L848 HydrophobicContact CD2-CG 4.48Å; L341-L848 HydrophobicContact CG-CD2 3.51Å; R844-L848 HydrophobicContact CG-CD1 4.32Å; R844-L848 WeakPolarHBondContact O-CG 3.45Å; R844-L848 PolarHBondContact O-N 3.04Å; N845-L848 PolarHBondContact O-N 3.04Å; L848-L850 VanDerWaalsContact C-N 3.33Å; L848-L850 PolarHBondContact O-N 3Å; L848-A851 PolarHBondContact O-N 3.06Å; L848-N852 WeakPolarHBondContact O-CB 3.4Å; L848-N852 PolarHBondContact O-N 3.21Å; L848-N852 PolarHBondContact O-ND2 3Å; L848-F877 HydrophobicContact CD2-CZ 4.01Å; L848-F877 HydrophobicContact CG-CZ 4.42Å; L848-E888 HydrophobicContact CD2-CB 4.41Å; L848-E888 HydrophobicContact CD2-CG 4.17Å |
| 849 | A | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A833 L834 N845 Q846 N852 L853 | A833-A849 HydrophobicContact CB-CB 4.31Å; L834-A849 HydrophobicContact CB-CB 3.99Å; L834-A849 HydrophobicContact CD1-CB 4.33Å; N845-A849 WeakPolarHBondContact O-CB 3.19Å; N845-A849 PolarHBondContact O-N 2.88Å; Q846-A849 PolarHBondContact O-N 2.71Å; A849-N852 PolarHBondContact O-N 3.37Å; A849-L853 WeakPolarHBondContact O-CG 3.43Å; A849-L853 PolarHBondContact O-N 2.93Å |
| 850 | L | 93.3 | Very high | 88.5 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.1 | -75.2 | 167.9 | 0 | 0 | 0 | 112.4 | L834 Q846 A847 L848 N852 L853 G854 F869 R872 L876 | L834-L850 HydrophobicContact CD1-CD1 4.23Å; L834-L850 HydrophobicContact CD1-CD2 4.05Å; L834-L850 HydrophobicContact CD1-CG 3.69Å; L834-L850 HydrophobicContact CD2-CD2 3.73Å; L834-L850 HydrophobicContact CD2-CG 4.3Å; Q846-L850 WeakPolarHBondContact O-CG 3.37Å; Q846-L850 PolarHBondContact O-N 2.69Å; Q846-L850 VanDerWaalsContact O-N 3.13Å; A847-L850 PolarHBondContact O-N 3.42Å; L848-L850 VanDerWaalsContact C-N 3.33Å; L848-L850 PolarHBondContact O-N 3Å; L850-N852 VanDerWaalsContact C-N 3.35Å; L850-N852 PolarHBondContact O-N 3.49Å; L850-L853 WeakPolarHBondContact O-CB 3.39Å; L850-L853 PolarHBondContact O-N 3.1Å; L850-G854 PolarHBondContact O-N 3.01Å; L850-F869 HydrophobicContact CD2-CD1 3.88Å; L850-F869 WeakPolarHBondContact O-CB 3.48Å; L850-R872 HydrophobicContact CD1-CB 3.96Å; L850-L876 HydrophobicContact CD1-CD1 3.68Å |
| 851 | A | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L341 A847 L848 L853 G854 C855 S873 V892 W895 | L341-A851 HydrophobicContact CD1-CB 4.13Å; L341-A851 HydrophobicContact CD2-CB 3.5Å; L341-A851 HydrophobicContact CG-CB 4.49Å; A847-A851 WeakPolarHBondContact O-CB 3.45Å; A847-A851 PolarHBondContact O-N 2.75Å; L848-A851 PolarHBondContact O-N 3.06Å; A851-L853 PolarHBondContact O-N 3.11Å; A851-G854 CarbonylContact O-C 3.54Å; A851-G854 WeakPolarHBondContact O-CA 3.45Å; A851-G854 PolarHBondContact O-N 3.28Å; A851-G854 VanDerWaalsContact O-N 3.12Å; A851-C855 PolarHBondContact O-N 3.36Å; A851-S873 WeakPolarHBondContact CB-OG 3.44Å; A851-V892 HydrophobicContact CB-CG2 3.65Å; A851-W895 HydrophobicContact CB-CE3 4.43Å; A851-W895 HydrophobicContact CB-CZ3 4.03Å |
| 852 | N | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 176.6 | -71.6 | -27.4 | 0 | 0 | 0 | 112.4 | L341 L815 L830 L848 A849 L850 G854 C855 L856 | L341-N852 WeakPolarHBondContact CD2-OD1 3.11Å; L815-N852 HydrophobicContact CD2-CB 4.37Å; L830-N852 HydrophobicContact CD1-CB 4.15Å; L830-N852 HydrophobicContact CD2-CB 3.55Å; L848-N852 WeakPolarHBondContact O-CB 3.4Å; L848-N852 PolarHBondContact O-N 3.21Å; L848-N852 PolarHBondContact O-ND2 3Å; A849-N852 PolarHBondContact O-N 3.37Å; L850-N852 VanDerWaalsContact C-N 3.35Å; L850-N852 PolarHBondContact O-N 3.49Å; N852-G854 VanDerWaalsContact C-N 3.31Å; N852-C855 WeakPolarHBondContact O-CB 3.3Å; N852-C855 PolarHBondContact O-N 2.86Å; N852-L856 WeakPolarHBondContact O-CB 3.47Å; N852-L856 PolarHBondContact O-N 3.29Å |
| 853 | L | 92.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 169.7 | -78.8 | 168.1 | 0 | 0 | 0 | 111.5 | L830 L834 A849 L850 A851 A857 F869 | L830-L853 HydrophobicContact CB-CD1 4.41Å; L830-L853 HydrophobicContact CB-CD2 3.49Å; L830-L853 VanDerWaalsContact CB-CD2 3.49Å; L830-L853 HydrophobicContact CB-CG 3.67Å; L830-L853 HydrophobicContact CD1-CD2 3.81Å; L830-L853 HydrophobicContact CD1-CG 4.03Å; L830-L853 HydrophobicContact CG-CD2 4.28Å; L830-L853 HydrophobicContact CG-CG 4.41Å; L834-L853 HydrophobicContact CD2-CD1 4.08Å; A849-L853 WeakPolarHBondContact O-CG 3.43Å; A849-L853 PolarHBondContact O-N 2.93Å; L850-L853 WeakPolarHBondContact O-CB 3.39Å; L850-L853 PolarHBondContact O-N 3.1Å; A851-L853 PolarHBondContact O-N 3.11Å; L853-A857 WeakPolarHBondContact O-CB 3.49Å; L853-A857 PolarHBondContact O-N 3.32Å; L853-F869 HydrophobicContact CB-CB 4.32Å; L853-F869 HydrophobicContact CB-CD1 4.09Å; L853-F869 HydrophobicContact CB-CD2 3.93Å; L853-F869 HydrophobicContact CB-CE1 4.36Å; L853-F869 HydrophobicContact CB-CE2 4.21Å; L853-F869 HydrophobicContact CB-CG 3.88Å; L853-F869 HydrophobicContact CB-CZ 4.42Å; L853-F869 HydrophobicContact CD1-CD1 4.24Å; L853-F869 HydrophobicContact CD1-CE1 4.01Å; L853-F869 HydrophobicContact CD1-CZ 4.4Å |
| 854 | G | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L850 A851 N852 A857 L858 A866 | L850-G854 PolarHBondContact O-N 3.01Å; A851-G854 CarbonylContact O-C 3.54Å; A851-G854 WeakPolarHBondContact O-CA 3.45Å; A851-G854 PolarHBondContact O-N 3.28Å; A851-G854 VanDerWaalsContact O-N 3.12Å; N852-G854 VanDerWaalsContact C-N 3.31Å; G854-A857 WeakPolarHBondContact O-CB 3.27Å; G854-A857 PolarHBondContact O-N 2.87Å; G854-L858 PolarHBondContact O-N 3.48Å; G854-A866 WeakPolarHBondContact O-CB 3.26Å |
| 855 | C | 88.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 176 | -164.5 | 0 | 0 | 0 | 0 | 112 | L344 R818 A851 N852 A857 L858 D859 W895 | L344-C855 HydrophobicContact CD1-CB 4.41Å; L344-C855 WeakPolarHBondContact CD1-SG 3.32Å; L344-C855 WeakPolarHBondContact CG-SG 3.48Å; R818-C855 PolarHBondContact NH1-SG 3.28Å; R818-C855 PolarHBondContact NH2-SG 3.47Å; A851-C855 PolarHBondContact O-N 3.36Å; N852-C855 WeakPolarHBondContact O-CB 3.3Å; N852-C855 PolarHBondContact O-N 2.86Å; C855-A857 VanDerWaalsContact C-N 3.25Å; C855-A857 PolarHBondContact O-N 3.2Å; C855-L858 WeakPolarHBondContact O-CB 3.15Å; C855-L858 PolarHBondContact O-N 2.99Å; C855-L858 VanDerWaalsContact O-N 3.08Å; C855-D859 PolarHBondContact O-N 3Å; C855-W895 HydrophobicContact CB-CD2 4.47Å; C855-W895 HydrophobicContact CB-CE3 4.09Å; C855-W895 HydrophobicContact CB-CH2 3.85Å; C855-W895 HydrophobicContact CB-CZ2 4.25Å; C855-W895 HydrophobicContact CB-CZ3 3.78Å; C855-W895 VanDerWaalsContact SG-CZ2 3.6Å |
| 856 | L | 90 | Very high | 89.6 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 175.3 | -176.2 | 68.9 | 0 | 0 | 0 | 111.7 | R818 V823 A826 L830 N852 D859 S860 | R818-L856 HydrophobicContact CB-CD1 4.18Å; R818-L856 HydrophobicContact CG-CD1 3.78Å; V823-L856 HydrophobicContact CG1-CD1 4.07Å; V823-L856 HydrophobicContact CG1-CD2 4.41Å; V823-L856 HydrophobicContact CG1-CG 4.21Å; A826-L856 HydrophobicContact CB-CD1 4.11Å; A826-L856 HydrophobicContact CB-CD2 4.02Å; L830-L856 HydrophobicContact CD1-CB 4.29Å; L830-L856 HydrophobicContact CD1-CD2 4.03Å; N852-L856 WeakPolarHBondContact O-CB 3.47Å; N852-L856 PolarHBondContact O-N 3.29Å; L856-D859 PolarHBondContact O-N 3.38Å; L856-S860 PolarHBondContact O-N 2.94Å; L856-S860 VanDerWaalsContact O-N 3.11Å; L856-S860 PolarHBondContact O-OG 3.35Å |
| 857 | A | 90.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 25.5 Ų | 25.5 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L853 G854 C855 S860 G861 A862 L865 A866 | L853-A857 WeakPolarHBondContact O-CB 3.49Å; L853-A857 PolarHBondContact O-N 3.32Å; G854-A857 WeakPolarHBondContact O-CB 3.27Å; G854-A857 PolarHBondContact O-N 2.87Å; C855-A857 VanDerWaalsContact C-N 3.25Å; C855-A857 PolarHBondContact O-N 3.2Å; A857-S860 WeakPolarHBondContact CA-OG 3.45Å; A857-S860 PolarHBondContact O-N 3.01Å; A857-S860 PolarHBondContact O-OG 3.41Å; A857-G861 PolarHBondContact O-N 3.37Å; A857-A862 HydrophobicContact CB-CB 4.31Å; A857-A862 WeakPolarHBondContact O-CA 3.37Å; A857-A862 PolarHBondContact O-N 3.32Å; A857-L865 HydrophobicContact CB-CB 4.2Å; A857-A866 HydrophobicContact CB-CB 3.86Å |
| 858 | L | 87.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 173.5 | -69.8 | 171.3 | 0 | 0 | 0 | 112 | L344 G854 C855 S860 G861 A866 L870 W895 | L344-L858 HydrophobicContact CD1-CB 4.28Å; L344-L858 HydrophobicContact CD1-CD1 3.62Å; L344-L858 HydrophobicContact CD2-CB 4.3Å; G854-L858 PolarHBondContact O-N 3.48Å; C855-L858 WeakPolarHBondContact O-CB 3.15Å; C855-L858 PolarHBondContact O-N 2.99Å; C855-L858 VanDerWaalsContact O-N 3.08Å; L858-S860 PolarHBondContact O-N 3.4Å; L858-G861 PolarHBondContact O-N 3.34Å; L858-A866 HydrophobicContact CD2-CB 3.59Å; L858-A866 HydrophobicContact CG-CB 3.61Å; L858-L870 HydrophobicContact CD1-CD1 4.25Å; L858-W895 HydrophobicContact CD1-CB 4.15Å |
| 859 | D | 84.4 | Confident | 90.2 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -34.2 | 176.8 | -67.1 | 0.4 | 0 | 0 | 0 | 112 | L344 R818 C855 L856 G861 | L344-D859 WeakPolarHBondContact CD2-OD1 3.31Å; R818-D859 IonicContact CZ-OD2 3.18Å; R818-D859 IonicContact NE-OD2 2.7Å; R818-D859 PolarHBondContact NE-OD2 3.42Å; R818-D859 IonicContact NH2-OD1 3.01Å; R818-D859 PolarHBondContact NH2-OD1 3.45Å; R818-D859 IonicContact NH2-OD2 3.26Å; R818-D859 PolarHBondContact NH2-OD2 2.93Å; C855-D859 PolarHBondContact O-N 3Å; L856-D859 PolarHBondContact O-N 3.38Å; D859-G861 VanDerWaalsContact C-N 3.3Å; D859-G861 PolarHBondContact O-N 2.93Å |
| 860 | S | 87.6 | Confident | 90.3 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.7 | 176.9 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | L856 A857 L858 A862 | L856-S860 PolarHBondContact O-N 2.94Å; L856-S860 VanDerWaalsContact O-N 3.11Å; L856-S860 PolarHBondContact O-OG 3.35Å; A857-S860 WeakPolarHBondContact CA-OG 3.45Å; A857-S860 PolarHBondContact O-N 3.01Å; A857-S860 PolarHBondContact O-OG 3.41Å; L858-S860 PolarHBondContact O-N 3.4Å; S860-A862 VanDerWaalsContact C-N 3.27Å; S860-A862 PolarHBondContact O-N 3.35Å |
| 861 | G | 85.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 57% | 0.567 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 11.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A857 L858 D859 N863 | A857-G861 PolarHBondContact O-N 3.37Å; L858-G861 PolarHBondContact O-N 3.34Å; D859-G861 VanDerWaalsContact C-N 3.3Å; D859-G861 PolarHBondContact O-N 2.93Å; G861-N863 VanDerWaalsContact C-N 3.33Å; G861-N863 PolarHBondContact O-N 3.46Å; G861-N863 VanDerWaalsContact O-N 3.14Å |
| 862 | A | 89.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 45 Ų | 45 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | trans | -88.9 | 59.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A857 S860 L864 L865 A866 | A857-A862 HydrophobicContact CB-CB 4.31Å; A857-A862 WeakPolarHBondContact O-CA 3.37Å; A857-A862 PolarHBondContact O-N 3.32Å; S860-A862 VanDerWaalsContact C-N 3.27Å; S860-A862 PolarHBondContact O-N 3.35Å; A862-L864 VanDerWaalsContact C-N 3.27Å; A862-L864 PolarHBondContact O-N 3.36Å; A862-L864 VanDerWaalsContact O-N 3.08Å; A862-L865 HydrophobicContact CB-CB 4.34Å; A862-L865 HydrophobicContact CB-CD1 4.21Å; A862-L865 PolarHBondContact O-N 2.69Å; A862-A866 PolarHBondContact O-N 3.04Å | ||
| 863 | N | 87.8 | Confident | 90.5 | Very high | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -31.8 | -169.1 | -58.6 | -15 | 0 | 0 | 0 | 114.7 | G861 A866 E867 S899 D902 R903 | G861-N863 VanDerWaalsContact C-N 3.33Å; G861-N863 PolarHBondContact O-N 3.46Å; G861-N863 VanDerWaalsContact O-N 3.14Å; N863-A866 PolarHBondContact O-N 3.32Å; N863-E867 PolarHBondContact O-N 3.08Å; N863-S899 PolarHBondContact O-OG 3.16Å; N863-S899 VanDerWaalsContact O-OG 3.04Å; N863-D902 WeakPolarHBondContact ND2-CB 3.42Å; N863-R903 HydrophobicContact CB-CG 3.9Å |
| 864 | L | 88.9 | Confident | 90.4 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.8 | -35.2 | 177.9 | -170.8 | 71.1 | 0 | 0 | 0 | 112.4 | A862 R868 | A862-L864 VanDerWaalsContact C-N 3.27Å; A862-L864 PolarHBondContact O-N 3.36Å; A862-L864 VanDerWaalsContact O-N 3.08Å; L864-R868 WeakPolarHBondContact O-CG 3.3Å; L864-R868 PolarHBondContact O-N 3.42Å |
| 865 | L | 91.9 | Very high | 90.3 | Very high | 89 Ų | 89 | 48 Ų | 48 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.4 | -40.2 | 174.7 | -73.2 | 171.2 | 0 | 0 | 0 | 110 | A857 A862 E867 R868 F869 | A857-L865 HydrophobicContact CB-CB 4.2Å; A862-L865 HydrophobicContact CB-CB 4.34Å; A862-L865 HydrophobicContact CB-CD1 4.21Å; A862-L865 PolarHBondContact O-N 2.69Å; L865-E867 PolarHBondContact O-N 3.33Å; L865-R868 PolarHBondContact O-N 3.46Å; L865-F869 HydrophobicContact CB-CE2 4.34Å; L865-F869 WeakPolarHBondContact O-CD2 3.29Å; L865-F869 PolarHBondContact O-N 2.98Å |
| 866 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.9 | -53.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | G854 A857 L858 A862 N863 R868 F869 L870 | G854-A866 WeakPolarHBondContact O-CB 3.26Å; A857-A866 HydrophobicContact CB-CB 3.86Å; L858-A866 HydrophobicContact CD2-CB 3.59Å; L858-A866 HydrophobicContact CG-CB 3.61Å; A862-A866 PolarHBondContact O-N 3.04Å; N863-A866 PolarHBondContact O-N 3.32Å; A866-R868 VanDerWaalsContact C-N 3.31Å; A866-R868 PolarHBondContact O-N 2.83Å; A866-F869 PolarHBondContact O-N 2.7Å; A866-L870 HydrophobicContact CB-CD1 4.41Å; A866-L870 WeakPolarHBondContact O-CB 3.48Å; A866-L870 WeakPolarHBondContact O-CG 3.5Å; A866-L870 PolarHBondContact O-N 2.62Å |
| 867 | E | 92.6 | Very high | 90 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.6 | -46.7 | 176.7 | 179.8 | -177.1 | 146 | 0 | 0 | 112.2 | N863 L865 F869 L870 V871 L896 Y900 R903 | N863-E867 PolarHBondContact O-N 3.08Å; L865-E867 PolarHBondContact O-N 3.33Å; E867-F869 PolarHBondContact O-N 3.31Å; E867-L870 PolarHBondContact O-N 2.9Å; E867-V871 HydrophobicContact CG-CG2 4.3Å; E867-V871 WeakPolarHBondContact O-CB 3.43Å; E867-V871 VanDerWaalsContact O-CG2 3.24Å; E867-V871 WeakPolarHBondContact O-CG2 3.35Å; E867-V871 PolarHBondContact O-N 2.67Å; E867-L896 HydrophobicContact CB-CD1 4.38Å; E867-L896 HydrophobicContact CG-CD1 4.08Å; E867-Y900 HydrophobicContact CG-CE1 4.03Å; E867-Y900 WeakPolarHBondContact OE2-CE1 3.4Å; E867-R903 IonicContact OE2-CZ 2.85Å; E867-R903 IonicContact OE2-NH1 3.58Å; E867-R903 PolarHBondContact OE2-NH1 3.4Å |
| 868 | R | 93.8 | Very high | 89.5 | Confident | 150 Ų | 150 | 52 Ų | 52 | 57% | 0.566 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | -179 | -72.4 | 176.6 | 178.9 | -171.9 | 0.4 | 112.6 | L864 L865 A866 R872 | L864-R868 WeakPolarHBondContact O-CG 3.3Å; L864-R868 PolarHBondContact O-N 3.42Å; L865-R868 PolarHBondContact O-N 3.46Å; A866-R868 VanDerWaalsContact C-N 3.31Å; A866-R868 PolarHBondContact O-N 2.83Å; R868-R872 VanDerWaalsContact O-CG 3.3Å; R868-R872 WeakPolarHBondContact O-CG 3.13Å; R868-R872 PolarHBondContact O-N 2.92Å |
| 869 | F | 94.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 23% | 0.232 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 178.8 | -71.8 | -54.3 | 0 | 0 | 0 | 111.5 | L850 L853 L865 A866 E867 R872 S873 | L850-F869 HydrophobicContact CD2-CD1 3.88Å; L850-F869 WeakPolarHBondContact O-CB 3.48Å; L853-F869 HydrophobicContact CB-CB 4.32Å; L853-F869 HydrophobicContact CB-CD1 4.09Å; L853-F869 HydrophobicContact CB-CD2 3.93Å; L853-F869 HydrophobicContact CB-CE1 4.36Å; L853-F869 HydrophobicContact CB-CE2 4.21Å; L853-F869 HydrophobicContact CB-CG 3.88Å; L853-F869 HydrophobicContact CB-CZ 4.42Å; L853-F869 HydrophobicContact CD1-CD1 4.24Å; L853-F869 HydrophobicContact CD1-CE1 4.01Å; L853-F869 HydrophobicContact CD1-CZ 4.4Å; L865-F869 HydrophobicContact CB-CE2 4.34Å; L865-F869 WeakPolarHBondContact O-CD2 3.29Å; L865-F869 PolarHBondContact O-N 2.98Å; A866-F869 PolarHBondContact O-N 2.7Å; E867-F869 PolarHBondContact O-N 3.31Å; F869-R872 PolarHBondContact O-N 3.47Å; F869-S873 PolarHBondContact O-N 3.04Å |
| 870 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | -179.9 | -65.8 | 168.4 | 0 | 0 | 0 | 112.2 | L858 A866 E867 R872 S873 L874 V892 W895 L896 | L858-L870 HydrophobicContact CD1-CD1 4.25Å; A866-L870 HydrophobicContact CB-CD1 4.41Å; A866-L870 WeakPolarHBondContact O-CB 3.48Å; A866-L870 WeakPolarHBondContact O-CG 3.5Å; A866-L870 PolarHBondContact O-N 2.62Å; E867-L870 PolarHBondContact O-N 2.9Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 3.47Å; L870-S873 WeakPolarHBondContact O-CB 3.46Å; L870-S873 PolarHBondContact O-N 2.95Å; L870-L874 WeakPolarHBondContact O-CG 3.35Å; L870-L874 PolarHBondContact O-N 2.61Å; L870-V892 HydrophobicContact CB-CG1 4.21Å; L870-V892 HydrophobicContact CD2-CG1 3.91Å; L870-W895 HydrophobicContact CD1-CB 3.95Å; L870-W895 HydrophobicContact CD2-CB 3.94Å; L870-W895 HydrophobicContact CD2-CE3 3.89Å; L870-L896 HydrophobicContact CB-CB 4.35Å; L870-L896 HydrophobicContact CB-CD1 4.13Å; L870-L896 HydrophobicContact CD1-CB 4.3Å; L870-L896 HydrophobicContact CD1-CD1 4.44Å |
| 871 | V | 93.3 | Very high | 87.4 | Confident | 60 Ų | 60 | 61 Ų | 61 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | E867 S873 L874 C875 L896 | E867-V871 HydrophobicContact CG-CG2 4.3Å; E867-V871 WeakPolarHBondContact O-CB 3.43Å; E867-V871 VanDerWaalsContact O-CG2 3.24Å; E867-V871 WeakPolarHBondContact O-CG2 3.35Å; E867-V871 PolarHBondContact O-N 2.67Å; V871-S873 VanDerWaalsContact C-N 3.34Å; V871-L874 PolarHBondContact O-N 3.04Å; V871-C875 PolarHBondContact O-N 3.49Å; V871-C875 PolarHBondContact O-SG 3.03Å; V871-C875 VanDerWaalsContact O-SG 3.33Å; V871-L896 HydrophobicContact CG2-CD1 4.09Å; V871-L896 HydrophobicContact CG2-CD2 4.09Å |
| 872 | R | 93.1 | Very high | 85.8 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 175.5 | -73.7 | 176.4 | 179.1 | -176.2 | -0.6 | 112.3 | L850 R868 F869 L870 C875 L876 | L850-R872 HydrophobicContact CD1-CB 3.96Å; R868-R872 VanDerWaalsContact O-CG 3.3Å; R868-R872 WeakPolarHBondContact O-CG 3.13Å; R868-R872 PolarHBondContact O-N 2.92Å; F869-R872 PolarHBondContact O-N 3.47Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 3.47Å; R872-C875 PolarHBondContact O-N 3.23Å; R872-L876 PolarHBondContact O-N 3.1Å |
| 873 | S | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | A847 A851 F869 L870 V871 C875 L876 F877 | A847-S873 WeakPolarHBondContact O-CB 3.44Å; A847-S873 PolarHBondContact O-OG 3.03Å; A851-S873 WeakPolarHBondContact CB-OG 3.44Å; F869-S873 PolarHBondContact O-N 3.04Å; L870-S873 WeakPolarHBondContact O-CB 3.46Å; L870-S873 PolarHBondContact O-N 2.95Å; V871-S873 VanDerWaalsContact C-N 3.34Å; S873-C875 VanDerWaalsContact C-N 3.33Å; S873-C875 PolarHBondContact O-N 3.4Å; S873-L876 PolarHBondContact O-N 3.41Å; S873-F877 WeakPolarHBondContact O-CB 3.27Å; S873-F877 WeakPolarHBondContact O-CD2 3.49Å; S873-F877 PolarHBondContact O-N 3.43Å; S873-F877 WeakPolarHBondContact OG-CD2 3.42Å; S873-F877 WeakPolarHBondContact OG-CE2 3.4Å |
| 874 | L | 90.3 | Very high | 82.5 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 176.6 | -71.5 | 174.5 | 0 | 0 | 0 | 113.1 | L870 V871 L876 F877 L878 V892 Y893 L896 | L870-L874 WeakPolarHBondContact O-CG 3.35Å; L870-L874 PolarHBondContact O-N 2.61Å; V871-L874 PolarHBondContact O-N 3.04Å; L874-L876 PolarHBondContact O-N 3.39Å; L874-F877 PolarHBondContact O-N 3Å; L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.2Å; L874-V892 HydrophobicContact CD1-CG1 4.33Å; L874-V892 HydrophobicContact CD2-CB 3.76Å; L874-V892 HydrophobicContact CD2-CG1 3.58Å; L874-V892 HydrophobicContact CG-CB 4.32Å; L874-V892 HydrophobicContact CG-CG1 3.56Å; L874-Y893 HydrophobicContact CD1-CD1 3.9Å; L874-Y893 HydrophobicContact CD1-CE1 3.68Å; L874-Y893 HydrophobicContact CD1-CE2 4.45Å; L874-Y893 HydrophobicContact CD1-CG 4.4Å; L874-Y893 HydrophobicContact CD2-CD1 4.35Å; L874-Y893 HydrophobicContact CD2-CD2 3.67Å; L874-Y893 HydrophobicContact CD2-CE1 4.27Å; L874-Y893 HydrophobicContact CD2-CE2 3.54Å; L874-Y893 HydrophobicContact CD2-CG 4.07Å; L874-L896 HydrophobicContact CD1-CD2 3.62Å |
| 875 | C | 89.4 | Confident | 81.2 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.1 | -68 | 0 | 0 | 0 | 0 | 112.1 | V871 R872 S873 F877 L878 D879 | V871-C875 PolarHBondContact O-N 3.49Å; V871-C875 PolarHBondContact O-SG 3.03Å; V871-C875 VanDerWaalsContact O-SG 3.33Å; R872-C875 PolarHBondContact O-N 3.23Å; S873-C875 VanDerWaalsContact C-N 3.33Å; S873-C875 PolarHBondContact O-N 3.4Å; C875-F877 VanDerWaalsContact C-N 3.34Å; C875-L878 PolarHBondContact O-N 3.26Å; C875-D879 PolarHBondContact O-N 3.06Å |
| 876 | L | 88.1 | Confident | 80.2 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 177.8 | -66.8 | 176.3 | 0 | 0 | 0 | 112 | Q846 A847 L850 R872 S873 L874 D879 L880 | Q846-L876 HydrophobicContact CB-CD1 3.99Å; Q846-L876 HydrophobicContact CG-CD1 3.69Å; A847-L876 HydrophobicContact CB-CB 3.86Å; A847-L876 HydrophobicContact CB-CD1 4.27Å; L850-L876 HydrophobicContact CD1-CD1 3.68Å; R872-L876 PolarHBondContact O-N 3.1Å; S873-L876 PolarHBondContact O-N 3.41Å; L874-L876 PolarHBondContact O-N 3.39Å; L876-D879 PolarHBondContact O-N 3.18Å; L876-L880 WeakPolarHBondContact O-CG 3.44Å |
| 877 | F | 85.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.6 | -93.6 | -41.3 | 0 | 0 | 0 | 111.6 | A847 L848 S873 L874 C875 D879 L880 E888 H889 V892 | A847-F877 HydrophobicContact CB-CD1 4.02Å; A847-F877 HydrophobicContact CB-CD2 3.82Å; A847-F877 HydrophobicContact CB-CE1 3.9Å; A847-F877 HydrophobicContact CB-CE2 3.68Å; A847-F877 HydrophobicContact CB-CG 3.98Å; A847-F877 HydrophobicContact CB-CZ 3.73Å; L848-F877 HydrophobicContact CD2-CZ 4.01Å; L848-F877 HydrophobicContact CG-CZ 4.42Å; S873-F877 WeakPolarHBondContact O-CB 3.27Å; S873-F877 WeakPolarHBondContact O-CD2 3.49Å; S873-F877 PolarHBondContact O-N 3.43Å; S873-F877 WeakPolarHBondContact OG-CD2 3.42Å; S873-F877 WeakPolarHBondContact OG-CE2 3.4Å; L874-F877 PolarHBondContact O-N 3Å; C875-F877 VanDerWaalsContact C-N 3.34Å; F877-D879 PolarHBondContact O-N 3.1Å; F877-D879 VanDerWaalsContact O-N 3.17Å; F877-L880 HydrophobicContact CD1-CD1 4.28Å; F877-L880 WeakPolarHBondContact O-CB 3.48Å; F877-L880 PolarHBondContact O-N 3.47Å; F877-E888 HydrophobicContact CE1-CB 4.01Å; F877-E888 HydrophobicContact CE2-CB 4.38Å; F877-E888 HydrophobicContact CZ-CB 3.66Å; F877-H889 WeakPolarHBondContact CA-NE2 3.33Å; F877-H889 VanDerWaalsContact CB-CD2 3.43Å; F877-H889 WeakPolarHBondContact CB-CD2 3.43Å; F877-H889 WeakPolarHBondContact CB-NE2 3.39Å; F877-H889 AromaticContact CD1-CE1 3.3Å; F877-H889 WeakPolarHBondContact CD1-CE1 3.47Å; F877-H889 AromaticContact CD1-ND1 3.55Å; F877-H889 AromaticContact CD1-NE2 3.77Å; F877-H889 AromaticContact CG-CD2 3.98Å; F877-H889 AromaticContact CG-CE1 3.77Å; F877-H889 AromaticContact CG-ND1 3.93Å; F877-H889 AromaticContact CG-NE2 3.79Å; F877-H889 PolarHBondContact O-NE2 2.77Å; F877-V892 HydrophobicContact CD2-CG2 4.07Å; F877-V892 HydrophobicContact CE2-CG2 3.7Å |
| 878 | L | 80.2 | Confident | 78.7 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.8 | -30.5 | 174.7 | -74.4 | 167.7 | 0 | 0 | 0 | 113.7 | L874 C875 L880 | L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.2Å; C875-L878 PolarHBondContact O-N 3.26Å; L878-L880 VanDerWaalsContact C-N 3.27Å; L878-L880 PolarHBondContact O-N 3.38Å |
| 879 | D | 79.4 | Confident | 78.2 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.6 | 177.2 | -63.9 | -27.5 | 0 | 0 | 0 | 112.7 | C875 L876 F877 | C875-D879 PolarHBondContact O-N 3.06Å; L876-D879 PolarHBondContact O-N 3.18Å; F877-D879 PolarHBondContact O-N 3.1Å; F877-D879 VanDerWaalsContact O-N 3.17Å |
| 880 | L | 75.4 | Confident | 77.7 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 20 | -174 | -70.1 | 169.8 | 0 | 0 | 0 | 114.7 | Q843 R844 L876 F877 L878 E882 S883 | Q843-L880 HydrophobicContact CB-CD1 4.18Å; Q843-L880 HydrophobicContact CB-CD2 3.91Å; Q843-L880 HydrophobicContact CB-CG 4.33Å; R844-L880 HydrophobicContact CB-CD1 4.13Å; L876-L880 WeakPolarHBondContact O-CG 3.44Å; F877-L880 HydrophobicContact CD1-CD1 4.28Å; F877-L880 WeakPolarHBondContact O-CB 3.48Å; F877-L880 PolarHBondContact O-N 3.47Å; L878-L880 VanDerWaalsContact C-N 3.27Å; L878-L880 PolarHBondContact O-N 3.38Å; L880-E882 PolarHBondContact O-N 3.39Å; L880-S883 PolarHBondContact O-N 3.12Å |
| 881 | W | 59 | Low | 77.3 | Confident | 195 Ų | 195 | 58.5 Ų | 58.5 | 74% | 0.739 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -9.4 | -170.6 | -102.5 | 10.6 | 0 | 0 | 0 | 117.8 | ||
| 882 | E | 52.9 | Low | 77.2 | Confident | 206 Ų | 206 | 55.7 Ų | 55.7 | 96% | 0.963 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.3 | -178.6 | -62.9 | -175.4 | 165.7 | 0 | 0 | 114.6 | L880 | L880-E882 PolarHBondContact O-N 3.39Š|
| 883 | S | 51.5 | Low | 77 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -121.6 | 149.3 | -171.7 | 178.9 | 0 | 0 | 0 | 0 | 113.7 | L880 T885 | L880-S883 PolarHBondContact O-N 3.12Å; S883-T885 PolarHBondContact O-N 3.24Å; S883-T885 PolarHBondContact O-OG1 3.31Å |
| 884 | P | 55.7 | Low | 76.8 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -71.5 | 60 | -176.1 | 33.2 | -39.8 | 0 | 0 | 0 | 113.5 | ||
| 885 | T | 63 | Low | 76.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | trans | -109.1 | 7.4 | -178.5 | 50.4 | 0 | 0 | 0 | 0 | 112 | R844 S883 E887 E888 H889 | R844-T885 HydrophobicContact CG-CG2 4.09Å; S883-T885 PolarHBondContact O-N 3.24Å; S883-T885 PolarHBondContact O-OG1 3.31Å; T885-E887 PolarHBondContact O-N 2.75Å; T885-E887 VanDerWaalsContact O-N 3.13Å; T885-E888 WeakPolarHBondContact O-CB 3.41Å; T885-E888 PolarHBondContact O-N 2.79Å; T885-H889 VanDerWaalsContact C-ND1 3.31Å; T885-H889 PolarHBondContact O-N 3.18Å; T885-H889 VanDerWaalsContact O-N 3.11Å; T885-H889 PolarHBondContact O-ND1 2.7Å; T885-H889 PolarHBondContact OG1-CE1 3.34Å; T885-H889 PolarHBondContact OG1-ND1 3.01Å | ||
| 886 | D | 70.4 | Confident | 76.9 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -31.1 | -173.7 | -62.5 | -38.3 | 0 | 0 | 0 | 114 | H889 V890 I919 A923 | D886-H889 WeakPolarHBondContact O-CB 3.36Å; D886-V890 WeakPolarHBondContact O-CG2 3.25Å; D886-V890 PolarHBondContact O-N 3.47Å; D886-I919 HydrophobicContact CB-CG2 4.14Å; D886-A923 HydrophobicContact CB-CB 3.44Å; D886-A923 VanDerWaalsContact CB-CB 3.44Å; D886-A923 VanDerWaalsContact CG-CB 3.5Å; D886-A923 WeakPolarHBondContact OD2-CB 3.32Å |
| 887 | E | 72.2 | Confident | 76.9 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 174.9 | -69.6 | -175.9 | -171.7 | 0 | 0 | 112.4 | R340 I352 T885 V890 Q891 N925 | R340-E887 IonicContact CZ-OE2 3.09Å; R340-E887 IonicContact NH1-OE2 3.02Å; R340-E887 PolarHBondContact NH1-OE2 3.5Å; R340-E887 IonicContact NH2-OE2 2.63Å; I352-E887 HydrophobicContact CG2-CG 4.38Å; T885-E887 PolarHBondContact O-N 2.75Å; T885-E887 VanDerWaalsContact O-N 3.13Å; E887-V890 PolarHBondContact O-N 3.34Å; E887-Q891 WeakPolarHBondContact O-CB 3.47Å; E887-Q891 PolarHBondContact O-N 3.26Å; E887-N925 VanDerWaalsContact CD-ND2 3.34Å; E887-N925 WeakPolarHBondContact CG-ND2 3.37Å; E887-N925 PolarHBondContact OE1-ND2 2.85Å |
| 888 | E | 79.1 | Confident | 76.9 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 178.7 | -60.2 | 170.3 | 170 | 0 | 0 | 109.3 | L341 R844 L848 F877 T885 V890 Q891 V892 | L341-E888 HydrophobicContact CD1-CB 4.08Å; R844-E888 IonicContact CZ-OE1 2.83Å; R844-E888 IonicContact CZ-OE2 3.19Å; R844-E888 IonicContact NE-OE1 2.65Å; R844-E888 IonicContact NE-OE2 3.26Å; R844-E888 PolarHBondContact NE-OE2 2.75Å; R844-E888 IonicContact NH2-OE1 3.2Å; R844-E888 PolarHBondContact NH2-OE1 3.44Å; R844-E888 IonicContact NH2-OE2 3.72Å; L848-E888 HydrophobicContact CD2-CB 4.41Å; L848-E888 HydrophobicContact CD2-CG 4.17Å; F877-E888 HydrophobicContact CE1-CB 4.01Å; F877-E888 HydrophobicContact CE2-CB 4.38Å; F877-E888 HydrophobicContact CZ-CB 3.66Å; T885-E888 WeakPolarHBondContact O-CB 3.41Å; T885-E888 PolarHBondContact O-N 2.79Å; E888-V890 PolarHBondContact O-N 3.19Å; E888-Q891 WeakPolarHBondContact O-CB 3.13Å; E888-Q891 PolarHBondContact O-N 3.02Å; E888-Q891 VanDerWaalsContact O-N 3.16Å; E888-V892 WeakPolarHBondContact O-CG2 3.18Å; E888-V892 PolarHBondContact O-N 3.04Å |
| 889 | H | 83.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | 173.3 | -73.5 | 75.9 | 0 | 0 | 0 | 112.5 | F877 T885 D886 Q891 V892 Y893 I919 | F877-H889 WeakPolarHBondContact CA-NE2 3.33Å; F877-H889 VanDerWaalsContact CB-CD2 3.43Å; F877-H889 WeakPolarHBondContact CB-CD2 3.43Å; F877-H889 WeakPolarHBondContact CB-NE2 3.39Å; F877-H889 AromaticContact CD1-CE1 3.3Å; F877-H889 WeakPolarHBondContact CD1-CE1 3.47Å; F877-H889 AromaticContact CD1-ND1 3.55Å; F877-H889 AromaticContact CD1-NE2 3.77Å; F877-H889 AromaticContact CG-CD2 3.98Å; F877-H889 AromaticContact CG-CE1 3.77Å; F877-H889 AromaticContact CG-ND1 3.93Å; F877-H889 AromaticContact CG-NE2 3.79Å; F877-H889 PolarHBondContact O-NE2 2.77Å; T885-H889 VanDerWaalsContact C-ND1 3.31Å; T885-H889 PolarHBondContact O-N 3.18Å; T885-H889 VanDerWaalsContact O-N 3.11Å; T885-H889 PolarHBondContact O-ND1 2.7Å; T885-H889 PolarHBondContact OG1-CE1 3.34Å; T885-H889 PolarHBondContact OG1-ND1 3.01Å; D886-H889 WeakPolarHBondContact O-CB 3.36Å; H889-Q891 VanDerWaalsContact C-N 3.27Å; H889-Q891 PolarHBondContact O-N 2.81Å; H889-V892 PolarHBondContact O-N 3.42Å; H889-Y893 WeakPolarHBondContact O-CD2 3.45Å; H889-Y893 PolarHBondContact O-N 3.17Å; H889-Y893 VanDerWaalsContact O-N 3.15Å; H889-I919 HydrophobicContact CB-CD1 4.21Å; H889-I919 HydrophobicContact CB-CG2 4.09Å |
| 890 | V | 85.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 110 | I352 D886 E887 E888 V892 Y893 L894 G916 I919 A920 V932 | I352-V890 HydrophobicContact CD1-CG1 4.18Å; D886-V890 WeakPolarHBondContact O-CG2 3.25Å; D886-V890 PolarHBondContact O-N 3.47Å; E887-V890 PolarHBondContact O-N 3.34Å; E888-V890 PolarHBondContact O-N 3.19Å; V890-V892 PolarHBondContact O-N 3.01Å; V890-Y893 PolarHBondContact O-N 3.12Å; V890-L894 HydrophobicContact CG1-CD1 4.43Å; V890-L894 WeakPolarHBondContact O-CG 3.44Å; V890-L894 PolarHBondContact O-N 3.4Å; V890-G916 WeakPolarHBondContact CG2-O 3.32Å; V890-I919 HydrophobicContact CG2-CB 4.13Å; V890-I919 HydrophobicContact CG2-CG2 3.88Å; V890-A920 HydrophobicContact CG2-CB 4.1Å; V890-V932 HydrophobicContact CG1-CG2 3.43Å; V890-V932 VanDerWaalsContact CG1-CG2 3.43Å |
| 891 | Q | 85.3 | Confident | 78.3 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | -179.7 | -169.9 | 61 | 58.6 | 0 | 0 | 112.6 | L341 E887 E888 H889 L894 W895 | L341-Q891 HydrophobicContact CB-CG 4.42Å; L341-Q891 HydrophobicContact CD1-CB 4.1Å; L341-Q891 HydrophobicContact CD1-CG 4.24Å; E887-Q891 WeakPolarHBondContact O-CB 3.47Å; E887-Q891 PolarHBondContact O-N 3.26Å; E888-Q891 WeakPolarHBondContact O-CB 3.13Å; E888-Q891 PolarHBondContact O-N 3.02Å; E888-Q891 VanDerWaalsContact O-N 3.16Å; H889-Q891 VanDerWaalsContact C-N 3.27Å; H889-Q891 PolarHBondContact O-N 2.81Å; Q891-L894 WeakPolarHBondContact O-CB 3.49Å; Q891-L894 PolarHBondContact O-N 3.01Å; Q891-W895 HydrophobicContact CG-CD2 4.33Å; Q891-W895 HydrophobicContact CG-CZ2 4.06Å; Q891-W895 PolarHBondContact O-N 2.96Å |
| 892 | V | 89.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 176.2 | -178 | 0 | 0 | 0 | 0 | 111.4 | L341 A851 L870 L874 F877 E888 H889 V890 L894 W895 L896 | L341-V892 HydrophobicContact CD1-CG2 3.65Å; A851-V892 HydrophobicContact CB-CG2 3.65Å; L870-V892 HydrophobicContact CB-CG1 4.21Å; L870-V892 HydrophobicContact CD2-CG1 3.91Å; L874-V892 HydrophobicContact CD1-CG1 4.33Å; L874-V892 HydrophobicContact CD2-CB 3.76Å; L874-V892 HydrophobicContact CD2-CG1 3.58Å; L874-V892 HydrophobicContact CG-CB 4.32Å; L874-V892 HydrophobicContact CG-CG1 3.56Å; F877-V892 HydrophobicContact CD2-CG2 4.07Å; F877-V892 HydrophobicContact CE2-CG2 3.7Å; E888-V892 WeakPolarHBondContact O-CG2 3.18Å; E888-V892 PolarHBondContact O-N 3.04Å; H889-V892 PolarHBondContact O-N 3.42Å; V890-V892 PolarHBondContact O-N 3.01Å; V892-L894 VanDerWaalsContact C-N 3.31Å; V892-L894 PolarHBondContact O-N 3.2Å; V892-W895 PolarHBondContact O-N 2.79Å; V892-L896 WeakPolarHBondContact O-CB 3.4Å; V892-L896 PolarHBondContact O-N 3.12Å |
| 893 | Y | 90.7 | Very high | 81 | Confident | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 172.6 | -85.4 | -67.9 | 0 | 0 | 0 | 112.6 | L874 H889 V890 L896 G897 C912 M915 I919 | L874-Y893 HydrophobicContact CD1-CD1 3.9Å; L874-Y893 HydrophobicContact CD1-CE1 3.68Å; L874-Y893 HydrophobicContact CD1-CE2 4.45Å; L874-Y893 HydrophobicContact CD1-CG 4.4Å; L874-Y893 HydrophobicContact CD2-CD1 4.35Å; L874-Y893 HydrophobicContact CD2-CD2 3.67Å; L874-Y893 HydrophobicContact CD2-CE1 4.27Å; L874-Y893 HydrophobicContact CD2-CE2 3.54Å; L874-Y893 HydrophobicContact CD2-CG 4.07Å; H889-Y893 WeakPolarHBondContact O-CD2 3.45Å; H889-Y893 PolarHBondContact O-N 3.17Å; H889-Y893 VanDerWaalsContact O-N 3.15Å; V890-Y893 PolarHBondContact O-N 3.12Å; Y893-L896 PolarHBondContact O-N 2.91Å; Y893-G897 PolarHBondContact O-N 3.48Å; Y893-C912 HydrophobicContact CD1-CB 4.24Å; Y893-M915 HydrophobicContact CD1-CB 4.08Å; Y893-M915 HydrophobicContact CE1-CB 3.71Å; Y893-M915 HydrophobicContact CE1-CG 4.38Å; Y893-M915 HydrophobicContact CE2-CB 4.33Å; Y893-I919 HydrophobicContact CD2-CD1 3.76Å; Y893-I919 HydrophobicContact CE2-CD1 3.35Å |
| 894 | L | 88.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.9 | -69.8 | 180 | 0 | 0 | 0 | 111.9 | V890 Q891 V892 G897 Q898 Y913 V931 V932 L935 | V890-L894 HydrophobicContact CG1-CD1 4.43Å; V890-L894 WeakPolarHBondContact O-CG 3.44Å; V890-L894 PolarHBondContact O-N 3.4Å; Q891-L894 WeakPolarHBondContact O-CB 3.49Å; Q891-L894 PolarHBondContact O-N 3.01Å; V892-L894 VanDerWaalsContact C-N 3.31Å; V892-L894 PolarHBondContact O-N 3.2Å; L894-G897 PolarHBondContact O-N 3.22Å; L894-Q898 PolarHBondContact O-N 3.47Å; L894-Y913 HydrophobicContact CD2-CD1 3.75Å; L894-Y913 HydrophobicContact CD2-CE1 3.77Å; L894-V931 HydrophobicContact CD1-CG1 4.24Å; L894-V932 HydrophobicContact CD1-CG2 4.47Å; L894-V932 HydrophobicContact CD2-CG2 4.06Å; L894-V932 HydrophobicContact CG-CG2 4.46Å; L894-L935 HydrophobicContact CD1-CD1 4.42Å; L894-L935 HydrophobicContact CD2-CD1 3.51Å |
| 895 | W | 88.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 176.5 | -67 | -18.2 | 0 | 0 | 0 | 113 | L341 D342 L344 A851 C855 L858 L870 Q891 V892 G897 Q898 S899 | L341-W895 HydrophobicContact CB-CH2 3.75Å; L341-W895 HydrophobicContact CB-CZ2 4.49Å; L341-W895 HydrophobicContact CB-CZ3 4.22Å; L341-W895 HydrophobicContact CD1-CH2 4.4Å; L341-W895 HydrophobicContact CD1-CZ3 4.06Å; L341-W895 HydrophobicContact CD2-CH2 4.26Å; L341-W895 HydrophobicContact CD2-CZ3 4.02Å; L341-W895 HydrophobicContact CG-CH2 4.35Å; L341-W895 HydrophobicContact CG-CZ3 4.32Å; D342-W895 WeakPolarHBondContact O-CZ2 3.16Å; L344-W895 VanDerWaalsContact CD1-CD1 3.41Å; L344-W895 HydrophobicContact CD1-CD2 4.15Å; L344-W895 HydrophobicContact CD1-CG 3.83Å; A851-W895 HydrophobicContact CB-CE3 4.43Å; A851-W895 HydrophobicContact CB-CZ3 4.03Å; C855-W895 HydrophobicContact CB-CD2 4.47Å; C855-W895 HydrophobicContact CB-CE3 4.09Å; C855-W895 HydrophobicContact CB-CH2 3.85Å; C855-W895 HydrophobicContact CB-CZ2 4.25Å; C855-W895 HydrophobicContact CB-CZ3 3.78Å; C855-W895 VanDerWaalsContact SG-CZ2 3.6Å; L858-W895 HydrophobicContact CD1-CB 4.15Å; L870-W895 HydrophobicContact CD1-CB 3.95Å; L870-W895 HydrophobicContact CD2-CB 3.94Å; L870-W895 HydrophobicContact CD2-CE3 3.89Å; Q891-W895 HydrophobicContact CG-CD2 4.33Å; Q891-W895 HydrophobicContact CG-CZ2 4.06Å; Q891-W895 PolarHBondContact O-N 2.96Å; V892-W895 PolarHBondContact O-N 2.79Å; W895-G897 VanDerWaalsContact C-N 3.31Å; W895-G897 PolarHBondContact O-N 3.34Å; W895-Q898 WeakPolarHBondContact O-CB 3.25Å; W895-Q898 PolarHBondContact O-N 2.78Å; W895-S899 PolarHBondContact O-N 3.27Å |
| 896 | L | 91.1 | Very high | 84.2 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 174.9 | -176 | 62.8 | 0 | 0 | 0 | 110.8 | E867 L870 V871 L874 V892 Y893 Q898 S899 Y900 | E867-L896 HydrophobicContact CB-CD1 4.38Å; E867-L896 HydrophobicContact CG-CD1 4.08Å; L870-L896 HydrophobicContact CB-CB 4.35Å; L870-L896 HydrophobicContact CB-CD1 4.13Å; L870-L896 HydrophobicContact CD1-CB 4.3Å; L870-L896 HydrophobicContact CD1-CD1 4.44Å; V871-L896 HydrophobicContact CG2-CD1 4.09Å; V871-L896 HydrophobicContact CG2-CD2 4.09Å; L874-L896 HydrophobicContact CD1-CD2 3.62Å; V892-L896 WeakPolarHBondContact O-CB 3.4Å; V892-L896 PolarHBondContact O-N 3.12Å; Y893-L896 PolarHBondContact O-N 2.91Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.12Å; L896-S899 WeakPolarHBondContact O-CB 3.36Å; L896-S899 PolarHBondContact O-N 3.15Å; L896-Y900 HydrophobicContact CD1-CD2 4.44Å; L896-Y900 HydrophobicContact CD1-CE2 3.79Å; L896-Y900 HydrophobicContact CD2-CE2 4.04Å; L896-Y900 HydrophobicContact CG-CD2 4.1Å; L896-Y900 HydrophobicContact CG-CE2 3.57Å; L896-Y900 VanDerWaalsContact O-CD2 3.27Å; L896-Y900 WeakPolarHBondContact O-CD2 3.44Å; L896-Y900 PolarHBondContact O-N 3.1Å |
| 897 | G | 89.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y893 L894 W895 Y900 K901 | Y893-G897 PolarHBondContact O-N 3.48Å; L894-G897 PolarHBondContact O-N 3.22Å; W895-G897 VanDerWaalsContact C-N 3.31Å; W895-G897 PolarHBondContact O-N 3.34Å; G897-Y900 PolarHBondContact O-N 3.22Å; G897-K901 PolarHBondContact O-N 3.32Å |
| 898 | Q | 85.6 | Confident | 85.4 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.4 | -175.9 | 61.2 | 25.6 | 0 | 0 | 111.7 | F349 L894 W895 L896 Y900 K901 D902 | F349-Q898 HydrophobicContact CZ-CB 4.29Å; F349-Q898 HydrophobicContact CZ-CG 4.45Å; L894-Q898 PolarHBondContact O-N 3.47Å; W895-Q898 WeakPolarHBondContact O-CB 3.25Å; W895-Q898 PolarHBondContact O-N 2.78Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.12Å; Q898-Y900 PolarHBondContact O-N 2.78Å; Q898-K901 WeakPolarHBondContact O-CA 3.41Å; Q898-K901 WeakPolarHBondContact O-CB 3.33Å; Q898-K901 PolarHBondContact O-N 3.06Å; Q898-D902 PolarHBondContact NE2-OD1 3.3Å; Q898-D902 PolarHBondContact NE2-OD2 3.29Å; Q898-D902 PolarHBondContact O-N 2.93Å |
| 899 | S | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.5 | -36.8 | 174.4 | -170 | 0 | 0 | 0 | 0 | 112.6 | N863 W895 L896 R903 | N863-S899 PolarHBondContact O-OG 3.16Å; N863-S899 VanDerWaalsContact O-OG 3.04Å; W895-S899 PolarHBondContact O-N 3.27Å; L896-S899 WeakPolarHBondContact O-CB 3.36Å; L896-S899 PolarHBondContact O-N 3.15Å; S899-R903 VanDerWaalsContact O-CG 3.29Å; S899-R903 WeakPolarHBondContact O-CG 3.18Å |
| 900 | Y | 89.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -78.7 | -32.4 | 176.2 | -68.8 | -43 | 0 | 0 | 0 | 113.3 | E867 L896 G897 Q898 R903 G904 K905 D908 C912 | E867-Y900 HydrophobicContact CG-CE1 4.03Å; E867-Y900 WeakPolarHBondContact OE2-CE1 3.4Å; L896-Y900 HydrophobicContact CD1-CD2 4.44Å; L896-Y900 HydrophobicContact CD1-CE2 3.79Å; L896-Y900 HydrophobicContact CD2-CE2 4.04Å; L896-Y900 HydrophobicContact CG-CD2 4.1Å; L896-Y900 HydrophobicContact CG-CE2 3.57Å; L896-Y900 VanDerWaalsContact O-CD2 3.27Å; L896-Y900 WeakPolarHBondContact O-CD2 3.44Å; L896-Y900 PolarHBondContact O-N 3.1Å; G897-Y900 PolarHBondContact O-N 3.22Å; Q898-Y900 PolarHBondContact O-N 2.78Å; Y900-R903 CarbonylContact O-C 3.58Å; Y900-R903 PolarHBondContact O-N 3.22Å; Y900-G904 PolarHBondContact O-N 3.19Å; Y900-G904 VanDerWaalsContact O-N 3.09Å; Y900-K905 HydrophobicContact CD1-CB 4.48Å; Y900-K905 HydrophobicContact CD1-CD 4.03Å; Y900-K905 HydrophobicContact CE1-CD 4.41Å; Y900-K905 PolarHBondContact O-N 3.07Å; Y900-D908 HydrophobicContact CD1-CB 4.02Å; Y900-D908 HydrophobicContact CD2-CB 3.42Å; Y900-D908 VanDerWaalsContact CD2-CB 3.42Å; Y900-D908 HydrophobicContact CE1-CB 4.21Å; Y900-D908 HydrophobicContact CE2-CB 3.63Å; Y900-D908 HydrophobicContact CG-CB 3.62Å; Y900-C912 VanDerWaalsContact CE2-SG 3.56Å |
| 901 | K | 84.8 | Confident | 86.4 | Confident | 94 Ų | 94 | 43.7 Ų | 43.7 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 173.4 | -172.7 | 178.1 | 177.6 | 178.9 | 0 | 111 | G897 Q898 R903 G904 I909 | G897-K901 PolarHBondContact O-N 3.32Å; Q898-K901 WeakPolarHBondContact O-CA 3.41Å; Q898-K901 WeakPolarHBondContact O-CB 3.33Å; Q898-K901 PolarHBondContact O-N 3.06Å; K901-R903 PolarHBondContact O-N 2.67Å; K901-R903 VanDerWaalsContact O-N 3.11Å; K901-G904 PolarHBondContact O-N 3.45Å; K901-I909 VanDerWaalsContact CA-CD1 3.46Å; K901-I909 HydrophobicContact CB-CD1 3.83Å; K901-I909 HydrophobicContact CB-CG1 4.36Å; K901-I909 HydrophobicContact CG-CD1 4.3Å |
| 902 | D | 82.4 | Confident | 86.7 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.6 | 179.2 | -61.6 | -24 | 0 | 0 | 0 | 112.8 | N863 Q898 | N863-D902 WeakPolarHBondContact ND2-CB 3.42Å; Q898-D902 PolarHBondContact NE2-OD1 3.3Å; Q898-D902 PolarHBondContact NE2-OD2 3.29Å; Q898-D902 PolarHBondContact O-N 2.93Å |
| 903 | R | 85.4 | Confident | 86.7 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.1 | 174.7 | -67.2 | -177.6 | 65.9 | 178.6 | 4.1 | 114.1 | N863 E867 S899 Y900 K901 K905 | N863-R903 HydrophobicContact CB-CG 3.9Å; E867-R903 IonicContact OE2-CZ 2.85Å; E867-R903 IonicContact OE2-NH1 3.58Å; E867-R903 PolarHBondContact OE2-NH1 3.4Å; S899-R903 VanDerWaalsContact O-CG 3.29Å; S899-R903 WeakPolarHBondContact O-CG 3.18Å; Y900-R903 CarbonylContact O-C 3.58Å; Y900-R903 PolarHBondContact O-N 3.22Å; K901-R903 PolarHBondContact O-N 2.67Å; K901-R903 VanDerWaalsContact O-N 3.11Å; R903-K905 HydrophobicContact CB-CG 4.32Å |
| 904 | G | 80.2 | Confident | 86.8 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 23.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y900 K901 S906 | Y900-G904 PolarHBondContact O-N 3.19Å; Y900-G904 VanDerWaalsContact O-N 3.09Å; K901-G904 PolarHBondContact O-N 3.45Å; G904-S906 PolarHBondContact O-N 2.71Å |
| 905 | K | 82.3 | Confident | 87 | Confident | 67 Ų | 67 | 50 Ų | 50 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | trans | -92.9 | 76.6 | -179.6 | -64.8 | -164.5 | -171.7 | 173.2 | 0 | 112.6 | Y900 R903 Q907 D908 I909 | Y900-K905 HydrophobicContact CD1-CB 4.48Å; Y900-K905 HydrophobicContact CD1-CD 4.03Å; Y900-K905 HydrophobicContact CE1-CD 4.41Å; Y900-K905 PolarHBondContact O-N 3.07Å; R903-K905 HydrophobicContact CB-CG 4.32Å; K905-Q907 VanDerWaalsContact C-N 3.29Å; K905-Q907 PolarHBondContact O-N 3.22Å; K905-Q907 VanDerWaalsContact O-N 3.13Å; K905-D908 HydrophobicContact CB-CB 4.33Å; K905-D908 WeakPolarHBondContact CD-OD2 3.2Å; K905-D908 IonicContact NZ-OD2 3.53Å; K905-D908 PolarHBondContact O-N 2.96Å; K905-I909 WeakPolarHBondContact O-CG1 3.17Å; K905-I909 PolarHBondContact O-N 3.42Å | ||
| 906 | S | 75.5 | Confident | 87 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -27.1 | -170.5 | -49.1 | 0 | 0 | 0 | 0 | 116.4 | G904 | G904-S906 PolarHBondContact O-N 2.71Å |
| 907 | Q | 81.2 | Confident | 86.9 | Confident | 159 Ų | 159 | 50.2 Ų | 50.2 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.2 | -40.6 | 177.9 | -69.4 | -177.5 | -6.3 | 0 | 0 | 112.2 | K905 R910 A911 | K905-Q907 VanDerWaalsContact C-N 3.29Å; K905-Q907 PolarHBondContact O-N 3.22Å; K905-Q907 VanDerWaalsContact O-N 3.13Å; Q907-R910 PolarHBondContact O-N 3.08Å; Q907-A911 PolarHBondContact O-N 2.91Å |
| 908 | D | 87.1 | Confident | 87 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.9 | -33.1 | -177.1 | -61.2 | -23.8 | 0 | 0 | 0 | 111.4 | Y900 K905 R910 A911 C912 | Y900-D908 HydrophobicContact CD1-CB 4.02Å; Y900-D908 HydrophobicContact CD2-CB 3.42Å; Y900-D908 VanDerWaalsContact CD2-CB 3.42Å; Y900-D908 HydrophobicContact CE1-CB 4.21Å; Y900-D908 HydrophobicContact CE2-CB 3.63Å; Y900-D908 HydrophobicContact CG-CB 3.62Å; K905-D908 HydrophobicContact CB-CB 4.33Å; K905-D908 WeakPolarHBondContact CD-OD2 3.2Å; K905-D908 IonicContact NZ-OD2 3.53Å; K905-D908 PolarHBondContact O-N 2.96Å; D908-R910 VanDerWaalsContact C-N 3.34Å; D908-R910 PolarHBondContact O-N 3.02Å; D908-A911 PolarHBondContact O-N 3.15Å; D908-C912 PolarHBondContact O-N 3.37Å; D908-C912 VanDerWaalsContact O-N 3.07Å; D908-C912 PolarHBondContact O-SG 3.12Å |
| 909 | I | 88.7 | Confident | 87 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.3 | -54.9 | 166.3 | 0 | 0 | 0 | 110.3 | K901 K905 C912 Y913 L939 | K901-I909 VanDerWaalsContact CA-CD1 3.46Å; K901-I909 HydrophobicContact CB-CD1 3.83Å; K901-I909 HydrophobicContact CB-CG1 4.36Å; K901-I909 HydrophobicContact CG-CD1 4.3Å; K905-I909 WeakPolarHBondContact O-CG1 3.17Å; K905-I909 PolarHBondContact O-N 3.42Å; I909-C912 PolarHBondContact O-N 3.05Å; I909-Y913 HydrophobicContact CG2-CD2 3.97Å; I909-Y913 HydrophobicContact CG2-CE2 3.59Å; I909-Y913 PolarHBondContact O-N 3.4Å; I909-L939 HydrophobicContact CB-CD2 4.23Å; I909-L939 HydrophobicContact CD1-CD1 4.36Å; I909-L939 HydrophobicContact CG2-CD1 3.99Å; I909-L939 HydrophobicContact CG2-CD2 3.73Å; I909-L939 HydrophobicContact CG2-CG 4.5Å |
| 910 | R | 88.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | -179.4 | -178.1 | -169.9 | -57 | 166.2 | 7.5 | 111 | Q907 D908 C912 Y913 E914 L939 Y940 | Q907-R910 PolarHBondContact O-N 3.08Å; D908-R910 VanDerWaalsContact C-N 3.34Å; D908-R910 PolarHBondContact O-N 3.02Å; R910-C912 VanDerWaalsContact C-N 3.26Å; R910-C912 PolarHBondContact O-N 3.03Å; R910-Y913 PolarHBondContact O-N 3.44Å; R910-E914 HydrophobicContact CG-CG 4.19Å; R910-E914 WeakPolarHBondContact CG-OE1 3.39Å; R910-E914 WeakPolarHBondContact O-CB 2.88Å; R910-E914 WeakPolarHBondContact O-CG 3.27Å; R910-E914 PolarHBondContact O-N 3.22Å; R910-L939 HydrophobicContact CB-CD2 4.32Å; R910-Y940 VanDerWaalsContact CD-OH 3.23Å; R910-Y940 WeakPolarHBondContact CD-OH 3.3Å; R910-Y940 WeakPolarHBondContact CG-OH 3.44Å |
| 911 | A | 90.5 | Very high | 86.5 | Confident | 50 Ų | 50 | 57 Ų | 57 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q907 D908 M915 | Q907-A911 PolarHBondContact O-N 2.91Å; D908-A911 PolarHBondContact O-N 3.15Å; A911-M915 WeakPolarHBondContact O-CB 3.16Å; A911-M915 WeakPolarHBondContact O-CG 3.44Å; A911-M915 PolarHBondContact O-N 3.19Å |
| 912 | C | 91.1 | Very high | 86.3 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 178.1 | -66 | 0 | 0 | 0 | 0 | 112.3 | Y893 Y900 D908 I909 R910 M915 G916 | Y893-C912 HydrophobicContact CD1-CB 4.24Å; Y900-C912 VanDerWaalsContact CE2-SG 3.56Å; D908-C912 PolarHBondContact O-N 3.37Å; D908-C912 VanDerWaalsContact O-N 3.07Å; D908-C912 PolarHBondContact O-SG 3.12Å; I909-C912 PolarHBondContact O-N 3.05Å; R910-C912 VanDerWaalsContact C-N 3.26Å; R910-C912 PolarHBondContact O-N 3.03Å; C912-M915 PolarHBondContact O-N 3.02Å; C912-G916 PolarHBondContact O-N 3.4Å |
| 913 | Y | 91.1 | Very high | 85.9 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.1 | -37 | -178.4 | -65.8 | -12.4 | 0 | 0 | 0 | 112.7 | L894 I909 R910 G916 L917 V932 L935 L936 L939 | L894-Y913 HydrophobicContact CD2-CD1 3.75Å; L894-Y913 HydrophobicContact CD2-CE1 3.77Å; I909-Y913 HydrophobicContact CG2-CD2 3.97Å; I909-Y913 HydrophobicContact CG2-CE2 3.59Å; I909-Y913 PolarHBondContact O-N 3.4Å; R910-Y913 PolarHBondContact O-N 3.44Å; Y913-G916 PolarHBondContact O-N 2.91Å; Y913-L917 PolarHBondContact O-N 3.48Å; Y913-V932 WeakPolarHBondContact O-CG1 3.43Å; Y913-L935 HydrophobicContact CD2-CB 4.18Å; Y913-L935 HydrophobicContact CE2-CB 4Å; Y913-L936 HydrophobicContact CD2-CD2 4.31Å; Y913-L936 HydrophobicContact CG-CD2 4.39Å; Y913-L939 HydrophobicContact CD2-CD2 4.21Å |
| 914 | E | 91.9 | Very high | 85.4 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.2 | -75.1 | 176.7 | 170.1 | 0 | 0 | 111.6 | R910 L917 L918 L936 Y940 | R910-E914 HydrophobicContact CG-CG 4.19Å; R910-E914 WeakPolarHBondContact CG-OE1 3.39Å; R910-E914 WeakPolarHBondContact O-CB 2.88Å; R910-E914 WeakPolarHBondContact O-CG 3.27Å; R910-E914 PolarHBondContact O-N 3.22Å; E914-L917 PolarHBondContact O-N 2.53Å; E914-L918 PolarHBondContact O-N 2.63Å; E914-L936 HydrophobicContact CG-CD1 4.5Å; E914-L936 HydrophobicContact CG-CD2 4.07Å; E914-Y940 PolarHBondContact OE1-OH 3.02Å |
| 915 | M | 91.3 | Very high | 85.2 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 39% | 0.389 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.4 | -70.6 | -57.1 | -60.9 | 0 | 0 | 112 | Y893 A911 C912 L917 L918 I919 | Y893-M915 HydrophobicContact CD1-CB 4.08Å; Y893-M915 HydrophobicContact CE1-CB 3.71Å; Y893-M915 HydrophobicContact CE1-CG 4.38Å; Y893-M915 HydrophobicContact CE2-CB 4.33Å; A911-M915 WeakPolarHBondContact O-CB 3.16Å; A911-M915 WeakPolarHBondContact O-CG 3.44Å; A911-M915 PolarHBondContact O-N 3.19Å; C912-M915 PolarHBondContact O-N 3.02Å; M915-L917 VanDerWaalsContact C-N 3.3Å; M915-L917 PolarHBondContact O-N 3.3Å; M915-L918 PolarHBondContact O-N 3.43Å; M915-I919 WeakPolarHBondContact O-CG1 3.49Å; M915-I919 PolarHBondContact O-N 3.46Å |
| 916 | G | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V890 C912 Y913 I919 A920 | V890-G916 WeakPolarHBondContact CG2-O 3.32Å; C912-G916 PolarHBondContact O-N 3.4Å; Y913-G916 PolarHBondContact O-N 2.91Å; G916-I919 PolarHBondContact O-N 2.82Å; G916-A920 WeakPolarHBondContact O-CB 3.47Å; G916-A920 PolarHBondContact O-N 3.1Å |
| 917 | L | 90.8 | Very high | 84.9 | Confident | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 177.3 | -177.3 | 62.7 | 0 | 0 | 0 | 111.7 | Y913 E914 M915 I919 A920 L921 Q929 V932 A933 L936 Y952 | Y913-L917 PolarHBondContact O-N 3.48Å; E914-L917 PolarHBondContact O-N 2.53Å; M915-L917 VanDerWaalsContact C-N 3.3Å; M915-L917 PolarHBondContact O-N 3.3Å; L917-I919 VanDerWaalsContact C-N 3.33Å; L917-I919 PolarHBondContact O-N 3.49Å; L917-A920 PolarHBondContact O-N 2.95Å; L917-L921 HydrophobicContact CD1-CG 4.45Å; L917-L921 HydrophobicContact CG-CD1 4.05Å; L917-L921 HydrophobicContact CG-CG 4.42Å; L917-L921 WeakPolarHBondContact O-CB 3.25Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.4Å; L917-L921 PolarHBondContact O-N 3.31Å; L917-Q929 HydrophobicContact CD1-CB 4.09Å; L917-Q929 HydrophobicContact CD1-CG 4.28Å; L917-V932 HydrophobicContact CB-CB 4.36Å; L917-V932 HydrophobicContact CB-CG1 3.81Å; L917-V932 HydrophobicContact CD1-CB 4.48Å; L917-A933 HydrophobicContact CD1-CB 4.34Å; L917-L936 HydrophobicContact CB-CD1 4.19Å; L917-L936 HydrophobicContact CD2-CD1 3.92Å; L917-Y952 HydrophobicContact CD2-CD1 3.95Å; L917-Y952 HydrophobicContact CD2-CE1 3.57Å |
| 918 | L | 90.6 | Very high | 84.9 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.5 | -176 | 143.5 | 0 | 0 | 0 | 111.7 | E914 M915 L921 H922 | E914-L918 PolarHBondContact O-N 2.63Å; M915-L918 PolarHBondContact O-N 3.43Å; L918-L921 PolarHBondContact O-N 3.38Å; L918-H922 PolarHBondContact O-N 2.67Å |
| 919 | I | 85.2 | Confident | 84.8 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 174.8 | -65.8 | 168.9 | 0 | 0 | 0 | 110.2 | D886 H889 V890 Y893 M915 G916 L917 L921 H922 A923 | D886-I919 HydrophobicContact CB-CG2 4.14Å; H889-I919 HydrophobicContact CB-CD1 4.21Å; H889-I919 HydrophobicContact CB-CG2 4.09Å; V890-I919 HydrophobicContact CG2-CB 4.13Å; V890-I919 HydrophobicContact CG2-CG2 3.88Å; Y893-I919 HydrophobicContact CD2-CD1 3.76Å; Y893-I919 HydrophobicContact CE2-CD1 3.35Å; M915-I919 WeakPolarHBondContact O-CG1 3.49Å; M915-I919 PolarHBondContact O-N 3.46Å; G916-I919 PolarHBondContact O-N 2.82Å; L917-I919 VanDerWaalsContact C-N 3.33Å; L917-I919 PolarHBondContact O-N 3.49Å; I919-L921 VanDerWaalsContact C-N 3.26Å; I919-L921 PolarHBondContact O-N 2.76Å; I919-H922 PolarHBondContact O-N 2.65Å; I919-H922 VanDerWaalsContact O-N 3.16Å; I919-A923 VanDerWaalsContact O-CB 3.3Å; I919-A923 WeakPolarHBondContact O-CB 3.3Å; I919-A923 PolarHBondContact O-N 3.03Å |
| 920 | A | 83.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V890 G916 L917 R924 N925 Q929 | V890-A920 HydrophobicContact CG2-CB 4.1Å; G916-A920 WeakPolarHBondContact O-CB 3.47Å; G916-A920 PolarHBondContact O-N 3.1Å; L917-A920 PolarHBondContact O-N 2.95Å; A920-R924 PolarHBondContact O-N 3.23Å; A920-N925 PolarHBondContact O-N 3.19Å; A920-Q929 HydrophobicContact CB-CB 4.41Å; A920-Q929 HydrophobicContact CB-CG 3.64Å; A920-Q929 PolarHBondContact O-NE2 3.33Å |
| 921 | L | 84.7 | Confident | 84.4 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 42% | 0.424 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.4 | -44.3 | 174.1 | -75.6 | 166.4 | 0 | 0 | 0 | 111.7 | L917 L918 I919 R924 Q929 | L917-L921 HydrophobicContact CD1-CG 4.45Å; L917-L921 HydrophobicContact CG-CD1 4.05Å; L917-L921 HydrophobicContact CG-CG 4.42Å; L917-L921 WeakPolarHBondContact O-CB 3.25Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.4Å; L917-L921 PolarHBondContact O-N 3.31Å; L918-L921 PolarHBondContact O-N 3.38Å; I919-L921 VanDerWaalsContact C-N 3.26Å; I919-L921 PolarHBondContact O-N 2.76Å; L921-R924 PolarHBondContact O-N 3.26Å; L921-R924 VanDerWaalsContact O-N 3.12Å; L921-Q929 HydrophobicContact CD2-CG 4.16Å; L921-Q929 HydrophobicContact CG-CG 4.24Å |
| 922 | H | 81.6 | Confident | 84.3 | Confident | 151 Ų | 151 | 40.7 Ų | 40.7 | 70% | 0.699 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.8 | -47 | 176.7 | -172.7 | 71.2 | 0 | 0 | 0 | 111.6 | L918 I919 R924 | L918-H922 PolarHBondContact O-N 2.67Å; I919-H922 PolarHBondContact O-N 2.65Å; I919-H922 VanDerWaalsContact O-N 3.16Å; H922-R924 PolarHBondContact O-N 3.36Å |
| 923 | A | 74.1 | Confident | 84.3 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 26% | 0.256 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D886 I919 N925 | D886-A923 HydrophobicContact CB-CB 3.44Å; D886-A923 VanDerWaalsContact CB-CB 3.44Å; D886-A923 VanDerWaalsContact CG-CB 3.5Å; D886-A923 WeakPolarHBondContact OD2-CB 3.32Å; I919-A923 VanDerWaalsContact O-CB 3.3Å; I919-A923 WeakPolarHBondContact O-CB 3.3Å; I919-A923 PolarHBondContact O-N 3.03Å; A923-N925 HydrophobicContact CB-CB 4.24Å; A923-N925 PolarHBondContact O-N 3.3Å; A923-N925 VanDerWaalsContact O-N 3.11Å |
| 924 | R | 74.8 | Confident | 84.2 | Confident | 190 Ų | 190 | 43.9 Ų | 43.9 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 28.7 | -168.5 | -56.1 | -174.2 | -179.5 | -157.8 | -1.3 | 113.3 | A920 L921 H922 L926 | A920-R924 PolarHBondContact O-N 3.23Å; L921-R924 PolarHBondContact O-N 3.26Å; L921-R924 VanDerWaalsContact O-N 3.12Å; H922-R924 PolarHBondContact O-N 3.36Å; R924-L926 PolarHBondContact O-N 2.92Å; R924-L926 VanDerWaalsContact O-N 3.1Å |
| 925 | N | 74.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | trans | -82 | 93.2 | 177.3 | -169.3 | -36.8 | 0 | 0 | 0 | 109.6 | E887 A920 A923 H927 S928 Q929 | E887-N925 VanDerWaalsContact CD-ND2 3.34Å; E887-N925 WeakPolarHBondContact CG-ND2 3.37Å; E887-N925 PolarHBondContact OE1-ND2 2.85Å; A920-N925 PolarHBondContact O-N 3.19Å; A923-N925 HydrophobicContact CB-CB 4.24Å; A923-N925 PolarHBondContact O-N 3.3Å; A923-N925 VanDerWaalsContact O-N 3.11Å; N925-H927 PolarHBondContact O-N 2.78Å; N925-H927 PolarHBondContact OD1-N 3.39Å; N925-S928 PolarHBondContact ND2-OG 3.48Å; N925-S928 PolarHBondContact O-N 3.19Å; N925-S928 PolarHBondContact OD1-N 3.36Å; N925-S928 VanDerWaalsContact OD1-N 3.09Å; N925-S928 PolarHBondContact OD1-OG 3.04Å; N925-Q929 VanDerWaalsContact O-CG 3.31Å; N925-Q929 WeakPolarHBondContact O-CG 3.35Å; N925-Q929 PolarHBondContact O-N 2.9Å | ||
| 926 | L | 77.2 | Confident | 84.1 | Confident | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.9 | -38 | -177.3 | -63.2 | -175.4 | 0 | 0 | 0 | 112.6 | R924 Q929 M930 V959 E962 L963 | R924-L926 PolarHBondContact O-N 2.92Å; R924-L926 VanDerWaalsContact O-N 3.1Å; L926-Q929 PolarHBondContact O-N 3.28Å; L926-M930 PolarHBondContact O-N 3.02Å; L926-V959 HydrophobicContact CB-CG1 4.06Å; L926-V959 WeakPolarHBondContact O-CG1 3.4Å; L926-E962 HydrophobicContact CD1-CB 3.91Å; L926-E962 WeakPolarHBondContact CD2-OE2 3.44Å; L926-L963 HydrophobicContact CB-CD1 4.3Å; L926-L963 HydrophobicContact CB-CD2 3.8Å; L926-L963 HydrophobicContact CB-CG 4.03Å; L926-L963 HydrophobicContact CD1-CD2 3.88Å; L926-L963 HydrophobicContact CD1-CG 4.18Å; L926-L963 HydrophobicContact CG-CD2 4.5Å |
| 927 | H | 75.6 | Confident | 84.1 | Confident | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.3 | -45.4 | -179.4 | -166.7 | 113.5 | 0 | 0 | 0 | 110.9 | Y351 I352 R353 N925 Q929 M930 V931 | Y351-H927 PolarHBondContact O-NE2 2.98Å; I352-H927 WeakPolarHBondContact CA-CD2 3.44Å; I352-H927 WeakPolarHBondContact CA-NE2 3.09Å; I352-H927 HydrophobicContact CG2-CB 3.82Å; R353-H927 VanDerWaalsContact C-ND1 3.33Å; R353-H927 PolarHBondContact N-CD2 2.87Å; R353-H927 PolarHBondContact N-CE1 3.44Å; R353-H927 VanDerWaalsContact N-CE1 3.29Å; R353-H927 PolarHBondContact N-NE2 3.32Å; R353-H927 VanDerWaalsContact N-NE2 3.15Å; R353-H927 PolarHBondContact O-CE1 2.94Å; R353-H927 PolarHBondContact O-ND1 2.98Å; N925-H927 PolarHBondContact O-N 2.78Å; N925-H927 PolarHBondContact OD1-N 3.39Å; H927-Q929 PolarHBondContact O-N 3.19Å; H927-M930 WeakPolarHBondContact O-CB 3.3Å; H927-M930 PolarHBondContact O-N 3.37Å; H927-M930 VanDerWaalsContact O-N 3.11Å; H927-V931 VanDerWaalsContact CD2-CG2 3.47Å; H927-V931 WeakPolarHBondContact CD2-CG2 3.49Å; H927-V931 WeakPolarHBondContact NE2-CG2 3.47Å; H927-V931 WeakPolarHBondContact O-CG2 3.23Å; H927-V931 PolarHBondContact O-N 3.04Å |
| 928 | S | 79.1 | Confident | 84 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -43.5 | 172.2 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | I352 N925 M930 V931 V932 | I352-S928 WeakPolarHBondContact CD1-OG 3.37Å; I352-S928 WeakPolarHBondContact CG2-OG 3.39Å; N925-S928 PolarHBondContact ND2-OG 3.48Å; N925-S928 PolarHBondContact O-N 3.19Å; N925-S928 PolarHBondContact OD1-N 3.36Å; N925-S928 VanDerWaalsContact OD1-N 3.09Å; N925-S928 PolarHBondContact OD1-OG 3.04Å; S928-M930 PolarHBondContact O-N 3.31Å; S928-V931 PolarHBondContact O-N 3.43Å; S928-V932 VanDerWaalsContact O-CG2 3.24Å; S928-V932 WeakPolarHBondContact O-CG2 3.43Å; S928-V932 PolarHBondContact O-N 3Å; S928-V932 VanDerWaalsContact O-N 3.08Å |
| 929 | Q | 85.8 | Confident | 83.9 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.5 | -67.8 | 172.5 | 36.3 | 0 | 0 | 111.7 | L917 A920 L921 N925 L926 H927 A933 H955 V959 | L917-Q929 HydrophobicContact CD1-CB 4.09Å; L917-Q929 HydrophobicContact CD1-CG 4.28Å; A920-Q929 HydrophobicContact CB-CB 4.41Å; A920-Q929 HydrophobicContact CB-CG 3.64Å; A920-Q929 PolarHBondContact O-NE2 3.33Å; L921-Q929 HydrophobicContact CD2-CG 4.16Å; L921-Q929 HydrophobicContact CG-CG 4.24Å; N925-Q929 VanDerWaalsContact O-CG 3.31Å; N925-Q929 WeakPolarHBondContact O-CG 3.35Å; N925-Q929 PolarHBondContact O-N 2.9Å; L926-Q929 PolarHBondContact O-N 3.28Å; H927-Q929 PolarHBondContact O-N 3.19Å; Q929-A933 WeakPolarHBondContact O-CB 3.33Å; Q929-A933 PolarHBondContact O-N 3.31Å; Q929-H955 PolarHBondContact OE1-NE2 3.32Å; Q929-V959 HydrophobicContact CB-CG2 4.36Å |
| 930 | M | 85.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 179.7 | -177.9 | 175.5 | 56 | 0 | 0 | 112.1 | L926 H927 S928 K934 V959 L963 R968 Y972 | L926-M930 PolarHBondContact O-N 3.02Å; H927-M930 WeakPolarHBondContact O-CB 3.3Å; H927-M930 PolarHBondContact O-N 3.37Å; H927-M930 VanDerWaalsContact O-N 3.11Å; S928-M930 PolarHBondContact O-N 3.31Å; M930-K934 WeakPolarHBondContact O-CB 3.32Å; M930-K934 PolarHBondContact O-N 3.42Å; M930-V959 HydrophobicContact CB-CG1 3.93Å; M930-L963 HydrophobicContact CE-CD1 4.16Å; M930-L963 HydrophobicContact SD-CD1 4.38Å; M930-R968 VanDerWaalsContact SD-CD 3.57Å; M930-Y972 HydrophobicContact CG-CE2 4.09Å; M930-Y972 WeakPolarHBondContact CG-OH 3.14Å; M930-Y972 HydrophobicContact SD-CE2 3.96Å |
| 931 | V | 84.2 | Confident | 84.2 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.085 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -50.1 | -178 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | M350 I352 L894 H927 S928 K934 L935 | M350-V931 WeakPolarHBondContact O-CG1 3.42Å; M350-V931 WeakPolarHBondContact O-CG2 3.42Å; I352-V931 HydrophobicContact CG1-CG2 4.33Å; L894-V931 HydrophobicContact CD1-CG1 4.24Å; H927-V931 VanDerWaalsContact CD2-CG2 3.47Å; H927-V931 WeakPolarHBondContact CD2-CG2 3.49Å; H927-V931 WeakPolarHBondContact NE2-CG2 3.47Å; H927-V931 WeakPolarHBondContact O-CG2 3.23Å; H927-V931 PolarHBondContact O-N 3.04Å; S928-V931 PolarHBondContact O-N 3.43Å; V931-K934 PolarHBondContact O-N 3.36Å; V931-L935 HydrophobicContact CG1-CD1 4.34Å; V931-L935 WeakPolarHBondContact O-CG 3.26Å; V931-L935 PolarHBondContact O-N 3.25Å; V931-L935 VanDerWaalsContact O-N 3.09Å |
| 932 | V | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | V890 L894 Y913 L917 S928 K934 L935 L936 | V890-V932 HydrophobicContact CG1-CG2 3.43Å; V890-V932 VanDerWaalsContact CG1-CG2 3.43Å; L894-V932 HydrophobicContact CD1-CG2 4.47Å; L894-V932 HydrophobicContact CD2-CG2 4.06Å; L894-V932 HydrophobicContact CG-CG2 4.46Å; Y913-V932 WeakPolarHBondContact O-CG1 3.43Å; L917-V932 HydrophobicContact CB-CB 4.36Å; L917-V932 HydrophobicContact CB-CG1 3.81Å; L917-V932 HydrophobicContact CD1-CB 4.48Å; S928-V932 VanDerWaalsContact O-CG2 3.24Å; S928-V932 WeakPolarHBondContact O-CG2 3.43Å; S928-V932 PolarHBondContact O-N 3Å; S928-V932 VanDerWaalsContact O-N 3.08Å; V932-K934 VanDerWaalsContact C-N 3.32Å; V932-K934 PolarHBondContact O-N 3.08Å; V932-L935 PolarHBondContact O-N 3.25Å; V932-L936 HydrophobicContact CG1-CD1 4.18Å; V932-L936 PolarHBondContact O-N 3.46Å |
| 933 | A | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L917 Q929 L936 S937 Y952 C956 | L917-A933 HydrophobicContact CD1-CB 4.34Å; Q929-A933 WeakPolarHBondContact O-CB 3.33Å; Q929-A933 PolarHBondContact O-N 3.31Å; A933-L936 PolarHBondContact O-N 2.79Å; A933-S937 WeakPolarHBondContact O-CB 3.2Å; A933-S937 PolarHBondContact O-N 2.82Å; A933-S937 PolarHBondContact O-OG 3.01Å; A933-Y952 HydrophobicContact CB-CD1 4.41Å; A933-C956 VanDerWaalsContact CB-SG 3.59Å |
| 934 | K | 89.7 | Confident | 84.9 | Confident | 82 Ų | 82 | 35 Ų | 35 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60 | -48.2 | 172.8 | -178.7 | -173.4 | 174.3 | -173.4 | 0 | 111 | M930 V931 V932 L936 S937 V938 Y972 | M930-K934 WeakPolarHBondContact O-CB 3.32Å; M930-K934 PolarHBondContact O-N 3.42Å; V931-K934 PolarHBondContact O-N 3.36Å; V932-K934 VanDerWaalsContact C-N 3.32Å; V932-K934 PolarHBondContact O-N 3.08Å; K934-L936 PolarHBondContact O-N 3.23Å; K934-S937 PolarHBondContact O-N 2.91Å; K934-S937 PolarHBondContact O-OG 3.45Å; K934-V938 WeakPolarHBondContact O-CG2 3.47Å; K934-V938 PolarHBondContact O-N 3.46Å; K934-Y972 HydrophobicContact CD-CE1 4.33Å; K934-Y972 HydrophobicContact CG-CE1 4.4Å |
| 935 | L | 88.7 | Confident | 85.4 | Confident | 31 Ų | 31 | 28.9 Ų | 28.9 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 179.8 | -70 | 170.3 | 0 | 0 | 0 | 112.4 | F349 L894 Y913 V931 V932 S937 V938 L939 | F349-L935 HydrophobicContact CD1-CD1 3.89Å; F349-L935 HydrophobicContact CE1-CD1 3.79Å; F349-L935 HydrophobicContact CE1-CD2 4.39Å; L894-L935 HydrophobicContact CD1-CD1 4.42Å; L894-L935 HydrophobicContact CD2-CD1 3.51Å; Y913-L935 HydrophobicContact CD2-CB 4.18Å; Y913-L935 HydrophobicContact CE2-CB 4Å; V931-L935 HydrophobicContact CG1-CD1 4.34Å; V931-L935 WeakPolarHBondContact O-CG 3.26Å; V931-L935 PolarHBondContact O-N 3.25Å; V931-L935 VanDerWaalsContact O-N 3.09Å; V932-L935 PolarHBondContact O-N 3.25Å; L935-S937 VanDerWaalsContact C-N 3.32Å; L935-S937 PolarHBondContact O-N 2.7Å; L935-V938 PolarHBondContact O-N 3.08Å; L935-L939 WeakPolarHBondContact O-CB 3.44Å; L935-L939 PolarHBondContact O-N 3.08Å |
| 936 | L | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 171.4 | -77.8 | 167.2 | 0 | 0 | 0 | 111 | Y913 E914 L917 V932 A933 K934 V938 L939 Y940 Y952 | Y913-L936 HydrophobicContact CD2-CD2 4.31Å; Y913-L936 HydrophobicContact CG-CD2 4.39Å; E914-L936 HydrophobicContact CG-CD1 4.5Å; E914-L936 HydrophobicContact CG-CD2 4.07Å; L917-L936 HydrophobicContact CB-CD1 4.19Å; L917-L936 HydrophobicContact CD2-CD1 3.92Å; V932-L936 HydrophobicContact CG1-CD1 4.18Å; V932-L936 PolarHBondContact O-N 3.46Å; A933-L936 PolarHBondContact O-N 2.79Å; K934-L936 PolarHBondContact O-N 3.23Å; L936-V938 VanDerWaalsContact C-N 3.33Å; L936-V938 PolarHBondContact O-N 3.05Å; L936-L939 PolarHBondContact O-N 3.39Å; L936-Y940 HydrophobicContact CB-CD2 4.45Å; L936-Y940 HydrophobicContact CB-CE2 4.45Å; L936-Y940 HydrophobicContact CD2-CE2 4.1Å; L936-Y940 WeakPolarHBondContact O-CD2 3.36Å; L936-Y940 PolarHBondContact O-N 2.89Å; L936-Y952 HydrophobicContact CB-CD1 4.13Å; L936-Y952 HydrophobicContact CB-CD2 4.02Å; L936-Y952 HydrophobicContact CB-CE1 4.32Å; L936-Y952 HydrophobicContact CB-CE2 4.24Å; L936-Y952 HydrophobicContact CB-CG 3.97Å; L936-Y952 HydrophobicContact CD1-CD1 3.97Å; L936-Y952 HydrophobicContact CD1-CE1 3.55Å; L936-Y952 HydrophobicContact CG-CE1 4.49Å |
| 937 | S | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | -178.1 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | A933 K934 L935 A941 S949 Y953 | A933-S937 WeakPolarHBondContact O-CB 3.2Å; A933-S937 PolarHBondContact O-N 2.82Å; A933-S937 PolarHBondContact O-OG 3.01Å; K934-S937 PolarHBondContact O-N 2.91Å; K934-S937 PolarHBondContact O-OG 3.45Å; L935-S937 VanDerWaalsContact C-N 3.32Å; L935-S937 PolarHBondContact O-N 2.7Å; S937-A941 WeakPolarHBondContact O-CB 3.36Å; S937-A941 PolarHBondContact O-N 2.97Å; S937-S949 WeakPolarHBondContact O-CB 3.27Å; S937-S949 PolarHBondContact O-OG 2.93Å; S937-Y953 VanDerWaalsContact CB-CD2 3.41Å; S937-Y953 WeakPolarHBondContact OG-CE1 3.33Å; S937-Y953 WeakPolarHBondContact OG-CE2 3.47Å; S937-Y953 PolarHBondContact OG-OH 3.43Å |
| 938 | V | 87.9 | Confident | 86.9 | Confident | 51 Ų | 51 | 34.4 Ų | 34.4 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | K934 L935 L936 Y940 A941 E942 | K934-V938 WeakPolarHBondContact O-CG2 3.47Å; K934-V938 PolarHBondContact O-N 3.46Å; L935-V938 PolarHBondContact O-N 3.08Å; L936-V938 VanDerWaalsContact C-N 3.33Å; L936-V938 PolarHBondContact O-N 3.05Å; V938-Y940 VanDerWaalsContact C-N 3.32Å; V938-Y940 PolarHBondContact O-N 2.84Å; V938-A941 WeakPolarHBondContact O-CB 3.48Å; V938-A941 PolarHBondContact O-N 2.94Å; V938-E942 HydrophobicContact CG1-CG 4.44Å; V938-E942 WeakPolarHBondContact O-CG 3.36Å; V938-E942 PolarHBondContact O-N 3.17Å |
| 939 | L | 88.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 177 | -177.3 | 70.8 | 0 | 0 | 0 | 111.6 | I909 R910 Y913 L935 L936 A941 E942 M943 | I909-L939 HydrophobicContact CB-CD2 4.23Å; I909-L939 HydrophobicContact CD1-CD1 4.36Å; I909-L939 HydrophobicContact CG2-CD1 3.99Å; I909-L939 HydrophobicContact CG2-CD2 3.73Å; I909-L939 HydrophobicContact CG2-CG 4.5Å; R910-L939 HydrophobicContact CB-CD2 4.32Å; Y913-L939 HydrophobicContact CD2-CD2 4.21Å; L935-L939 WeakPolarHBondContact O-CB 3.44Å; L935-L939 PolarHBondContact O-N 3.08Å; L936-L939 PolarHBondContact O-N 3.39Å; L939-A941 VanDerWaalsContact C-N 3.34Å; L939-A941 PolarHBondContact O-N 2.97Å; L939-E942 PolarHBondContact O-N 3.42Å; L939-M943 HydrophobicContact CD2-CE 4.21Å; L939-M943 HydrophobicContact CG-CE 3.8Å; L939-M943 WeakPolarHBondContact O-CG 3.28Å; L939-M943 PolarHBondContact O-N 3.32Å |
| 940 | Y | 88.6 | Confident | 87.7 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -33.8 | 176.6 | -78.6 | -69.2 | 0 | 0 | 0 | 112.9 | R910 E914 L936 V938 M943 L944 L945 Q948 Y952 | R910-Y940 VanDerWaalsContact CD-OH 3.23Å; R910-Y940 WeakPolarHBondContact CD-OH 3.3Å; R910-Y940 WeakPolarHBondContact CG-OH 3.44Å; E914-Y940 PolarHBondContact OE1-OH 3.02Å; L936-Y940 HydrophobicContact CB-CD2 4.45Å; L936-Y940 HydrophobicContact CB-CE2 4.45Å; L936-Y940 HydrophobicContact CD2-CE2 4.1Å; L936-Y940 WeakPolarHBondContact O-CD2 3.36Å; L936-Y940 PolarHBondContact O-N 2.89Å; V938-Y940 VanDerWaalsContact C-N 3.32Å; V938-Y940 PolarHBondContact O-N 2.84Å; Y940-M943 HydrophobicContact CD1-CE 3.55Å; Y940-M943 HydrophobicContact CE1-CE 3.86Å; Y940-M943 HydrophobicContact CG-CE 4.11Å; Y940-M943 CarbonylContact O-C 3.6Å; Y940-M943 PolarHBondContact O-N 3.27Å; Y940-L944 PolarHBondContact O-N 3.18Å; Y940-L945 HydrophobicContact CD1-CB 3.83Å; Y940-L945 HydrophobicContact CD1-CD1 3.83Å; Y940-L945 HydrophobicContact CE1-CD1 4.13Å; Y940-L945 CarbonylContact O-C 3.55Å; Y940-L945 WeakPolarHBondContact O-CA 3.44Å; Y940-L945 PolarHBondContact O-N 3.35Å; Y940-Q948 HydrophobicContact CD1-CB 3.53Å; Y940-Q948 HydrophobicContact CD1-CG 4.05Å; Y940-Q948 HydrophobicContact CD2-CB 4.01Å; Y940-Q948 HydrophobicContact CE1-CB 3.81Å; Y940-Q948 HydrophobicContact CE1-CG 3.93Å; Y940-Q948 HydrophobicContact CE2-CB 4.3Å; Y940-Q948 HydrophobicContact CG-CB 3.64Å; Y940-Y952 AromaticContact CD2-CD2 3.78Å; Y940-Y952 HydrophobicContact CD2-CD2 3.78Å; Y940-Y952 AromaticContact CD2-CE2 3.65Å; Y940-Y952 HydrophobicContact CD2-CE2 3.65Å; Y940-Y952 AromaticContact CE2-CD2 3.91Å; Y940-Y952 HydrophobicContact CE2-CD2 3.91Å; Y940-Y952 AromaticContact CE2-CE2 3.27Å; Y940-Y952 HydrophobicContact CE2-CE2 3.27Å |
| 941 | A | 86.5 | Confident | 88.1 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S937 V938 L939 M943 L944 L979 | S937-A941 WeakPolarHBondContact O-CB 3.36Å; S937-A941 PolarHBondContact O-N 2.97Å; V938-A941 WeakPolarHBondContact O-CB 3.48Å; V938-A941 PolarHBondContact O-N 2.94Å; L939-A941 VanDerWaalsContact C-N 3.34Å; L939-A941 PolarHBondContact O-N 2.97Å; A941-M943 VanDerWaalsContact C-N 3.3Å; A941-M943 PolarHBondContact O-N 2.95Å; A941-L944 WeakPolarHBondContact O-CA 3.11Å; A941-L944 PolarHBondContact O-N 2.97Å; A941-L979 HydrophobicContact CB-CD2 4.19Å |
| 942 | E | 85.6 | Confident | 88.4 | Confident | 119 Ų | 119 | 39.6 Ų | 39.6 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.7 | -37.8 | 173.2 | -71.5 | 176.2 | -177.3 | 0 | 0 | 111.6 | V938 L939 L944 | V938-E942 HydrophobicContact CG1-CG 4.44Å; V938-E942 WeakPolarHBondContact O-CG 3.36Å; V938-E942 PolarHBondContact O-N 3.17Å; L939-E942 PolarHBondContact O-N 3.42Å; E942-L944 PolarHBondContact O-N 3.13Å |
| 943 | M | 84.9 | Confident | 88.7 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 1.7 | 172.5 | -67.9 | -172.8 | -65.4 | 0 | 0 | 113.8 | L939 Y940 A941 L945 | L939-M943 HydrophobicContact CD2-CE 4.21Å; L939-M943 HydrophobicContact CG-CE 3.8Å; L939-M943 WeakPolarHBondContact O-CG 3.28Å; L939-M943 PolarHBondContact O-N 3.32Å; Y940-M943 HydrophobicContact CD1-CE 3.55Å; Y940-M943 HydrophobicContact CE1-CE 3.86Å; Y940-M943 HydrophobicContact CG-CE 4.11Å; Y940-M943 CarbonylContact O-C 3.6Å; Y940-M943 PolarHBondContact O-N 3.27Å; A941-M943 VanDerWaalsContact C-N 3.3Å; A941-M943 PolarHBondContact O-N 2.95Å; M943-L945 HydrophobicContact CB-CD1 4.07Å; M943-L945 HydrophobicContact CB-CG 4.21Å; M943-L945 HydrophobicContact CE-CD1 4.21Å; M943-L945 PolarHBondContact O-N 2.72Å; M943-L945 VanDerWaalsContact O-N 3.16Å |
| 944 | L | 83.8 | Confident | 88.7 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 20.6 | -179.1 | -57.4 | 157.2 | 0 | 0 | 0 | 114 | A370 Y940 A941 E942 Y946 | A370-L944 HydrophobicContact CB-CD1 4.3Å; A370-L944 WeakPolarHBondContact O-CD1 3.3Å; Y940-L944 PolarHBondContact O-N 3.18Å; A941-L944 WeakPolarHBondContact O-CA 3.11Å; A941-L944 PolarHBondContact O-N 2.97Å; E942-L944 PolarHBondContact O-N 3.13Å; L944-Y946 VanDerWaalsContact C-N 3.34Å; L944-Y946 HydrophobicContact CD2-CE2 4.33Å; L944-Y946 VanDerWaalsContact CD2-OH 3.24Å; L944-Y946 WeakPolarHBondContact CD2-OH 2.96Å; L944-Y946 PolarHBondContact O-N 3.16Å |
| 945 | L | 85.3 | Confident | 88.9 | Confident | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | trans | -92.5 | 63.8 | 176.4 | -71.8 | 175.2 | 0 | 0 | 0 | 109.7 | Y940 M943 C947 Q948 S949 | Y940-L945 HydrophobicContact CD1-CB 3.83Å; Y940-L945 HydrophobicContact CD1-CD1 3.83Å; Y940-L945 HydrophobicContact CE1-CD1 4.13Å; Y940-L945 CarbonylContact O-C 3.55Å; Y940-L945 WeakPolarHBondContact O-CA 3.44Å; Y940-L945 PolarHBondContact O-N 3.35Å; M943-L945 HydrophobicContact CB-CD1 4.07Å; M943-L945 HydrophobicContact CB-CG 4.21Å; M943-L945 HydrophobicContact CE-CD1 4.21Å; M943-L945 PolarHBondContact O-N 2.72Å; M943-L945 VanDerWaalsContact O-N 3.16Å; L945-C947 VanDerWaalsContact C-N 3.29Å; L945-C947 PolarHBondContact O-N 3.29Å; L945-Q948 PolarHBondContact O-N 3.33Å; L945-Q948 PolarHBondContact O-OE1 2.88Å; L945-S949 PolarHBondContact O-N 2.92Å | ||
| 946 | Y | 85.1 | Confident | 89 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -32.2 | -171.6 | -59.6 | -59.9 | 0 | 0 | 0 | 114.2 | S369 L944 Q948 S949 I950 L979 S982 L983 | S369-Y946 WeakPolarHBondContact CA-OH 3.48Å; L944-Y946 VanDerWaalsContact C-N 3.34Å; L944-Y946 HydrophobicContact CD2-CE2 4.33Å; L944-Y946 VanDerWaalsContact CD2-OH 3.24Å; L944-Y946 WeakPolarHBondContact CD2-OH 2.96Å; L944-Y946 PolarHBondContact O-N 3.16Å; Y946-Q948 PolarHBondContact O-N 2.98Å; Y946-S949 PolarHBondContact O-N 2.85Å; Y946-I950 WeakPolarHBondContact O-CD1 3.3Å; Y946-I950 VanDerWaalsContact O-CG1 3.25Å; Y946-I950 WeakPolarHBondContact O-CG1 3.35Å; Y946-I950 PolarHBondContact O-N 2.85Å; Y946-L979 HydrophobicContact CD1-CD2 3.67Å; Y946-L979 HydrophobicContact CE1-CD2 4.22Å; Y946-S982 WeakPolarHBondContact CD1-OG 3.34Å; Y946-S982 WeakPolarHBondContact CE1-OG 3.47Å; Y946-L983 HydrophobicContact CD2-CD2 4.29Å; Y946-L983 HydrophobicContact CG-CD2 4.44Å |
| 947 | C | 86.3 | Confident | 89 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 54% | 0.541 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | L945 I950 V951 | L945-C947 VanDerWaalsContact C-N 3.29Å; L945-C947 PolarHBondContact O-N 3.29Å; C947-I950 PolarHBondContact O-N 2.91Å; C947-V951 PolarHBondContact O-N 3.32Å |
| 948 | Q | 88.3 | Confident | 88.9 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 176.2 | -67.6 | 85.3 | -14.4 | 0 | 0 | 110.9 | Y940 L945 Y946 I950 V951 Y952 | Y940-Q948 HydrophobicContact CD1-CB 3.53Å; Y940-Q948 HydrophobicContact CD1-CG 4.05Å; Y940-Q948 HydrophobicContact CD2-CB 4.01Å; Y940-Q948 HydrophobicContact CE1-CB 3.81Å; Y940-Q948 HydrophobicContact CE1-CG 3.93Å; Y940-Q948 HydrophobicContact CE2-CB 4.3Å; Y940-Q948 HydrophobicContact CG-CB 3.64Å; L945-Q948 PolarHBondContact O-N 3.33Å; L945-Q948 PolarHBondContact O-OE1 2.88Å; Y946-Q948 PolarHBondContact O-N 2.98Å; Q948-I950 PolarHBondContact O-N 3.15Å; Q948-V951 PolarHBondContact O-N 3.31Å; Q948-V951 VanDerWaalsContact O-N 3.1Å; Q948-Y952 WeakPolarHBondContact O-CD2 3.47Å; Q948-Y952 PolarHBondContact O-N 3.4Å |
| 949 | S | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.6 | -42 | 176 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | S937 L945 Y946 V951 Y952 Y953 L979 | S937-S949 WeakPolarHBondContact O-CB 3.27Å; S937-S949 PolarHBondContact O-OG 2.93Å; L945-S949 PolarHBondContact O-N 2.92Å; Y946-S949 PolarHBondContact O-N 2.85Å; S949-V951 PolarHBondContact O-N 2.82Å; S949-Y952 PolarHBondContact O-N 2.93Å; S949-Y953 WeakPolarHBondContact O-CD2 3.48Å; S949-Y953 PolarHBondContact O-N 3.1Å; S949-L979 WeakPolarHBondContact OG-CD1 3.49Å |
| 950 | I | 91.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176 | -74.1 | 163.2 | 0 | 0 | 0 | 111.8 | Y946 C947 Q948 Y952 Y953 E954 L976 L979 Y980 L983 | Y946-I950 WeakPolarHBondContact O-CD1 3.3Å; Y946-I950 VanDerWaalsContact O-CG1 3.25Å; Y946-I950 WeakPolarHBondContact O-CG1 3.35Å; Y946-I950 PolarHBondContact O-N 2.85Å; C947-I950 PolarHBondContact O-N 2.91Å; Q948-I950 PolarHBondContact O-N 3.15Å; I950-Y952 VanDerWaalsContact C-N 3.33Å; I950-Y952 PolarHBondContact O-N 3.35Å; I950-Y953 PolarHBondContact O-N 3.38Å; I950-E954 HydrophobicContact CG2-CG 4.27Å; I950-E954 WeakPolarHBondContact O-CB 3.35Å; I950-E954 WeakPolarHBondContact O-CG 3.35Å; I950-E954 PolarHBondContact O-N 2.81Å; I950-L976 HydrophobicContact CB-CD2 4.31Å; I950-L976 HydrophobicContact CG1-CD2 4.35Å; I950-L976 HydrophobicContact CG2-CD2 4.08Å; I950-L979 HydrophobicContact CD1-CB 4.4Å; I950-L979 HydrophobicContact CG1-CB 3.96Å; I950-L979 HydrophobicContact CG1-CD1 4.32Å; I950-Y980 HydrophobicContact CD1-CD1 4.16Å; I950-Y980 HydrophobicContact CD1-CD2 4.11Å; I950-Y980 HydrophobicContact CD1-CE1 4.03Å; I950-Y980 HydrophobicContact CD1-CE2 3.94Å; I950-Y980 HydrophobicContact CD1-CG 4.22Å; I950-Y980 HydrophobicContact CG1-CD2 4.34Å; I950-Y980 HydrophobicContact CG1-CE2 4.05Å; I950-Y980 HydrophobicContact CG2-CE2 3.62Å; I950-Y980 WeakPolarHBondContact CG2-OH 3.25Å; I950-L983 HydrophobicContact CD1-CD1 3.38Å; I950-L983 HydrophobicContact CD1-CG 4.31Å |
| 951 | V | 92.6 | Very high | 87.8 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 53% | 0.533 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | C947 Q948 S949 E954 H955 | C947-V951 PolarHBondContact O-N 3.32Å; Q948-V951 PolarHBondContact O-N 3.31Å; Q948-V951 VanDerWaalsContact O-N 3.1Å; S949-V951 PolarHBondContact O-N 2.82Å; V951-E954 PolarHBondContact O-N 3.24Å; V951-H955 PolarHBondContact O-N 3.18Å |
| 952 | Y | 92.4 | Very high | 87.3 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.6 | -36.2 | 179.7 | -69.3 | -68.9 | 0 | 0 | 0 | 113.2 | L917 A933 L936 Y940 Q948 S949 I950 H955 C956 | L917-Y952 HydrophobicContact CD2-CD1 3.95Å; L917-Y952 HydrophobicContact CD2-CE1 3.57Å; A933-Y952 HydrophobicContact CB-CD1 4.41Å; L936-Y952 HydrophobicContact CB-CD1 4.13Å; L936-Y952 HydrophobicContact CB-CD2 4.02Å; L936-Y952 HydrophobicContact CB-CE1 4.32Å; L936-Y952 HydrophobicContact CB-CE2 4.24Å; L936-Y952 HydrophobicContact CB-CG 3.97Å; L936-Y952 HydrophobicContact CD1-CD1 3.97Å; L936-Y952 HydrophobicContact CD1-CE1 3.55Å; L936-Y952 HydrophobicContact CG-CE1 4.49Å; Y940-Y952 AromaticContact CD2-CD2 3.78Å; Y940-Y952 HydrophobicContact CD2-CD2 3.78Å; Y940-Y952 AromaticContact CD2-CE2 3.65Å; Y940-Y952 HydrophobicContact CD2-CE2 3.65Å; Y940-Y952 AromaticContact CE2-CD2 3.91Å; Y940-Y952 HydrophobicContact CE2-CD2 3.91Å; Y940-Y952 AromaticContact CE2-CE2 3.27Å; Y940-Y952 HydrophobicContact CE2-CE2 3.27Å; Q948-Y952 WeakPolarHBondContact O-CD2 3.47Å; Q948-Y952 PolarHBondContact O-N 3.4Å; S949-Y952 PolarHBondContact O-N 2.93Å; I950-Y952 VanDerWaalsContact C-N 3.33Å; I950-Y952 PolarHBondContact O-N 3.35Å; Y952-H955 WeakPolarHBondContact O-CB 3.09Å; Y952-H955 PolarHBondContact O-N 3.5Å; Y952-C956 PolarHBondContact O-N 3.4Å; Y952-C956 PolarHBondContact O-SG 2.92Å |
| 953 | Y | 92.9 | Very high | 86.5 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.5 | -33.5 | 172.5 | -85.4 | -63.7 | 0 | 0 | 0 | 112.4 | S937 S949 I950 H955 C956 V957 Y972 K975 L976 L979 | S937-Y953 VanDerWaalsContact CB-CD2 3.41Å; S937-Y953 WeakPolarHBondContact OG-CE1 3.33Å; S937-Y953 WeakPolarHBondContact OG-CE2 3.47Å; S937-Y953 PolarHBondContact OG-OH 3.43Å; S949-Y953 WeakPolarHBondContact O-CD2 3.48Å; S949-Y953 PolarHBondContact O-N 3.1Å; I950-Y953 PolarHBondContact O-N 3.38Å; Y953-H955 VanDerWaalsContact C-N 3.29Å; Y953-H955 PolarHBondContact O-N 2.89Å; Y953-C956 WeakPolarHBondContact O-CB 3.31Å; Y953-C956 PolarHBondContact O-N 3.45Å; Y953-C956 VanDerWaalsContact O-N 3.14Å; Y953-V957 WeakPolarHBondContact O-CG2 3.37Å; Y953-V957 PolarHBondContact O-N 3.18Å; Y953-Y972 AromaticContact CD1-CD1 3.83Å; Y953-Y972 HydrophobicContact CD1-CD1 3.83Å; Y953-Y972 HydrophobicContact CD1-CG 4.42Å; Y953-Y972 AromaticContact CE1-CD1 3.83Å; Y953-Y972 HydrophobicContact CE1-CD1 3.83Å; Y953-Y972 HydrophobicContact CE1-CE1 4.34Å; Y953-K975 HydrophobicContact CD1-CB 4.22Å; Y953-K975 HydrophobicContact CE1-CB 3.86Å; Y953-K975 HydrophobicContact CE1-CG 4.16Å; Y953-K975 HydrophobicContact CE2-CB 4.31Å; Y953-L976 HydrophobicContact CG-CD2 4.47Å; Y953-L979 HydrophobicContact CD2-CD1 3.29Å; Y953-L979 HydrophobicContact CE2-CD1 3.6Å; Y953-L979 HydrophobicContact CG-CD1 4.36Å |
| 954 | E | 93.1 | Very high | 85.8 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 170.9 | -76.8 | 177.7 | 177.5 | 0 | 0 | 110.9 | I950 V951 V957 S958 L976 Y980 Y996 | I950-E954 HydrophobicContact CG2-CG 4.27Å; I950-E954 WeakPolarHBondContact O-CB 3.35Å; I950-E954 WeakPolarHBondContact O-CG 3.35Å; I950-E954 PolarHBondContact O-N 2.81Å; V951-E954 PolarHBondContact O-N 3.24Å; E954-V957 PolarHBondContact O-N 3.12Å; E954-S958 PolarHBondContact O-N 2.95Å; E954-L976 HydrophobicContact CG-CD1 3.97Å; E954-L976 HydrophobicContact CG-CD2 3.99Å; E954-Y980 PolarHBondContact OE1-OH 2.85Å; E954-Y980 VanDerWaalsContact OE1-OH 3.07Å; E954-Y996 PolarHBondContact OE1-OH 3.21Å |
| 955 | H | 92.4 | Very high | 85.3 | Confident | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 169.6 | -170.1 | 67.7 | 0 | 0 | 0 | 112.6 | Q929 V951 Y952 Y953 V957 S958 V959 | Q929-H955 PolarHBondContact OE1-NE2 3.32Å; V951-H955 PolarHBondContact O-N 3.18Å; Y952-H955 WeakPolarHBondContact O-CB 3.09Å; Y952-H955 PolarHBondContact O-N 3.5Å; Y953-H955 VanDerWaalsContact C-N 3.29Å; Y953-H955 PolarHBondContact O-N 2.89Å; H955-V957 VanDerWaalsContact C-N 3.25Å; H955-V957 PolarHBondContact O-N 2.95Å; H955-S958 WeakPolarHBondContact CA-OG 3.44Å; H955-S958 PolarHBondContact O-N 3.15Å; H955-S958 PolarHBondContact O-OG 2.9Å; H955-V959 WeakPolarHBondContact NE2-CG2 3.39Å; H955-V959 WeakPolarHBondContact O-CB 3.41Å; H955-V959 VanDerWaalsContact O-CG2 3.26Å; H955-V959 WeakPolarHBondContact O-CG2 3.4Å; H955-V959 PolarHBondContact O-N 2.83Å |
| 956 | C | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -35.3 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | A933 Y952 Y953 S960 Y972 | A933-C956 VanDerWaalsContact CB-SG 3.59Å; Y952-C956 PolarHBondContact O-N 3.4Å; Y952-C956 PolarHBondContact O-SG 2.92Å; Y953-C956 WeakPolarHBondContact O-CB 3.31Å; Y953-C956 PolarHBondContact O-N 3.45Å; Y953-C956 VanDerWaalsContact O-N 3.14Å; C956-S960 VanDerWaalsContact O-CB 3.3Å; C956-S960 WeakPolarHBondContact O-CB 3.49Å; C956-S960 PolarHBondContact O-N 2.97Å; C956-S960 PolarHBondContact O-OG 3.37Å; C956-Y972 HydrophobicContact CB-CD1 4.18Å; C956-Y972 HydrophobicContact CB-CD2 3.6Å; C956-Y972 HydrophobicContact CB-CE1 4.34Å; C956-Y972 HydrophobicContact CB-CE2 3.77Å; C956-Y972 HydrophobicContact CB-CG 3.83Å |
| 957 | V | 91.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 173.6 | 171 | 0 | 0 | 0 | 0 | 111.6 | Y953 E954 H955 S960 R961 E969 L973 L976 | Y953-V957 WeakPolarHBondContact O-CG2 3.37Å; Y953-V957 PolarHBondContact O-N 3.18Å; E954-V957 PolarHBondContact O-N 3.12Å; H955-V957 VanDerWaalsContact C-N 3.25Å; H955-V957 PolarHBondContact O-N 2.95Å; V957-S960 VanDerWaalsContact CA-OG 3.32Å; V957-S960 WeakPolarHBondContact CA-OG 3.46Å; V957-S960 PolarHBondContact O-OG 2.93Å; V957-R961 VanDerWaalsContact CG1-CZ 3.5Å; V957-R961 VanDerWaalsContact O-CG 3.26Å; V957-R961 WeakPolarHBondContact O-CG 3.3Å; V957-R961 PolarHBondContact O-N 3.41Å; V957-R961 VanDerWaalsContact O-N 3.12Å; V957-E969 HydrophobicContact CG1-CG 4.25Å; V957-L973 HydrophobicContact CG1-CD2 4.18Å; V957-L973 HydrophobicContact CG1-CG 4.5Å; V957-L973 HydrophobicContact CG2-CD2 4.08Å; V957-L973 HydrophobicContact CG2-CG 4.05Å; V957-L976 HydrophobicContact CG2-CD1 3.75Å |
| 958 | S | 89.3 | Confident | 84.6 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | E954 H955 R961 E962 | E954-S958 PolarHBondContact O-N 2.95Å; H955-S958 WeakPolarHBondContact CA-OG 3.44Å; H955-S958 PolarHBondContact O-N 3.15Å; H955-S958 PolarHBondContact O-OG 2.9Å; S958-R961 WeakPolarHBondContact O-CB 3.45Å; S958-R961 PolarHBondContact O-N 3.3Å; S958-E962 PolarHBondContact O-N 3.18Å |
| 959 | V | 80.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.9 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | L926 Q929 M930 H955 R961 E962 L963 | L926-V959 HydrophobicContact CB-CG1 4.06Å; L926-V959 WeakPolarHBondContact O-CG1 3.4Å; Q929-V959 HydrophobicContact CB-CG2 4.36Å; M930-V959 HydrophobicContact CB-CG1 3.93Å; H955-V959 WeakPolarHBondContact NE2-CG2 3.39Å; H955-V959 WeakPolarHBondContact O-CB 3.41Å; H955-V959 VanDerWaalsContact O-CG2 3.26Å; H955-V959 WeakPolarHBondContact O-CG2 3.4Å; H955-V959 PolarHBondContact O-N 2.83Å; V959-R961 VanDerWaalsContact C-N 3.29Å; V959-R961 PolarHBondContact O-N 3.21Å; V959-E962 PolarHBondContact O-N 3.27Å; V959-L963 HydrophobicContact CG1-CD1 4Å; V959-L963 HydrophobicContact CG1-CG 4.43Å; V959-L963 WeakPolarHBondContact O-CB 3.02Å; V959-L963 WeakPolarHBondContact O-CG 3.47Å; V959-L963 PolarHBondContact O-N 3.42Å |
| 960 | S | 80.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 175.6 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | C956 V957 K964 D965 E969 | C956-S960 VanDerWaalsContact O-CB 3.3Å; C956-S960 WeakPolarHBondContact O-CB 3.49Å; C956-S960 PolarHBondContact O-N 2.97Å; C956-S960 PolarHBondContact O-OG 3.37Å; V957-S960 VanDerWaalsContact CA-OG 3.32Å; V957-S960 WeakPolarHBondContact CA-OG 3.46Å; V957-S960 PolarHBondContact O-OG 2.93Å; S960-K964 PolarHBondContact O-N 3.43Å; S960-D965 PolarHBondContact O-N 3.44Å; S960-E969 WeakPolarHBondContact OG-CA 3.23Å |
| 961 | R | 80.8 | Confident | 84.3 | Confident | 113 Ų | 113 | 46.4 Ų | 46.4 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66 | -41.5 | 170.9 | -72.5 | 168.1 | 176.8 | 164.4 | 4.8 | 112.4 | V957 S958 V959 K964 E969 | V957-R961 VanDerWaalsContact CG1-CZ 3.5Å; V957-R961 VanDerWaalsContact O-CG 3.26Å; V957-R961 WeakPolarHBondContact O-CG 3.3Å; V957-R961 PolarHBondContact O-N 3.41Å; V957-R961 VanDerWaalsContact O-N 3.12Å; S958-R961 WeakPolarHBondContact O-CB 3.45Å; S958-R961 PolarHBondContact O-N 3.3Å; V959-R961 VanDerWaalsContact C-N 3.29Å; V959-R961 PolarHBondContact O-N 3.21Å; R961-K964 PolarHBondContact O-N 2.84Å; R961-K964 VanDerWaalsContact O-N 3.16Å; R961-E969 HydrophobicContact CG-CG 4.31Å; R961-E969 WeakPolarHBondContact CG-OE2 3.33Å; R961-E969 IonicContact CZ-OE1 2.65Å; R961-E969 IonicContact NE-OE1 3.15Å; R961-E969 PolarHBondContact NE-OE1 2.92Å; R961-E969 IonicContact NH2-OE1 3.58Å; R961-E969 PolarHBondContact NH2-OE1 3.24Å; R961-E969 VanDerWaalsContact NH2-OE1 3.14Å |
| 962 | E | 74.8 | Confident | 84.2 | Confident | 112 Ų | 112 | 43 Ų | 43 | 52% | 0.523 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.9 | -70.4 | -179.3 | -170.3 | 0 | 0 | 112 | L926 S958 V959 K964 | L926-E962 HydrophobicContact CD1-CB 3.91Å; L926-E962 WeakPolarHBondContact CD2-OE2 3.44Å; S958-E962 PolarHBondContact O-N 3.18Å; V959-E962 PolarHBondContact O-N 3.27Å; E962-K964 PolarHBondContact O-N 3.3Å |
| 963 | L | 68.6 | Low | 84.2 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.9 | 173.6 | -69.8 | 173.8 | 0 | 0 | 0 | 113.6 | L926 M930 V959 D965 | L926-L963 HydrophobicContact CB-CD1 4.3Å; L926-L963 HydrophobicContact CB-CD2 3.8Å; L926-L963 HydrophobicContact CB-CG 4.03Å; L926-L963 HydrophobicContact CD1-CD2 3.88Å; L926-L963 HydrophobicContact CD1-CG 4.18Å; L926-L963 HydrophobicContact CG-CD2 4.5Å; M930-L963 HydrophobicContact CE-CD1 4.16Å; M930-L963 HydrophobicContact SD-CD1 4.38Å; V959-L963 HydrophobicContact CG1-CD1 4Å; V959-L963 HydrophobicContact CG1-CG 4.43Å; V959-L963 WeakPolarHBondContact O-CB 3.02Å; V959-L963 WeakPolarHBondContact O-CG 3.47Å; V959-L963 PolarHBondContact O-N 3.42Å; L963-D965 HydrophobicContact CB-CB 4.46Å; L963-D965 PolarHBondContact O-N 3.15Å |
| 964 | K | 71.7 | Confident | 84 | Confident | 111 Ų | 111 | 44 Ų | 44 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.4 | -172.9 | -52.7 | -174 | -175.6 | -171.7 | 0 | 113.3 | D49 S960 R961 E962 K966 | D49-K964 IonicContact OD2-NZ 3.75Å; D49-K964 PolarHBondContact OD2-NZ 3.16Å; S960-K964 PolarHBondContact O-N 3.43Å; R961-K964 PolarHBondContact O-N 2.84Å; R961-K964 VanDerWaalsContact O-N 3.16Å; E962-K964 PolarHBondContact O-N 3.3Å; K964-K966 PolarHBondContact O-N 3Å |
| 965 | D | 71.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 21% | 0.209 | C | C | . | . | trans | -93.8 | 88 | 177.6 | -170.9 | -19 | 0 | 0 | 0 | 110.6 | S960 L963 R967 R968 E969 | S960-D965 PolarHBondContact O-N 3.44Å; L963-D965 HydrophobicContact CB-CB 4.46Å; L963-D965 PolarHBondContact O-N 3.15Å; D965-R967 VanDerWaalsContact C-N 3.29Å; D965-R967 PolarHBondContact O-N 3.46Å; D965-R967 PolarHBondContact OD1-N 3.26Å; D965-R968 HydrophobicContact CB-CB 4.42Å; D965-R968 PolarHBondContact O-N 3.5Å; D965-R968 PolarHBondContact OD1-N 3.46Å; D965-R968 VanDerWaalsContact OD1-N 3.12Å; D965-R968 WeakPolarHBondContact OD2-CD 3.45Å; D965-R968 VanDerWaalsContact OD2-CG 3.3Å; D965-R968 WeakPolarHBondContact OD2-CG 3.21Å; D965-R968 IonicContact OD2-CZ 2.86Å; D965-R968 IonicContact OD2-NE 3.33Å; D965-R968 IonicContact OD2-NH1 3.9Å; D965-R968 PolarHBondContact OD2-NH1 3.16Å; D965-E969 PolarHBondContact O-N 2.9Å | ||
| 966 | K | 80.4 | Confident | 83.8 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -31.5 | -178.6 | -70.9 | -69.4 | 171.4 | -168.3 | 0 | 113.5 | V42 K964 E969 G970 I1003 L1007 | V42-K966 HydrophobicContact CB-CG 4.34Å; V42-K966 HydrophobicContact CG1-CD 4.26Å; V42-K966 HydrophobicContact CG1-CG 3.53Å; V42-K966 HydrophobicContact CG2-CB 4.23Å; V42-K966 HydrophobicContact CG2-CG 3.9Å; K964-K966 PolarHBondContact O-N 3Å; K966-E969 VanDerWaalsContact CD-OE2 3.32Å; K966-E969 WeakPolarHBondContact CD-OE2 3.43Å; K966-E969 WeakPolarHBondContact CE-OE2 3.37Å; K966-E969 IonicContact NZ-OE1 3.24Å; K966-E969 IonicContact NZ-OE2 3.99Å; K966-E969 PolarHBondContact NZ-OE2 3.13Å; K966-E969 WeakPolarHBondContact O-CB 3.44Å; K966-E969 PolarHBondContact O-N 3.11Å; K966-G970 PolarHBondContact O-N 3.35Å; K966-I1003 HydrophobicContact CB-CG2 4.29Å; K966-I1003 WeakPolarHBondContact O-CG2 3.38Å; K966-L1007 HydrophobicContact CB-CD2 4.35Å |
| 967 | R | 81.4 | Confident | 83.8 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -52 | 179.6 | 178.3 | 177.3 | 177.1 | 177.1 | 0.5 | 110.1 | K357 D965 E969 G970 E971 L1007 | K357-R967 PolarHBondContact O-NH1 2.92Å; D965-R967 VanDerWaalsContact C-N 3.29Å; D965-R967 PolarHBondContact O-N 3.46Å; D965-R967 PolarHBondContact OD1-N 3.26Å; R967-E969 VanDerWaalsContact C-N 3.31Å; R967-E969 PolarHBondContact O-N 3.07Å; R967-G970 PolarHBondContact O-N 3.26Å; R967-E971 WeakPolarHBondContact CG-OE1 3.34Å; R967-E971 IonicContact NE-OE1 3.65Å; R967-E971 PolarHBondContact NE-OE1 2.96Å; R967-E971 WeakPolarHBondContact O-CG 3.4Å; R967-E971 PolarHBondContact O-N 3.28Å; R967-E971 VanDerWaalsContact O-N 3.11Å; R967-L1007 HydrophobicContact CB-CD1 4.07Å |
| 968 | R | 81.9 | Confident | 83.7 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 176.9 | -69.9 | -172.4 | 176.8 | 117.1 | -7.2 | 112.2 | R355 M930 D965 G970 E971 Y972 | R355-R968 PolarHBondContact O-NH2 3.14Å; M930-R968 VanDerWaalsContact SD-CD 3.57Å; D965-R968 HydrophobicContact CB-CB 4.42Å; D965-R968 PolarHBondContact O-N 3.5Å; D965-R968 PolarHBondContact OD1-N 3.46Å; D965-R968 VanDerWaalsContact OD1-N 3.12Å; D965-R968 WeakPolarHBondContact OD2-CD 3.45Å; D965-R968 VanDerWaalsContact OD2-CG 3.3Å; D965-R968 WeakPolarHBondContact OD2-CG 3.21Å; D965-R968 IonicContact OD2-CZ 2.86Å; D965-R968 IonicContact OD2-NE 3.33Å; D965-R968 IonicContact OD2-NH1 3.9Å; D965-R968 PolarHBondContact OD2-NH1 3.16Å; R968-G970 VanDerWaalsContact C-N 3.34Å; R968-G970 PolarHBondContact O-N 3.41Å; R968-E971 PolarHBondContact O-N 2.89Å; R968-Y972 HydrophobicContact CB-CD2 4.33Å; R968-Y972 HydrophobicContact CB-CE2 3.92Å; R968-Y972 WeakPolarHBondContact O-CD2 3.09Å; R968-Y972 VanDerWaalsContact O-CG 3.3Å; R968-Y972 PolarHBondContact O-N 3.45Å |
| 969 | E | 87.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -49.1 | 172.8 | -172.6 | -175.9 | 170.7 | 0 | 0 | 111.1 | V957 S960 R961 D965 K966 R967 Y972 L973 I1003 | V957-E969 HydrophobicContact CG1-CG 4.25Å; S960-E969 WeakPolarHBondContact OG-CA 3.23Å; R961-E969 HydrophobicContact CG-CG 4.31Å; R961-E969 WeakPolarHBondContact CG-OE2 3.33Å; R961-E969 IonicContact CZ-OE1 2.65Å; R961-E969 IonicContact NE-OE1 3.15Å; R961-E969 PolarHBondContact NE-OE1 2.92Å; R961-E969 IonicContact NH2-OE1 3.58Å; R961-E969 PolarHBondContact NH2-OE1 3.24Å; R961-E969 VanDerWaalsContact NH2-OE1 3.14Å; D965-E969 PolarHBondContact O-N 2.9Å; K966-E969 VanDerWaalsContact CD-OE2 3.32Å; K966-E969 WeakPolarHBondContact CD-OE2 3.43Å; K966-E969 WeakPolarHBondContact CE-OE2 3.37Å; K966-E969 IonicContact NZ-OE1 3.24Å; K966-E969 IonicContact NZ-OE2 3.99Å; K966-E969 PolarHBondContact NZ-OE2 3.13Å; K966-E969 WeakPolarHBondContact O-CB 3.44Å; K966-E969 PolarHBondContact O-N 3.11Å; R967-E969 VanDerWaalsContact C-N 3.31Å; R967-E969 PolarHBondContact O-N 3.07Å; E969-Y972 PolarHBondContact O-N 3.07Å; E969-L973 HydrophobicContact CG-CD1 3.9Å; E969-L973 HydrophobicContact CG-CG 4.46Å; E969-L973 WeakPolarHBondContact O-CB 3.08Å; E969-L973 WeakPolarHBondContact O-CD1 3.41Å; E969-L973 WeakPolarHBondContact O-CG 3.34Å; E969-L973 PolarHBondContact O-N 2.91Å; E969-I1003 HydrophobicContact CB-CD1 4.06Å; E969-I1003 HydrophobicContact CG-CD1 3.75Å |
| 970 | G | 87.4 | Confident | 84 | Confident | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K966 R967 R968 L973 E974 S1000 | K966-G970 PolarHBondContact O-N 3.35Å; R967-G970 PolarHBondContact O-N 3.26Å; R968-G970 VanDerWaalsContact C-N 3.34Å; R968-G970 PolarHBondContact O-N 3.41Å; G970-L973 PolarHBondContact O-N 3.28Å; G970-E974 PolarHBondContact O-N 3.19Å; G970-S1000 PolarHBondContact O-OG 2.85Å |
| 971 | E | 87.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -45.1 | 177.2 | -69.1 | 170.8 | -164.7 | 0 | 0 | 111.3 | R967 R968 E974 K975 | R967-E971 WeakPolarHBondContact CG-OE1 3.34Å; R967-E971 IonicContact NE-OE1 3.65Å; R967-E971 PolarHBondContact NE-OE1 2.96Å; R967-E971 WeakPolarHBondContact O-CG 3.4Å; R967-E971 PolarHBondContact O-N 3.28Å; R967-E971 VanDerWaalsContact O-N 3.11Å; R968-E971 PolarHBondContact O-N 2.89Å; E971-E974 PolarHBondContact O-N 3.27Å; E971-K975 WeakPolarHBondContact O-CG 3.5Å; E971-K975 PolarHBondContact O-N 2.86Å; E971-K975 VanDerWaalsContact O-N 3.07Å |
| 972 | Y | 90.5 | Very high | 84.3 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.2 | -34.8 | 178.6 | -63.8 | -42.8 | 0 | 0 | 0 | 113.1 | M930 K934 Y953 C956 R968 E969 E974 K975 L976 | M930-Y972 HydrophobicContact CG-CE2 4.09Å; M930-Y972 WeakPolarHBondContact CG-OH 3.14Å; M930-Y972 HydrophobicContact SD-CE2 3.96Å; K934-Y972 HydrophobicContact CD-CE1 4.33Å; K934-Y972 HydrophobicContact CG-CE1 4.4Å; Y953-Y972 AromaticContact CD1-CD1 3.83Å; Y953-Y972 HydrophobicContact CD1-CD1 3.83Å; Y953-Y972 HydrophobicContact CD1-CG 4.42Å; Y953-Y972 AromaticContact CE1-CD1 3.83Å; Y953-Y972 HydrophobicContact CE1-CD1 3.83Å; Y953-Y972 HydrophobicContact CE1-CE1 4.34Å; C956-Y972 HydrophobicContact CB-CD1 4.18Å; C956-Y972 HydrophobicContact CB-CD2 3.6Å; C956-Y972 HydrophobicContact CB-CE1 4.34Å; C956-Y972 HydrophobicContact CB-CE2 3.77Å; C956-Y972 HydrophobicContact CB-CG 3.83Å; R968-Y972 HydrophobicContact CB-CD2 4.33Å; R968-Y972 HydrophobicContact CB-CE2 3.92Å; R968-Y972 WeakPolarHBondContact O-CD2 3.09Å; R968-Y972 VanDerWaalsContact O-CG 3.3Å; R968-Y972 PolarHBondContact O-N 3.45Å; E969-Y972 PolarHBondContact O-N 3.07Å; Y972-E974 VanDerWaalsContact C-N 3.31Å; Y972-E974 PolarHBondContact O-N 3.44Å; Y972-K975 PolarHBondContact O-N 3.46Å; Y972-L976 WeakPolarHBondContact O-CG 3.31Å; Y972-L976 PolarHBondContact O-N 3.01Å |
| 973 | L | 92.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 173.3 | -74.1 | 166.4 | 0 | 0 | 0 | 111.9 | V957 E969 G970 L976 S977 Y996 Q999 I1003 | V957-L973 HydrophobicContact CG1-CD2 4.18Å; V957-L973 HydrophobicContact CG1-CG 4.5Å; V957-L973 HydrophobicContact CG2-CD2 4.08Å; V957-L973 HydrophobicContact CG2-CG 4.05Å; E969-L973 HydrophobicContact CG-CD1 3.9Å; E969-L973 HydrophobicContact CG-CG 4.46Å; E969-L973 WeakPolarHBondContact O-CB 3.08Å; E969-L973 WeakPolarHBondContact O-CD1 3.41Å; E969-L973 WeakPolarHBondContact O-CG 3.34Å; E969-L973 PolarHBondContact O-N 2.91Å; G970-L973 PolarHBondContact O-N 3.28Å; L973-L976 PolarHBondContact O-N 2.95Å; L973-S977 PolarHBondContact O-N 3.37Å; L973-Y996 HydrophobicContact CD2-CD1 3.46Å; L973-Y996 VanDerWaalsContact CD2-CD1 3.46Å; L973-Y996 HydrophobicContact CD2-CE1 4.12Å; L973-Y996 HydrophobicContact CD2-CG 4.35Å; L973-Q999 HydrophobicContact CD1-CB 3.83Å; L973-Q999 HydrophobicContact CD2-CB 4.35Å; L973-I1003 HydrophobicContact CD1-CD1 3.64Å |
| 974 | E | 89.9 | Confident | 84.3 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 174.3 | -165.4 | -168.6 | 162.4 | 0 | 0 | 111.4 | G970 E971 Y972 L976 S977 S978 | G970-E974 PolarHBondContact O-N 3.19Å; E971-E974 PolarHBondContact O-N 3.27Å; Y972-E974 VanDerWaalsContact C-N 3.31Å; Y972-E974 PolarHBondContact O-N 3.44Å; E974-L976 PolarHBondContact O-N 2.99Å; E974-S977 WeakPolarHBondContact O-CB 3.45Å; E974-S977 PolarHBondContact O-N 3.33Å; E974-S978 PolarHBondContact O-N 3.25Å |
| 975 | K | 90.2 | Very high | 83.8 | Confident | 107 Ų | 107 | 42.6 Ų | 42.6 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 173.6 | -65.6 | -57.6 | -179.9 | -168 | 0 | 111.7 | Y953 E971 Y972 S977 S978 L979 | Y953-K975 HydrophobicContact CD1-CB 4.22Å; Y953-K975 HydrophobicContact CE1-CB 3.86Å; Y953-K975 HydrophobicContact CE1-CG 4.16Å; Y953-K975 HydrophobicContact CE2-CB 4.31Å; E971-K975 WeakPolarHBondContact O-CG 3.5Å; E971-K975 PolarHBondContact O-N 2.86Å; E971-K975 VanDerWaalsContact O-N 3.07Å; Y972-K975 PolarHBondContact O-N 3.46Å; K975-S977 VanDerWaalsContact C-N 3.33Å; K975-S977 PolarHBondContact O-N 2.7Å; K975-S978 PolarHBondContact O-N 3.5Å; K975-S978 PolarHBondContact O-OG 3.48Å; K975-L979 WeakPolarHBondContact O-CG 3.46Å; K975-L979 PolarHBondContact O-N 2.94Å |
| 976 | L | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 173 | -79.2 | 171.7 | 0 | 0 | 0 | 111.6 | I950 Y953 E954 V957 Y972 L973 E974 S978 L979 Y980 Y996 | I950-L976 HydrophobicContact CB-CD2 4.31Å; I950-L976 HydrophobicContact CG1-CD2 4.35Å; I950-L976 HydrophobicContact CG2-CD2 4.08Å; Y953-L976 HydrophobicContact CG-CD2 4.47Å; E954-L976 HydrophobicContact CG-CD1 3.97Å; E954-L976 HydrophobicContact CG-CD2 3.99Å; V957-L976 HydrophobicContact CG2-CD1 3.75Å; Y972-L976 WeakPolarHBondContact O-CG 3.31Å; Y972-L976 PolarHBondContact O-N 3.01Å; L973-L976 PolarHBondContact O-N 2.95Å; E974-L976 PolarHBondContact O-N 2.99Å; L976-S978 VanDerWaalsContact C-N 3.32Å; L976-S978 PolarHBondContact O-N 3.49Å; L976-L979 PolarHBondContact O-N 3.2Å; L976-L979 VanDerWaalsContact O-N 3.16Å; L976-Y980 HydrophobicContact CD2-CE2 4.48Å; L976-Y980 VanDerWaalsContact O-CD2 3.26Å; L976-Y980 WeakPolarHBondContact O-CD2 3.42Å; L976-Y980 PolarHBondContact O-N 2.74Å; L976-Y996 HydrophobicContact CB-CD2 4.21Å; L976-Y996 HydrophobicContact CB-CG 4.29Å; L976-Y996 HydrophobicContact CD1-CD1 4.4Å; L976-Y996 HydrophobicContact CD1-CE1 4.19Å |
| 977 | S | 90.9 | Very high | 82.7 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 177.1 | 177 | 0 | 0 | 0 | 0 | 111.9 | L973 E974 K975 L979 Y980 L981 S993 T997 | L973-S977 PolarHBondContact O-N 3.37Å; E974-S977 WeakPolarHBondContact O-CB 3.45Å; E974-S977 PolarHBondContact O-N 3.33Å; K975-S977 VanDerWaalsContact C-N 3.33Å; K975-S977 PolarHBondContact O-N 2.7Å; S977-L979 VanDerWaalsContact C-N 3.31Å; S977-L979 PolarHBondContact O-N 2.82Å; S977-Y980 PolarHBondContact O-N 3.38Å; S977-L981 PolarHBondContact O-N 3.21Å; S977-S993 PolarHBondContact O-OG 2.88Å; S977-S993 PolarHBondContact OG-O 2.88Å; S977-S993 PolarHBondContact OG-OG 3.34Å; S977-T997 VanDerWaalsContact CB-OG1 3.26Å; S977-T997 WeakPolarHBondContact CB-OG1 3.45Å; S977-T997 PolarHBondContact OG-OG1 2.88Å |
| 978 | S | 88.6 | Confident | 82.3 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 178.4 | 76 | 0 | 0 | 0 | 0 | 112.7 | E974 K975 L976 L981 S982 | E974-S978 PolarHBondContact O-N 3.25Å; K975-S978 PolarHBondContact O-N 3.5Å; K975-S978 PolarHBondContact O-OG 3.48Å; L976-S978 VanDerWaalsContact C-N 3.32Å; L976-S978 PolarHBondContact O-N 3.49Å; S978-L981 PolarHBondContact O-N 2.87Å; S978-S982 PolarHBondContact O-N 3.21Å |
| 979 | L | 88.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.9 | -69.9 | 168.4 | 0 | 0 | 0 | 111.7 | A941 Y946 S949 I950 Y953 K975 L976 S977 L981 S982 L983 | A941-L979 HydrophobicContact CB-CD2 4.19Å; Y946-L979 HydrophobicContact CD1-CD2 3.67Å; Y946-L979 HydrophobicContact CE1-CD2 4.22Å; S949-L979 WeakPolarHBondContact OG-CD1 3.49Å; I950-L979 HydrophobicContact CD1-CB 4.4Å; I950-L979 HydrophobicContact CG1-CB 3.96Å; I950-L979 HydrophobicContact CG1-CD1 4.32Å; Y953-L979 HydrophobicContact CD2-CD1 3.29Å; Y953-L979 HydrophobicContact CE2-CD1 3.6Å; Y953-L979 HydrophobicContact CG-CD1 4.36Å; K975-L979 WeakPolarHBondContact O-CG 3.46Å; K975-L979 PolarHBondContact O-N 2.94Å; L976-L979 PolarHBondContact O-N 3.2Å; L976-L979 VanDerWaalsContact O-N 3.16Å; S977-L979 VanDerWaalsContact C-N 3.31Å; S977-L979 PolarHBondContact O-N 2.82Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.82Å; L979-S982 PolarHBondContact O-N 2.93Å; L979-S982 VanDerWaalsContact O-N 3.14Å; L979-S982 PolarHBondContact O-OG 2.78Å; L979-L983 PolarHBondContact O-N 3.01Å |
| 980 | Y | 87.9 | Confident | 81.8 | Confident | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 175 | -86.2 | -76.8 | 0 | 0 | 0 | 112.3 | I950 E954 L976 S977 L983 S989 K992 Y996 | I950-Y980 HydrophobicContact CD1-CD1 4.16Å; I950-Y980 HydrophobicContact CD1-CD2 4.11Å; I950-Y980 HydrophobicContact CD1-CE1 4.03Å; I950-Y980 HydrophobicContact CD1-CE2 3.94Å; I950-Y980 HydrophobicContact CD1-CG 4.22Å; I950-Y980 HydrophobicContact CG1-CD2 4.34Å; I950-Y980 HydrophobicContact CG1-CE2 4.05Å; I950-Y980 HydrophobicContact CG2-CE2 3.62Å; I950-Y980 WeakPolarHBondContact CG2-OH 3.25Å; E954-Y980 PolarHBondContact OE1-OH 2.85Å; E954-Y980 VanDerWaalsContact OE1-OH 3.07Å; L976-Y980 HydrophobicContact CD2-CE2 4.48Å; L976-Y980 VanDerWaalsContact O-CD2 3.26Å; L976-Y980 WeakPolarHBondContact O-CD2 3.42Å; L976-Y980 PolarHBondContact O-N 2.74Å; S977-Y980 PolarHBondContact O-N 3.38Å; Y980-L983 HydrophobicContact CD1-CD1 4.14Å; Y980-L983 PolarHBondContact O-N 2.75Å; Y980-S989 WeakPolarHBondContact O-CB 3.3Å; Y980-K992 HydrophobicContact CD1-CB 3.92Å; Y980-K992 HydrophobicContact CD1-CD 4.12Å; Y980-K992 HydrophobicContact CE1-CB 4Å; Y980-K992 HydrophobicContact CE1-CD 3.42Å; Y980-K992 VanDerWaalsContact CE1-CD 3.42Å; Y980-K992 HydrophobicContact CE1-CG 4.39Å; Y980-K992 HydrophobicContact CG-CB 4.25Å; Y980-Y996 AromaticContact CD2-CD2 3.78Å; Y980-Y996 HydrophobicContact CD2-CD2 3.78Å; Y980-Y996 AromaticContact CD2-CE2 3.72Å; Y980-Y996 HydrophobicContact CD2-CE2 3.72Å; Y980-Y996 AromaticContact CE2-CD2 3.82Å; Y980-Y996 HydrophobicContact CE2-CD2 3.82Å; Y980-Y996 AromaticContact CE2-CE2 3.24Å; Y980-Y996 HydrophobicContact CE2-CE2 3.24Å; Y980-Y996 AromaticContact CZ-CE2 3.93Å |
| 981 | L | 84.6 | Confident | 81.7 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 171.6 | -67.2 | 173.3 | 0 | 0 | 0 | 112.3 | S977 S978 L979 L983 N984 S993 I1023 L1026 | S977-L981 PolarHBondContact O-N 3.21Å; S978-L981 PolarHBondContact O-N 2.87Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.82Å; L981-L983 VanDerWaalsContact C-N 3.27Å; L981-L983 PolarHBondContact O-N 3.15Å; L981-N984 PolarHBondContact O-N 2.94Å; L981-S993 WeakPolarHBondContact CD2-OG 3.39Å; L981-S993 VanDerWaalsContact CG-OG 3.28Å; L981-S993 WeakPolarHBondContact CG-OG 3.5Å; L981-I1023 HydrophobicContact CD1-CD1 4.3Å; L981-I1023 HydrophobicContact CD1-CG1 3.98Å; L981-I1023 HydrophobicContact CD2-CG1 4.13Å; L981-L1026 HydrophobicContact CD2-CD1 4.06Å |
| 982 | S | 83.3 | Confident | 81.7 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.3 | -22.4 | 179.7 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | Y946 S978 L979 N984 | Y946-S982 WeakPolarHBondContact CD1-OG 3.34Å; Y946-S982 WeakPolarHBondContact CE1-OG 3.47Å; S978-S982 PolarHBondContact O-N 3.21Å; L979-S982 PolarHBondContact O-N 2.93Å; L979-S982 VanDerWaalsContact O-N 3.14Å; L979-S982 PolarHBondContact O-OG 2.78Å; S982-N984 PolarHBondContact O-N 2.78Å |
| 983 | L | 79.6 | Confident | 81.6 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.9 | 178.9 | -82.9 | 172.8 | 0 | 0 | 0 | 114.2 | Y946 I950 L979 Y980 L981 T985 | Y946-L983 HydrophobicContact CD2-CD2 4.29Å; Y946-L983 HydrophobicContact CG-CD2 4.44Å; I950-L983 HydrophobicContact CD1-CD1 3.38Å; I950-L983 HydrophobicContact CD1-CG 4.31Å; L979-L983 PolarHBondContact O-N 3.01Å; Y980-L983 HydrophobicContact CD1-CD1 4.14Å; Y980-L983 PolarHBondContact O-N 2.75Å; L981-L983 VanDerWaalsContact C-N 3.27Å; L981-L983 PolarHBondContact O-N 3.15Å; L983-T985 PolarHBondContact O-N 3.25Å |
| 984 | N | 62.9 | Low | 81.5 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | trans | 50.8 | 25.3 | 167.3 | -122.4 | -13.6 | 0 | 0 | 0 | 115.7 | R371 L981 S982 | R371-N984 PolarHBondContact NH2-ND2 2.75Å; L981-N984 PolarHBondContact O-N 2.94Å; S982-N984 PolarHBondContact O-N 2.78Å | ||
| 985 | T | 61.9 | Low | 81.5 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | trans | -99.4 | 102.1 | 174.3 | 37.7 | 0 | 0 | 0 | 0 | 107.9 | L983 S989 | L983-T985 PolarHBondContact O-N 3.25Å; T985-S989 PolarHBondContact O-OG 3.38Å | ||
| 986 | E | 66.1 | Low | 81.6 | Confident | 170 Ų | 170 | 61.2 Ų | 61.2 | 79% | 0.794 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 143.2 | -163.6 | -68.8 | -178.1 | 170.4 | 0 | 0 | 113.9 | R988 | E986-R988 VanDerWaalsContact C-N 3.31Å; E986-R988 PolarHBondContact O-N 2.9Å |
| 987 | N | 64 | Low | 81.6 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -48.2 | 178.9 | -65.9 | -25.3 | 0 | 0 | 0 | 118.2 | R991 | N987-R991 VanDerWaalsContact O-CG 3.31Å; N987-R991 WeakPolarHBondContact O-CG 3.18Å; N987-R991 PolarHBondContact O-N 3.29Å; N987-R991 VanDerWaalsContact O-N 3.1Å |
| 988 | R | 72.2 | Confident | 81.6 | Confident | 208 Ų | 208 | 64.4 Ų | 64.4 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.1 | -42.2 | -176.3 | -172.3 | -174.4 | -110.2 | -176.7 | -1.9 | 112.2 | E986 K992 | E986-R988 VanDerWaalsContact C-N 3.31Å; E986-R988 PolarHBondContact O-N 2.9Å; R988-K992 PolarHBondContact O-N 3.27Å |
| 989 | S | 79.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -40.8 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | Y980 T985 R991 K992 S993 | Y980-S989 WeakPolarHBondContact O-CB 3.3Å; T985-S989 PolarHBondContact O-OG 3.38Å; S989-R991 VanDerWaalsContact C-N 3.32Å; S989-R991 PolarHBondContact O-N 3.47Å; S989-K992 PolarHBondContact O-N 3.3Å; S989-S993 PolarHBondContact O-N 3Å |
| 990 | S | 80.6 | Confident | 81.8 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 174.7 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | S993 L994 I1023 | S990-S993 PolarHBondContact O-N 3.44Å; S990-L994 WeakPolarHBondContact O-CB 3.2Å; S990-L994 PolarHBondContact O-N 3Å; S990-I1023 WeakPolarHBondContact O-CG2 3.43Å |
| 991 | R | 85.3 | Confident | 82 | Confident | 153 Ų | 153 | 64.2 Ų | 64.2 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 174.1 | -76.6 | 179.1 | -179.5 | -171.8 | 0.4 | 112.7 | N987 S989 L994 D995 I1027 | N987-R991 VanDerWaalsContact O-CG 3.31Å; N987-R991 WeakPolarHBondContact O-CG 3.18Å; N987-R991 PolarHBondContact O-N 3.29Å; N987-R991 VanDerWaalsContact O-N 3.1Å; S989-R991 VanDerWaalsContact C-N 3.32Å; S989-R991 PolarHBondContact O-N 3.47Å; R991-L994 WeakPolarHBondContact O-CB 3.21Å; R991-L994 PolarHBondContact O-N 3.18Å; R991-D995 PolarHBondContact O-N 3.5Å; R991-I1027 HydrophobicContact CG-CD1 4.32Å |
| 992 | K | 86.2 | Confident | 82.1 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 174.1 | -76.2 | -171.1 | 169.3 | -164.7 | 0 | 112.2 | Y980 R988 S989 L994 D995 Y996 | Y980-K992 HydrophobicContact CD1-CB 3.92Å; Y980-K992 HydrophobicContact CD1-CD 4.12Å; Y980-K992 HydrophobicContact CE1-CB 4Å; Y980-K992 HydrophobicContact CE1-CD 3.42Å; Y980-K992 VanDerWaalsContact CE1-CD 3.42Å; Y980-K992 HydrophobicContact CE1-CG 4.39Å; Y980-K992 HydrophobicContact CG-CB 4.25Å; R988-K992 PolarHBondContact O-N 3.27Å; S989-K992 PolarHBondContact O-N 3.3Å; K992-L994 VanDerWaalsContact C-N 3.29Å; K992-L994 PolarHBondContact O-N 3.39Å; K992-D995 PolarHBondContact O-N 3.29Å; K992-Y996 WeakPolarHBondContact O-CD2 3.26Å; K992-Y996 PolarHBondContact O-N 3.47Å |
| 993 | S | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 172.7 | 159.3 | 0 | 0 | 0 | 0 | 111.2 | S977 L981 S989 S990 D995 Y996 T997 I1023 | S977-S993 PolarHBondContact O-OG 2.88Å; S977-S993 PolarHBondContact OG-O 2.88Å; S977-S993 PolarHBondContact OG-OG 3.34Å; L981-S993 WeakPolarHBondContact CD2-OG 3.39Å; L981-S993 VanDerWaalsContact CG-OG 3.28Å; L981-S993 WeakPolarHBondContact CG-OG 3.5Å; S989-S993 PolarHBondContact O-N 3Å; S990-S993 PolarHBondContact O-N 3.44Å; S993-D995 PolarHBondContact O-N 3.24Å; S993-Y996 PolarHBondContact O-N 3.28Å; S993-T997 WeakPolarHBondContact O-CB 2.84Å; S993-T997 PolarHBondContact O-N 2.94Å; S993-T997 PolarHBondContact O-OG1 3.48Å; S993-I1023 VanDerWaalsContact OG-CD1 3.28Å; S993-I1023 WeakPolarHBondContact OG-CD1 3.49Å |
| 994 | L | 90.1 | Very high | 82.4 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.1 | -176.7 | 66.8 | 0 | 0 | 0 | 111.6 | S990 R991 K992 Y996 T997 K998 V1020 I1023 Y1024 I1027 | S990-L994 WeakPolarHBondContact O-CB 3.2Å; S990-L994 PolarHBondContact O-N 3Å; R991-L994 WeakPolarHBondContact O-CB 3.21Å; R991-L994 PolarHBondContact O-N 3.18Å; K992-L994 VanDerWaalsContact C-N 3.29Å; K992-L994 PolarHBondContact O-N 3.39Å; L994-Y996 PolarHBondContact O-N 3.06Å; L994-T997 PolarHBondContact O-N 3.34Å; L994-K998 HydrophobicContact CD1-CG 4.48Å; L994-K998 HydrophobicContact CG-CD 4.27Å; L994-K998 WeakPolarHBondContact O-CB 3.32Å; L994-K998 WeakPolarHBondContact O-CG 3.47Å; L994-K998 PolarHBondContact O-N 2.91Å; L994-V1020 HydrophobicContact CD1-CG1 3.7Å; L994-I1023 HydrophobicContact CB-CG2 3.85Å; L994-I1023 HydrophobicContact CD1-CB 4.33Å; L994-I1023 HydrophobicContact CD1-CG2 4.08Å; L994-Y1024 HydrophobicContact CD1-CD2 4.04Å; L994-Y1024 HydrophobicContact CD1-CE1 4.46Å; L994-Y1024 HydrophobicContact CD1-CE2 3.77Å; L994-Y1024 HydrophobicContact CD2-CD1 4.32Å; L994-Y1024 HydrophobicContact CD2-CE1 3.69Å; L994-Y1024 HydrophobicContact CD2-CE2 4.33Å; L994-I1027 HydrophobicContact CB-CD1 4.31Å; L994-I1027 HydrophobicContact CD2-CD1 3.99Å |
| 995 | D | 89.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 178.5 | -68.1 | -26.4 | 0 | 0 | 0 | 111.7 | R991 K992 S993 K998 Q999 | R991-D995 PolarHBondContact O-N 3.5Å; K992-D995 PolarHBondContact O-N 3.29Å; S993-D995 PolarHBondContact O-N 3.24Å; D995-K998 PolarHBondContact O-N 3.26Å; D995-Q999 WeakPolarHBondContact O-CG 3.49Å; D995-Q999 PolarHBondContact O-N 3.17Å |
| 996 | Y | 91.4 | Very high | 84.1 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.2 | -71.1 | -53.2 | 0 | 0 | 0 | 112.8 | E954 L973 L976 Y980 K992 S993 L994 K998 Q999 S1000 | E954-Y996 PolarHBondContact OE1-OH 3.21Å; L973-Y996 HydrophobicContact CD2-CD1 3.46Å; L973-Y996 VanDerWaalsContact CD2-CD1 3.46Å; L973-Y996 HydrophobicContact CD2-CE1 4.12Å; L973-Y996 HydrophobicContact CD2-CG 4.35Å; L976-Y996 HydrophobicContact CB-CD2 4.21Å; L976-Y996 HydrophobicContact CB-CG 4.29Å; L976-Y996 HydrophobicContact CD1-CD1 4.4Å; L976-Y996 HydrophobicContact CD1-CE1 4.19Å; Y980-Y996 AromaticContact CD2-CD2 3.78Å; Y980-Y996 HydrophobicContact CD2-CD2 3.78Å; Y980-Y996 AromaticContact CD2-CE2 3.72Å; Y980-Y996 HydrophobicContact CD2-CE2 3.72Å; Y980-Y996 AromaticContact CE2-CD2 3.82Å; Y980-Y996 HydrophobicContact CE2-CD2 3.82Å; Y980-Y996 AromaticContact CE2-CE2 3.24Å; Y980-Y996 HydrophobicContact CE2-CE2 3.24Å; Y980-Y996 AromaticContact CZ-CE2 3.93Å; K992-Y996 WeakPolarHBondContact O-CD2 3.26Å; K992-Y996 PolarHBondContact O-N 3.47Å; S993-Y996 PolarHBondContact O-N 3.28Å; L994-Y996 PolarHBondContact O-N 3.06Å; Y996-K998 VanDerWaalsContact C-N 3.33Å; Y996-K998 PolarHBondContact O-N 3.26Å; Y996-Q999 PolarHBondContact O-N 2.85Å; Y996-S1000 PolarHBondContact O-N 3.44Å |
| 997 | T | 91.6 | Very high | 84.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.8 | -45.4 | 0 | 0 | 0 | 0 | 111 | S977 S993 L994 S1000 L1001 Q1019 V1020 I1023 | S977-T997 VanDerWaalsContact CB-OG1 3.26Å; S977-T997 WeakPolarHBondContact CB-OG1 3.45Å; S977-T997 PolarHBondContact OG-OG1 2.88Å; S993-T997 WeakPolarHBondContact O-CB 2.84Å; S993-T997 PolarHBondContact O-N 2.94Å; S993-T997 PolarHBondContact O-OG1 3.48Å; L994-T997 PolarHBondContact O-N 3.34Å; T997-S1000 PolarHBondContact O-N 3.44Å; T997-L1001 VanDerWaalsContact O-CB 3.29Å; T997-L1001 WeakPolarHBondContact O-CB 3.35Å; T997-L1001 PolarHBondContact O-N 3.45Å; T997-Q1019 HydrophobicContact CG2-CB 3.96Å; T997-V1020 HydrophobicContact CG2-CG2 3.49Å; T997-V1020 VanDerWaalsContact CG2-CG2 3.49Å; T997-I1023 HydrophobicContact CG2-CD1 4.2Å; T997-I1023 WeakPolarHBondContact OG1-CD1 3.5Å |
| 998 | K | 91.1 | Very high | 85.1 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 174.2 | -77.3 | 180 | 175.5 | -178.2 | 0 | 112.6 | L994 D995 Y996 R1002 V1020 Y1024 | L994-K998 HydrophobicContact CD1-CG 4.48Å; L994-K998 HydrophobicContact CG-CD 4.27Å; L994-K998 WeakPolarHBondContact O-CB 3.32Å; L994-K998 WeakPolarHBondContact O-CG 3.47Å; L994-K998 PolarHBondContact O-N 2.91Å; D995-K998 PolarHBondContact O-N 3.26Å; Y996-K998 VanDerWaalsContact C-N 3.33Å; Y996-K998 PolarHBondContact O-N 3.26Å; K998-R1002 WeakPolarHBondContact O-CB 3.34Å; K998-R1002 PolarHBondContact O-N 3.31Å; K998-V1020 HydrophobicContact CG-CG2 4.39Å; K998-Y1024 WeakPolarHBondContact CE-OH 3.38Å; K998-Y1024 PolarHBondContact NZ-OH 3.44Å |
| 999 | Q | 90.6 | Very high | 85.5 | Confident | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.9 | -71.9 | 174.6 | 38.5 | 0 | 0 | 111.2 | L973 D995 Y996 R1002 I1003 | L973-Q999 HydrophobicContact CD1-CB 3.83Å; L973-Q999 HydrophobicContact CD2-CB 4.35Å; D995-Q999 WeakPolarHBondContact O-CG 3.49Å; D995-Q999 PolarHBondContact O-N 3.17Å; Y996-Q999 PolarHBondContact O-N 2.85Å; Q999-R1002 WeakPolarHBondContact O-CB 3.49Å; Q999-R1002 PolarHBondContact O-N 3.35Å; Q999-I1003 WeakPolarHBondContact O-CG1 3.11Å; Q999-I1003 PolarHBondContact O-N 3.43Å; Q999-I1003 VanDerWaalsContact O-N 3.09Å |
| 1000 | S | 91.2 | Very high | 85.7 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 112 | G970 Y996 T997 R1002 I1003 S1004 | G970-S1000 PolarHBondContact O-OG 2.85Å; Y996-S1000 PolarHBondContact O-N 3.44Å; T997-S1000 PolarHBondContact O-N 3.44Å; S1000-R1002 VanDerWaalsContact C-N 3.32Å; S1000-R1002 PolarHBondContact O-N 3.17Å; S1000-I1003 CarbonylContact O-C 3.59Å; S1000-I1003 WeakPolarHBondContact O-CA 3.27Å; S1000-I1003 WeakPolarHBondContact O-CB 3.29Å; S1000-I1003 PolarHBondContact O-N 2.94Å; S1000-S1004 PolarHBondContact O-N 3.24Å; S1000-S1004 PolarHBondContact O-OG 3.21Å |
| 1001 | L | 90.7 | Very high | 86 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 174.1 | 174.2 | 61.6 | 0 | 0 | 0 | 111.9 | T997 I1003 S1004 I1005 E1013 T1016 W1017 V1020 | T997-L1001 VanDerWaalsContact O-CB 3.29Å; T997-L1001 WeakPolarHBondContact O-CB 3.35Å; T997-L1001 PolarHBondContact O-N 3.45Å; L1001-I1003 VanDerWaalsContact C-N 3.27Å; L1001-I1003 PolarHBondContact O-N 3.21Å; L1001-S1004 WeakPolarHBondContact CA-OG 3.17Å; L1001-S1004 PolarHBondContact O-N 2.92Å; L1001-S1004 PolarHBondContact O-OG 2.8Å; L1001-I1005 HydrophobicContact CD1-CD1 3.97Å; L1001-I1005 HydrophobicContact CD1-CG1 4.22Å; L1001-I1005 HydrophobicContact CG-CD1 3.97Å; L1001-I1005 WeakPolarHBondContact O-CB 3.33Å; L1001-I1005 WeakPolarHBondContact O-CD1 3.34Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.31Å; L1001-I1005 PolarHBondContact O-N 2.81Å; L1001-E1013 HydrophobicContact CD1-CG 4.33Å; L1001-T1016 WeakPolarHBondContact CD1-OG1 3.4Å; L1001-W1017 HydrophobicContact CD1-CD2 3.9Å; L1001-W1017 HydrophobicContact CD1-CG 3.89Å; L1001-W1017 HydrophobicContact CD1-CZ2 4.25Å; L1001-W1017 HydrophobicContact CD2-CD2 3.77Å; L1001-W1017 HydrophobicContact CD2-CE3 3.8Å; L1001-W1017 HydrophobicContact CD2-CG 4.43Å; L1001-W1017 HydrophobicContact CD2-CH2 3.9Å; L1001-W1017 HydrophobicContact CD2-CZ2 3.93Å; L1001-W1017 HydrophobicContact CD2-CZ3 3.88Å; L1001-W1017 HydrophobicContact CG-CD2 4.47Å; L1001-W1017 HydrophobicContact CG-CZ2 4.41Å; L1001-V1020 HydrophobicContact CD2-CG2 4.25Å |
| 1002 | R | 86.4 | Confident | 86 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.4 | -176.3 | 179.8 | -179.5 | 179.4 | 2.2 | 110.9 | K998 Q999 S1000 I1005 D1006 | K998-R1002 WeakPolarHBondContact O-CB 3.34Å; K998-R1002 PolarHBondContact O-N 3.31Å; Q999-R1002 WeakPolarHBondContact O-CB 3.49Å; Q999-R1002 PolarHBondContact O-N 3.35Å; S1000-R1002 VanDerWaalsContact C-N 3.32Å; S1000-R1002 PolarHBondContact O-N 3.17Å; R1002-I1005 PolarHBondContact O-N 2.91Å; R1002-D1006 WeakPolarHBondContact O-CB 3.01Å; R1002-D1006 PolarHBondContact O-N 2.86Å |
| 1003 | I | 84.4 | Confident | 86.2 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 178.1 | -69.2 | 171.2 | 0 | 0 | 0 | 111.8 | K966 E969 L973 Q999 S1000 L1001 I1005 D1006 L1007 | K966-I1003 HydrophobicContact CB-CG2 4.29Å; K966-I1003 WeakPolarHBondContact O-CG2 3.38Å; E969-I1003 HydrophobicContact CB-CD1 4.06Å; E969-I1003 HydrophobicContact CG-CD1 3.75Å; L973-I1003 HydrophobicContact CD1-CD1 3.64Å; Q999-I1003 WeakPolarHBondContact O-CG1 3.11Å; Q999-I1003 PolarHBondContact O-N 3.43Å; Q999-I1003 VanDerWaalsContact O-N 3.09Å; S1000-I1003 CarbonylContact O-C 3.59Å; S1000-I1003 WeakPolarHBondContact O-CA 3.27Å; S1000-I1003 WeakPolarHBondContact O-CB 3.29Å; S1000-I1003 PolarHBondContact O-N 2.94Å; L1001-I1003 VanDerWaalsContact C-N 3.27Å; L1001-I1003 PolarHBondContact O-N 3.21Å; I1003-I1005 VanDerWaalsContact C-N 3.34Å; I1003-D1006 CarbonylContact O-C 3.47Å; I1003-D1006 PolarHBondContact O-N 3.04Å; I1003-L1007 HydrophobicContact CG2-CD1 3.81Å; I1003-L1007 HydrophobicContact CG2-CG 4.21Å; I1003-L1007 WeakPolarHBondContact O-CB 3.33Å; I1003-L1007 VanDerWaalsContact O-CG 3.29Å; I1003-L1007 WeakPolarHBondContact O-CG 3.3Å; I1003-L1007 PolarHBondContact O-N 2.85Å |
| 1004 | S | 85.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 178.7 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | S1000 L1001 L1007 G1008 K1009 E1013 T1016 | S1000-S1004 PolarHBondContact O-N 3.24Å; S1000-S1004 PolarHBondContact O-OG 3.21Å; L1001-S1004 WeakPolarHBondContact CA-OG 3.17Å; L1001-S1004 PolarHBondContact O-N 2.92Å; L1001-S1004 PolarHBondContact O-OG 2.8Å; S1004-L1007 PolarHBondContact O-N 3.2Å; S1004-G1008 PolarHBondContact O-N 3.47Å; S1004-G1008 VanDerWaalsContact O-N 3.15Å; S1004-K1009 PolarHBondContact O-N 3.27Å; S1004-K1009 VanDerWaalsContact O-N 3.15Å; S1004-E1013 WeakPolarHBondContact OG-CA 3.43Å; S1004-T1016 PolarHBondContact OG-OG1 3.44Å |
| 1005 | I | 82.3 | Confident | 86.3 | Confident | 62 Ų | 62 | 48 Ų | 48 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61 | -48.1 | 168.7 | -65.6 | 165.6 | 0 | 0 | 0 | 110.1 | L1001 R1002 I1003 L1007 G1008 E1013 W1017 | L1001-I1005 HydrophobicContact CD1-CD1 3.97Å; L1001-I1005 HydrophobicContact CD1-CG1 4.22Å; L1001-I1005 HydrophobicContact CG-CD1 3.97Å; L1001-I1005 WeakPolarHBondContact O-CB 3.33Å; L1001-I1005 WeakPolarHBondContact O-CD1 3.34Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.31Å; L1001-I1005 PolarHBondContact O-N 2.81Å; R1002-I1005 PolarHBondContact O-N 2.91Å; I1003-I1005 VanDerWaalsContact C-N 3.34Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 2.84Å; I1005-G1008 PolarHBondContact O-N 2.98Å; I1005-E1013 HydrophobicContact CG1-CG 3.8Å; I1005-W1017 HydrophobicContact CD1-CZ2 3.94Å |
| 1006 | D | 77.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.4 | -33.3 | -179.7 | -67.6 | -18.3 | 0 | 0 | 0 | 111.7 | R41 R1002 I1003 G1008 | R41-D1006 HydrophobicContact CB-CB 4.12Å; R41-D1006 WeakPolarHBondContact CB-O 3.37Å; R41-D1006 WeakPolarHBondContact CD-O 3.42Å; R1002-D1006 WeakPolarHBondContact O-CB 3.01Å; R1002-D1006 PolarHBondContact O-N 2.86Å; I1003-D1006 CarbonylContact O-C 3.47Å; I1003-D1006 PolarHBondContact O-N 3.04Å; D1006-G1008 VanDerWaalsContact C-N 3.3Å; D1006-G1008 PolarHBondContact O-N 2.68Å |
| 1007 | L | 76.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 18% | 0.183 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7 | 176.4 | -66.6 | 175.4 | 0 | 0 | 0 | 113.3 | T38 V42 K966 R967 I1003 S1004 I1005 K1009 | T38-L1007 WeakPolarHBondContact CG2-O 3.36Å; V42-L1007 HydrophobicContact CG2-CD2 4.05Å; K966-L1007 HydrophobicContact CB-CD2 4.35Å; R967-L1007 HydrophobicContact CB-CD1 4.07Å; I1003-L1007 HydrophobicContact CG2-CD1 3.81Å; I1003-L1007 HydrophobicContact CG2-CG 4.21Å; I1003-L1007 WeakPolarHBondContact O-CB 3.33Å; I1003-L1007 VanDerWaalsContact O-CG 3.29Å; I1003-L1007 WeakPolarHBondContact O-CG 3.3Å; I1003-L1007 PolarHBondContact O-N 2.85Å; S1004-L1007 PolarHBondContact O-N 3.2Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 2.84Å; L1007-K1009 HydrophobicContact CB-CD 4.34Å; L1007-K1009 HydrophobicContact CB-CG 4.08Å; L1007-K1009 PolarHBondContact O-N 2.87Å |
| 1008 | G | 75.4 | Confident | 86.7 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 24% | 0.237 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 15.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1004 I1005 D1006 R1010 | S1004-G1008 PolarHBondContact O-N 3.47Å; S1004-G1008 VanDerWaalsContact O-N 3.15Å; I1005-G1008 PolarHBondContact O-N 2.98Å; D1006-G1008 VanDerWaalsContact C-N 3.3Å; D1006-G1008 PolarHBondContact O-N 2.68Å; G1008-R1010 PolarHBondContact O-N 3.48Å; G1008-R1010 VanDerWaalsContact O-N 3.13Å |
| 1009 | K | 81.4 | Confident | 86.7 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | trans | -83.9 | 91.3 | -178.1 | -69.4 | -176.5 | 176.6 | -175.6 | 0 | 110 | S1004 L1007 E1011 E1012 E1013 | S1004-K1009 PolarHBondContact O-N 3.27Å; S1004-K1009 VanDerWaalsContact O-N 3.15Å; L1007-K1009 HydrophobicContact CB-CD 4.34Å; L1007-K1009 HydrophobicContact CB-CG 4.08Å; L1007-K1009 PolarHBondContact O-N 2.87Å; K1009-E1011 VanDerWaalsContact C-N 3.32Å; K1009-E1011 PolarHBondContact O-N 3.13Å; K1009-E1012 HydrophobicContact CB-CB 4.12Å; K1009-E1012 HydrophobicContact CB-CG 4.36Å; K1009-E1012 HydrophobicContact CD-CG 4.26Å; K1009-E1012 VanDerWaalsContact CD-OE1 3.29Å; K1009-E1012 WeakPolarHBondContact CD-OE1 3.3Å; K1009-E1012 WeakPolarHBondContact CD-OE2 3.24Å; K1009-E1012 IonicContact NZ-OE1 2.74Å; K1009-E1012 PolarHBondContact NZ-OE1 2.97Å; K1009-E1012 IonicContact NZ-OE2 2.89Å; K1009-E1012 PolarHBondContact NZ-OE2 2.91Å; K1009-E1012 PolarHBondContact O-N 3.24Å; K1009-E1013 WeakPolarHBondContact O-CB 3.31Å; K1009-E1013 PolarHBondContact O-N 3.04Å | ||
| 1010 | R | 83.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 40.1 Ų | 40.1 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.1 | -35.8 | -173.4 | -63.2 | -65.1 | -172.7 | -172.9 | -4.1 | 114.1 | G1008 E1013 S1014 M1047 | G1008-R1010 PolarHBondContact O-N 3.48Å; G1008-R1010 VanDerWaalsContact O-N 3.13Å; R1010-E1013 WeakPolarHBondContact CD-OE2 3.38Å; R1010-E1013 IonicContact CZ-OE2 2.68Å; R1010-E1013 IonicContact NE-OE2 3.44Å; R1010-E1013 IonicContact NH1-OE1 3.59Å; R1010-E1013 IonicContact NH1-OE2 2.68Å; R1010-E1013 PolarHBondContact NH1-OE2 2.71Å; R1010-S1014 WeakPolarHBondContact O-CB 3.33Å; R1010-S1014 PolarHBondContact O-N 3.31Å; R1010-M1047 VanDerWaalsContact C-SD 3.56Å; R1010-M1047 HydrophobicContact CB-CG 3.74Å; R1010-M1047 HydrophobicContact CB-SD 3.4Å; R1010-M1047 WeakPolarHBondContact CB-SD 3.47Å |
| 1011 | E | 86 | Confident | 86.9 | Confident | 112 Ų | 112 | 39.9 Ų | 39.9 | 52% | 0.523 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -58.3 | 175.5 | -77.7 | 171.3 | -168.3 | 0 | 0 | 110.7 | K1009 E1013 S1014 E1015 M1047 F1052 | K1009-E1011 VanDerWaalsContact C-N 3.32Å; K1009-E1011 PolarHBondContact O-N 3.13Å; E1011-E1013 VanDerWaalsContact C-N 3.28Å; E1011-E1013 PolarHBondContact O-N 3.15Å; E1011-S1014 PolarHBondContact O-N 2.87Å; E1011-S1014 VanDerWaalsContact O-N 3.14Å; E1011-E1015 WeakPolarHBondContact O-CG 3.47Å; E1011-E1015 PolarHBondContact O-N 2.65Å; E1011-M1047 HydrophobicContact CB-SD 4.37Å; E1011-M1047 HydrophobicContact CG-CE 3.37Å; E1011-M1047 HydrophobicContact CG-SD 3.63Å; E1011-M1047 PolarHBondContact N-SD 2.88Å; E1011-F1052 HydrophobicContact CB-CE2 4.43Å; E1011-F1052 HydrophobicContact CB-CZ 4.24Å; E1011-F1052 HydrophobicContact CG-CE2 4.22Å; E1011-F1052 HydrophobicContact CG-CZ 4.2Å |
| 1012 | E | 85.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.4 | -36.3 | 177.6 | -65 | 177.4 | -162.2 | 0 | 0 | 111.5 | K1009 T1016 | K1009-E1012 HydrophobicContact CB-CB 4.12Å; K1009-E1012 HydrophobicContact CB-CG 4.36Å; K1009-E1012 HydrophobicContact CD-CG 4.26Å; K1009-E1012 VanDerWaalsContact CD-OE1 3.29Å; K1009-E1012 WeakPolarHBondContact CD-OE1 3.3Å; K1009-E1012 WeakPolarHBondContact CD-OE2 3.24Å; K1009-E1012 IonicContact NZ-OE1 2.74Å; K1009-E1012 PolarHBondContact NZ-OE1 2.97Å; K1009-E1012 IonicContact NZ-OE2 2.89Å; K1009-E1012 PolarHBondContact NZ-OE2 2.91Å; K1009-E1012 PolarHBondContact O-N 3.24Å; E1012-T1016 WeakPolarHBondContact O-CB 3.37Å; E1012-T1016 VanDerWaalsContact O-CG2 3.27Å; E1012-T1016 WeakPolarHBondContact O-CG2 3.32Å; E1012-T1016 PolarHBondContact O-N 2.9Å; E1012-T1016 PolarHBondContact O-OG1 2.92Å |
| 1013 | E | 89.8 | Confident | 87 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -53.1 | 172.6 | 177.9 | -174.2 | 179.4 | 0 | 0 | 110.9 | L1001 S1004 I1005 K1009 R1010 E1011 E1015 T1016 W1017 T1043 | L1001-E1013 HydrophobicContact CD1-CG 4.33Å; S1004-E1013 WeakPolarHBondContact OG-CA 3.43Å; I1005-E1013 HydrophobicContact CG1-CG 3.8Å; K1009-E1013 WeakPolarHBondContact O-CB 3.31Å; K1009-E1013 PolarHBondContact O-N 3.04Å; R1010-E1013 WeakPolarHBondContact CD-OE2 3.38Å; R1010-E1013 IonicContact CZ-OE2 2.68Å; R1010-E1013 IonicContact NE-OE2 3.44Å; R1010-E1013 IonicContact NH1-OE1 3.59Å; R1010-E1013 IonicContact NH1-OE2 2.68Å; R1010-E1013 PolarHBondContact NH1-OE2 2.71Å; E1011-E1013 VanDerWaalsContact C-N 3.28Å; E1011-E1013 PolarHBondContact O-N 3.15Å; E1013-E1015 PolarHBondContact O-N 3.22Å; E1013-T1016 WeakPolarHBondContact CA-OG1 3.4Å; E1013-T1016 PolarHBondContact O-N 2.85Å; E1013-T1016 PolarHBondContact O-OG1 2.8Å; E1013-W1017 PolarHBondContact O-N 3.43Å; E1013-W1017 PolarHBondContact OE1-NE1 3.21Å; E1013-T1043 HydrophobicContact CG-CG2 4.3Å; E1013-T1043 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1014 | S | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | R1010 E1011 W1017 L1018 A1040 T1043 | R1010-S1014 WeakPolarHBondContact O-CB 3.33Å; R1010-S1014 PolarHBondContact O-N 3.31Å; E1011-S1014 PolarHBondContact O-N 2.87Å; E1011-S1014 VanDerWaalsContact O-N 3.14Å; S1014-W1017 PolarHBondContact O-N 2.81Å; S1014-L1018 PolarHBondContact O-N 3.17Å; S1014-A1040 WeakPolarHBondContact O-CB 3.13Å; S1014-A1040 PolarHBondContact OG-O 3.5Å; S1014-A1040 VanDerWaalsContact OG-O 3.13Å; S1014-T1043 WeakPolarHBondContact CA-OG1 3.43Å; S1014-T1043 WeakPolarHBondContact CB-OG1 3.25Å |
| 1015 | E | 91.1 | Very high | 87.5 | Confident | 87 Ų | 87 | 36.7 Ų | 36.7 | 41% | 0.407 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 177.4 | -70 | 179.9 | 172 | 0 | 0 | 111.8 | E1011 E1013 L1018 Q1019 F1052 I1056 | E1011-E1015 WeakPolarHBondContact O-CG 3.47Å; E1011-E1015 PolarHBondContact O-N 2.65Å; E1013-E1015 PolarHBondContact O-N 3.22Å; E1015-L1018 WeakPolarHBondContact O-CB 3.32Å; E1015-L1018 PolarHBondContact O-N 3.08Å; E1015-Q1019 WeakPolarHBondContact O-CG 3.46Å; E1015-Q1019 PolarHBondContact O-N 3.25Å; E1015-F1052 HydrophobicContact CG-CE2 4.42Å; E1015-F1052 HydrophobicContact CG-CZ 4.27Å; E1015-I1056 HydrophobicContact CG-CD1 4.31Å |
| 1016 | T | 91.3 | Very high | 87.7 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 177.5 | 49 | 0 | 0 | 0 | 0 | 112.4 | L1001 S1004 E1012 E1013 L1018 Q1019 V1020 | L1001-T1016 WeakPolarHBondContact CD1-OG1 3.4Å; S1004-T1016 PolarHBondContact OG-OG1 3.44Å; E1012-T1016 WeakPolarHBondContact O-CB 3.37Å; E1012-T1016 VanDerWaalsContact O-CG2 3.27Å; E1012-T1016 WeakPolarHBondContact O-CG2 3.32Å; E1012-T1016 PolarHBondContact O-N 2.9Å; E1012-T1016 PolarHBondContact O-OG1 2.92Å; E1013-T1016 WeakPolarHBondContact CA-OG1 3.4Å; E1013-T1016 PolarHBondContact O-N 2.85Å; E1013-T1016 PolarHBondContact O-OG1 2.8Å; T1016-L1018 VanDerWaalsContact C-N 3.31Å; T1016-L1018 PolarHBondContact O-N 3.29Å; T1016-Q1019 PolarHBondContact O-N 3.24Å; T1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; T1016-V1020 PolarHBondContact O-N 2.97Å |
| 1017 | W | 94.7 | Very high | 88.2 | Confident | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 169.6 | -79.1 | 116 | 0 | 0 | 0 | 111.6 | L1001 I1005 E1013 S1014 V1020 G1021 Y1036 A1039 A1040 | L1001-W1017 HydrophobicContact CD1-CD2 3.9Å; L1001-W1017 HydrophobicContact CD1-CG 3.89Å; L1001-W1017 HydrophobicContact CD1-CZ2 4.25Å; L1001-W1017 HydrophobicContact CD2-CD2 3.77Å; L1001-W1017 HydrophobicContact CD2-CE3 3.8Å; L1001-W1017 HydrophobicContact CD2-CG 4.43Å; L1001-W1017 HydrophobicContact CD2-CH2 3.9Å; L1001-W1017 HydrophobicContact CD2-CZ2 3.93Å; L1001-W1017 HydrophobicContact CD2-CZ3 3.88Å; L1001-W1017 HydrophobicContact CG-CD2 4.47Å; L1001-W1017 HydrophobicContact CG-CZ2 4.41Å; I1005-W1017 HydrophobicContact CD1-CZ2 3.94Å; E1013-W1017 PolarHBondContact O-N 3.43Å; E1013-W1017 PolarHBondContact OE1-NE1 3.21Å; S1014-W1017 PolarHBondContact O-N 2.81Å; W1017-V1020 PolarHBondContact O-N 2.87Å; W1017-G1021 PolarHBondContact O-N 3.35Å; W1017-Y1036 AromaticContact CE3-CD1 3.23Å; W1017-Y1036 HydrophobicContact CE3-CD1 3.23Å; W1017-Y1036 AromaticContact CE3-CE1 3.76Å; W1017-Y1036 HydrophobicContact CE3-CE1 3.76Å; W1017-Y1036 HydrophobicContact CE3-CG 4.02Å; W1017-Y1036 HydrophobicContact CH2-CE1 4.3Å; W1017-Y1036 AromaticContact CZ3-CD1 3.24Å; W1017-Y1036 HydrophobicContact CZ3-CD1 3.24Å; W1017-Y1036 AromaticContact CZ3-CE1 3.27Å; W1017-Y1036 HydrophobicContact CZ3-CE1 3.27Å; W1017-Y1036 HydrophobicContact CZ3-CG 4.09Å; W1017-A1039 HydrophobicContact CD2-CB 3.92Å; W1017-A1039 HydrophobicContact CE3-CB 3.77Å; W1017-A1039 HydrophobicContact CG-CB 4.33Å; W1017-A1039 HydrophobicContact CZ3-CB 4.23Å; W1017-A1040 HydrophobicContact CB-CB 3.6Å |
| 1018 | L | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 177.8 | -179.7 | 82.9 | 0 | 0 | 0 | 111.6 | S1014 E1015 T1016 G1021 R1022 L1037 A1040 I1056 E1059 A1060 | S1014-L1018 PolarHBondContact O-N 3.17Å; E1015-L1018 WeakPolarHBondContact O-CB 3.32Å; E1015-L1018 PolarHBondContact O-N 3.08Å; T1016-L1018 VanDerWaalsContact C-N 3.31Å; T1016-L1018 PolarHBondContact O-N 3.29Å; L1018-G1021 PolarHBondContact O-N 2.85Å; L1018-R1022 WeakPolarHBondContact O-CG 3.38Å; L1018-R1022 PolarHBondContact O-N 3.15Å; L1018-L1037 HydrophobicContact CD1-CD2 3.61Å; L1018-L1037 HydrophobicContact CG-CD2 4.45Å; L1018-A1040 HydrophobicContact CB-CB 4.04Å; L1018-I1056 HydrophobicContact CD2-CD1 4.36Å; L1018-E1059 HydrophobicContact CD1-CB 4.24Å; L1018-E1059 HydrophobicContact CD2-CB 3.74Å; L1018-E1059 VanDerWaalsContact CD2-OE2 3.24Å; L1018-E1059 WeakPolarHBondContact CD2-OE2 3.29Å; L1018-A1060 HydrophobicContact CD1-CB 3.87Å |
| 1019 | Q | 91.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.5 | -65.1 | -60.2 | -15.2 | 0 | 0 | 112.2 | T997 E1015 T1016 G1021 R1022 I1023 | T997-Q1019 HydrophobicContact CG2-CB 3.96Å; E1015-Q1019 WeakPolarHBondContact O-CG 3.46Å; E1015-Q1019 PolarHBondContact O-N 3.25Å; T1016-Q1019 PolarHBondContact O-N 3.24Å; Q1019-G1021 VanDerWaalsContact C-N 3.34Å; Q1019-G1021 PolarHBondContact O-N 3.42Å; Q1019-R1022 WeakPolarHBondContact O-CB 3.41Å; Q1019-R1022 PolarHBondContact O-N 3.47Å; Q1019-I1023 WeakPolarHBondContact O-CD1 3.47Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.24Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.24Å; Q1019-I1023 PolarHBondContact O-N 2.87Å |
| 1020 | V | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L994 T997 K998 L1001 T1016 W1017 R1022 I1023 Y1024 Y1036 | L994-V1020 HydrophobicContact CD1-CG1 3.7Å; T997-V1020 HydrophobicContact CG2-CG2 3.49Å; T997-V1020 VanDerWaalsContact CG2-CG2 3.49Å; K998-V1020 HydrophobicContact CG-CG2 4.39Å; L1001-V1020 HydrophobicContact CD2-CG2 4.25Å; T1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; T1016-V1020 PolarHBondContact O-N 2.97Å; W1017-V1020 PolarHBondContact O-N 2.87Å; V1020-R1022 VanDerWaalsContact C-N 3.33Å; V1020-R1022 PolarHBondContact O-N 3.4Å; V1020-I1023 PolarHBondContact O-N 3.05Å; V1020-Y1024 HydrophobicContact CG1-CD2 3.56Å; V1020-Y1024 HydrophobicContact CG1-CE2 3.52Å; V1020-Y1024 WeakPolarHBondContact O-CD2 3.05Å; V1020-Y1024 PolarHBondContact O-N 3.4Å; V1020-Y1036 HydrophobicContact CB-CD1 3.7Å; V1020-Y1036 HydrophobicContact CB-CE1 4.19Å; V1020-Y1036 HydrophobicContact CB-CG 4.44Å; V1020-Y1036 HydrophobicContact CG1-CD1 3.18Å; V1020-Y1036 HydrophobicContact CG1-CD2 4.49Å; V1020-Y1036 HydrophobicContact CG1-CE1 3.36Å; V1020-Y1036 HydrophobicContact CG1-CG 3.83Å |
| 1021 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1017 L1018 Q1019 I1023 Y1024 Y1025 A1033 | W1017-G1021 PolarHBondContact O-N 3.35Å; L1018-G1021 PolarHBondContact O-N 2.85Å; Q1019-G1021 VanDerWaalsContact C-N 3.34Å; Q1019-G1021 PolarHBondContact O-N 3.42Å; G1021-I1023 PolarHBondContact O-N 3.4Å; G1021-Y1024 PolarHBondContact O-N 2.97Å; G1021-Y1025 PolarHBondContact O-N 2.96Å; G1021-A1033 WeakPolarHBondContact O-CB 3.22Å |
| 1022 | R | 90.6 | Very high | 90 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 173.6 | -73.6 | 169.6 | 174.6 | 172.8 | -1.9 | 112.3 | L1018 Q1019 V1020 Y1025 L1026 E1059 V1063 | L1018-R1022 WeakPolarHBondContact O-CG 3.38Å; L1018-R1022 PolarHBondContact O-N 3.15Å; Q1019-R1022 WeakPolarHBondContact O-CB 3.41Å; Q1019-R1022 PolarHBondContact O-N 3.47Å; V1020-R1022 VanDerWaalsContact C-N 3.33Å; V1020-R1022 PolarHBondContact O-N 3.4Å; R1022-Y1025 PolarHBondContact O-N 2.98Å; R1022-L1026 WeakPolarHBondContact O-CG 3.43Å; R1022-L1026 PolarHBondContact O-N 3.49Å; R1022-E1059 IonicContact CZ-OE2 2.97Å; R1022-E1059 IonicContact NH1-OE2 3.33Å; R1022-E1059 PolarHBondContact NH1-OE2 3.15Å; R1022-E1059 IonicContact NH2-OE2 3.55Å; R1022-E1059 PolarHBondContact NH2-OE2 2.66Å; R1022-V1063 HydrophobicContact CG-CB 4.46Å; R1022-V1063 HydrophobicContact CG-CG1 4.16Å; R1022-V1063 HydrophobicContact CG-CG2 3.45Å; R1022-V1063 VanDerWaalsContact CG-CG2 3.45Å |
| 1023 | I | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68 | -41 | -178.6 | -62.9 | 161.9 | 0 | 0 | 0 | 111 | L981 S990 S993 L994 T997 Q1019 V1020 G1021 Y1025 L1026 I1027 | L981-I1023 HydrophobicContact CD1-CD1 4.3Å; L981-I1023 HydrophobicContact CD1-CG1 3.98Å; L981-I1023 HydrophobicContact CD2-CG1 4.13Å; S990-I1023 WeakPolarHBondContact O-CG2 3.43Å; S993-I1023 VanDerWaalsContact OG-CD1 3.28Å; S993-I1023 WeakPolarHBondContact OG-CD1 3.49Å; L994-I1023 HydrophobicContact CB-CG2 3.85Å; L994-I1023 HydrophobicContact CD1-CB 4.33Å; L994-I1023 HydrophobicContact CD1-CG2 4.08Å; T997-I1023 HydrophobicContact CG2-CD1 4.2Å; T997-I1023 WeakPolarHBondContact OG1-CD1 3.5Å; Q1019-I1023 WeakPolarHBondContact O-CD1 3.47Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.24Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.24Å; Q1019-I1023 PolarHBondContact O-N 2.87Å; V1020-I1023 PolarHBondContact O-N 3.05Å; G1021-I1023 PolarHBondContact O-N 3.4Å; I1023-Y1025 VanDerWaalsContact C-N 3.32Å; I1023-Y1025 PolarHBondContact O-N 3.25Å; I1023-L1026 WeakPolarHBondContact O-CB 3.1Å; I1023-L1026 PolarHBondContact O-N 2.8Å; I1023-L1026 VanDerWaalsContact O-N 3.11Å; I1023-I1027 HydrophobicContact CG2-CD1 3.77Å; I1023-I1027 HydrophobicContact CG2-CG1 4.38Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.47Å; I1023-I1027 PolarHBondContact O-N 3.33Å |
| 1024 | Y | 90.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.7 | -87.5 | -59.8 | 0 | 0 | 0 | 112.5 | L994 K998 V1020 G1021 L1026 I1027 Q1028 E1029 L1032 Y1036 | L994-Y1024 HydrophobicContact CD1-CD2 4.04Å; L994-Y1024 HydrophobicContact CD1-CE1 4.46Å; L994-Y1024 HydrophobicContact CD1-CE2 3.77Å; L994-Y1024 HydrophobicContact CD2-CD1 4.32Å; L994-Y1024 HydrophobicContact CD2-CE1 3.69Å; L994-Y1024 HydrophobicContact CD2-CE2 4.33Å; K998-Y1024 WeakPolarHBondContact CE-OH 3.38Å; K998-Y1024 PolarHBondContact NZ-OH 3.44Å; V1020-Y1024 HydrophobicContact CG1-CD2 3.56Å; V1020-Y1024 HydrophobicContact CG1-CE2 3.52Å; V1020-Y1024 WeakPolarHBondContact O-CD2 3.05Å; V1020-Y1024 PolarHBondContact O-N 3.4Å; G1021-Y1024 PolarHBondContact O-N 2.97Å; Y1024-L1026 VanDerWaalsContact C-N 3.31Å; Y1024-L1026 PolarHBondContact O-N 2.79Å; Y1024-I1027 PolarHBondContact O-N 3.27Å; Y1024-Q1028 PolarHBondContact O-N 3.02Å; Y1024-Q1028 VanDerWaalsContact O-N 3.14Å; Y1024-E1029 HydrophobicContact CD1-CB 4.05Å; Y1024-E1029 VanDerWaalsContact CD1-OE2 3.3Å; Y1024-E1029 WeakPolarHBondContact CD1-OE2 3.46Å; Y1024-E1029 WeakPolarHBondContact CE1-OE2 3.11Å; Y1024-E1029 PolarHBondContact O-N 3.46Å; Y1024-L1032 HydrophobicContact CD1-CB 3.92Å; Y1024-L1032 HydrophobicContact CD1-CD1 4.27Å; Y1024-L1032 HydrophobicContact CD2-CB 4.22Å; Y1024-L1032 HydrophobicContact CE1-CB 4.15Å; Y1024-L1032 HydrophobicContact CE1-CD1 3.86Å; Y1024-L1032 HydrophobicContact CE2-CB 4.44Å; Y1024-L1032 HydrophobicContact CG-CB 3.94Å; Y1024-Y1036 HydrophobicContact CD2-CD2 4.03Å; Y1024-Y1036 HydrophobicContact CD2-CE2 4.13Å; Y1024-Y1036 HydrophobicContact CD2-CG 4.36Å; Y1024-Y1036 AromaticContact CE2-CD2 3.92Å; Y1024-Y1036 HydrophobicContact CE2-CD2 3.92Å; Y1024-Y1036 HydrophobicContact CE2-CE1 4.27Å; Y1024-Y1036 AromaticContact CE2-CE2 3.53Å; Y1024-Y1036 HydrophobicContact CE2-CE2 3.53Å; Y1024-Y1036 HydrophobicContact CE2-CG 4.42Å; Y1024-Y1036 AromaticContact CE2-CZ 3.74Å |
| 1025 | Y | 89.2 | Confident | 90.4 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 172.2 | -178.6 | -105.3 | 0 | 0 | 0 | 111 | G1021 R1022 I1023 I1027 Q1028 V1063 Y1064 G1067 H1068 R1069 | G1021-Y1025 PolarHBondContact O-N 2.96Å; R1022-Y1025 PolarHBondContact O-N 2.98Å; I1023-Y1025 VanDerWaalsContact C-N 3.32Å; I1023-Y1025 PolarHBondContact O-N 3.25Å; Y1025-I1027 VanDerWaalsContact C-N 3.34Å; Y1025-I1027 PolarHBondContact O-N 2.99Å; Y1025-Q1028 PolarHBondContact O-N 2.76Å; Y1025-Q1028 VanDerWaalsContact O-N 3.14Å; Y1025-V1063 HydrophobicContact CD1-CG1 3.9Å; Y1025-V1063 HydrophobicContact CG-CG1 3.94Å; Y1025-Y1064 HydrophobicContact CD2-CD1 4.16Å; Y1025-Y1064 AromaticContact CD2-CE1 3.98Å; Y1025-Y1064 HydrophobicContact CD2-CE1 3.98Å; Y1025-Y1064 AromaticContact CE2-CD1 3.99Å; Y1025-Y1064 HydrophobicContact CE2-CD1 3.99Å; Y1025-Y1064 HydrophobicContact CE2-CE1 4.18Å; Y1025-G1067 WeakPolarHBondContact OH-CA 3.28Å; Y1025-H1068 PolarHBondContact OH-N 3.36Å; Y1025-R1069 HydrophobicContact CE2-CB 4.22Å; Y1025-R1069 PolarHBondContact O-NH2 3.26Å; Y1025-R1069 PolarHBondContact OH-N 2.92Å; Y1025-R1069 VanDerWaalsContact OH-N 3.08Å; Y1025-R1069 PolarHBondContact OH-O 2.68Å |
| 1026 | L | 86.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -33.5 | 174.8 | -67.6 | 172.7 | 0 | 0 | 0 | 113.7 | L981 R1022 I1023 Y1024 Q1028 | L981-L1026 HydrophobicContact CD2-CD1 4.06Å; R1022-L1026 WeakPolarHBondContact O-CG 3.43Å; R1022-L1026 PolarHBondContact O-N 3.49Å; I1023-L1026 WeakPolarHBondContact O-CB 3.1Å; I1023-L1026 PolarHBondContact O-N 2.8Å; I1023-L1026 VanDerWaalsContact O-N 3.11Å; Y1024-L1026 VanDerWaalsContact C-N 3.31Å; Y1024-L1026 PolarHBondContact O-N 2.79Å; L1026-Q1028 PolarHBondContact O-N 2.83Å |
| 1027 | I | 87.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.4 | -7.3 | 176.8 | -65.9 | 168 | 0 | 0 | 0 | 112.3 | R991 L994 I1023 Y1024 Y1025 E1029 | R991-I1027 HydrophobicContact CG-CD1 4.32Å; L994-I1027 HydrophobicContact CB-CD1 4.31Å; L994-I1027 HydrophobicContact CD2-CD1 3.99Å; I1023-I1027 HydrophobicContact CG2-CD1 3.77Å; I1023-I1027 HydrophobicContact CG2-CG1 4.38Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.47Å; I1023-I1027 PolarHBondContact O-N 3.33Å; Y1024-I1027 PolarHBondContact O-N 3.27Å; Y1025-I1027 VanDerWaalsContact C-N 3.34Å; Y1025-I1027 PolarHBondContact O-N 2.99Å; I1027-E1029 HydrophobicContact CG2-CG 4.3Å |
| 1028 | Q | 87.2 | Confident | 90.5 | Very high | 134 Ų | 134 | 49.7 Ų | 49.7 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 27.1 | -178.5 | -43.8 | -178.5 | 0.1 | 0 | 0 | 114.8 | Y1024 Y1025 L1026 | Y1024-Q1028 PolarHBondContact O-N 3.02Å; Y1024-Q1028 VanDerWaalsContact O-N 3.14Å; Y1025-Q1028 PolarHBondContact O-N 2.76Å; Y1025-Q1028 VanDerWaalsContact O-N 3.14Å; L1026-Q1028 PolarHBondContact O-N 2.83Å |
| 1029 | E | 88.4 | Confident | 90.5 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -106.1 | 75.1 | 174.4 | -68.3 | 178.7 | -175.1 | 0 | 0 | 110.1 | Y1024 I1027 E1031 L1032 A1033 | Y1024-E1029 HydrophobicContact CD1-CB 4.05Å; Y1024-E1029 VanDerWaalsContact CD1-OE2 3.3Å; Y1024-E1029 WeakPolarHBondContact CD1-OE2 3.46Å; Y1024-E1029 WeakPolarHBondContact CE1-OE2 3.11Å; Y1024-E1029 PolarHBondContact O-N 3.46Å; I1027-E1029 HydrophobicContact CG2-CG 4.3Å; E1029-E1031 VanDerWaalsContact C-N 3.35Å; E1029-E1031 PolarHBondContact O-N 3.27Å; E1029-L1032 HydrophobicContact CB-CB 4.3Å; E1029-L1032 HydrophobicContact CB-CD1 4.2Å; E1029-L1032 PolarHBondContact O-N 2.93Å; E1029-L1032 WeakPolarHBondContact OE2-CD1 3.42Å; E1029-A1033 PolarHBondContact O-N 3.26Å | ||
| 1030 | D | 85.9 | Confident | 90.6 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -30.4 | -167.5 | -60.5 | -15.5 | 0 | 0 | 0 | 113.6 | A1033 D1034 R1069 N1070 | D1030-A1033 WeakPolarHBondContact O-CB 3.42Å; D1030-A1033 PolarHBondContact O-N 3.07Å; D1030-D1034 PolarHBondContact O-N 3.45Å; D1030-R1069 IonicContact OD1-CZ 2.86Å; D1030-R1069 IonicContact OD1-NH1 3.36Å; D1030-R1069 PolarHBondContact OD1-NH1 2.87Å; D1030-R1069 IonicContact OD1-NH2 3.4Å; D1030-R1069 IonicContact OD2-NH1 3.62Å; D1030-R1069 PolarHBondContact OD2-NH1 2.65Å; D1030-N1070 PolarHBondContact OD2-ND2 3.17Å |
| 1031 | E | 87.9 | Confident | 90.6 | Very high | 172 Ų | 172 | 48.5 Ų | 48.5 | 80% | 0.804 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.1 | -43.3 | 175.2 | -66 | 179.1 | -177.3 | 0 | 0 | 111.9 | E1029 A1033 D1034 M1035 | E1029-E1031 VanDerWaalsContact C-N 3.35Å; E1029-E1031 PolarHBondContact O-N 3.27Å; E1031-A1033 VanDerWaalsContact C-N 3.35Å; E1031-D1034 PolarHBondContact O-N 2.85Å; E1031-M1035 WeakPolarHBondContact O-CG 3.23Å; E1031-M1035 PolarHBondContact O-N 3.19Å; E1031-M1035 VanDerWaalsContact O-N 3.16Å |
| 1032 | L | 90.4 | Very high | 90.6 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 175.4 | -78 | 161.4 | 0 | 0 | 0 | 110.3 | Y1024 E1029 D1034 M1035 Y1036 | Y1024-L1032 HydrophobicContact CD1-CB 3.92Å; Y1024-L1032 HydrophobicContact CD1-CD1 4.27Å; Y1024-L1032 HydrophobicContact CD2-CB 4.22Å; Y1024-L1032 HydrophobicContact CE1-CB 4.15Å; Y1024-L1032 HydrophobicContact CE1-CD1 3.86Å; Y1024-L1032 HydrophobicContact CE2-CB 4.44Å; Y1024-L1032 HydrophobicContact CG-CB 3.94Å; E1029-L1032 HydrophobicContact CB-CB 4.3Å; E1029-L1032 HydrophobicContact CB-CD1 4.2Å; E1029-L1032 PolarHBondContact O-N 2.93Å; E1029-L1032 WeakPolarHBondContact OE2-CD1 3.42Å; L1032-D1034 VanDerWaalsContact C-N 3.32Å; L1032-D1034 PolarHBondContact O-N 2.98Å; L1032-M1035 HydrophobicContact CD2-CE 3.42Å; L1032-M1035 VanDerWaalsContact CD2-CE 3.42Å; L1032-M1035 HydrophobicContact CG-CE 4.33Å; L1032-M1035 PolarHBondContact O-N 3.4Å; L1032-Y1036 HydrophobicContact CD2-CE2 4.13Å; L1032-Y1036 WeakPolarHBondContact O-CD2 3.48Å; L1032-Y1036 PolarHBondContact O-N 3.25Å; L1032-Y1036 VanDerWaalsContact O-N 3.12Å |
| 1033 | A | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1021 E1029 D1030 E1031 M1035 Y1036 L1037 | G1021-A1033 WeakPolarHBondContact O-CB 3.22Å; E1029-A1033 PolarHBondContact O-N 3.26Å; D1030-A1033 WeakPolarHBondContact O-CB 3.42Å; D1030-A1033 PolarHBondContact O-N 3.07Å; E1031-A1033 VanDerWaalsContact C-N 3.35Å; A1033-M1035 PolarHBondContact O-N 3Å; A1033-Y1036 PolarHBondContact O-N 2.74Å; A1033-L1037 WeakPolarHBondContact O-CB 3.46Å; A1033-L1037 WeakPolarHBondContact O-CG 3.41Å; A1033-L1037 PolarHBondContact O-N 2.9Å |
| 1034 | D | 90.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | -179.3 | -173.7 | 43.3 | 0 | 0 | 0 | 112.1 | D1030 E1031 L1032 Y1036 L1037 Q1038 Y1064 | D1030-D1034 PolarHBondContact O-N 3.45Å; E1031-D1034 PolarHBondContact O-N 2.85Å; L1032-D1034 VanDerWaalsContact C-N 3.32Å; L1032-D1034 PolarHBondContact O-N 2.98Å; D1034-Y1036 VanDerWaalsContact C-N 3.35Å; D1034-Y1036 PolarHBondContact O-N 3.46Å; D1034-L1037 PolarHBondContact O-N 3.29Å; D1034-Q1038 VanDerWaalsContact CG-NE2 3.28Å; D1034-Q1038 WeakPolarHBondContact O-CB 3.49Å; D1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; D1034-Q1038 PolarHBondContact O-N 3.38Å; D1034-Q1038 PolarHBondContact OD1-NE2 3.08Å; D1034-Q1038 VanDerWaalsContact OD1-NE2 3.11Å; D1034-Q1038 PolarHBondContact OD2-NE2 2.71Å; D1034-Y1064 VanDerWaalsContact CA-OH 3.3Å; D1034-Y1064 WeakPolarHBondContact CA-OH 3.19Å; D1034-Y1064 WeakPolarHBondContact CB-OH 3.35Å; D1034-Y1064 PolarHBondContact N-OH 3.25Å; D1034-Y1064 VanDerWaalsContact N-OH 3.17Å |
| 1035 | M | 93.4 | Very high | 90.5 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.6 | -70.5 | -161.6 | -50.1 | 0 | 0 | 113 | E1031 L1032 A1033 A1039 | E1031-M1035 WeakPolarHBondContact O-CG 3.23Å; E1031-M1035 PolarHBondContact O-N 3.19Å; E1031-M1035 VanDerWaalsContact O-N 3.16Å; L1032-M1035 HydrophobicContact CD2-CE 3.42Å; L1032-M1035 VanDerWaalsContact CD2-CE 3.42Å; L1032-M1035 HydrophobicContact CG-CE 4.33Å; L1032-M1035 PolarHBondContact O-N 3.4Å; A1033-M1035 PolarHBondContact O-N 3Å; M1035-A1039 PolarHBondContact O-N 2.86Å |
| 1036 | Y | 93.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.1 | -35.7 | -179.3 | -80.6 | -106.2 | 0 | 0 | 0 | 111.8 | W1017 V1020 Y1024 L1032 A1033 D1034 A1039 A1040 | W1017-Y1036 AromaticContact CE3-CD1 3.23Å; W1017-Y1036 HydrophobicContact CE3-CD1 3.23Å; W1017-Y1036 AromaticContact CE3-CE1 3.76Å; W1017-Y1036 HydrophobicContact CE3-CE1 3.76Å; W1017-Y1036 HydrophobicContact CE3-CG 4.02Å; W1017-Y1036 HydrophobicContact CH2-CE1 4.3Å; W1017-Y1036 AromaticContact CZ3-CD1 3.24Å; W1017-Y1036 HydrophobicContact CZ3-CD1 3.24Å; W1017-Y1036 AromaticContact CZ3-CE1 3.27Å; W1017-Y1036 HydrophobicContact CZ3-CE1 3.27Å; W1017-Y1036 HydrophobicContact CZ3-CG 4.09Å; V1020-Y1036 HydrophobicContact CB-CD1 3.7Å; V1020-Y1036 HydrophobicContact CB-CE1 4.19Å; V1020-Y1036 HydrophobicContact CB-CG 4.44Å; V1020-Y1036 HydrophobicContact CG1-CD1 3.18Å; V1020-Y1036 HydrophobicContact CG1-CD2 4.49Å; V1020-Y1036 HydrophobicContact CG1-CE1 3.36Å; V1020-Y1036 HydrophobicContact CG1-CG 3.83Å; Y1024-Y1036 HydrophobicContact CD2-CD2 4.03Å; Y1024-Y1036 HydrophobicContact CD2-CE2 4.13Å; Y1024-Y1036 HydrophobicContact CD2-CG 4.36Å; Y1024-Y1036 AromaticContact CE2-CD2 3.92Å; Y1024-Y1036 HydrophobicContact CE2-CD2 3.92Å; Y1024-Y1036 HydrophobicContact CE2-CE1 4.27Å; Y1024-Y1036 AromaticContact CE2-CE2 3.53Å; Y1024-Y1036 HydrophobicContact CE2-CE2 3.53Å; Y1024-Y1036 HydrophobicContact CE2-CG 4.42Å; Y1024-Y1036 AromaticContact CE2-CZ 3.74Å; L1032-Y1036 HydrophobicContact CD2-CE2 4.13Å; L1032-Y1036 WeakPolarHBondContact O-CD2 3.48Å; L1032-Y1036 PolarHBondContact O-N 3.25Å; L1032-Y1036 VanDerWaalsContact O-N 3.12Å; A1033-Y1036 PolarHBondContact O-N 2.74Å; D1034-Y1036 VanDerWaalsContact C-N 3.35Å; D1034-Y1036 PolarHBondContact O-N 3.46Å; Y1036-A1039 WeakPolarHBondContact O-CB 3.15Å; Y1036-A1039 PolarHBondContact O-N 3.35Å; Y1036-A1040 PolarHBondContact O-N 2.85Å |
| 1037 | L | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 173.5 | -68.1 | 174 | 0 | 0 | 0 | 111.7 | L1018 A1033 D1034 A1039 A1040 V1041 A1060 V1063 Y1064 F1077 | L1018-L1037 HydrophobicContact CD1-CD2 3.61Å; L1018-L1037 HydrophobicContact CG-CD2 4.45Å; A1033-L1037 WeakPolarHBondContact O-CB 3.46Å; A1033-L1037 WeakPolarHBondContact O-CG 3.41Å; A1033-L1037 PolarHBondContact O-N 2.9Å; D1034-L1037 PolarHBondContact O-N 3.29Å; L1037-A1039 VanDerWaalsContact C-N 3.33Å; L1037-A1039 PolarHBondContact O-N 2.88Å; L1037-A1040 WeakPolarHBondContact O-CB 3.34Å; L1037-A1040 PolarHBondContact O-N 3.33Å; L1037-V1041 PolarHBondContact O-N 2.76Å; L1037-V1041 VanDerWaalsContact O-N 3.08Å; L1037-A1060 HydrophobicContact CB-CB 4.3Å; L1037-A1060 HydrophobicContact CD2-CB 4.08Å; L1037-V1063 HydrophobicContact CD1-CB 4.31Å; L1037-V1063 HydrophobicContact CD1-CG2 4.45Å; L1037-V1063 HydrophobicContact CD2-CG2 4.06Å; L1037-Y1064 HydrophobicContact CD1-CD2 4.2Å; L1037-Y1064 HydrophobicContact CD1-CE2 3.43Å; L1037-Y1064 VanDerWaalsContact CD1-CE2 3.43Å; L1037-F1077 HydrophobicContact CB-CE1 4.38Å; L1037-F1077 HydrophobicContact CB-CZ 4.06Å |
| 1038 | Q | 92.3 | Very high | 89.9 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 173.5 | -70.3 | 177.9 | 17 | 0 | 0 | 112.4 | D1034 V1041 K1042 F1077 | D1034-Q1038 VanDerWaalsContact CG-NE2 3.28Å; D1034-Q1038 WeakPolarHBondContact O-CB 3.49Å; D1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; D1034-Q1038 PolarHBondContact O-N 3.38Å; D1034-Q1038 PolarHBondContact OD1-NE2 3.08Å; D1034-Q1038 VanDerWaalsContact OD1-NE2 3.11Å; D1034-Q1038 PolarHBondContact OD2-NE2 2.71Å; Q1038-V1041 PolarHBondContact O-N 3.26Å; Q1038-K1042 WeakPolarHBondContact O-CB 3.44Å; Q1038-K1042 PolarHBondContact O-N 3.4Å; Q1038-F1077 HydrophobicContact CG-CE1 4.48Å; Q1038-F1077 HydrophobicContact CG-CZ 4.35Å |
| 1039 | A | 93.2 | Very high | 90 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1017 M1035 Y1036 L1037 K1042 T1043 | W1017-A1039 HydrophobicContact CD2-CB 3.92Å; W1017-A1039 HydrophobicContact CE3-CB 3.77Å; W1017-A1039 HydrophobicContact CG-CB 4.33Å; W1017-A1039 HydrophobicContact CZ3-CB 4.23Å; M1035-A1039 PolarHBondContact O-N 2.86Å; Y1036-A1039 WeakPolarHBondContact O-CB 3.15Å; Y1036-A1039 PolarHBondContact O-N 3.35Å; L1037-A1039 VanDerWaalsContact C-N 3.33Å; L1037-A1039 PolarHBondContact O-N 2.88Å; A1039-K1042 PolarHBondContact O-N 3.07Å; A1039-T1043 WeakPolarHBondContact O-CG2 3.45Å; A1039-T1043 PolarHBondContact O-N 2.79Å; A1039-T1043 PolarHBondContact O-OG1 3.15Å |
| 1040 | A | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1014 W1017 L1018 Y1036 L1037 K1042 T1043 A1044 I1056 | S1014-A1040 WeakPolarHBondContact O-CB 3.13Å; S1014-A1040 PolarHBondContact OG-O 3.5Å; S1014-A1040 VanDerWaalsContact OG-O 3.13Å; W1017-A1040 HydrophobicContact CB-CB 3.6Å; L1018-A1040 HydrophobicContact CB-CB 4.04Å; Y1036-A1040 PolarHBondContact O-N 2.85Å; L1037-A1040 WeakPolarHBondContact O-CB 3.34Å; L1037-A1040 PolarHBondContact O-N 3.33Å; A1040-K1042 PolarHBondContact O-N 2.88Å; A1040-T1043 WeakPolarHBondContact CA-OG1 3.29Å; A1040-T1043 PolarHBondContact O-N 3.42Å; A1040-T1043 PolarHBondContact O-OG1 3.31Å; A1040-A1044 PolarHBondContact O-N 3.27Å; A1040-I1056 HydrophobicContact CB-CG2 4.12Å |
| 1041 | V | 93.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 176.5 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | L1037 Q1038 T1043 A1044 L1045 I1056 Y1057 F1077 | L1037-V1041 PolarHBondContact O-N 2.76Å; L1037-V1041 VanDerWaalsContact O-N 3.08Å; Q1038-V1041 PolarHBondContact O-N 3.26Å; V1041-T1043 VanDerWaalsContact C-N 3.27Å; V1041-T1043 PolarHBondContact O-N 2.89Å; V1041-A1044 PolarHBondContact O-N 3.25Å; V1041-L1045 HydrophobicContact CG1-CD1 4.22Å; V1041-L1045 WeakPolarHBondContact O-CG 3.23Å; V1041-L1045 PolarHBondContact O-N 2.74Å; V1041-I1056 HydrophobicContact CG2-CG2 4.13Å; V1041-Y1057 HydrophobicContact CB-CE1 4.32Å; V1041-Y1057 HydrophobicContact CG1-CD1 4.06Å; V1041-Y1057 HydrophobicContact CG1-CD2 4.21Å; V1041-Y1057 HydrophobicContact CG1-CE1 3.38Å; V1041-Y1057 HydrophobicContact CG1-CE2 3.52Å; V1041-Y1057 HydrophobicContact CG1-CG 4.45Å; V1041-Y1057 WeakPolarHBondContact CG1-OH 3.36Å; V1041-Y1057 HydrophobicContact CG2-CD1 3.83Å; V1041-Y1057 HydrophobicContact CG2-CE1 3.96Å; V1041-Y1057 HydrophobicContact CG2-CG 4.14Å; V1041-F1077 HydrophobicContact CG2-CD1 4.24Å; V1041-F1077 HydrophobicContact CG2-CE1 4.21Å |
| 1042 | K | 93.3 | Very high | 90.3 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.3 | -34 | -179.7 | -174.5 | 177.8 | -177.6 | 176 | 0 | 112.4 | Q1038 A1039 A1040 R1046 | Q1038-K1042 WeakPolarHBondContact O-CB 3.44Å; Q1038-K1042 PolarHBondContact O-N 3.4Å; A1039-K1042 PolarHBondContact O-N 3.07Å; A1040-K1042 PolarHBondContact O-N 2.88Å; K1042-R1046 WeakPolarHBondContact O-CG 3.36Å; K1042-R1046 PolarHBondContact O-N 2.95Å |
| 1043 | T | 90.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.9 | -42.8 | 176.1 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | E1013 S1014 A1039 A1040 V1041 L1045 R1046 | E1013-T1043 HydrophobicContact CG-CG2 4.3Å; E1013-T1043 WeakPolarHBondContact OE1-CG2 3.48Å; S1014-T1043 WeakPolarHBondContact CA-OG1 3.43Å; S1014-T1043 WeakPolarHBondContact CB-OG1 3.25Å; A1039-T1043 WeakPolarHBondContact O-CG2 3.45Å; A1039-T1043 PolarHBondContact O-N 2.79Å; A1039-T1043 PolarHBondContact O-OG1 3.15Å; A1040-T1043 WeakPolarHBondContact CA-OG1 3.29Å; A1040-T1043 PolarHBondContact O-N 3.42Å; A1040-T1043 PolarHBondContact O-OG1 3.31Å; V1041-T1043 VanDerWaalsContact C-N 3.27Å; V1041-T1043 PolarHBondContact O-N 2.89Å; T1043-L1045 PolarHBondContact O-N 2.74Å; T1043-R1046 WeakPolarHBondContact O-CB 3.25Å; T1043-R1046 PolarHBondContact O-N 2.82Å; T1043-R1046 VanDerWaalsContact O-N 3.12Å |
| 1044 | A | 90.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1040 V1041 R1046 M1047 F1052 I1056 | A1040-A1044 PolarHBondContact O-N 3.27Å; V1041-A1044 PolarHBondContact O-N 3.25Å; A1044-R1046 PolarHBondContact O-N 3.07Å; A1044-M1047 WeakPolarHBondContact O-CB 3.19Å; A1044-M1047 PolarHBondContact O-N 2.98Å; A1044-F1052 HydrophobicContact CB-CD1 3.84Å; A1044-F1052 HydrophobicContact CB-CE1 3.83Å; A1044-I1056 HydrophobicContact CB-CB 4.05Å; A1044-I1056 HydrophobicContact CB-CG1 4.02Å; A1044-I1056 HydrophobicContact CB-CG2 4.12Å |
| 1045 | L | 88.1 | Confident | 90.7 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -30.7 | 177.1 | -74.6 | 176.1 | 0 | 0 | 0 | 113.5 | V1041 T1043 M1047 A1053 Y1057 F1085 | V1041-L1045 HydrophobicContact CG1-CD1 4.22Å; V1041-L1045 WeakPolarHBondContact O-CG 3.23Å; V1041-L1045 PolarHBondContact O-N 2.74Å; T1043-L1045 PolarHBondContact O-N 2.74Å; L1045-M1047 PolarHBondContact O-N 3.1Å; L1045-A1053 HydrophobicContact CD2-CB 4.39Å; L1045-Y1057 HydrophobicContact CD2-CE2 4.14Å; L1045-Y1057 HydrophobicContact CG-CE2 4.34Å; L1045-F1085 HydrophobicContact CD2-CE2 3.92Å; L1045-F1085 HydrophobicContact CD2-CZ 3.53Å |
| 1046 | R | 86.9 | Confident | 90.8 | Very high | 146 Ų | 146 | 49.1 Ų | 49.1 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.1 | -17.5 | 178.2 | -72.5 | 170.4 | 173.4 | -178.9 | -4.4 | 113.2 | K1042 T1043 A1044 N1048 | K1042-R1046 WeakPolarHBondContact O-CG 3.36Å; K1042-R1046 PolarHBondContact O-N 2.95Å; T1043-R1046 WeakPolarHBondContact O-CB 3.25Å; T1043-R1046 PolarHBondContact O-N 2.82Å; T1043-R1046 VanDerWaalsContact O-N 3.12Å; A1044-R1046 PolarHBondContact O-N 3.07Å; R1046-N1048 VanDerWaalsContact C-N 3.29Å |
| 1047 | M | 81.2 | Confident | 90.8 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 22% | 0.222 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.4 | -179.7 | -53.1 | -157 | -29.9 | 0 | 0 | 113.4 | R1010 E1011 A1044 L1045 D1049 F1052 | R1010-M1047 VanDerWaalsContact C-SD 3.56Å; R1010-M1047 HydrophobicContact CB-CG 3.74Å; R1010-M1047 HydrophobicContact CB-SD 3.4Å; R1010-M1047 WeakPolarHBondContact CB-SD 3.47Å; E1011-M1047 HydrophobicContact CB-SD 4.37Å; E1011-M1047 HydrophobicContact CG-CE 3.37Å; E1011-M1047 HydrophobicContact CG-SD 3.63Å; E1011-M1047 PolarHBondContact N-SD 2.88Å; A1044-M1047 WeakPolarHBondContact O-CB 3.19Å; A1044-M1047 PolarHBondContact O-N 2.98Å; L1045-M1047 PolarHBondContact O-N 3.1Å; M1047-D1049 PolarHBondContact O-N 3Å; M1047-D1049 VanDerWaalsContact O-N 3.14Å; M1047-F1052 HydrophobicContact CE-CB 4.09Å; M1047-F1052 HydrophobicContact CE-CD1 3.15Å; M1047-F1052 HydrophobicContact CE-CD2 4.32Å; M1047-F1052 HydrophobicContact CE-CE1 3.5Å; M1047-F1052 VanDerWaalsContact CE-CE1 3.5Å; M1047-F1052 HydrophobicContact CE-CG 3.6Å; M1047-F1052 HydrophobicContact CE-CZ 4.23Å; M1047-F1052 HydrophobicContact SD-CD1 4.2Å; M1047-F1052 HydrophobicContact SD-CE1 4.03Å |
| 1048 | N | 82.9 | Confident | 90.8 | Very high | 148 Ų | 148 | 49.6 Ų | 49.6 | 79% | 0.791 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.3 | -175.5 | -64.6 | -26.4 | 0 | 0 | 0 | 114.9 | R1046 | R1046-N1048 VanDerWaalsContact C-N 3.29Š|
| 1049 | D | 88.8 | Confident | 90.9 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | trans | -97.4 | 110.7 | 169.9 | -176.5 | -12.2 | 0 | 0 | 0 | 110 | M1047 H1051 F1052 A1053 | M1047-D1049 PolarHBondContact O-N 3Å; M1047-D1049 VanDerWaalsContact O-N 3.14Å; D1049-H1051 VanDerWaalsContact C-N 3.34Å; D1049-H1051 PolarHBondContact O-N 3.46Å; D1049-H1051 WeakPolarHBondContact OD1-CB 3.06Å; D1049-H1051 PolarHBondContact OD1-N 3.04Å; D1049-F1052 HydrophobicContact CB-CB 4Å; D1049-F1052 PolarHBondContact OD1-N 3.38Å; D1049-A1053 WeakPolarHBondContact O-CB 3.4Å; D1049-A1053 PolarHBondContact O-N 2.95Å | ||
| 1050 | P | 88 | Confident | 90.9 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.8 | -29.2 | -178.3 | 31.1 | -36.2 | 0 | 0 | 0 | 112.8 | L1054 F1085 I1089 | P1050-L1054 WeakPolarHBondContact O-CB 3.37Å; P1050-L1054 PolarHBondContact O-N 3.41Å; P1050-F1085 HydrophobicContact CB-CD1 3.94Å; P1050-F1085 HydrophobicContact CB-CE1 4.36Å; P1050-I1089 HydrophobicContact CB-CD1 3.93Å; P1050-I1089 HydrophobicContact CB-CG1 3.97Å; P1050-I1089 HydrophobicContact CG-CD1 4.41Å; P1050-I1089 HydrophobicContact CG-CG1 4.22Å; P1050-I1089 WeakPolarHBondContact O-CD1 3.34Å |
| 1051 | H | 91.4 | Very high | 90.9 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.8 | -44.3 | 178 | -76.3 | -83 | 0 | 0 | 0 | 111 | D1049 L1054 S1055 I1089 | D1049-H1051 VanDerWaalsContact C-N 3.34Å; D1049-H1051 PolarHBondContact O-N 3.46Å; D1049-H1051 WeakPolarHBondContact OD1-CB 3.06Å; D1049-H1051 PolarHBondContact OD1-N 3.04Å; H1051-L1054 PolarHBondContact O-N 3.36Å; H1051-S1055 PolarHBondContact O-N 3.07Å; H1051-S1055 VanDerWaalsContact O-N 3.12Å; H1051-I1089 WeakPolarHBondContact CE1-CG2 3.41Å |
| 1052 | F | 89.9 | Confident | 90.9 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.1 | -173.9 | -99.9 | 0 | 0 | 0 | 112.2 | E1011 E1015 A1044 M1047 D1049 L1054 S1055 I1056 | E1011-F1052 HydrophobicContact CB-CE2 4.43Å; E1011-F1052 HydrophobicContact CB-CZ 4.24Å; E1011-F1052 HydrophobicContact CG-CE2 4.22Å; E1011-F1052 HydrophobicContact CG-CZ 4.2Å; E1015-F1052 HydrophobicContact CG-CE2 4.42Å; E1015-F1052 HydrophobicContact CG-CZ 4.27Å; A1044-F1052 HydrophobicContact CB-CD1 3.84Å; A1044-F1052 HydrophobicContact CB-CE1 3.83Å; M1047-F1052 HydrophobicContact CE-CB 4.09Å; M1047-F1052 HydrophobicContact CE-CD1 3.15Å; M1047-F1052 HydrophobicContact CE-CD2 4.32Å; M1047-F1052 HydrophobicContact CE-CE1 3.5Å; M1047-F1052 VanDerWaalsContact CE-CE1 3.5Å; M1047-F1052 HydrophobicContact CE-CG 3.6Å; M1047-F1052 HydrophobicContact CE-CZ 4.23Å; M1047-F1052 HydrophobicContact SD-CD1 4.2Å; M1047-F1052 HydrophobicContact SD-CE1 4.03Å; D1049-F1052 HydrophobicContact CB-CB 4Å; D1049-F1052 PolarHBondContact OD1-N 3.38Å; F1052-L1054 VanDerWaalsContact C-N 3.33Å; F1052-L1054 PolarHBondContact O-N 3.46Å; F1052-S1055 PolarHBondContact O-N 3.38Å; F1052-S1055 PolarHBondContact O-OG 2.95Å; F1052-I1056 HydrophobicContact CD1-CG1 4.1Å; F1052-I1056 HydrophobicContact CE1-CD1 4.29Å; F1052-I1056 HydrophobicContact CE1-CG1 3.73Å; F1052-I1056 HydrophobicContact CE2-CD1 4.33Å; F1052-I1056 HydrophobicContact CE2-CG1 4.29Å; F1052-I1056 HydrophobicContact CZ-CD1 3.91Å; F1052-I1056 HydrophobicContact CZ-CG1 3.83Å; F1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; F1052-I1056 PolarHBondContact O-N 2.88Å; F1052-I1056 VanDerWaalsContact O-N 3.07Å |
| 1053 | A | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1045 D1049 S1055 I1056 Y1057 F1085 | L1045-A1053 HydrophobicContact CD2-CB 4.39Å; D1049-A1053 WeakPolarHBondContact O-CB 3.4Å; D1049-A1053 PolarHBondContact O-N 2.95Å; A1053-S1055 PolarHBondContact O-N 3.06Å; A1053-I1056 PolarHBondContact O-N 2.94Å; A1053-Y1057 VanDerWaalsContact O-CD2 3.26Å; A1053-Y1057 WeakPolarHBondContact O-CD2 3.42Å; A1053-Y1057 PolarHBondContact O-N 3.39Å; A1053-F1085 HydrophobicContact CB-CD2 4.4Å; A1053-F1085 HydrophobicContact CB-CE1 4.31Å; A1053-F1085 HydrophobicContact CB-CE2 4.14Å; A1053-F1085 HydrophobicContact CB-CZ 4.09Å |
| 1054 | L | 94.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -47.9 | 175.8 | 176.9 | 150 | 0 | 0 | 0 | 112.2 | P1050 H1051 F1052 Y1057 E1058 F1085 A1086 I1089 | P1050-L1054 WeakPolarHBondContact O-CB 3.37Å; P1050-L1054 PolarHBondContact O-N 3.41Å; H1051-L1054 PolarHBondContact O-N 3.36Å; F1052-L1054 VanDerWaalsContact C-N 3.33Å; F1052-L1054 PolarHBondContact O-N 3.46Å; L1054-Y1057 PolarHBondContact O-N 3.36Å; L1054-E1058 WeakPolarHBondContact O-CB 3.49Å; L1054-E1058 PolarHBondContact O-N 2.95Å; L1054-F1085 HydrophobicContact CB-CB 3.91Å; L1054-F1085 HydrophobicContact CD1-CB 4.18Å; L1054-F1085 HydrophobicContact CG-CB 4.48Å; L1054-A1086 VanDerWaalsContact CD1-CA 3.44Å; L1054-A1086 HydrophobicContact CD1-CB 3.63Å; L1054-I1089 HydrophobicContact CB-CD1 4.46Å; L1054-I1089 HydrophobicContact CD1-CD1 4.14Å |
| 1055 | S | 93.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -43.2 | -177.9 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | H1051 F1052 A1053 E1058 E1059 | H1051-S1055 PolarHBondContact O-N 3.07Å; H1051-S1055 VanDerWaalsContact O-N 3.12Å; F1052-S1055 PolarHBondContact O-N 3.38Å; F1052-S1055 PolarHBondContact O-OG 2.95Å; A1053-S1055 PolarHBondContact O-N 3.06Å; S1055-E1058 PolarHBondContact O-N 3.26Å; S1055-E1059 VanDerWaalsContact O-CB 3.31Å; S1055-E1059 WeakPolarHBondContact O-CB 3.49Å; S1055-E1059 WeakPolarHBondContact O-CG 3.24Å; S1055-E1059 PolarHBondContact O-N 3.49Å |
| 1056 | I | 94.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.6 | -65 | -65.1 | 0 | 0 | 0 | 111.9 | E1015 L1018 A1040 V1041 A1044 F1052 A1053 E1059 A1060 | E1015-I1056 HydrophobicContact CG-CD1 4.31Å; L1018-I1056 HydrophobicContact CD2-CD1 4.36Å; A1040-I1056 HydrophobicContact CB-CG2 4.12Å; V1041-I1056 HydrophobicContact CG2-CG2 4.13Å; A1044-I1056 HydrophobicContact CB-CB 4.05Å; A1044-I1056 HydrophobicContact CB-CG1 4.02Å; A1044-I1056 HydrophobicContact CB-CG2 4.12Å; F1052-I1056 HydrophobicContact CD1-CG1 4.1Å; F1052-I1056 HydrophobicContact CE1-CD1 4.29Å; F1052-I1056 HydrophobicContact CE1-CG1 3.73Å; F1052-I1056 HydrophobicContact CE2-CD1 4.33Å; F1052-I1056 HydrophobicContact CE2-CG1 4.29Å; F1052-I1056 HydrophobicContact CZ-CD1 3.91Å; F1052-I1056 HydrophobicContact CZ-CG1 3.83Å; F1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; F1052-I1056 PolarHBondContact O-N 2.88Å; F1052-I1056 VanDerWaalsContact O-N 3.07Å; A1053-I1056 PolarHBondContact O-N 2.94Å; I1056-E1059 PolarHBondContact O-N 3.41Å; I1056-A1060 VanDerWaalsContact O-CB 3.29Å; I1056-A1060 WeakPolarHBondContact O-CB 3.4Å; I1056-A1060 PolarHBondContact O-N 3Å |
| 1057 | Y | 94.1 | Very high | 90.4 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.1 | -90.8 | -74.6 | 0 | 0 | 0 | 111.9 | V1041 L1045 A1053 L1054 A1060 G1061 F1077 G1081 F1085 | V1041-Y1057 HydrophobicContact CB-CE1 4.32Å; V1041-Y1057 HydrophobicContact CG1-CD1 4.06Å; V1041-Y1057 HydrophobicContact CG1-CD2 4.21Å; V1041-Y1057 HydrophobicContact CG1-CE1 3.38Å; V1041-Y1057 HydrophobicContact CG1-CE2 3.52Å; V1041-Y1057 HydrophobicContact CG1-CG 4.45Å; V1041-Y1057 WeakPolarHBondContact CG1-OH 3.36Å; V1041-Y1057 HydrophobicContact CG2-CD1 3.83Å; V1041-Y1057 HydrophobicContact CG2-CE1 3.96Å; V1041-Y1057 HydrophobicContact CG2-CG 4.14Å; L1045-Y1057 HydrophobicContact CD2-CE2 4.14Å; L1045-Y1057 HydrophobicContact CG-CE2 4.34Å; A1053-Y1057 VanDerWaalsContact O-CD2 3.26Å; A1053-Y1057 WeakPolarHBondContact O-CD2 3.42Å; A1053-Y1057 PolarHBondContact O-N 3.39Å; L1054-Y1057 PolarHBondContact O-N 3.36Å; Y1057-A1060 PolarHBondContact O-N 2.96Å; Y1057-G1061 PolarHBondContact O-N 3.09Å; Y1057-F1077 HydrophobicContact CD1-CB 4.5Å; Y1057-F1077 HydrophobicContact CD1-CD1 4.11Å; Y1057-G1081 VanDerWaalsContact CE1-CA 3.49Å; Y1057-F1085 HydrophobicContact CD2-CD2 4.17Å; Y1057-F1085 HydrophobicContact CD2-CE2 4.04Å; Y1057-F1085 HydrophobicContact CE2-CD2 4.29Å; Y1057-F1085 AromaticContact CE2-CE2 3.71Å; Y1057-F1085 HydrophobicContact CE2-CE2 3.71Å |
| 1058 | E | 94.1 | Very high | 90.3 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.8 | -177.8 | 171.8 | -174.3 | 0 | 0 | 111.3 | L1054 S1055 A1060 G1061 D1062 Y1078 R1097 L1098 K1101 | L1054-E1058 WeakPolarHBondContact O-CB 3.49Å; L1054-E1058 PolarHBondContact O-N 2.95Å; S1055-E1058 PolarHBondContact O-N 3.26Å; E1058-A1060 VanDerWaalsContact C-N 3.33Å; E1058-A1060 PolarHBondContact O-N 3.48Å; E1058-G1061 PolarHBondContact O-N 2.6Å; E1058-D1062 WeakPolarHBondContact O-CB 3.11Å; E1058-D1062 PolarHBondContact O-N 3.07Å; E1058-Y1078 HydrophobicContact CG-CE1 4.23Å; E1058-R1097 IonicContact OE1-CZ 2.74Å; E1058-R1097 IonicContact OE1-NE 3.54Å; E1058-R1097 PolarHBondContact OE1-NE 3.08Å; E1058-R1097 IonicContact OE1-NH2 2.69Å; E1058-R1097 IonicContact OE2-CZ 3.62Å; E1058-R1097 IonicContact OE2-NE 3.46Å; E1058-R1097 PolarHBondContact OE2-NE 2.98Å; E1058-R1097 IonicContact OE2-NH2 3.89Å; E1058-R1097 PolarHBondContact OE2-NH2 2.99Å; E1058-L1098 HydrophobicContact CB-CD2 4.26Å; E1058-L1098 HydrophobicContact CG-CD2 3.92Å; E1058-K1101 IonicContact OE1-NZ 2.75Å; E1058-K1101 PolarHBondContact OE1-NZ 3.21Å |
| 1059 | E | 94.3 | Very high | 90.3 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.4 | -31.4 | -179.9 | -78.2 | -155.3 | -165.8 | 0 | 0 | 113.6 | L1018 R1022 S1055 I1056 V1063 | L1018-E1059 HydrophobicContact CD1-CB 4.24Å; L1018-E1059 HydrophobicContact CD2-CB 3.74Å; L1018-E1059 VanDerWaalsContact CD2-OE2 3.24Å; L1018-E1059 WeakPolarHBondContact CD2-OE2 3.29Å; R1022-E1059 IonicContact CZ-OE2 2.97Å; R1022-E1059 IonicContact NH1-OE2 3.33Å; R1022-E1059 PolarHBondContact NH1-OE2 3.15Å; R1022-E1059 IonicContact NH2-OE2 3.55Å; R1022-E1059 PolarHBondContact NH2-OE2 2.66Å; S1055-E1059 VanDerWaalsContact O-CB 3.31Å; S1055-E1059 WeakPolarHBondContact O-CB 3.49Å; S1055-E1059 WeakPolarHBondContact O-CG 3.24Å; S1055-E1059 PolarHBondContact O-N 3.49Å; I1056-E1059 PolarHBondContact O-N 3.41Å; E1059-V1063 WeakPolarHBondContact O-CG2 3.36Å; E1059-V1063 PolarHBondContact O-N 2.89Å |
| 1060 | A | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1018 L1037 I1056 Y1057 E1058 D1062 V1063 F1077 | L1018-A1060 HydrophobicContact CD1-CB 3.87Å; L1037-A1060 HydrophobicContact CB-CB 4.3Å; L1037-A1060 HydrophobicContact CD2-CB 4.08Å; I1056-A1060 VanDerWaalsContact O-CB 3.29Å; I1056-A1060 WeakPolarHBondContact O-CB 3.4Å; I1056-A1060 PolarHBondContact O-N 3Å; Y1057-A1060 PolarHBondContact O-N 2.96Å; E1058-A1060 VanDerWaalsContact C-N 3.33Å; E1058-A1060 PolarHBondContact O-N 3.48Å; A1060-D1062 VanDerWaalsContact C-N 3.27Å; A1060-D1062 PolarHBondContact O-N 3.47Å; A1060-V1063 WeakPolarHBondContact O-CB 3.23Å; A1060-V1063 PolarHBondContact O-N 3.39Å; A1060-F1077 HydrophobicContact CB-CD1 3.79Å; A1060-F1077 HydrophobicContact CB-CE1 3.95Å; A1060-F1077 HydrophobicContact CB-CG 4.24Å |
| 1061 | G | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -38 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1057 E1058 V1063 Y1064 F1065 S1074 Y1078 | Y1057-G1061 PolarHBondContact O-N 3.09Å; E1058-G1061 PolarHBondContact O-N 2.6Å; G1061-V1063 PolarHBondContact O-N 2.8Å; G1061-Y1064 PolarHBondContact O-N 3.38Å; G1061-F1065 WeakPolarHBondContact O-CB 3.28Å; G1061-F1065 PolarHBondContact O-N 3.26Å; G1061-S1074 WeakPolarHBondContact O-CB 3.31Å; G1061-Y1078 VanDerWaalsContact C-OH 3.23Å; G1061-Y1078 PolarHBondContact O-OH 3.33Å |
| 1062 | D | 92.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -27.9 | 179.2 | -90.8 | 24.2 | 0 | 0 | 0 | 113.6 | E1058 A1060 K1066 Y1078 K1101 | E1058-D1062 WeakPolarHBondContact O-CB 3.11Å; E1058-D1062 PolarHBondContact O-N 3.07Å; A1060-D1062 VanDerWaalsContact C-N 3.27Å; A1060-D1062 PolarHBondContact O-N 3.47Å; D1062-K1066 WeakPolarHBondContact O-CB 3.47Å; D1062-K1066 WeakPolarHBondContact O-CG 3.4Å; D1062-K1066 PolarHBondContact O-N 2.98Å; D1062-K1066 WeakPolarHBondContact OD2-CE 3.33Å; D1062-K1066 IonicContact OD2-NZ 3.19Å; D1062-K1066 PolarHBondContact OD2-NZ 3.35Å; D1062-Y1078 WeakPolarHBondContact CA-OH 3.38Å; D1062-Y1078 PolarHBondContact N-OH 3.26Å; D1062-Y1078 PolarHBondContact OD1-OH 3.2Å; D1062-K1101 IonicContact OD1-NZ 2.71Å; D1062-K1101 PolarHBondContact OD1-NZ 3.43Å; D1062-K1101 IonicContact OD2-NZ 3.41Å; D1062-K1101 PolarHBondContact OD2-NZ 3.44Å |
| 1063 | V | 91.4 | Very high | 89.1 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | R1022 Y1025 L1037 E1059 A1060 G1061 G1067 | R1022-V1063 HydrophobicContact CG-CB 4.46Å; R1022-V1063 HydrophobicContact CG-CG1 4.16Å; R1022-V1063 HydrophobicContact CG-CG2 3.45Å; R1022-V1063 VanDerWaalsContact CG-CG2 3.45Å; Y1025-V1063 HydrophobicContact CD1-CG1 3.9Å; Y1025-V1063 HydrophobicContact CG-CG1 3.94Å; L1037-V1063 HydrophobicContact CD1-CB 4.31Å; L1037-V1063 HydrophobicContact CD1-CG2 4.45Å; L1037-V1063 HydrophobicContact CD2-CG2 4.06Å; E1059-V1063 WeakPolarHBondContact O-CG2 3.36Å; E1059-V1063 PolarHBondContact O-N 2.89Å; A1060-V1063 WeakPolarHBondContact O-CB 3.23Å; A1060-V1063 PolarHBondContact O-N 3.39Å; G1061-V1063 PolarHBondContact O-N 2.8Å; V1063-G1067 PolarHBondContact O-N 3.16Å |
| 1064 | Y | 90.6 | Very high | 89 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.2 | -39.4 | 177.6 | -65.2 | -68 | 0 | 0 | 0 | 112.1 | Y1025 D1034 L1037 G1061 K1066 G1067 N1070 R1071 A1073 F1077 | Y1025-Y1064 HydrophobicContact CD2-CD1 4.16Å; Y1025-Y1064 AromaticContact CD2-CE1 3.98Å; Y1025-Y1064 HydrophobicContact CD2-CE1 3.98Å; Y1025-Y1064 AromaticContact CE2-CD1 3.99Å; Y1025-Y1064 HydrophobicContact CE2-CD1 3.99Å; Y1025-Y1064 HydrophobicContact CE2-CE1 4.18Å; D1034-Y1064 VanDerWaalsContact CA-OH 3.3Å; D1034-Y1064 WeakPolarHBondContact CA-OH 3.19Å; D1034-Y1064 WeakPolarHBondContact CB-OH 3.35Å; D1034-Y1064 PolarHBondContact N-OH 3.25Å; D1034-Y1064 VanDerWaalsContact N-OH 3.17Å; L1037-Y1064 HydrophobicContact CD1-CD2 4.2Å; L1037-Y1064 HydrophobicContact CD1-CE2 3.43Å; L1037-Y1064 VanDerWaalsContact CD1-CE2 3.43Å; G1061-Y1064 PolarHBondContact O-N 3.38Å; Y1064-K1066 PolarHBondContact O-N 3.06Å; Y1064-G1067 PolarHBondContact O-N 3.1Å; Y1064-G1067 VanDerWaalsContact O-N 3.16Å; Y1064-N1070 HydrophobicContact CD1-CB 4.27Å; Y1064-N1070 HydrophobicContact CE1-CB 4.5Å; Y1064-R1071 VanDerWaalsContact O-CG 3.27Å; Y1064-R1071 WeakPolarHBondContact O-CG 3.42Å; Y1064-A1073 HydrophobicContact CD1-CB 3.94Å; Y1064-A1073 HydrophobicContact CD2-CB 3.75Å; Y1064-A1073 HydrophobicContact CE1-CB 4.14Å; Y1064-A1073 HydrophobicContact CE2-CB 3.95Å; Y1064-A1073 HydrophobicContact CG-CB 3.75Å; Y1064-F1077 HydrophobicContact CD2-CD2 4.49Å; Y1064-F1077 HydrophobicContact CD2-CE2 4.15Å; Y1064-F1077 AromaticContact CE2-CE2 3.87Å; Y1064-F1077 HydrophobicContact CE2-CE2 3.87Å |
| 1065 | F | 89.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 10% | 0.101 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | -178.5 | 179.6 | -92.5 | 0 | 0 | 0 | 112.8 | G1061 G1067 R1071 Y1078 K1101 E1104 L1105 | G1061-F1065 WeakPolarHBondContact O-CB 3.28Å; G1061-F1065 PolarHBondContact O-N 3.26Å; F1065-G1067 VanDerWaalsContact C-N 3.29Å; F1065-R1071 PolarHBondContact O-NE 2.85Å; F1065-R1071 PolarHBondContact O-NH2 2.85Å; F1065-Y1078 HydrophobicContact CB-CE2 4.23Å; F1065-Y1078 VanDerWaalsContact CB-OH 3.32Å; F1065-Y1078 WeakPolarHBondContact CB-OH 3.24Å; F1065-Y1078 HydrophobicContact CD2-CE2 4.27Å; F1065-Y1078 HydrophobicContact CG-CE2 4.45Å; F1065-K1101 HydrophobicContact CE2-CB 4.42Å; F1065-K1101 HydrophobicContact CZ-CG 4.42Å; F1065-E1104 HydrophobicContact CE2-CG 4.49Å; F1065-E1104 HydrophobicContact CZ-CG 4.47Å; F1065-L1105 HydrophobicContact CD2-CD1 3.99Å; F1065-L1105 HydrophobicContact CD2-CD2 3.68Å; F1065-L1105 HydrophobicContact CD2-CG 3.73Å; F1065-L1105 HydrophobicContact CE2-CD1 4.49Å; F1065-L1105 HydrophobicContact CE2-CD2 4.13Å; F1065-L1105 HydrophobicContact CE2-CG 3.93Å |
| 1066 | K | 86.5 | Confident | 88.6 | Confident | 144 Ų | 144 | 47.3 Ų | 47.3 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -76.7 | -21.7 | 176.2 | -67.7 | 171 | -174.9 | 154.6 | 0 | 112.1 | D1062 Y1064 | D1062-K1066 WeakPolarHBondContact O-CB 3.47Å; D1062-K1066 WeakPolarHBondContact O-CG 3.4Å; D1062-K1066 PolarHBondContact O-N 2.98Å; D1062-K1066 WeakPolarHBondContact OD2-CE 3.33Å; D1062-K1066 IonicContact OD2-NZ 3.19Å; D1062-K1066 PolarHBondContact OD2-NZ 3.35Å; Y1064-K1066 PolarHBondContact O-N 3.06Å |
| 1067 | G | 82.3 | Confident | 88.5 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -67.8 | 158.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1025 V1063 Y1064 F1065 R1071 | Y1025-G1067 WeakPolarHBondContact OH-CA 3.28Å; V1063-G1067 PolarHBondContact O-N 3.16Å; Y1064-G1067 PolarHBondContact O-N 3.1Å; Y1064-G1067 VanDerWaalsContact O-N 3.16Å; F1065-G1067 VanDerWaalsContact C-N 3.29Å; G1067-R1071 PolarHBondContact O-NE 3.13Å |
| 1068 | H | 78.8 | Confident | 88.4 | Confident | 193 Ų | 193 | 45.9 Ų | 45.9 | 89% | 0.894 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -89 | -14.9 | 171 | -62.5 | -62.1 | 0 | 0 | 0 | 113.1 | Y1025 | Y1025-H1068 PolarHBondContact OH-N 3.36Š|
| 1069 | R | 81.9 | Confident | 88.3 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -111.3 | 144.8 | -175.8 | -62.9 | -179.7 | -72 | 125.6 | 4.6 | 110.1 | Y1025 D1030 R1071 | Y1025-R1069 HydrophobicContact CE2-CB 4.22Å; Y1025-R1069 PolarHBondContact O-NH2 3.26Å; Y1025-R1069 PolarHBondContact OH-N 2.92Å; Y1025-R1069 VanDerWaalsContact OH-N 3.08Å; Y1025-R1069 PolarHBondContact OH-O 2.68Å; D1030-R1069 IonicContact OD1-CZ 2.86Å; D1030-R1069 IonicContact OD1-NH1 3.36Å; D1030-R1069 PolarHBondContact OD1-NH1 2.87Å; D1030-R1069 IonicContact OD1-NH2 3.4Å; D1030-R1069 IonicContact OD2-NH1 3.62Å; D1030-R1069 PolarHBondContact OD2-NH1 2.65Å; R1069-R1071 PolarHBondContact O-N 3.36Å |
| 1070 | N | 79.8 | Confident | 88 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | trans | 47.4 | 38.8 | 175.6 | -66.1 | -13.9 | 0 | 0 | 0 | 115.3 | D1030 Y1064 M1072 A1073 | D1030-N1070 PolarHBondContact OD2-ND2 3.17Å; Y1064-N1070 HydrophobicContact CD1-CB 4.27Å; Y1064-N1070 HydrophobicContact CE1-CB 4.5Å; N1070-M1072 PolarHBondContact O-N 3.12Å; N1070-M1072 VanDerWaalsContact O-N 3.08Å; N1070-A1073 VanDerWaalsContact O-CB 3.32Å; N1070-A1073 WeakPolarHBondContact O-CB 3.13Å; N1070-A1073 PolarHBondContact O-N 2.93Å | ||
| 1071 | R | 84.7 | Confident | 87.8 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.3 | -178.5 | -117 | -179.1 | 175.3 | -157.9 | -12.4 | 113.5 | Y1064 F1065 G1067 R1069 A1073 S1074 L1105 | Y1064-R1071 VanDerWaalsContact O-CG 3.27Å; Y1064-R1071 WeakPolarHBondContact O-CG 3.42Å; F1065-R1071 PolarHBondContact O-NE 2.85Å; F1065-R1071 PolarHBondContact O-NH2 2.85Å; G1067-R1071 PolarHBondContact O-NE 3.13Å; R1069-R1071 PolarHBondContact O-N 3.36Å; R1071-A1073 PolarHBondContact O-N 2.72Å; R1071-S1074 WeakPolarHBondContact O-CB 3.48Å; R1071-S1074 PolarHBondContact O-N 3.1Å; R1071-S1074 PolarHBondContact O-OG 3.09Å; R1071-L1105 HydrophobicContact CB-CD2 4.31Å; R1071-L1105 HydrophobicContact CG-CD2 4.32Å |
| 1072 | M | 83.7 | Confident | 87.8 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.7 | 179.4 | -68.6 | -54.9 | -69.4 | 0 | 0 | 114.1 | N1070 S1074 E1075 L1106 Q1109 | N1070-M1072 PolarHBondContact O-N 3.12Å; N1070-M1072 VanDerWaalsContact O-N 3.08Å; M1072-S1074 PolarHBondContact O-N 3.01Å; M1072-S1074 VanDerWaalsContact O-N 3.11Å; M1072-E1075 WeakPolarHBondContact CE-OE2 3.32Å; M1072-E1075 VanDerWaalsContact O-CB 3.26Å; M1072-E1075 WeakPolarHBondContact O-CB 3.29Å; M1072-E1075 PolarHBondContact O-N 2.94Å; M1072-L1106 HydrophobicContact CE-CD2 4.32Å; M1072-Q1109 HydrophobicContact SD-CG 4.17Å |
| 1073 | A | 85.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 48.8 Ų | 48.8 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -24.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1064 N1070 R1071 E1075 F1077 | Y1064-A1073 HydrophobicContact CD1-CB 3.94Å; Y1064-A1073 HydrophobicContact CD2-CB 3.75Å; Y1064-A1073 HydrophobicContact CE1-CB 4.14Å; Y1064-A1073 HydrophobicContact CE2-CB 3.95Å; Y1064-A1073 HydrophobicContact CG-CB 3.75Å; N1070-A1073 VanDerWaalsContact O-CB 3.32Å; N1070-A1073 WeakPolarHBondContact O-CB 3.13Å; N1070-A1073 PolarHBondContact O-N 2.93Å; R1071-A1073 PolarHBondContact O-N 2.72Å; A1073-E1075 VanDerWaalsContact C-N 3.26Å; A1073-E1075 PolarHBondContact O-N 3.33Å; A1073-F1077 VanDerWaalsContact O-CD2 3.28Å; A1073-F1077 WeakPolarHBondContact O-CD2 3.44Å |
| 1074 | S | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.9 | -23.8 | 174.5 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | G1061 R1071 M1072 V1076 F1077 Y1078 L1105 | G1061-S1074 WeakPolarHBondContact O-CB 3.31Å; R1071-S1074 WeakPolarHBondContact O-CB 3.48Å; R1071-S1074 PolarHBondContact O-N 3.1Å; R1071-S1074 PolarHBondContact O-OG 3.09Å; M1072-S1074 PolarHBondContact O-N 3.01Å; M1072-S1074 VanDerWaalsContact O-N 3.11Å; S1074-V1076 PolarHBondContact O-N 3.01Å; S1074-F1077 PolarHBondContact O-N 3Å; S1074-Y1078 VanDerWaalsContact O-CD2 3.23Å; S1074-Y1078 WeakPolarHBondContact O-CD2 3.48Å; S1074-Y1078 PolarHBondContact O-N 3.46Å; S1074-Y1078 VanDerWaalsContact O-N 3.12Å; S1074-L1105 WeakPolarHBondContact OG-CD1 3.14Å; S1074-L1105 WeakPolarHBondContact OG-CD2 3.32Å |
| 1075 | E | 88.9 | Confident | 88 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | -177.5 | -172.8 | -162.6 | 140.8 | 0 | 0 | 111.7 | M1072 A1073 F1077 Y1078 R1079 L1102 | M1072-E1075 WeakPolarHBondContact CE-OE2 3.32Å; M1072-E1075 VanDerWaalsContact O-CB 3.26Å; M1072-E1075 WeakPolarHBondContact O-CB 3.29Å; M1072-E1075 PolarHBondContact O-N 2.94Å; A1073-E1075 VanDerWaalsContact C-N 3.26Å; A1073-E1075 PolarHBondContact O-N 3.33Å; E1075-F1077 VanDerWaalsContact C-N 3.34Å; E1075-F1077 PolarHBondContact O-N 2.91Å; E1075-Y1078 PolarHBondContact O-N 2.76Å; E1075-R1079 VanDerWaalsContact O-CB 3.29Å; E1075-R1079 WeakPolarHBondContact O-CB 3.38Å; E1075-R1079 PolarHBondContact O-N 2.58Å; E1075-R1079 IonicContact OE1-CZ 2.73Å; E1075-R1079 IonicContact OE1-NH1 3.38Å; E1075-R1079 PolarHBondContact OE1-NH1 2.84Å; E1075-R1079 IonicContact OE1-NH2 3.25Å; E1075-L1102 HydrophobicContact CG-CD2 4.01Å |
| 1076 | V | 89.4 | Confident | 88.2 | Confident | 79 Ų | 79 | 52 Ų | 52 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | -178.6 | 180 | 0 | 0 | 0 | 0 | 110.8 | S1074 Y1078 D1080 | S1074-V1076 PolarHBondContact O-N 3.01Å; V1076-Y1078 VanDerWaalsContact C-N 3.33Å; V1076-Y1078 PolarHBondContact O-N 3.4Å; V1076-D1080 WeakPolarHBondContact O-CB 3.41Å; V1076-D1080 PolarHBondContact O-N 2.69Å |
| 1077 | F | 92.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -64.6 | -37 | 178.5 | -67.2 | -78 | 0 | 0 | 0 | 112.5 | L1037 Q1038 V1041 Y1057 A1060 Y1064 A1073 S1074 E1075 G1081 S1082 | L1037-F1077 HydrophobicContact CB-CE1 4.38Å; L1037-F1077 HydrophobicContact CB-CZ 4.06Å; Q1038-F1077 HydrophobicContact CG-CE1 4.48Å; Q1038-F1077 HydrophobicContact CG-CZ 4.35Å; V1041-F1077 HydrophobicContact CG2-CD1 4.24Å; V1041-F1077 HydrophobicContact CG2-CE1 4.21Å; Y1057-F1077 HydrophobicContact CD1-CB 4.5Å; Y1057-F1077 HydrophobicContact CD1-CD1 4.11Å; A1060-F1077 HydrophobicContact CB-CD1 3.79Å; A1060-F1077 HydrophobicContact CB-CE1 3.95Å; A1060-F1077 HydrophobicContact CB-CG 4.24Å; Y1064-F1077 HydrophobicContact CD2-CD2 4.49Å; Y1064-F1077 HydrophobicContact CD2-CE2 4.15Å; Y1064-F1077 AromaticContact CE2-CE2 3.87Å; Y1064-F1077 HydrophobicContact CE2-CE2 3.87Å; A1073-F1077 VanDerWaalsContact O-CD2 3.28Å; A1073-F1077 WeakPolarHBondContact O-CD2 3.44Å; S1074-F1077 PolarHBondContact O-N 3Å; E1075-F1077 VanDerWaalsContact C-N 3.34Å; E1075-F1077 PolarHBondContact O-N 2.91Å; F1077-G1081 WeakPolarHBondContact O-CA 3.31Å; F1077-G1081 PolarHBondContact O-N 3.38Å; F1077-S1082 PolarHBondContact O-N 2.89Å |
| 1078 | Y | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -79.1 | -49.6 | 179.5 | -62.6 | -35.5 | 0 | 0 | 0 | 113.2 | E1058 G1061 D1062 F1065 S1074 E1075 V1076 S1082 L1083 L1098 K1101 L1102 L1105 | E1058-Y1078 HydrophobicContact CG-CE1 4.23Å; G1061-Y1078 VanDerWaalsContact C-OH 3.23Å; G1061-Y1078 PolarHBondContact O-OH 3.33Å; D1062-Y1078 WeakPolarHBondContact CA-OH 3.38Å; D1062-Y1078 PolarHBondContact N-OH 3.26Å; D1062-Y1078 PolarHBondContact OD1-OH 3.2Å; F1065-Y1078 HydrophobicContact CB-CE2 4.23Å; F1065-Y1078 VanDerWaalsContact CB-OH 3.32Å; F1065-Y1078 WeakPolarHBondContact CB-OH 3.24Å; F1065-Y1078 HydrophobicContact CD2-CE2 4.27Å; F1065-Y1078 HydrophobicContact CG-CE2 4.45Å; S1074-Y1078 VanDerWaalsContact O-CD2 3.23Å; S1074-Y1078 WeakPolarHBondContact O-CD2 3.48Å; S1074-Y1078 PolarHBondContact O-N 3.46Å; S1074-Y1078 VanDerWaalsContact O-N 3.12Å; E1075-Y1078 PolarHBondContact O-N 2.76Å; V1076-Y1078 VanDerWaalsContact C-N 3.33Å; V1076-Y1078 PolarHBondContact O-N 3.4Å; Y1078-S1082 WeakPolarHBondContact CA-OG 3.42Å; Y1078-S1082 PolarHBondContact O-OG 2.92Å; Y1078-L1083 WeakPolarHBondContact O-CB 3.45Å; Y1078-L1083 PolarHBondContact O-N 2.62Å; Y1078-L1098 HydrophobicContact CD1-CD2 3.72Å; Y1078-L1098 HydrophobicContact CE1-CD2 4.18Å; Y1078-L1098 HydrophobicContact CG-CD2 4.38Å; Y1078-K1101 HydrophobicContact CD2-CB 4.36Å; Y1078-K1101 HydrophobicContact CE1-CD 4.27Å; Y1078-K1101 HydrophobicContact CE2-CB 4.09Å; Y1078-K1101 HydrophobicContact CE2-CD 4.29Å; Y1078-L1102 HydrophobicContact CD2-CD2 4.32Å; Y1078-L1105 HydrophobicContact CD2-CD1 3.85Å; Y1078-L1105 HydrophobicContact CE2-CD1 3.89Å |
| 1079 | R | 90.6 | Very high | 89.5 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -71.4 | -50.5 | -174.5 | -175 | -176.3 | 71.6 | -152.8 | -13.1 | 111.9 | E1075 P1084 L1102 Y1118 | E1075-R1079 VanDerWaalsContact O-CB 3.29Å; E1075-R1079 WeakPolarHBondContact O-CB 3.38Å; E1075-R1079 PolarHBondContact O-N 2.58Å; E1075-R1079 IonicContact OE1-CZ 2.73Å; E1075-R1079 IonicContact OE1-NH1 3.38Å; E1075-R1079 PolarHBondContact OE1-NH1 2.84Å; E1075-R1079 IonicContact OE1-NH2 3.25Å; R1079-P1084 VanDerWaalsContact O-CD 3.27Å; R1079-P1084 WeakPolarHBondContact O-CD 3.46Å; R1079-L1102 HydrophobicContact CB-CD1 4.38Å; R1079-L1102 HydrophobicContact CB-CD2 4.31Å; R1079-Y1118 WeakPolarHBondContact CD-OH 3.46Å; R1079-Y1118 WeakPolarHBondContact CG-OH 3.16Å |
| 1080 | D | 88.9 | Confident | 89.9 | Confident | 90 Ų | 90 | 51 Ų | 51 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -92.7 | -13.7 | -170.7 | -54.5 | -24.3 | 0 | 0 | 0 | 111.5 | V1076 | V1076-D1080 WeakPolarHBondContact O-CB 3.41Å; V1076-D1080 PolarHBondContact O-N 2.69Å |
| 1081 | G | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -112.7 | -85.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1057 F1077 L1083 P1084 F1085 | Y1057-G1081 VanDerWaalsContact CE1-CA 3.49Å; F1077-G1081 WeakPolarHBondContact O-CA 3.31Å; F1077-G1081 PolarHBondContact O-N 3.38Å; G1081-L1083 PolarHBondContact O-N 3.12Å; G1081-P1084 VanDerWaalsContact O-CD 3.3Å; G1081-P1084 WeakPolarHBondContact O-CD 3.29Å; G1081-F1085 WeakPolarHBondContact O-CD2 3.33Å |
| 1082 | S | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -67.9 | -34.8 | -166.6 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | F1077 Y1078 F1085 A1086 L1098 | F1077-S1082 PolarHBondContact O-N 2.89Å; Y1078-S1082 WeakPolarHBondContact CA-OG 3.42Å; Y1078-S1082 PolarHBondContact O-OG 2.92Å; S1082-F1085 PolarHBondContact O-N 3.43Å; S1082-A1086 PolarHBondContact O-N 3.32Å; S1082-L1098 VanDerWaalsContact OG-CD1 3.28Å; S1082-L1098 WeakPolarHBondContact OG-CD1 3.36Å; S1082-L1098 WeakPolarHBondContact OG-CD2 3.46Å |
| 1083 | L | 93.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | -178.3 | 177.7 | 68.8 | 0 | 0 | 0 | 113.1 | Y1078 G1081 F1085 A1086 R1087 E1095 L1098 L1099 L1102 Y1118 | Y1078-L1083 WeakPolarHBondContact O-CB 3.45Å; Y1078-L1083 PolarHBondContact O-N 2.62Å; G1081-L1083 PolarHBondContact O-N 3.12Å; L1083-F1085 VanDerWaalsContact C-N 3.31Å; L1083-F1085 PolarHBondContact O-N 3.25Å; L1083-A1086 PolarHBondContact O-N 3.31Å; L1083-R1087 PolarHBondContact O-N 3.3Å; L1083-R1087 VanDerWaalsContact O-N 3.11Å; L1083-E1095 HydrophobicContact CD1-CG 3.92Å; L1083-L1098 HydrophobicContact CD1-CB 4.42Å; L1083-L1099 HydrophobicContact CD1-CD2 3.86Å; L1083-L1099 HydrophobicContact CD1-CG 3.86Å; L1083-L1099 HydrophobicContact CD2-CD2 3.8Å; L1083-L1102 HydrophobicContact CD2-CD1 4.18Å; L1083-Y1118 HydrophobicContact CD2-CE1 4.32Å |
| 1084 | P | 94 | Very high | 91.4 | Very high | 61 Ų | 61 | 48 Ų | 48 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.3 | -42.8 | 170.2 | -28.4 | 32 | 0 | 0 | 0 | 113.8 | R1079 G1081 R1087 S1088 | R1079-P1084 VanDerWaalsContact O-CD 3.27Å; R1079-P1084 WeakPolarHBondContact O-CD 3.46Å; G1081-P1084 VanDerWaalsContact O-CD 3.3Å; G1081-P1084 WeakPolarHBondContact O-CD 3.29Å; P1084-R1087 PolarHBondContact O-N 3.3Å; P1084-S1088 WeakPolarHBondContact O-CB 3.41Å; P1084-S1088 PolarHBondContact O-N 3.4Å |
| 1085 | F | 91.9 | Very high | 91.6 | Very high | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.211 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 177.1 | -77.2 | -68.1 | 0 | 0 | 0 | 111.6 | L1045 P1050 A1053 L1054 Y1057 G1081 S1082 L1083 R1087 S1088 I1089 | L1045-F1085 HydrophobicContact CD2-CE2 3.92Å; L1045-F1085 HydrophobicContact CD2-CZ 3.53Å; P1050-F1085 HydrophobicContact CB-CD1 3.94Å; P1050-F1085 HydrophobicContact CB-CE1 4.36Å; A1053-F1085 HydrophobicContact CB-CD2 4.4Å; A1053-F1085 HydrophobicContact CB-CE1 4.31Å; A1053-F1085 HydrophobicContact CB-CE2 4.14Å; A1053-F1085 HydrophobicContact CB-CZ 4.09Å; L1054-F1085 HydrophobicContact CB-CB 3.91Å; L1054-F1085 HydrophobicContact CD1-CB 4.18Å; L1054-F1085 HydrophobicContact CG-CB 4.48Å; Y1057-F1085 HydrophobicContact CD2-CD2 4.17Å; Y1057-F1085 HydrophobicContact CD2-CE2 4.04Å; Y1057-F1085 HydrophobicContact CE2-CD2 4.29Å; Y1057-F1085 AromaticContact CE2-CE2 3.71Å; Y1057-F1085 HydrophobicContact CE2-CE2 3.71Å; G1081-F1085 WeakPolarHBondContact O-CD2 3.33Å; S1082-F1085 PolarHBondContact O-N 3.43Å; L1083-F1085 VanDerWaalsContact C-N 3.31Å; L1083-F1085 PolarHBondContact O-N 3.25Å; F1085-R1087 VanDerWaalsContact C-N 3.26Å; F1085-R1087 PolarHBondContact O-N 2.99Å; F1085-S1088 WeakPolarHBondContact CA-OG 3.48Å; F1085-S1088 PolarHBondContact O-N 3.36Å; F1085-S1088 VanDerWaalsContact O-N 3.08Å; F1085-S1088 PolarHBondContact O-OG 3.24Å; F1085-I1089 WeakPolarHBondContact O-CB 3.33Å; F1085-I1089 WeakPolarHBondContact O-CD1 3.22Å; F1085-I1089 VanDerWaalsContact O-CG1 3.26Å; F1085-I1089 WeakPolarHBondContact O-CG1 3.34Å; F1085-I1089 PolarHBondContact O-N 3.12Å |
| 1086 | A | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1054 S1082 L1083 K1090 D1091 E1095 L1098 | L1054-A1086 VanDerWaalsContact CD1-CA 3.44Å; L1054-A1086 HydrophobicContact CD1-CB 3.63Å; S1082-A1086 PolarHBondContact O-N 3.32Å; L1083-A1086 PolarHBondContact O-N 3.31Å; A1086-K1090 WeakPolarHBondContact O-CA 3.46Å; A1086-K1090 PolarHBondContact O-N 3.26Å; A1086-D1091 PolarHBondContact O-N 3.13Å; A1086-E1095 HydrophobicContact CB-CB 4.1Å; A1086-L1098 HydrophobicContact CB-CD1 4.12Å |
| 1087 | R | 92.1 | Very high | 92 | Very high | 112 Ų | 112 | 49.5 Ų | 49.5 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 174.9 | -73.5 | 175.3 | 171.6 | 171.7 | 0.1 | 113 | L1083 P1084 F1085 I1089 K1090 E1095 | L1083-R1087 PolarHBondContact O-N 3.3Å; L1083-R1087 VanDerWaalsContact O-N 3.11Å; P1084-R1087 PolarHBondContact O-N 3.3Å; F1085-R1087 VanDerWaalsContact C-N 3.26Å; F1085-R1087 PolarHBondContact O-N 2.99Å; R1087-I1089 VanDerWaalsContact C-N 3.32Å; R1087-I1089 PolarHBondContact O-N 3.13Å; R1087-K1090 PolarHBondContact O-N 3.49Å; R1087-E1095 HydrophobicContact CG-CG 4.46Å; R1087-E1095 VanDerWaalsContact CG-OE1 3.28Å; R1087-E1095 WeakPolarHBondContact CG-OE1 3.3Å; R1087-E1095 IonicContact CZ-OE1 3.88Å; R1087-E1095 IonicContact NE-OE1 2.82Å; R1087-E1095 PolarHBondContact NE-OE1 2.78Å; R1087-E1095 IonicContact NH2-OE1 3.75Å |
| 1088 | S | 91.3 | Very high | 92 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 56% | 0.559 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.1 | -38.3 | 179.2 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | P1084 F1085 K1090 | P1084-S1088 WeakPolarHBondContact O-CB 3.41Å; P1084-S1088 PolarHBondContact O-N 3.4Å; F1085-S1088 WeakPolarHBondContact CA-OG 3.48Å; F1085-S1088 PolarHBondContact O-N 3.36Å; F1085-S1088 VanDerWaalsContact O-N 3.08Å; F1085-S1088 PolarHBondContact O-OG 3.24Å; S1088-K1090 VanDerWaalsContact C-N 3.31Å |
| 1089 | I | 92.3 | Very high | 92 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.6 | -19.5 | 177.5 | -63.1 | 165 | 0 | 0 | 0 | 111.3 | P1050 H1051 L1054 F1085 R1087 D1091 | P1050-I1089 HydrophobicContact CB-CD1 3.93Å; P1050-I1089 HydrophobicContact CB-CG1 3.97Å; P1050-I1089 HydrophobicContact CG-CD1 4.41Å; P1050-I1089 HydrophobicContact CG-CG1 4.22Å; P1050-I1089 WeakPolarHBondContact O-CD1 3.34Å; H1051-I1089 WeakPolarHBondContact CE1-CG2 3.41Å; L1054-I1089 HydrophobicContact CB-CD1 4.46Å; L1054-I1089 HydrophobicContact CD1-CD1 4.14Å; F1085-I1089 WeakPolarHBondContact O-CB 3.33Å; F1085-I1089 WeakPolarHBondContact O-CD1 3.22Å; F1085-I1089 VanDerWaalsContact O-CG1 3.26Å; F1085-I1089 WeakPolarHBondContact O-CG1 3.34Å; F1085-I1089 PolarHBondContact O-N 3.12Å; R1087-I1089 VanDerWaalsContact C-N 3.32Å; R1087-I1089 PolarHBondContact O-N 3.13Å; I1089-D1091 VanDerWaalsContact C-N 3.32Å; I1089-D1091 HydrophobicContact CG2-CB 4.21Å |
| 1090 | K | 90.4 | Very high | 92.1 | Very high | 173 Ų | 173 | 45.4 Ų | 45.4 | 75% | 0.752 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 34.2 | -171.5 | -52.1 | 178.4 | -179.8 | 177.2 | 0 | 113.1 | A1086 R1087 S1088 V1092 | A1086-K1090 WeakPolarHBondContact O-CA 3.46Å; A1086-K1090 PolarHBondContact O-N 3.26Å; R1087-K1090 PolarHBondContact O-N 3.49Å; S1088-K1090 VanDerWaalsContact C-N 3.31Å; K1090-V1092 PolarHBondContact O-N 3.14Å |
| 1091 | D | 92 | Very high | 92.3 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | trans | -82.9 | 94.3 | 172.7 | -178.1 | -4.3 | 0 | 0 | 0 | 110.4 | A1086 I1089 H1093 S1094 E1095 | A1086-D1091 PolarHBondContact O-N 3.13Å; I1089-D1091 VanDerWaalsContact C-N 3.32Å; I1089-D1091 HydrophobicContact CG2-CB 4.21Å; D1091-H1093 VanDerWaalsContact C-N 3.26Å; D1091-H1093 PolarHBondContact O-N 3.26Å; D1091-H1093 PolarHBondContact OD1-N 2.97Å; D1091-S1094 PolarHBondContact O-N 3.04Å; D1091-S1094 PolarHBondContact OD1-N 3.17Å; D1091-S1094 VanDerWaalsContact OD1-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.02Å; D1091-S1094 PolarHBondContact OD2-OG 2.89Å; D1091-E1095 WeakPolarHBondContact O-CB 3.48Å; D1091-E1095 PolarHBondContact O-N 3.4Å | ||
| 1092 | V | 91.6 | Very high | 92.3 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 28% | 0.279 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -31.8 | -178.1 | -169 | 0 | 0 | 0 | 0 | 111.9 | K1090 F1096 I1125 Q1128 T1129 | K1090-V1092 PolarHBondContact O-N 3.14Å; V1092-F1096 WeakPolarHBondContact O-CB 3.39Å; V1092-F1096 PolarHBondContact O-N 2.86Å; V1092-I1125 HydrophobicContact CG1-CG2 3.6Å; V1092-I1125 WeakPolarHBondContact O-CG2 3.47Å; V1092-Q1128 HydrophobicContact CG1-CB 3.95Å; V1092-T1129 HydrophobicContact CG1-CG2 3.8Å |
| 1093 | H | 90.7 | Very high | 92.3 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74.5 | -45.1 | -179.7 | -71 | -65.2 | 0 | 0 | 0 | 111.6 | D1091 R1097 | D1091-H1093 VanDerWaalsContact C-N 3.26Å; D1091-H1093 PolarHBondContact O-N 3.26Å; D1091-H1093 PolarHBondContact OD1-N 2.97Å; H1093-R1097 WeakPolarHBondContact O-CB 3.4Å; H1093-R1097 PolarHBondContact O-N 3.21Å |
| 1094 | S | 91.4 | Very high | 92 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -39 | 176 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | D1091 F1096 R1097 L1098 | D1091-S1094 PolarHBondContact O-N 3.04Å; D1091-S1094 PolarHBondContact OD1-N 3.17Å; D1091-S1094 VanDerWaalsContact OD1-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.02Å; D1091-S1094 PolarHBondContact OD2-OG 2.89Å; S1094-F1096 PolarHBondContact O-N 3.09Å; S1094-R1097 PolarHBondContact O-N 2.94Å; S1094-R1097 PolarHBondContact OG-NH2 2.97Å; S1094-R1097 VanDerWaalsContact OG-NH2 3.12Å; S1094-L1098 WeakPolarHBondContact O-CB 3.4Å; S1094-L1098 VanDerWaalsContact O-CG 3.23Å; S1094-L1098 WeakPolarHBondContact O-CG 3.48Å; S1094-L1098 PolarHBondContact O-N 3.37Å |
| 1095 | E | 93 | Very high | 91.7 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -49 | 174.2 | 179.2 | 167.1 | -164.4 | 0 | 0 | 111.7 | L1083 A1086 R1087 D1091 R1097 L1098 L1099 I1125 | L1083-E1095 HydrophobicContact CD1-CG 3.92Å; A1086-E1095 HydrophobicContact CB-CB 4.1Å; R1087-E1095 HydrophobicContact CG-CG 4.46Å; R1087-E1095 VanDerWaalsContact CG-OE1 3.28Å; R1087-E1095 WeakPolarHBondContact CG-OE1 3.3Å; R1087-E1095 IonicContact CZ-OE1 3.88Å; R1087-E1095 IonicContact NE-OE1 2.82Å; R1087-E1095 PolarHBondContact NE-OE1 2.78Å; R1087-E1095 IonicContact NH2-OE1 3.75Å; D1091-E1095 WeakPolarHBondContact O-CB 3.48Å; D1091-E1095 PolarHBondContact O-N 3.4Å; E1095-R1097 VanDerWaalsContact C-N 3.35Å; E1095-R1097 PolarHBondContact O-N 3.24Å; E1095-L1098 PolarHBondContact O-N 3.07Å; E1095-L1099 HydrophobicContact CG-CD1 3.85Å; E1095-L1099 HydrophobicContact CG-CG 4.36Å; E1095-L1099 WeakPolarHBondContact O-CB 3.49Å; E1095-L1099 VanDerWaalsContact O-CG 3.28Å; E1095-L1099 WeakPolarHBondContact O-CG 3.35Å; E1095-L1099 PolarHBondContact O-N 3.38Å; E1095-I1125 HydrophobicContact CB-CG2 4.47Å; E1095-I1125 HydrophobicContact CG-CG1 4.27Å; E1095-I1125 HydrophobicContact CG-CG2 4.32Å |
| 1096 | F | 94 | Very high | 91.5 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 175.4 | 171.7 | -103.1 | 0 | 0 | 0 | 112.4 | V1092 S1094 L1098 L1099 S1100 A1122 I1125 A1126 T1129 N1134 A1138 | V1092-F1096 WeakPolarHBondContact O-CB 3.39Å; V1092-F1096 PolarHBondContact O-N 2.86Å; S1094-F1096 PolarHBondContact O-N 3.09Å; F1096-L1098 VanDerWaalsContact C-N 3.33Å; F1096-L1098 PolarHBondContact O-N 3.34Å; F1096-L1099 PolarHBondContact O-N 2.76Å; F1096-S1100 VanDerWaalsContact CE2-OG 3.22Å; F1096-S1100 WeakPolarHBondContact CE2-OG 3.21Å; F1096-S1100 WeakPolarHBondContact CZ-OG 3.26Å; F1096-S1100 VanDerWaalsContact O-CB 3.25Å; F1096-S1100 WeakPolarHBondContact O-CB 3.17Å; F1096-S1100 PolarHBondContact O-N 3.15Å; F1096-S1100 PolarHBondContact O-OG 3.36Å; F1096-A1122 WeakPolarHBondContact CD2-O 3.39Å; F1096-A1122 HydrophobicContact CE2-CB 4.37Å; F1096-I1125 HydrophobicContact CB-CG2 3.91Å; F1096-A1126 HydrophobicContact CD2-CB 3.76Å; F1096-A1126 HydrophobicContact CE2-CB 3.64Å; F1096-A1126 HydrophobicContact CZ-CB 4.47Å; F1096-T1129 HydrophobicContact CB-CG2 4.12Å; F1096-N1134 HydrophobicContact CD1-CB 3.79Å; F1096-N1134 HydrophobicContact CE1-CB 3.33Å; F1096-N1134 WeakPolarHBondContact CE1-OD1 3.42Å; F1096-N1134 HydrophobicContact CE2-CB 4.23Å; F1096-N1134 HydrophobicContact CG-CB 4.4Å; F1096-N1134 HydrophobicContact CZ-CB 3.58Å; F1096-N1134 VanDerWaalsContact CZ-O 3.23Å; F1096-N1134 WeakPolarHBondContact CZ-O 3.29Å; F1096-A1138 HydrophobicContact CE2-CB 3.86Å; F1096-A1138 HydrophobicContact CZ-CB 4.39Å |
| 1097 | R | 92.7 | Very high | 91 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 39% | 0.392 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | -178.4 | -176.2 | 171.6 | 66.1 | -134.4 | -8.6 | 111.2 | E1058 H1093 S1094 E1095 S1100 K1101 | E1058-R1097 IonicContact OE1-CZ 2.74Å; E1058-R1097 IonicContact OE1-NE 3.54Å; E1058-R1097 PolarHBondContact OE1-NE 3.08Å; E1058-R1097 IonicContact OE1-NH2 2.69Å; E1058-R1097 IonicContact OE2-CZ 3.62Å; E1058-R1097 IonicContact OE2-NE 3.46Å; E1058-R1097 PolarHBondContact OE2-NE 2.98Å; E1058-R1097 IonicContact OE2-NH2 3.89Å; E1058-R1097 PolarHBondContact OE2-NH2 2.99Å; H1093-R1097 WeakPolarHBondContact O-CB 3.4Å; H1093-R1097 PolarHBondContact O-N 3.21Å; S1094-R1097 PolarHBondContact O-N 2.94Å; S1094-R1097 PolarHBondContact OG-NH2 2.97Å; S1094-R1097 VanDerWaalsContact OG-NH2 3.12Å; E1095-R1097 VanDerWaalsContact C-N 3.35Å; E1095-R1097 PolarHBondContact O-N 3.24Å; R1097-S1100 PolarHBondContact O-N 3.26Å; R1097-K1101 WeakPolarHBondContact O-CG 3.44Å; R1097-K1101 PolarHBondContact O-N 3.12Å |
| 1098 | L | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -45.6 | 179.7 | -67.7 | 169.5 | 0 | 0 | 0 | 112.5 | E1058 Y1078 S1082 L1083 A1086 S1094 E1095 F1096 S1100 K1101 L1102 | E1058-L1098 HydrophobicContact CB-CD2 4.26Å; E1058-L1098 HydrophobicContact CG-CD2 3.92Å; Y1078-L1098 HydrophobicContact CD1-CD2 3.72Å; Y1078-L1098 HydrophobicContact CE1-CD2 4.18Å; Y1078-L1098 HydrophobicContact CG-CD2 4.38Å; S1082-L1098 VanDerWaalsContact OG-CD1 3.28Å; S1082-L1098 WeakPolarHBondContact OG-CD1 3.36Å; S1082-L1098 WeakPolarHBondContact OG-CD2 3.46Å; L1083-L1098 HydrophobicContact CD1-CB 4.42Å; A1086-L1098 HydrophobicContact CB-CD1 4.12Å; S1094-L1098 WeakPolarHBondContact O-CB 3.4Å; S1094-L1098 VanDerWaalsContact O-CG 3.23Å; S1094-L1098 WeakPolarHBondContact O-CG 3.48Å; S1094-L1098 PolarHBondContact O-N 3.37Å; E1095-L1098 PolarHBondContact O-N 3.07Å; F1096-L1098 VanDerWaalsContact C-N 3.33Å; F1096-L1098 PolarHBondContact O-N 3.34Å; L1098-S1100 PolarHBondContact O-N 3.29Å; L1098-K1101 PolarHBondContact O-N 2.92Å; L1098-L1102 PolarHBondContact O-N 3.02Å |
| 1099 | L | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 174.2 | -70 | 171.8 | 0 | 0 | 0 | 111 | L1083 E1095 F1096 L1102 T1103 Y1118 L1121 A1122 I1125 | L1083-L1099 HydrophobicContact CD1-CD2 3.86Å; L1083-L1099 HydrophobicContact CD1-CG 3.86Å; L1083-L1099 HydrophobicContact CD2-CD2 3.8Å; E1095-L1099 HydrophobicContact CG-CD1 3.85Å; E1095-L1099 HydrophobicContact CG-CG 4.36Å; E1095-L1099 WeakPolarHBondContact O-CB 3.49Å; E1095-L1099 VanDerWaalsContact O-CG 3.28Å; E1095-L1099 WeakPolarHBondContact O-CG 3.35Å; E1095-L1099 PolarHBondContact O-N 3.38Å; F1096-L1099 PolarHBondContact O-N 2.76Å; L1099-L1102 PolarHBondContact O-N 2.92Å; L1099-T1103 WeakPolarHBondContact O-CB 3.37Å; L1099-T1103 PolarHBondContact O-N 3.41Å; L1099-T1103 PolarHBondContact O-OG1 3.22Å; L1099-Y1118 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1118 HydrophobicContact CD2-CE1 4.4Å; L1099-L1121 HydrophobicContact CD1-CB 4.08Å; L1099-L1121 HydrophobicContact CD2-CB 4.34Å; L1099-A1122 HydrophobicContact CB-CB 3.94Å; L1099-I1125 HydrophobicContact CD1-CG1 3.98Å |
| 1100 | S | 92 | Very high | 87.5 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.4 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | F1096 R1097 L1098 L1102 T1103 E1104 R1141 | F1096-S1100 VanDerWaalsContact CE2-OG 3.22Å; F1096-S1100 WeakPolarHBondContact CE2-OG 3.21Å; F1096-S1100 WeakPolarHBondContact CZ-OG 3.26Å; F1096-S1100 VanDerWaalsContact O-CB 3.25Å; F1096-S1100 WeakPolarHBondContact O-CB 3.17Å; F1096-S1100 PolarHBondContact O-N 3.15Å; F1096-S1100 PolarHBondContact O-OG 3.36Å; R1097-S1100 PolarHBondContact O-N 3.26Å; L1098-S1100 PolarHBondContact O-N 3.29Å; S1100-L1102 PolarHBondContact O-N 3.34Å; S1100-T1103 WeakPolarHBondContact O-CB 3.22Å; S1100-T1103 PolarHBondContact O-N 3.31Å; S1100-E1104 PolarHBondContact O-N 2.74Å; S1100-R1141 PolarHBondContact O-NH1 3.44Å |
| 1101 | K | 92.1 | Very high | 86.8 | Confident | 26 Ų | 26 | 48 Ų | 48 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 176.9 | -75.7 | 175 | 175 | -177.5 | 0 | 112.1 | E1058 D1062 F1065 Y1078 R1097 L1098 E1104 L1105 | E1058-K1101 IonicContact OE1-NZ 2.75Å; E1058-K1101 PolarHBondContact OE1-NZ 3.21Å; D1062-K1101 IonicContact OD1-NZ 2.71Å; D1062-K1101 PolarHBondContact OD1-NZ 3.43Å; D1062-K1101 IonicContact OD2-NZ 3.41Å; D1062-K1101 PolarHBondContact OD2-NZ 3.44Å; F1065-K1101 HydrophobicContact CE2-CB 4.42Å; F1065-K1101 HydrophobicContact CZ-CG 4.42Å; Y1078-K1101 HydrophobicContact CD2-CB 4.36Å; Y1078-K1101 HydrophobicContact CE1-CD 4.27Å; Y1078-K1101 HydrophobicContact CE2-CB 4.09Å; Y1078-K1101 HydrophobicContact CE2-CD 4.29Å; R1097-K1101 WeakPolarHBondContact O-CG 3.44Å; R1097-K1101 PolarHBondContact O-N 3.12Å; L1098-K1101 PolarHBondContact O-N 2.92Å; K1101-E1104 PolarHBondContact O-N 2.71Å; K1101-L1105 WeakPolarHBondContact O-CG 3.46Å; K1101-L1105 PolarHBondContact O-N 3.34Å |
| 1102 | L | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.6 | -76.9 | 170.5 | 0 | 0 | 0 | 112.3 | E1075 Y1078 R1079 L1083 L1098 L1099 S1100 E1104 L1105 L1106 Y1118 | E1075-L1102 HydrophobicContact CG-CD2 4.01Å; Y1078-L1102 HydrophobicContact CD2-CD2 4.32Å; R1079-L1102 HydrophobicContact CB-CD1 4.38Å; R1079-L1102 HydrophobicContact CB-CD2 4.31Å; L1083-L1102 HydrophobicContact CD2-CD1 4.18Å; L1098-L1102 PolarHBondContact O-N 3.02Å; L1099-L1102 PolarHBondContact O-N 2.92Å; S1100-L1102 PolarHBondContact O-N 3.34Å; L1102-E1104 VanDerWaalsContact C-N 3.31Å; L1102-E1104 PolarHBondContact O-N 3.43Å; L1102-L1105 PolarHBondContact O-N 2.94Å; L1102-L1106 WeakPolarHBondContact O-CG 3.28Å; L1102-L1106 PolarHBondContact O-N 3.45Å; L1102-Y1118 HydrophobicContact CB-CG 4.4Å; L1102-Y1118 HydrophobicContact CD1-CD1 4.18Å; L1102-Y1118 HydrophobicContact CD1-CE1 4.02Å |
| 1103 | T | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 111 | L1099 S1100 M1107 A1119 R1141 I1145 | L1099-T1103 WeakPolarHBondContact O-CB 3.37Å; L1099-T1103 PolarHBondContact O-N 3.41Å; L1099-T1103 PolarHBondContact O-OG1 3.22Å; S1100-T1103 WeakPolarHBondContact O-CB 3.22Å; S1100-T1103 PolarHBondContact O-N 3.31Å; T1103-M1107 HydrophobicContact CG2-CG 4.27Å; T1103-M1107 HydrophobicContact CG2-SD 3.85Å; T1103-M1107 VanDerWaalsContact O-CB 3.23Å; T1103-M1107 WeakPolarHBondContact O-CB 3.49Å; T1103-M1107 WeakPolarHBondContact O-CG 3.37Å; T1103-M1107 PolarHBondContact O-N 2.86Å; T1103-A1119 HydrophobicContact CG2-CB 3.63Å; T1103-A1119 PolarHBondContact OG1-N 2.91Å; T1103-R1141 HydrophobicContact CG2-CB 4.1Å; T1103-I1145 HydrophobicContact CG2-CD1 3.49Å; T1103-I1145 VanDerWaalsContact CG2-CD1 3.49Å |
| 1104 | E | 89.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.1 | -178 | 178.6 | 159.7 | 0 | 0 | 113.1 | F1065 S1100 K1101 L1102 N1108 R1141 | F1065-E1104 HydrophobicContact CE2-CG 4.49Å; F1065-E1104 HydrophobicContact CZ-CG 4.47Å; S1100-E1104 PolarHBondContact O-N 2.74Å; K1101-E1104 PolarHBondContact O-N 2.71Å; L1102-E1104 VanDerWaalsContact C-N 3.31Å; L1102-E1104 PolarHBondContact O-N 3.43Å; E1104-N1108 PolarHBondContact O-ND2 2.7Å; E1104-R1141 IonicContact OE2-CZ 3.66Å; E1104-R1141 IonicContact OE2-NH1 3.33Å; E1104-R1141 PolarHBondContact OE2-NH1 3.19Å; E1104-R1141 IonicContact OE2-NH2 3.6Å; E1104-R1141 PolarHBondContact OE2-NH2 3.5Å |
| 1105 | L | 87.7 | Confident | 85.3 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -52.9 | 176.4 | -75.5 | 163.8 | 0 | 0 | 0 | 111.2 | F1065 R1071 S1074 Y1078 K1101 L1102 M1107 N1108 | F1065-L1105 HydrophobicContact CD2-CD1 3.99Å; F1065-L1105 HydrophobicContact CD2-CD2 3.68Å; F1065-L1105 HydrophobicContact CD2-CG 3.73Å; F1065-L1105 HydrophobicContact CE2-CD1 4.49Å; F1065-L1105 HydrophobicContact CE2-CD2 4.13Å; F1065-L1105 HydrophobicContact CE2-CG 3.93Å; R1071-L1105 HydrophobicContact CB-CD2 4.31Å; R1071-L1105 HydrophobicContact CG-CD2 4.32Å; S1074-L1105 WeakPolarHBondContact OG-CD1 3.14Å; S1074-L1105 WeakPolarHBondContact OG-CD2 3.32Å; Y1078-L1105 HydrophobicContact CD2-CD1 3.85Å; Y1078-L1105 HydrophobicContact CE2-CD1 3.89Å; K1101-L1105 WeakPolarHBondContact O-CG 3.46Å; K1101-L1105 PolarHBondContact O-N 3.34Å; L1102-L1105 PolarHBondContact O-N 2.94Å; L1105-M1107 PolarHBondContact O-N 3.26Å; L1105-N1108 PolarHBondContact O-N 3.44Å |
| 1106 | L | 86.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.3 | -33.3 | -176.4 | -65 | 169.6 | 0 | 0 | 0 | 112.1 | M1072 L1102 N1108 Q1109 E1114 A1115 Y1118 | M1072-L1106 HydrophobicContact CE-CD2 4.32Å; L1102-L1106 WeakPolarHBondContact O-CG 3.28Å; L1102-L1106 PolarHBondContact O-N 3.45Å; L1106-N1108 PolarHBondContact O-N 2.94Å; L1106-Q1109 CarbonylContact O-C 3.59Å; L1106-Q1109 PolarHBondContact O-N 3.03Å; L1106-Q1109 VanDerWaalsContact O-N 3.07Å; L1106-E1114 HydrophobicContact CD1-CB 4.27Å; L1106-A1115 HydrophobicContact CB-CB 3.73Å; L1106-Y1118 HydrophobicContact CD1-CD2 3.49Å; L1106-Y1118 VanDerWaalsContact CD1-CD2 3.49Å; L1106-Y1118 HydrophobicContact CD1-CE2 3.78Å |
| 1107 | M | 83.3 | Confident | 84.9 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.8 | -31.9 | 174.5 | -84.9 | 175.3 | 71 | 0 | 0 | 114 | T1103 L1105 Q1109 R1141 T1144 I1145 | T1103-M1107 HydrophobicContact CG2-CG 4.27Å; T1103-M1107 HydrophobicContact CG2-SD 3.85Å; T1103-M1107 VanDerWaalsContact O-CB 3.23Å; T1103-M1107 WeakPolarHBondContact O-CB 3.49Å; T1103-M1107 WeakPolarHBondContact O-CG 3.37Å; T1103-M1107 PolarHBondContact O-N 2.86Å; L1105-M1107 PolarHBondContact O-N 3.26Å; M1107-Q1109 VanDerWaalsContact C-N 3.27Å; M1107-R1141 HydrophobicContact SD-CB 3.94Å; M1107-R1141 HydrophobicContact SD-CG 4.21Å; M1107-T1144 VanDerWaalsContact CE-CB 3.47Å; M1107-T1144 HydrophobicContact CE-CG2 3.41Å; M1107-T1144 VanDerWaalsContact CE-CG2 3.41Å; M1107-I1145 HydrophobicContact CE-CG1 4.31Å; M1107-I1145 HydrophobicContact CG-CD1 3.63Å; M1107-I1145 HydrophobicContact CG-CG1 3.34Å; M1107-I1145 HydrophobicContact SD-CD1 3.9Å; M1107-I1145 HydrophobicContact SD-CG1 3.84Å |
| 1108 | N | 71.9 | Confident | 84.9 | Confident | 112 Ų | 112 | 54.9 Ų | 54.9 | 60% | 0.599 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.8 | -178.1 | -69.2 | -43.2 | 0 | 0 | 0 | 112.6 | E1104 L1105 L1106 | E1104-N1108 PolarHBondContact O-ND2 2.7Å; L1105-N1108 PolarHBondContact O-N 3.44Å; L1106-N1108 PolarHBondContact O-N 2.94Å |
| 1109 | Q | 67.9 | Low | 84.8 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -117.8 | 162.5 | 176 | -60 | -160.7 | -8 | 0 | 0 | 110.2 | M1072 L1106 M1107 E1111 | M1072-Q1109 HydrophobicContact SD-CG 4.17Å; L1106-Q1109 CarbonylContact O-C 3.59Å; L1106-Q1109 PolarHBondContact O-N 3.03Å; L1106-Q1109 VanDerWaalsContact O-N 3.07Å; M1107-Q1109 VanDerWaalsContact C-N 3.27Å; Q1109-E1111 PolarHBondContact O-N 3.41Å |
| 1110 | R | 62 | Low | 84.7 | Confident | 242 Ų | 242 | 57 Ų | 57 | 91% | 0.913 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -75 | 14.7 | -171.2 | -67.9 | -175.6 | 178.2 | -176.2 | -0.6 | 114.3 | Q1112 | R1110-Q1112 VanDerWaalsContact C-N 3.29Å; R1110-Q1112 PolarHBondContact O-N 3.47Å; R1110-Q1112 VanDerWaalsContact O-N 3.15Å |
| 1111 | E | 74.9 | Confident | 84.7 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -90.2 | 62.7 | 179.9 | -66.9 | 176.2 | -171.4 | 0 | 0 | 110.8 | Q1109 E1113 A1115 | Q1109-E1111 PolarHBondContact O-N 3.41Å; E1111-E1113 VanDerWaalsContact C-N 3.33Å; E1111-E1113 PolarHBondContact O-N 3.16Å; E1111-A1115 PolarHBondContact O-N 3.21Å | ||
| 1112 | Q | 78.9 | Confident | 84.8 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -24.3 | -167.9 | -62.3 | 178.3 | -4.3 | 0 | 0 | 113.7 | R1110 L1116 N1148 L1149 | R1110-Q1112 VanDerWaalsContact C-N 3.29Å; R1110-Q1112 PolarHBondContact O-N 3.47Å; R1110-Q1112 VanDerWaalsContact O-N 3.15Å; Q1112-L1116 WeakPolarHBondContact O-CB 3.39Å; Q1112-L1116 PolarHBondContact O-N 2.82Å; Q1112-L1116 VanDerWaalsContact O-N 3.07Å; Q1112-N1148 PolarHBondContact NE2-O 3.42Å; Q1112-N1148 VanDerWaalsContact OE1-C 3.23Å; Q1112-N1148 PolarHBondContact OE1-O 3.07Å; Q1112-L1149 HydrophobicContact CB-CD2 3.46Å; Q1112-L1149 VanDerWaalsContact CB-CD2 3.46Å; Q1112-L1149 HydrophobicContact CB-CG 3.81Å; Q1112-L1149 HydrophobicContact CG-CD2 4.45Å; Q1112-L1149 VanDerWaalsContact OE1-CD2 3.27Å |
| 1113 | E | 82.4 | Confident | 84.8 | Confident | 155 Ų | 155 | 58.8 Ų | 58.8 | 72% | 0.724 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -72.5 | -41.9 | -178.9 | -65.2 | -176.1 | 174.8 | 0 | 0 | 112.4 | E1111 L1116 Q1117 | E1111-E1113 VanDerWaalsContact C-N 3.33Å; E1111-E1113 PolarHBondContact O-N 3.16Å; E1113-L1116 WeakPolarHBondContact O-CB 3.36Å; E1113-L1116 PolarHBondContact O-N 2.95Å; E1113-Q1117 PolarHBondContact O-N 2.73Å |
| 1114 | E | 84.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.2 | -39.2 | 174.5 | -66 | -166.4 | -177.8 | 0 | 0 | 111.5 | L1106 L1116 Q1117 Y1118 | L1106-E1114 HydrophobicContact CD1-CB 4.27Å; E1114-L1116 PolarHBondContact O-N 3.08Å; E1114-Q1117 WeakPolarHBondContact O-CB 3.29Å; E1114-Q1117 PolarHBondContact O-N 3.2Å; E1114-Q1117 VanDerWaalsContact O-N 3.07Å; E1114-Y1118 VanDerWaalsContact O-CD2 3.28Å; E1114-Y1118 WeakPolarHBondContact O-CD2 2.93Å; E1114-Y1118 PolarHBondContact O-N 2.93Å; E1114-Y1118 VanDerWaalsContact O-N 3.14Å |
| 1115 | A | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1106 E1111 Q1117 Y1118 A1119 I1145 | L1106-A1115 HydrophobicContact CB-CB 3.73Å; E1111-A1115 PolarHBondContact O-N 3.21Å; A1115-Q1117 PolarHBondContact O-N 3.08Å; A1115-Y1118 PolarHBondContact O-N 3.49Å; A1115-A1119 VanDerWaalsContact O-CB 3.26Å; A1115-A1119 WeakPolarHBondContact O-CB 3.36Å; A1115-A1119 PolarHBondContact O-N 3.11Å; A1115-I1145 HydrophobicContact CB-CD1 3.94Å; A1115-I1145 HydrophobicContact CB-CG1 4.24Å; A1115-I1145 WeakPolarHBondContact O-CD1 3.41Å |
| 1116 | L | 89.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.9 | -176.3 | 67.8 | 0 | 0 | 0 | 112 | Q1112 E1113 E1114 A1119 T1120 L1142 I1145 Y1146 L1149 | Q1112-L1116 WeakPolarHBondContact O-CB 3.39Å; Q1112-L1116 PolarHBondContact O-N 2.82Å; Q1112-L1116 VanDerWaalsContact O-N 3.07Å; E1113-L1116 WeakPolarHBondContact O-CB 3.36Å; E1113-L1116 PolarHBondContact O-N 2.95Å; E1114-L1116 PolarHBondContact O-N 3.08Å; L1116-A1119 PolarHBondContact O-N 2.99Å; L1116-T1120 HydrophobicContact CD1-CG2 4.39Å; L1116-T1120 VanDerWaalsContact O-CG2 3.29Å; L1116-T1120 WeakPolarHBondContact O-CG2 3.45Å; L1116-T1120 PolarHBondContact O-N 2.9Å; L1116-T1120 PolarHBondContact O-OG1 2.53Å; L1116-T1120 VanDerWaalsContact O-OG1 3.05Å; L1116-L1142 HydrophobicContact CD1-CD1 3.72Å; L1116-I1145 HydrophobicContact CB-CG2 3.94Å; L1116-I1145 HydrophobicContact CD1-CG2 4.03Å; L1116-Y1146 HydrophobicContact CD1-CD1 4.04Å; L1116-Y1146 HydrophobicContact CD1-CE1 3.54Å; L1116-Y1146 HydrophobicContact CD1-CE2 4.11Å; L1116-Y1146 HydrophobicContact CD2-CE1 4.25Å; L1116-L1149 HydrophobicContact CB-CD1 4.27Å; L1116-L1149 HydrophobicContact CD1-CD1 4.36Å; L1116-L1149 HydrophobicContact CD2-CD1 3.95Å; L1116-L1149 HydrophobicContact CG-CD1 4.43Å |
| 1117 | Q | 90.4 | Very high | 85 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63 | -48.6 | 177.7 | -64.4 | 176.7 | 18.5 | 0 | 0 | 111.4 | E1113 E1114 A1115 A1119 T1120 L1121 | E1113-Q1117 PolarHBondContact O-N 2.73Å; E1114-Q1117 WeakPolarHBondContact O-CB 3.29Å; E1114-Q1117 PolarHBondContact O-N 3.2Å; E1114-Q1117 VanDerWaalsContact O-N 3.07Å; A1115-Q1117 PolarHBondContact O-N 3.08Å; Q1117-A1119 PolarHBondContact O-N 3.29Å; Q1117-T1120 PolarHBondContact O-N 3.09Å; Q1117-T1120 PolarHBondContact O-OG1 3.3Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.24Å; Q1117-L1121 PolarHBondContact O-N 2.79Å; Q1117-L1121 VanDerWaalsContact O-N 3.12Å |
| 1118 | Y | 91.7 | Very high | 85.2 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177.7 | -69.6 | -68.2 | 0 | 0 | 0 | 112.8 | R1079 L1083 L1099 L1102 L1106 E1114 A1115 L1121 A1122 | R1079-Y1118 WeakPolarHBondContact CD-OH 3.46Å; R1079-Y1118 WeakPolarHBondContact CG-OH 3.16Å; L1083-Y1118 HydrophobicContact CD2-CE1 4.32Å; L1099-Y1118 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1118 HydrophobicContact CD2-CE1 4.4Å; L1102-Y1118 HydrophobicContact CB-CG 4.4Å; L1102-Y1118 HydrophobicContact CD1-CD1 4.18Å; L1102-Y1118 HydrophobicContact CD1-CE1 4.02Å; L1106-Y1118 HydrophobicContact CD1-CD2 3.49Å; L1106-Y1118 VanDerWaalsContact CD1-CD2 3.49Å; L1106-Y1118 HydrophobicContact CD1-CE2 3.78Å; E1114-Y1118 VanDerWaalsContact O-CD2 3.28Å; E1114-Y1118 WeakPolarHBondContact O-CD2 2.93Å; E1114-Y1118 PolarHBondContact O-N 2.93Å; E1114-Y1118 VanDerWaalsContact O-N 3.14Å; A1115-Y1118 PolarHBondContact O-N 3.49Å; Y1118-L1121 PolarHBondContact O-N 3.04Å; Y1118-A1122 WeakPolarHBondContact O-CB 3.5Å; Y1118-A1122 PolarHBondContact O-N 3.24Å |
| 1119 | A | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1103 A1115 L1116 Q1117 A1122 V1123 L1142 I1145 | T1103-A1119 HydrophobicContact CG2-CB 3.63Å; T1103-A1119 PolarHBondContact OG1-N 2.91Å; A1115-A1119 VanDerWaalsContact O-CB 3.26Å; A1115-A1119 WeakPolarHBondContact O-CB 3.36Å; A1115-A1119 PolarHBondContact O-N 3.11Å; L1116-A1119 PolarHBondContact O-N 2.99Å; Q1117-A1119 PolarHBondContact O-N 3.29Å; A1119-A1122 PolarHBondContact O-N 2.68Å; A1119-V1123 WeakPolarHBondContact O-CG2 3.25Å; A1119-V1123 PolarHBondContact O-N 3.32Å; A1119-L1142 HydrophobicContact CB-CB 4.22Å; A1119-L1142 HydrophobicContact CB-CD1 3.69Å; A1119-I1145 HydrophobicContact CB-CD1 3.43Å; A1119-I1145 VanDerWaalsContact CB-CD1 3.43Å |
| 1120 | T | 92.1 | Very high | 86.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 177.1 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | L1116 Q1117 V1123 Q1124 L1142 | L1116-T1120 HydrophobicContact CD1-CG2 4.39Å; L1116-T1120 VanDerWaalsContact O-CG2 3.29Å; L1116-T1120 WeakPolarHBondContact O-CG2 3.45Å; L1116-T1120 PolarHBondContact O-N 2.9Å; L1116-T1120 PolarHBondContact O-OG1 2.53Å; L1116-T1120 VanDerWaalsContact O-OG1 3.05Å; Q1117-T1120 PolarHBondContact O-N 3.09Å; Q1117-T1120 PolarHBondContact O-OG1 3.3Å; T1120-V1123 PolarHBondContact O-N 3.19Å; T1120-Q1124 WeakPolarHBondContact O-CG 3.48Å; T1120-Q1124 PolarHBondContact O-N 3.42Å; T1120-Q1124 VanDerWaalsContact O-N 3.14Å; T1120-L1142 HydrophobicContact CG2-CD1 3.8Å |
| 1121 | L | 92.9 | Very high | 87.4 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 29% | 0.293 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 171.6 | -69.4 | 171.7 | 0 | 0 | 0 | 111.7 | L1099 Q1117 Y1118 V1123 Q1124 I1125 | L1099-L1121 HydrophobicContact CD1-CB 4.08Å; L1099-L1121 HydrophobicContact CD2-CB 4.34Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.24Å; Q1117-L1121 PolarHBondContact O-N 2.79Å; Q1117-L1121 VanDerWaalsContact O-N 3.12Å; Y1118-L1121 PolarHBondContact O-N 3.04Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; L1121-V1123 PolarHBondContact O-N 3.39Å; L1121-Q1124 PolarHBondContact O-N 3.08Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.48Å; L1121-I1125 PolarHBondContact O-N 3.3Å |
| 1122 | A | 93.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F1096 L1099 Y1118 A1119 A1126 | F1096-A1122 WeakPolarHBondContact CD2-O 3.39Å; F1096-A1122 HydrophobicContact CE2-CB 4.37Å; L1099-A1122 HydrophobicContact CB-CB 3.94Å; Y1118-A1122 WeakPolarHBondContact O-CB 3.5Å; Y1118-A1122 PolarHBondContact O-N 3.24Å; A1119-A1122 PolarHBondContact O-N 2.68Å; A1122-A1126 WeakPolarHBondContact O-CB 3.38Å; A1122-A1126 PolarHBondContact O-N 3.15Å |
| 1123 | V | 91.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | A1119 T1120 L1121 I1125 A1126 N1127 A1138 Y1139 L1142 | A1119-V1123 WeakPolarHBondContact O-CG2 3.25Å; A1119-V1123 PolarHBondContact O-N 3.32Å; T1120-V1123 PolarHBondContact O-N 3.19Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; L1121-V1123 PolarHBondContact O-N 3.39Å; V1123-I1125 PolarHBondContact O-N 3.49Å; V1123-A1126 PolarHBondContact O-N 3.21Å; V1123-N1127 PolarHBondContact O-N 3.5Å; V1123-N1127 PolarHBondContact O-ND2 3.32Å; V1123-A1138 HydrophobicContact CB-CB 4.37Å; V1123-A1138 HydrophobicContact CG2-CB 3.64Å; V1123-Y1139 HydrophobicContact CG1-CD1 4.11Å; V1123-Y1139 HydrophobicContact CG1-CE1 3.49Å; V1123-Y1139 VanDerWaalsContact CG1-CE1 3.49Å; V1123-Y1139 HydrophobicContact CG1-CE2 3.93Å; V1123-Y1139 HydrophobicContact CG2-CD1 4.23Å; V1123-Y1139 HydrophobicContact CG2-CE1 4.42Å; V1123-Y1139 HydrophobicContact CG2-CG 4.45Å; V1123-L1142 HydrophobicContact CG2-CB 4.29Å; V1123-L1142 HydrophobicContact CG2-CD2 3.87Å |
| 1124 | Q | 90.4 | Very high | 88.3 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 178.5 | -70.9 | 174.2 | 2 | 0 | 0 | 111.8 | T1120 L1121 | T1120-Q1124 WeakPolarHBondContact O-CG 3.48Å; T1120-Q1124 PolarHBondContact O-N 3.42Å; T1120-Q1124 VanDerWaalsContact O-N 3.14Å; L1121-Q1124 PolarHBondContact O-N 3.08Å |
| 1125 | I | 92.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72 | -38.1 | 177.3 | -60 | -61.2 | 0 | 0 | 0 | 111.1 | V1092 E1095 F1096 L1099 L1121 V1123 N1127 Q1128 T1129 | V1092-I1125 HydrophobicContact CG1-CG2 3.6Å; V1092-I1125 WeakPolarHBondContact O-CG2 3.47Å; E1095-I1125 HydrophobicContact CB-CG2 4.47Å; E1095-I1125 HydrophobicContact CG-CG1 4.27Å; E1095-I1125 HydrophobicContact CG-CG2 4.32Å; F1096-I1125 HydrophobicContact CB-CG2 3.91Å; L1099-I1125 HydrophobicContact CD1-CG1 3.98Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.48Å; L1121-I1125 PolarHBondContact O-N 3.3Å; V1123-I1125 PolarHBondContact O-N 3.49Å; I1125-N1127 VanDerWaalsContact C-N 3.29Å; I1125-N1127 PolarHBondContact O-N 3.39Å; I1125-Q1128 WeakPolarHBondContact O-CA 3.09Å; I1125-Q1128 VanDerWaalsContact O-CB 3.32Å; I1125-Q1128 WeakPolarHBondContact O-CB 3.35Å; I1125-Q1128 PolarHBondContact O-N 2.59Å; I1125-T1129 PolarHBondContact O-N 2.87Å |
| 1126 | A | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1096 A1122 V1123 Q1128 T1129 N1134 E1135 A1138 | F1096-A1126 HydrophobicContact CD2-CB 3.76Å; F1096-A1126 HydrophobicContact CE2-CB 3.64Å; F1096-A1126 HydrophobicContact CZ-CB 4.47Å; A1122-A1126 WeakPolarHBondContact O-CB 3.38Å; A1122-A1126 PolarHBondContact O-N 3.15Å; V1123-A1126 PolarHBondContact O-N 3.21Å; A1126-Q1128 PolarHBondContact O-N 3.46Å; A1126-T1129 PolarHBondContact O-N 3Å; A1126-T1129 PolarHBondContact O-OG1 2.96Å; A1126-N1134 HydrophobicContact CB-CB 4.49Å; A1126-E1135 HydrophobicContact CB-CG 4.09Å; A1126-A1138 HydrophobicContact CB-CB 3.97Å |
| 1127 | N | 85.6 | Confident | 88.4 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -23 | 176.1 | -64.9 | -25.2 | 0 | 0 | 0 | 112.9 | V1123 I1125 | V1123-N1127 PolarHBondContact O-N 3.5Å; V1123-N1127 PolarHBondContact O-ND2 3.32Å; I1125-N1127 VanDerWaalsContact C-N 3.29Å; I1125-N1127 PolarHBondContact O-N 3.39Å |
| 1128 | Q | 86.6 | Confident | 88.4 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 61% | 0.612 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -86.2 | -20.5 | 176.6 | -59.2 | 173.5 | 2.9 | 0 | 0 | 112.4 | V1092 I1125 A1126 G1130 | V1092-Q1128 HydrophobicContact CG1-CB 3.95Å; I1125-Q1128 WeakPolarHBondContact O-CA 3.09Å; I1125-Q1128 VanDerWaalsContact O-CB 3.32Å; I1125-Q1128 WeakPolarHBondContact O-CB 3.35Å; I1125-Q1128 PolarHBondContact O-N 2.59Å; A1126-Q1128 PolarHBondContact O-N 3.46Å; Q1128-G1130 VanDerWaalsContact C-N 3.34Å |
| 1129 | T | 83.8 | Confident | 88.4 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.9 | -21.7 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | V1092 F1096 I1125 A1126 V1131 | V1092-T1129 HydrophobicContact CG1-CG2 3.8Å; F1096-T1129 HydrophobicContact CB-CG2 4.12Å; I1125-T1129 PolarHBondContact O-N 2.87Å; A1126-T1129 PolarHBondContact O-N 3Å; A1126-T1129 PolarHBondContact O-OG1 2.96Å; T1129-V1131 PolarHBondContact O-N 3.49Å; T1129-V1131 VanDerWaalsContact O-N 3.15Å; T1129-V1131 PolarHBondContact OG1-N 3.32Å |
| 1130 | G | 79.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | trans | 68.3 | 3.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1128 | Q1128-G1130 VanDerWaalsContact C-N 3.34Š| ||
| 1131 | V | 86.3 | Confident | 88.4 | Confident | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | trans | -97.2 | 109.3 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | T1129 E1133 N1134 E1135 | T1129-V1131 PolarHBondContact O-N 3.49Å; T1129-V1131 VanDerWaalsContact O-N 3.15Å; T1129-V1131 PolarHBondContact OG1-N 3.32Å; V1131-E1133 HydrophobicContact CG1-CB 4.2Å; V1131-E1133 PolarHBondContact O-N 3.35Å; V1131-E1133 VanDerWaalsContact O-N 3.14Å; V1131-N1134 HydrophobicContact CB-CB 4.25Å; V1131-N1134 HydrophobicContact CG1-CB 4.43Å; V1131-N1134 WeakPolarHBondContact O-CB 3.41Å; V1131-N1134 PolarHBondContact O-N 3.11Å; V1131-E1135 PolarHBondContact O-N 3.47Å | ||
| 1132 | R | 83.1 | Confident | 88.3 | Confident | 188 Ų | 188 | 52.8 Ų | 52.8 | 71% | 0.709 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.2 | -31.4 | -177.5 | -69 | -175.7 | 178.3 | 160.5 | 0.3 | 114 | N1134 E1135 R1136 | R1132-N1134 VanDerWaalsContact C-N 3.35Å; R1132-E1135 PolarHBondContact O-N 2.98Å; R1132-R1136 WeakPolarHBondContact O-CB 3.46Å; R1132-R1136 PolarHBondContact O-N 2.89Å |
| 1133 | E | 84 | Confident | 88.2 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.7 | -36.5 | 177.3 | -61.8 | -172.5 | 157.7 | 0 | 0 | 112.6 | V1131 T1137 | V1131-E1133 HydrophobicContact CG1-CB 4.2Å; V1131-E1133 PolarHBondContact O-N 3.35Å; V1131-E1133 VanDerWaalsContact O-N 3.14Å; E1133-T1137 WeakPolarHBondContact O-CB 3.4Å; E1133-T1137 VanDerWaalsContact O-CG2 3.28Å; E1133-T1137 WeakPolarHBondContact O-CG2 3.31Å; E1133-T1137 PolarHBondContact O-N 3.01Å; E1133-T1137 PolarHBondContact O-OG1 2.68Å |
| 1134 | N | 86.8 | Confident | 88.1 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 177.2 | -70.3 | -10.7 | 0 | 0 | 0 | 110.3 | F1096 A1126 V1131 R1132 R1136 T1137 A1138 | F1096-N1134 HydrophobicContact CD1-CB 3.79Å; F1096-N1134 HydrophobicContact CE1-CB 3.33Å; F1096-N1134 WeakPolarHBondContact CE1-OD1 3.42Å; F1096-N1134 HydrophobicContact CE2-CB 4.23Å; F1096-N1134 HydrophobicContact CG-CB 4.4Å; F1096-N1134 HydrophobicContact CZ-CB 3.58Å; F1096-N1134 VanDerWaalsContact CZ-O 3.23Å; F1096-N1134 WeakPolarHBondContact CZ-O 3.29Å; A1126-N1134 HydrophobicContact CB-CB 4.49Å; V1131-N1134 HydrophobicContact CB-CB 4.25Å; V1131-N1134 HydrophobicContact CG1-CB 4.43Å; V1131-N1134 WeakPolarHBondContact O-CB 3.41Å; V1131-N1134 PolarHBondContact O-N 3.11Å; R1132-N1134 VanDerWaalsContact C-N 3.35Å; N1134-R1136 PolarHBondContact O-N 2.74Å; N1134-T1137 WeakPolarHBondContact CA-OG1 3.49Å; N1134-T1137 PolarHBondContact O-N 2.96Å; N1134-T1137 PolarHBondContact O-OG1 2.88Å; N1134-A1138 WeakPolarHBondContact O-CB 3.4Å; N1134-A1138 PolarHBondContact O-N 2.85Å |
| 1135 | E | 87.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 174.8 | -64.9 | 176.7 | -173.4 | 0 | 0 | 111.1 | A1126 V1131 R1132 T1137 A1138 Y1139 L1165 | A1126-E1135 HydrophobicContact CB-CG 4.09Å; V1131-E1135 PolarHBondContact O-N 3.47Å; R1132-E1135 PolarHBondContact O-N 2.98Å; E1135-T1137 PolarHBondContact O-N 3.42Å; E1135-A1138 PolarHBondContact O-N 3.29Å; E1135-Y1139 WeakPolarHBondContact O-CD2 3.47Å; E1135-Y1139 PolarHBondContact O-N 3.24Å; E1135-L1165 HydrophobicContact CB-CD1 3.7Å |
| 1136 | R | 88 | Confident | 88 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55 | -50.9 | 176.4 | 179.7 | -170.7 | 65.7 | -178.9 | -4.6 | 111.4 | R1132 N1134 A1138 H1140 S1162 L1165 C1166 | R1132-R1136 WeakPolarHBondContact O-CB 3.46Å; R1132-R1136 PolarHBondContact O-N 2.89Å; N1134-R1136 PolarHBondContact O-N 2.74Å; R1136-A1138 VanDerWaalsContact C-N 3.32Å; R1136-A1138 PolarHBondContact O-N 3.15Å; R1136-H1140 VanDerWaalsContact O-CB 3.28Å; R1136-H1140 WeakPolarHBondContact O-CB 3.47Å; R1136-H1140 PolarHBondContact O-N 3.46Å; R1136-S1162 PolarHBondContact O-OG 3.06Å; R1136-S1162 VanDerWaalsContact O-OG 3.14Å; R1136-L1165 HydrophobicContact CB-CB 4.22Å; R1136-C1166 WeakPolarHBondContact CD-SG 3.4Å |
| 1137 | T | 89.1 | Confident | 87.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | -178 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | E1133 N1134 E1135 R1141 | E1133-T1137 WeakPolarHBondContact O-CB 3.4Å; E1133-T1137 VanDerWaalsContact O-CG2 3.28Å; E1133-T1137 WeakPolarHBondContact O-CG2 3.31Å; E1133-T1137 PolarHBondContact O-N 3.01Å; E1133-T1137 PolarHBondContact O-OG1 2.68Å; N1134-T1137 WeakPolarHBondContact CA-OG1 3.49Å; N1134-T1137 PolarHBondContact O-N 2.96Å; N1134-T1137 PolarHBondContact O-OG1 2.88Å; E1135-T1137 PolarHBondContact O-N 3.42Å; T1137-R1141 VanDerWaalsContact O-CG 3.29Å; T1137-R1141 WeakPolarHBondContact O-CG 3.49Å; T1137-R1141 PolarHBondContact O-N 3.15Å |
| 1138 | A | 90.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -53 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1096 V1123 A1126 N1134 E1135 R1136 H1140 R1141 L1142 | F1096-A1138 HydrophobicContact CE2-CB 3.86Å; F1096-A1138 HydrophobicContact CZ-CB 4.39Å; V1123-A1138 HydrophobicContact CB-CB 4.37Å; V1123-A1138 HydrophobicContact CG2-CB 3.64Å; A1126-A1138 HydrophobicContact CB-CB 3.97Å; N1134-A1138 WeakPolarHBondContact O-CB 3.4Å; N1134-A1138 PolarHBondContact O-N 2.85Å; E1135-A1138 PolarHBondContact O-N 3.29Å; R1136-A1138 VanDerWaalsContact C-N 3.32Å; R1136-A1138 PolarHBondContact O-N 3.15Å; A1138-H1140 VanDerWaalsContact C-N 3.28Å; A1138-H1140 PolarHBondContact O-N 2.83Å; A1138-R1141 PolarHBondContact O-N 3.03Å; A1138-L1142 WeakPolarHBondContact O-CB 3.39Å; A1138-L1142 PolarHBondContact O-N 3.47Å |
| 1139 | Y | 92 | Very high | 87.9 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 178 | -78.1 | -69.6 | 0 | 0 | 0 | 111.8 | V1123 E1135 L1142 A1143 N1158 K1161 L1165 | V1123-Y1139 HydrophobicContact CG1-CD1 4.11Å; V1123-Y1139 HydrophobicContact CG1-CE1 3.49Å; V1123-Y1139 VanDerWaalsContact CG1-CE1 3.49Å; V1123-Y1139 HydrophobicContact CG1-CE2 3.93Å; V1123-Y1139 HydrophobicContact CG2-CD1 4.23Å; V1123-Y1139 HydrophobicContact CG2-CE1 4.42Å; V1123-Y1139 HydrophobicContact CG2-CG 4.45Å; E1135-Y1139 WeakPolarHBondContact O-CD2 3.47Å; E1135-Y1139 PolarHBondContact O-N 3.24Å; Y1139-L1142 PolarHBondContact O-N 3.3Å; Y1139-A1143 VanDerWaalsContact O-CB 3.28Å; Y1139-A1143 WeakPolarHBondContact O-CB 3.41Å; Y1139-A1143 PolarHBondContact O-N 3.02Å; Y1139-N1158 WeakPolarHBondContact CD1-OD1 3.29Å; Y1139-K1161 HydrophobicContact CD1-CB 4.22Å; Y1139-K1161 HydrophobicContact CD1-CG 3.87Å; Y1139-K1161 HydrophobicContact CD2-CG 4.07Å; Y1139-K1161 HydrophobicContact CE1-CG 3.81Å; Y1139-K1161 HydrophobicContact CE2-CG 4.05Å; Y1139-K1161 HydrophobicContact CG-CB 4.39Å; Y1139-K1161 HydrophobicContact CG-CG 4Å; Y1139-L1165 HydrophobicContact CD2-CD1 3.66Å; Y1139-L1165 HydrophobicContact CE2-CD1 4.06Å |
| 1140 | H | 91.1 | Very high | 88 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 175.3 | -179.1 | 75.2 | 0 | 0 | 0 | 113.2 | R1136 A1138 T1144 Y1159 Y1178 I1182 | R1136-H1140 VanDerWaalsContact O-CB 3.28Å; R1136-H1140 WeakPolarHBondContact O-CB 3.47Å; R1136-H1140 PolarHBondContact O-N 3.46Å; A1138-H1140 VanDerWaalsContact C-N 3.28Å; A1138-H1140 PolarHBondContact O-N 2.83Å; H1140-T1144 WeakPolarHBondContact O-CB 3.26Å; H1140-T1144 PolarHBondContact O-N 3.34Å; H1140-T1144 VanDerWaalsContact O-N 3.09Å; H1140-T1144 PolarHBondContact O-OG1 3.27Å; H1140-Y1159 AromaticContact CE1-CE1 3.88Å; H1140-Y1159 AromaticContact ND1-CE1 3.69Å; H1140-Y1178 WeakPolarHBondContact CB-OH 3.29Å; H1140-Y1178 AromaticContact CE1-CE2 3.76Å; H1140-Y1178 VanDerWaalsContact CG-OH 3.29Å; H1140-Y1178 AromaticContact ND1-CE2 3.76Å; H1140-Y1178 AromaticContact ND1-CZ 3.79Å; H1140-Y1178 PolarHBondContact ND1-OH 3.14Å; H1140-Y1178 VanDerWaalsContact ND1-OH 3.14Å; H1140-I1182 WeakPolarHBondContact ND1-CD1 3.31Å |
| 1141 | R | 90.6 | Very high | 88.5 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 177.7 | -73.1 | 173.7 | -174.1 | -146.3 | -9.3 | 110.5 | S1100 T1103 E1104 M1107 T1137 A1138 T1144 I1145 | S1100-R1141 PolarHBondContact O-NH1 3.44Å; T1103-R1141 HydrophobicContact CG2-CB 4.1Å; E1104-R1141 IonicContact OE2-CZ 3.66Å; E1104-R1141 IonicContact OE2-NH1 3.33Å; E1104-R1141 PolarHBondContact OE2-NH1 3.19Å; E1104-R1141 IonicContact OE2-NH2 3.6Å; E1104-R1141 PolarHBondContact OE2-NH2 3.5Å; M1107-R1141 HydrophobicContact SD-CB 3.94Å; M1107-R1141 HydrophobicContact SD-CG 4.21Å; T1137-R1141 VanDerWaalsContact O-CG 3.29Å; T1137-R1141 WeakPolarHBondContact O-CG 3.49Å; T1137-R1141 PolarHBondContact O-N 3.15Å; A1138-R1141 PolarHBondContact O-N 3.03Å; R1141-T1144 PolarHBondContact O-N 3.43Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.36Å; R1141-I1145 PolarHBondContact O-N 3.05Å |
| 1142 | L | 92.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 175.3 | -176.7 | 63.4 | 0 | 0 | 0 | 112.4 | L1116 A1119 T1120 V1123 A1138 Y1139 T1144 I1145 Y1146 | L1116-L1142 HydrophobicContact CD1-CD1 3.72Å; A1119-L1142 HydrophobicContact CB-CB 4.22Å; A1119-L1142 HydrophobicContact CB-CD1 3.69Å; T1120-L1142 HydrophobicContact CG2-CD1 3.8Å; V1123-L1142 HydrophobicContact CG2-CB 4.29Å; V1123-L1142 HydrophobicContact CG2-CD2 3.87Å; A1138-L1142 WeakPolarHBondContact O-CB 3.39Å; A1138-L1142 PolarHBondContact O-N 3.47Å; Y1139-L1142 PolarHBondContact O-N 3.3Å; L1142-T1144 VanDerWaalsContact C-N 3.26Å; L1142-T1144 PolarHBondContact O-N 2.97Å; L1142-I1145 PolarHBondContact O-N 3.39Å; L1142-I1145 VanDerWaalsContact O-N 3.15Å; L1142-Y1146 HydrophobicContact CD1-CD2 4.09Å; L1142-Y1146 HydrophobicContact CD1-CE2 3.6Å; L1142-Y1146 HydrophobicContact CD2-CE2 4.03Å; L1142-Y1146 HydrophobicContact CG-CD2 3.89Å; L1142-Y1146 HydrophobicContact CG-CE2 3.58Å; L1142-Y1146 WeakPolarHBondContact O-CD2 3.39Å; L1142-Y1146 PolarHBondContact O-N 2.65Å |
| 1143 | A | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1139 I1145 Y1146 Y1147 A1155 N1158 Y1159 | Y1139-A1143 VanDerWaalsContact O-CB 3.28Å; Y1139-A1143 WeakPolarHBondContact O-CB 3.41Å; Y1139-A1143 PolarHBondContact O-N 3.02Å; A1143-I1145 VanDerWaalsContact C-N 3.34Å; A1143-Y1146 PolarHBondContact O-N 3.21Å; A1143-Y1147 WeakPolarHBondContact O-CB 3.33Å; A1143-Y1147 PolarHBondContact O-N 3.46Å; A1143-A1155 WeakPolarHBondContact O-CB 3.18Å; A1143-N1158 HydrophobicContact CB-CB 3.6Å; A1143-Y1159 HydrophobicContact CB-CD1 3.47Å; A1143-Y1159 VanDerWaalsContact CB-CD1 3.47Å; A1143-Y1159 HydrophobicContact CB-CD2 3.78Å; A1143-Y1159 HydrophobicContact CB-CE1 3.57Å; A1143-Y1159 HydrophobicContact CB-CE2 3.91Å; A1143-Y1159 HydrophobicContact CB-CG 3.55Å |
| 1144 | T | 89.3 | Confident | 88.9 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -32.9 | 178.9 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | M1107 H1140 R1141 L1142 N1148 Y1159 | M1107-T1144 VanDerWaalsContact CE-CB 3.47Å; M1107-T1144 HydrophobicContact CE-CG2 3.41Å; M1107-T1144 VanDerWaalsContact CE-CG2 3.41Å; H1140-T1144 WeakPolarHBondContact O-CB 3.26Å; H1140-T1144 PolarHBondContact O-N 3.34Å; H1140-T1144 VanDerWaalsContact O-N 3.09Å; H1140-T1144 PolarHBondContact O-OG1 3.27Å; R1141-T1144 PolarHBondContact O-N 3.43Å; L1142-T1144 VanDerWaalsContact C-N 3.26Å; L1142-T1144 PolarHBondContact O-N 2.97Å; T1144-N1148 PolarHBondContact O-N 3.05Å; T1144-N1148 VanDerWaalsContact O-N 3.12Å; T1144-N1148 PolarHBondContact O-ND2 2.93Å; T1144-N1148 PolarHBondContact O-OD1 2.89Å; T1144-Y1159 VanDerWaalsContact CA-OH 3.3Å; T1144-Y1159 WeakPolarHBondContact CA-OH 3.34Å; T1144-Y1159 WeakPolarHBondContact CB-OH 3.47Å; T1144-Y1159 PolarHBondContact OG1-OH 2.99Å |
| 1145 | I | 89.8 | Confident | 89 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -46.3 | 173 | -68.4 | 158.9 | 0 | 0 | 0 | 111.1 | T1103 M1107 A1115 L1116 A1119 R1141 L1142 A1143 Y1147 N1148 L1149 | T1103-I1145 HydrophobicContact CG2-CD1 3.49Å; T1103-I1145 VanDerWaalsContact CG2-CD1 3.49Å; M1107-I1145 HydrophobicContact CE-CG1 4.31Å; M1107-I1145 HydrophobicContact CG-CD1 3.63Å; M1107-I1145 HydrophobicContact CG-CG1 3.34Å; M1107-I1145 HydrophobicContact SD-CD1 3.9Å; M1107-I1145 HydrophobicContact SD-CG1 3.84Å; A1115-I1145 HydrophobicContact CB-CD1 3.94Å; A1115-I1145 HydrophobicContact CB-CG1 4.24Å; A1115-I1145 WeakPolarHBondContact O-CD1 3.41Å; L1116-I1145 HydrophobicContact CB-CG2 3.94Å; L1116-I1145 HydrophobicContact CD1-CG2 4.03Å; A1119-I1145 HydrophobicContact CB-CD1 3.43Å; A1119-I1145 VanDerWaalsContact CB-CD1 3.43Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.36Å; R1141-I1145 PolarHBondContact O-N 3.05Å; L1142-I1145 PolarHBondContact O-N 3.39Å; L1142-I1145 VanDerWaalsContact O-N 3.15Å; A1143-I1145 VanDerWaalsContact C-N 3.34Å; I1145-Y1147 VanDerWaalsContact C-N 3.27Å; I1145-Y1147 PolarHBondContact O-N 3.46Å; I1145-N1148 WeakPolarHBondContact O-CB 3.4Å; I1145-N1148 PolarHBondContact O-N 2.93Å; I1145-L1149 HydrophobicContact CG2-CD1 3.83Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 PolarHBondContact O-N 3.47Å |
| 1146 | Y | 90.3 | Very high | 89 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -38.5 | 175.7 | -78.8 | -56 | 0 | 0 | 0 | 112.6 | L1116 L1142 A1143 N1148 L1149 Q1150 Q1151 M1154 N1158 | L1116-Y1146 HydrophobicContact CD1-CD1 4.04Å; L1116-Y1146 HydrophobicContact CD1-CE1 3.54Å; L1116-Y1146 HydrophobicContact CD1-CE2 4.11Å; L1116-Y1146 HydrophobicContact CD2-CE1 4.25Å; L1142-Y1146 HydrophobicContact CD1-CD2 4.09Å; L1142-Y1146 HydrophobicContact CD1-CE2 3.6Å; L1142-Y1146 HydrophobicContact CD2-CE2 4.03Å; L1142-Y1146 HydrophobicContact CG-CD2 3.89Å; L1142-Y1146 HydrophobicContact CG-CE2 3.58Å; L1142-Y1146 WeakPolarHBondContact O-CD2 3.39Å; L1142-Y1146 PolarHBondContact O-N 2.65Å; A1143-Y1146 PolarHBondContact O-N 3.21Å; Y1146-N1148 VanDerWaalsContact C-N 3.33Å; Y1146-N1148 PolarHBondContact O-N 2.89Å; Y1146-L1149 CarbonylContact O-C 3.56Å; Y1146-L1149 PolarHBondContact O-N 3.39Å; Y1146-Q1150 PolarHBondContact O-N 3.13Å; Y1146-Q1151 HydrophobicContact CD1-CB 4.02Å; Y1146-Q1151 PolarHBondContact O-N 2.9Å; Y1146-M1154 HydrophobicContact CD1-CB 3.89Å; Y1146-M1154 HydrophobicContact CD2-CB 3.97Å; Y1146-M1154 HydrophobicContact CE1-CB 4.16Å; Y1146-M1154 HydrophobicContact CE2-CB 4.23Å; Y1146-M1154 HydrophobicContact CG-CB 3.79Å; Y1146-N1158 WeakPolarHBondContact CE2-ND2 3.47Å |
| 1147 | Y | 87.8 | Confident | 89.2 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 173.1 | 177.4 | -93.4 | 0 | 0 | 0 | 111.6 | A1143 I1145 L1149 Q1150 Y1152 I1189 | A1143-Y1147 WeakPolarHBondContact O-CB 3.33Å; A1143-Y1147 PolarHBondContact O-N 3.46Å; I1145-Y1147 VanDerWaalsContact C-N 3.27Å; I1145-Y1147 PolarHBondContact O-N 3.46Å; Y1147-L1149 VanDerWaalsContact C-N 3.34Å; Y1147-Q1150 PolarHBondContact O-N 2.95Å; Y1147-Y1152 HydrophobicContact CD2-CD1 4.05Å; Y1147-Y1152 AromaticContact CD2-CE1 3.95Å; Y1147-Y1152 HydrophobicContact CD2-CE1 3.95Å; Y1147-Y1152 HydrophobicContact CE2-CD1 4.37Å; Y1147-Y1152 HydrophobicContact CE2-CE1 4.02Å; Y1147-I1189 HydrophobicContact CD2-CD1 3.48Å; Y1147-I1189 VanDerWaalsContact CD2-CD1 3.48Å; Y1147-I1189 HydrophobicContact CD2-CG1 3.54Å; Y1147-I1189 HydrophobicContact CE2-CD1 3.86Å; Y1147-I1189 HydrophobicContact CE2-CG1 3.43Å; Y1147-I1189 VanDerWaalsContact CE2-CG1 3.43Å |
| 1148 | N | 85.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 179 | -72.2 | -11.6 | 0 | 0 | 0 | 112.7 | Q1112 T1144 I1145 Y1146 Q1150 | Q1112-N1148 PolarHBondContact NE2-O 3.42Å; Q1112-N1148 VanDerWaalsContact OE1-C 3.23Å; Q1112-N1148 PolarHBondContact OE1-O 3.07Å; T1144-N1148 PolarHBondContact O-N 3.05Å; T1144-N1148 VanDerWaalsContact O-N 3.12Å; T1144-N1148 PolarHBondContact O-ND2 2.93Å; T1144-N1148 PolarHBondContact O-OD1 2.89Å; I1145-N1148 WeakPolarHBondContact O-CB 3.4Å; I1145-N1148 PolarHBondContact O-N 2.93Å; Y1146-N1148 VanDerWaalsContact C-N 3.33Å; Y1146-N1148 PolarHBondContact O-N 2.89Å; N1148-Q1150 PolarHBondContact O-N 3.41Å |
| 1149 | L | 87.4 | Confident | 89.4 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2.3 | 174.2 | -75.3 | 168.5 | 0 | 0 | 0 | 114 | Q1112 L1116 I1145 Y1146 Y1147 Q1151 | Q1112-L1149 HydrophobicContact CB-CD2 3.46Å; Q1112-L1149 VanDerWaalsContact CB-CD2 3.46Å; Q1112-L1149 HydrophobicContact CB-CG 3.81Å; Q1112-L1149 HydrophobicContact CG-CD2 4.45Å; Q1112-L1149 VanDerWaalsContact OE1-CD2 3.27Å; L1116-L1149 HydrophobicContact CB-CD1 4.27Å; L1116-L1149 HydrophobicContact CD1-CD1 4.36Å; L1116-L1149 HydrophobicContact CD2-CD1 3.95Å; L1116-L1149 HydrophobicContact CG-CD1 4.43Å; I1145-L1149 HydrophobicContact CG2-CD1 3.83Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 PolarHBondContact O-N 3.47Å; Y1146-L1149 CarbonylContact O-C 3.56Å; Y1146-L1149 PolarHBondContact O-N 3.39Å; Y1147-L1149 VanDerWaalsContact C-N 3.34Å; L1149-Q1151 HydrophobicContact CB-CG 4.49Å; L1149-Q1151 PolarHBondContact O-N 3Å |
| 1150 | Q | 86.9 | Confident | 89.3 | Confident | 144 Ų | 144 | 52.1 Ų | 52.1 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 20.2 | -176.9 | -50.9 | 178.3 | -1.2 | 0 | 0 | 114.5 | Y1146 Y1147 N1148 Y1152 | Y1146-Q1150 PolarHBondContact O-N 3.13Å; Y1147-Q1150 PolarHBondContact O-N 2.95Å; N1148-Q1150 PolarHBondContact O-N 3.41Å; Q1150-Y1152 HydrophobicContact CB-CE2 3.91Å; Q1150-Y1152 WeakPolarHBondContact O-CD2 3.47Å; Q1150-Y1152 PolarHBondContact O-N 3.37Å |
| 1151 | Q | 89.8 | Confident | 89.2 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | trans | -92.7 | 70.8 | 173.5 | -66.4 | -176.8 | 1.4 | 0 | 0 | 109.6 | Y1146 L1149 E1153 M1154 A1155 | Y1146-Q1151 HydrophobicContact CD1-CB 4.02Å; Y1146-Q1151 PolarHBondContact O-N 2.9Å; L1149-Q1151 HydrophobicContact CB-CG 4.49Å; L1149-Q1151 PolarHBondContact O-N 3Å; Q1151-E1153 PolarHBondContact O-N 2.98Å; Q1151-M1154 HydrophobicContact CB-CB 4.43Å; Q1151-M1154 PolarHBondContact O-N 2.88Å; Q1151-A1155 PolarHBondContact O-N 2.98Å | ||
| 1152 | Y | 87.1 | Confident | 89.2 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | -166.8 | -62.5 | -61.8 | 0 | 0 | 0 | 114.7 | Y1147 Q1150 M1154 A1155 E1156 I1189 E1193 | Y1147-Y1152 HydrophobicContact CD2-CD1 4.05Å; Y1147-Y1152 AromaticContact CD2-CE1 3.95Å; Y1147-Y1152 HydrophobicContact CD2-CE1 3.95Å; Y1147-Y1152 HydrophobicContact CE2-CD1 4.37Å; Y1147-Y1152 HydrophobicContact CE2-CE1 4.02Å; Q1150-Y1152 HydrophobicContact CB-CE2 3.91Å; Q1150-Y1152 WeakPolarHBondContact O-CD2 3.47Å; Q1150-Y1152 PolarHBondContact O-N 3.37Å; Y1152-M1154 VanDerWaalsContact C-N 3.34Å; Y1152-M1154 PolarHBondContact O-N 3.23Å; Y1152-A1155 WeakPolarHBondContact O-CB 3.47Å; Y1152-A1155 PolarHBondContact O-N 3.43Å; Y1152-E1156 PolarHBondContact O-N 3.3Å; Y1152-I1189 HydrophobicContact CD1-CG2 4.18Å; Y1152-I1189 HydrophobicContact CG-CG2 4.33Å; Y1152-E1193 HydrophobicContact CD1-CB 4.29Å; Y1152-E1193 HydrophobicContact CD1-CG 4.12Å; Y1152-E1193 HydrophobicContact CD2-CB 3.54Å; Y1152-E1193 HydrophobicContact CD2-CG 3.87Å; Y1152-E1193 HydrophobicContact CE1-CG 3.92Å; Y1152-E1193 HydrophobicContact CE2-CB 3.81Å; Y1152-E1193 HydrophobicContact CE2-CG 3.63Å; Y1152-E1193 WeakPolarHBondContact CE2-OE2 3.3Å; Y1152-E1193 HydrophobicContact CG-CB 3.8Å; Y1152-E1193 HydrophobicContact CG-CG 4.1Å |
| 1153 | E | 86.1 | Confident | 88.9 | Confident | 149 Ų | 149 | 51.2 Ų | 51.2 | 70% | 0.696 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.1 | -42.4 | 176.3 | -63.1 | 177.2 | 176.3 | 0 | 0 | 111.5 | Q1151 E1156 Y1157 L1194 | Q1151-E1153 PolarHBondContact O-N 2.98Å; E1153-E1156 PolarHBondContact O-N 3.14Å; E1153-Y1157 PolarHBondContact O-N 3.44Å; E1153-Y1157 VanDerWaalsContact O-N 3.11Å; E1153-L1194 HydrophobicContact CG-CD2 3.79Å |
| 1154 | M | 88.4 | Confident | 88.8 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 176.6 | -62.7 | -64.8 | -96.5 | 0 | 0 | 111.4 | Y1146 Q1151 Y1152 N1158 | Y1146-M1154 HydrophobicContact CD1-CB 3.89Å; Y1146-M1154 HydrophobicContact CD2-CB 3.97Å; Y1146-M1154 HydrophobicContact CE1-CB 4.16Å; Y1146-M1154 HydrophobicContact CE2-CB 4.23Å; Y1146-M1154 HydrophobicContact CG-CB 3.79Å; Q1151-M1154 HydrophobicContact CB-CB 4.43Å; Q1151-M1154 PolarHBondContact O-N 2.88Å; Y1152-M1154 VanDerWaalsContact C-N 3.34Å; Y1152-M1154 PolarHBondContact O-N 3.23Å; M1154-N1158 PolarHBondContact O-N 2.9Å; M1154-N1158 VanDerWaalsContact O-N 3.13Å; M1154-N1158 PolarHBondContact O-ND2 3.26Å |
| 1155 | A | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1143 Q1151 Y1152 N1158 Y1159 | A1143-A1155 WeakPolarHBondContact O-CB 3.18Å; Q1151-A1155 PolarHBondContact O-N 2.98Å; Y1152-A1155 WeakPolarHBondContact O-CB 3.47Å; Y1152-A1155 PolarHBondContact O-N 3.43Å; A1155-N1158 PolarHBondContact O-N 2.99Å; A1155-Y1159 WeakPolarHBondContact O-CB 3.39Å; A1155-Y1159 WeakPolarHBondContact O-CD2 3.39Å; A1155-Y1159 PolarHBondContact O-N 3.18Å |
| 1156 | E | 88.3 | Confident | 88.1 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -51.9 | 176.5 | -178.9 | 173.8 | -161 | 0 | 0 | 111.2 | Y1152 E1153 N1158 Y1159 L1160 L1186 T1190 L1194 Y1203 | Y1152-E1156 PolarHBondContact O-N 3.3Å; E1153-E1156 PolarHBondContact O-N 3.14Å; E1156-N1158 PolarHBondContact O-N 2.83Å; E1156-Y1159 PolarHBondContact O-N 3.31Å; E1156-L1160 HydrophobicContact CG-CD1 4.03Å; E1156-L1160 HydrophobicContact CG-CG 4.46Å; E1156-L1160 WeakPolarHBondContact O-CG 3.47Å; E1156-L1160 PolarHBondContact O-N 3.28Å; E1156-L1186 HydrophobicContact CB-CD2 4.25Å; E1156-L1186 HydrophobicContact CG-CD2 3.79Å; E1156-T1190 WeakPolarHBondContact OE1-CG2 3.36Å; E1156-L1194 WeakPolarHBondContact OE2-CD1 3.41Å; E1156-Y1203 PolarHBondContact OE1-OH 3.21Å |
| 1157 | Y | 92 | Very high | 87.4 | Confident | 142 Ų | 142 | 57.8 Ų | 57.8 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.7 | -48.3 | 179 | 173.8 | -96.7 | 0 | 0 | 0 | 112.6 | E1153 L1160 K1161 | E1153-Y1157 PolarHBondContact O-N 3.44Å; E1153-Y1157 VanDerWaalsContact O-N 3.11Å; Y1157-L1160 PolarHBondContact O-N 3.22Å; Y1157-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1157-K1161 PolarHBondContact O-N 3.4Å |
| 1158 | N | 91.7 | Very high | 86.3 | Confident | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.9 | -31.7 | -178 | -74 | -72.9 | 0 | 0 | 0 | 112.5 | Y1139 A1143 Y1146 M1154 A1155 E1156 K1161 S1162 | Y1139-N1158 WeakPolarHBondContact CD1-OD1 3.29Å; A1143-N1158 HydrophobicContact CB-CB 3.6Å; Y1146-N1158 WeakPolarHBondContact CE2-ND2 3.47Å; M1154-N1158 PolarHBondContact O-N 2.9Å; M1154-N1158 VanDerWaalsContact O-N 3.13Å; M1154-N1158 PolarHBondContact O-ND2 3.26Å; A1155-N1158 PolarHBondContact O-N 2.99Å; E1156-N1158 PolarHBondContact O-N 2.83Å; N1158-K1161 PolarHBondContact O-N 3.23Å; N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.25Å |
| 1159 | Y | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 171.5 | -83.5 | -48.7 | 0 | 0 | 0 | 111.7 | H1140 A1143 T1144 A1155 E1156 K1161 S1162 L1163 I1182 R1185 L1186 I1189 | H1140-Y1159 AromaticContact CE1-CE1 3.88Å; H1140-Y1159 AromaticContact ND1-CE1 3.69Å; A1143-Y1159 HydrophobicContact CB-CD1 3.47Å; A1143-Y1159 VanDerWaalsContact CB-CD1 3.47Å; A1143-Y1159 HydrophobicContact CB-CD2 3.78Å; A1143-Y1159 HydrophobicContact CB-CE1 3.57Å; A1143-Y1159 HydrophobicContact CB-CE2 3.91Å; A1143-Y1159 HydrophobicContact CB-CG 3.55Å; T1144-Y1159 VanDerWaalsContact CA-OH 3.3Å; T1144-Y1159 WeakPolarHBondContact CA-OH 3.34Å; T1144-Y1159 WeakPolarHBondContact CB-OH 3.47Å; T1144-Y1159 PolarHBondContact OG1-OH 2.99Å; A1155-Y1159 WeakPolarHBondContact O-CB 3.39Å; A1155-Y1159 WeakPolarHBondContact O-CD2 3.39Å; A1155-Y1159 PolarHBondContact O-N 3.18Å; E1156-Y1159 PolarHBondContact O-N 3.31Å; Y1159-K1161 VanDerWaalsContact C-N 3.32Å; Y1159-K1161 PolarHBondContact O-N 3.41Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.48Å; Y1159-S1162 PolarHBondContact O-N 3.25Å; Y1159-L1163 WeakPolarHBondContact O-CG 3.42Å; Y1159-L1163 PolarHBondContact O-N 3.19Å; Y1159-I1182 HydrophobicContact CD1-CG2 3.95Å; Y1159-I1182 HydrophobicContact CG-CG2 4.18Å; Y1159-R1185 PolarHBondContact OH-NH1 3.45Å; Y1159-L1186 HydrophobicContact CD2-CD2 4.34Å; Y1159-L1186 HydrophobicContact CG-CD2 4.47Å; Y1159-I1189 HydrophobicContact CD2-CD1 4.18Å; Y1159-I1189 HydrophobicContact CE2-CD1 4.07Å |
| 1160 | L | 89.8 | Confident | 85 | Confident | 67 Ų | 67 | 63 Ų | 63 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 174.3 | -70.1 | 174 | 0 | 0 | 0 | 111.7 | E1156 Y1157 S1162 L1163 S1164 L1186 Y1203 | E1156-L1160 HydrophobicContact CG-CD1 4.03Å; E1156-L1160 HydrophobicContact CG-CG 4.46Å; E1156-L1160 WeakPolarHBondContact O-CG 3.47Å; E1156-L1160 PolarHBondContact O-N 3.28Å; Y1157-L1160 PolarHBondContact O-N 3.22Å; L1160-S1162 PolarHBondContact O-N 3.13Å; L1160-L1163 PolarHBondContact O-N 3.16Å; L1160-S1164 PolarHBondContact O-N 3.39Å; L1160-L1186 HydrophobicContact CD2-CD1 4.06Å; L1160-Y1203 HydrophobicContact CD2-CE1 3.94Å |
| 1161 | K | 90.1 | Very high | 84.2 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 175 | -169.6 | 64 | 178.6 | 177.2 | 0 | 111.6 | Y1139 Y1157 N1158 Y1159 L1163 S1164 L1165 | Y1139-K1161 HydrophobicContact CD1-CB 4.22Å; Y1139-K1161 HydrophobicContact CD1-CG 3.87Å; Y1139-K1161 HydrophobicContact CD2-CG 4.07Å; Y1139-K1161 HydrophobicContact CE1-CG 3.81Å; Y1139-K1161 HydrophobicContact CE2-CG 4.05Å; Y1139-K1161 HydrophobicContact CG-CB 4.39Å; Y1139-K1161 HydrophobicContact CG-CG 4Å; Y1157-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1157-K1161 PolarHBondContact O-N 3.4Å; N1158-K1161 PolarHBondContact O-N 3.23Å; Y1159-K1161 VanDerWaalsContact C-N 3.32Å; Y1159-K1161 PolarHBondContact O-N 3.41Å; K1161-L1163 VanDerWaalsContact C-N 3.32Å; K1161-L1163 PolarHBondContact O-N 3.26Å; K1161-S1164 PolarHBondContact O-N 3.07Å; K1161-S1164 PolarHBondContact O-OG 3Å; K1161-L1165 WeakPolarHBondContact O-CG 3.44Å; K1161-L1165 PolarHBondContact O-N 3.06Å |
| 1162 | S | 89.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -41.2 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | R1136 N1158 Y1159 L1160 L1165 Y1178 | R1136-S1162 PolarHBondContact O-OG 3.06Å; R1136-S1162 VanDerWaalsContact O-OG 3.14Å; N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.25Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.48Å; Y1159-S1162 PolarHBondContact O-N 3.25Å; L1160-S1162 PolarHBondContact O-N 3.13Å; S1162-L1165 PolarHBondContact O-N 3.02Å; S1162-Y1178 PolarHBondContact OG-OH 3.21Å; S1162-Y1178 VanDerWaalsContact OG-OH 3.06Å |
| 1163 | L | 87.4 | Confident | 83 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 177.7 | -71.8 | 172.3 | 0 | 0 | 0 | 112.5 | Y1159 L1160 K1161 L1165 C1166 Y1179 I1182 Y1183 L1186 | Y1159-L1163 WeakPolarHBondContact O-CG 3.42Å; Y1159-L1163 PolarHBondContact O-N 3.19Å; L1160-L1163 PolarHBondContact O-N 3.16Å; K1161-L1163 VanDerWaalsContact C-N 3.32Å; K1161-L1163 PolarHBondContact O-N 3.26Å; L1163-L1165 PolarHBondContact O-N 2.98Å; L1163-L1165 VanDerWaalsContact O-N 3.17Å; L1163-C1166 WeakPolarHBondContact O-CB 3.5Å; L1163-C1166 PolarHBondContact O-N 3.41Å; L1163-C1166 VanDerWaalsContact O-N 3.08Å; L1163-Y1179 HydrophobicContact CD2-CD1 3.53Å; L1163-Y1179 HydrophobicContact CD2-CE1 3.76Å; L1163-I1182 HydrophobicContact CD1-CG2 3.75Å; L1163-I1182 HydrophobicContact CD2-CB 4.26Å; L1163-I1182 HydrophobicContact CD2-CD1 4.23Å; L1163-I1182 HydrophobicContact CD2-CG2 4.08Å; L1163-I1182 HydrophobicContact CG-CG2 3.95Å; L1163-Y1183 HydrophobicContact CD1-CD1 3.97Å; L1163-Y1183 HydrophobicContact CD1-CE1 3.51Å; L1163-L1186 HydrophobicContact CD1-CD1 3.7Å |
| 1164 | S | 87 | Confident | 82.6 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -20 | 177 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | L1160 K1161 | L1160-S1164 PolarHBondContact O-N 3.39Å; K1161-S1164 PolarHBondContact O-N 3.07Å; K1161-S1164 PolarHBondContact O-OG 3Å |
| 1165 | L | 84.5 | Confident | 82.1 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.8 | 178.9 | -63.8 | 170 | 0 | 0 | 0 | 112.9 | E1135 R1136 Y1139 K1161 S1162 L1163 | E1135-L1165 HydrophobicContact CB-CD1 3.7Å; R1136-L1165 HydrophobicContact CB-CB 4.22Å; Y1139-L1165 HydrophobicContact CD2-CD1 3.66Å; Y1139-L1165 HydrophobicContact CE2-CD1 4.06Å; K1161-L1165 WeakPolarHBondContact O-CG 3.44Å; K1161-L1165 PolarHBondContact O-N 3.06Å; S1162-L1165 PolarHBondContact O-N 3.02Å; L1163-L1165 PolarHBondContact O-N 2.98Å; L1163-L1165 VanDerWaalsContact O-N 3.17Å |
| 1166 | C | 80.6 | Confident | 81.8 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -78 | 151.5 | 174.7 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | R1136 L1163 Y1179 | R1136-C1166 WeakPolarHBondContact CD-SG 3.4Å; L1163-C1166 WeakPolarHBondContact O-CB 3.5Å; L1163-C1166 PolarHBondContact O-N 3.41Å; L1163-C1166 VanDerWaalsContact O-N 3.08Å; C1166-Y1179 HydrophobicContact CB-CE1 4.1Å; C1166-Y1179 HydrophobicContact CB-CE2 4.15Å; C1166-Y1179 VanDerWaalsContact CB-CZ 3.47Å; C1166-Y1179 WeakPolarHBondContact CB-OH 3.49Å |
| 1167 | P | 74.6 | Confident | 81.6 | Confident | 54 Ų | 54 | 70 Ų | 70 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -63 | 143.7 | 175.6 | 24.2 | -31.4 | 0 | 0 | 0 | 111.4 | A1169 Y1179 | P1167-A1169 PolarHBondContact O-N 3.22Å; P1167-Y1179 PolarHBondContact O-OH 3.41Å | ||
| 1168 | P | 66.6 | Low | 81.2 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 91% | 0.909 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -71.7 | -12.6 | -176.4 | 28.2 | -35.1 | 0 | 0 | 0 | 114 | ||
| 1169 | A | 72.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -113.4 | 125.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1167 Q1171 | P1167-A1169 PolarHBondContact O-N 3.22Å; A1169-Q1171 PolarHBondContact O-N 3.38Å |
| 1170 | L | 73.3 | Confident | 80.7 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | trans | -73.1 | 100.7 | 173.7 | -74 | 160.7 | 0 | 0 | 0 | 109.3 | E1175 A1176 Y1179 | L1170-E1175 HydrophobicContact CD2-CB 4.22Å; L1170-A1176 HydrophobicContact CD2-CB 4.09Å; L1170-Y1179 HydrophobicContact CD2-CD2 3.37Å; L1170-Y1179 HydrophobicContact CD2-CE2 3.62Å; L1170-Y1179 HydrophobicContact CD2-CG 4.35Å; L1170-Y1179 HydrophobicContact CG-CD2 4.49Å; L1170-Y1179 HydrophobicContact CG-CE2 4.47Å | ||
| 1171 | Q | 70.3 | Confident | 80.6 | Confident | 153 Ų | 153 | 70.5 Ų | 70.5 | 72% | 0.715 | 38% | 0.377 | S | S | * | . | trans | -98.1 | -25.5 | 180 | -65.4 | -176.1 | 3.9 | 0 | 0 | 112.3 | A1169 E1175 | A1169-Q1171 PolarHBondContact O-N 3.38Å; Q1171-E1175 PolarHBondContact N-OE2 2.98Å | ||
| 1172 | H | 74.9 | Confident | 80.6 | Confident | 108 Ų | 108 | 67 Ų | 67 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -124.9 | 142.9 | -175.2 | -63.9 | -56.1 | 0 | 0 | 0 | 113.4 | T1174 E1175 A1176 | H1172-T1174 PolarHBondContact O-N 3Å; H1172-T1174 VanDerWaalsContact O-N 3.17Å; H1172-E1175 HydrophobicContact CB-CG 4.24Å; H1172-E1175 WeakPolarHBondContact O-CB 3.42Å; H1172-E1175 PolarHBondContact O-N 2.9Å; H1172-A1176 PolarHBondContact O-N 3.22Å |
| 1173 | P | 76.8 | Confident | 80.6 | Confident | 109 Ų | 109 | 69 Ų | 69 | 71% | 0.708 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.9 | -23 | 179.4 | 26.4 | -35.1 | 0 | 0 | 0 | 113 | R1177 | P1173-R1177 WeakPolarHBondContact O-CB 3.34Å; P1173-R1177 PolarHBondContact O-N 3.03Å |
| 1174 | T | 77.4 | Confident | 80.6 | Confident | 104 Ų | 104 | 70.7 Ų | 70.7 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.4 | -34.1 | 174.5 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | H1172 Y1178 | H1172-T1174 PolarHBondContact O-N 3Å; H1172-T1174 VanDerWaalsContact O-N 3.17Å; T1174-Y1178 PolarHBondContact O-N 2.98Å; T1174-Y1178 VanDerWaalsContact O-N 3.11Å |
| 1175 | E | 78.3 | Confident | 80.7 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.5 | -46 | 175.7 | -62.6 | 177.9 | 153.3 | 0 | 0 | 110.4 | L1170 Q1171 H1172 R1177 Y1178 Y1179 | L1170-E1175 HydrophobicContact CD2-CB 4.22Å; Q1171-E1175 PolarHBondContact N-OE2 2.98Å; H1172-E1175 HydrophobicContact CB-CG 4.24Å; H1172-E1175 WeakPolarHBondContact O-CB 3.42Å; H1172-E1175 PolarHBondContact O-N 2.9Å; E1175-R1177 PolarHBondContact O-N 3.43Å; E1175-Y1178 CarbonylContact O-C 3.45Å; E1175-Y1178 WeakPolarHBondContact O-CA 3.43Å; E1175-Y1178 WeakPolarHBondContact O-CB 3.44Å; E1175-Y1178 PolarHBondContact O-N 2.62Å; E1175-Y1179 HydrophobicContact CB-CD2 4.49Å; E1175-Y1179 VanDerWaalsContact O-CD2 3.22Å; E1175-Y1179 WeakPolarHBondContact O-CD2 3.35Å; E1175-Y1179 PolarHBondContact O-N 3.17Å |
| 1176 | A | 81.5 | Confident | 80.8 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.6 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1170 H1172 Y1178 Y1179 T1180 A1210 | L1170-A1176 HydrophobicContact CD2-CB 4.09Å; H1172-A1176 PolarHBondContact O-N 3.22Å; A1176-Y1178 VanDerWaalsContact C-N 3.28Å; A1176-Y1178 PolarHBondContact O-N 3.05Å; A1176-Y1179 PolarHBondContact O-N 2.66Å; A1176-T1180 WeakPolarHBondContact O-CB 3.39Å; A1176-T1180 VanDerWaalsContact O-CG2 3.31Å; A1176-T1180 WeakPolarHBondContact O-CG2 3.41Å; A1176-T1180 PolarHBondContact O-N 3.33Å; A1176-T1180 PolarHBondContact O-OG1 3.13Å; A1176-A1210 WeakPolarHBondContact CB-O 3.48Å |
| 1177 | R | 83.3 | Confident | 81.2 | Confident | 171 Ų | 171 | 68.6 Ų | 68.6 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.4 | -27.9 | 175.1 | -164.1 | 174.8 | -175.6 | -175.6 | 1.5 | 113.8 | P1173 E1175 T1180 K1181 | P1173-R1177 WeakPolarHBondContact O-CB 3.34Å; P1173-R1177 PolarHBondContact O-N 3.03Å; E1175-R1177 PolarHBondContact O-N 3.43Å; R1177-T1180 WeakPolarHBondContact CA-OG1 3.34Å; R1177-T1180 PolarHBondContact O-OG1 3.48Å; R1177-K1181 WeakPolarHBondContact O-CB 3.49Å; R1177-K1181 VanDerWaalsContact O-CG 3.28Å; R1177-K1181 WeakPolarHBondContact O-CG 3.41Å; R1177-K1181 PolarHBondContact O-N 3.43Å |
| 1178 | Y | 84.4 | Confident | 81.8 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.8 | -47.4 | 175.9 | 177.7 | -102.1 | 0 | 0 | 0 | 111.3 | H1140 S1162 T1174 E1175 A1176 K1181 I1182 | H1140-Y1178 WeakPolarHBondContact CB-OH 3.29Å; H1140-Y1178 AromaticContact CE1-CE2 3.76Å; H1140-Y1178 VanDerWaalsContact CG-OH 3.29Å; H1140-Y1178 AromaticContact ND1-CE2 3.76Å; H1140-Y1178 AromaticContact ND1-CZ 3.79Å; H1140-Y1178 PolarHBondContact ND1-OH 3.14Å; H1140-Y1178 VanDerWaalsContact ND1-OH 3.14Å; S1162-Y1178 PolarHBondContact OG-OH 3.21Å; S1162-Y1178 VanDerWaalsContact OG-OH 3.06Å; T1174-Y1178 PolarHBondContact O-N 2.98Å; T1174-Y1178 VanDerWaalsContact O-N 3.11Å; E1175-Y1178 CarbonylContact O-C 3.45Å; E1175-Y1178 WeakPolarHBondContact O-CA 3.43Å; E1175-Y1178 WeakPolarHBondContact O-CB 3.44Å; E1175-Y1178 PolarHBondContact O-N 2.62Å; A1176-Y1178 VanDerWaalsContact C-N 3.28Å; A1176-Y1178 PolarHBondContact O-N 3.05Å; Y1178-K1181 PolarHBondContact O-N 2.91Å; Y1178-I1182 HydrophobicContact CD1-CD1 3.93Å; Y1178-I1182 HydrophobicContact CD2-CD1 4.12Å; Y1178-I1182 HydrophobicContact CE1-CD1 3.34Å; Y1178-I1182 HydrophobicContact CE2-CD1 3.56Å; Y1178-I1182 HydrophobicContact CE2-CG1 4.37Å; Y1178-I1182 HydrophobicContact CG-CD1 4.3Å; Y1178-I1182 WeakPolarHBondContact O-CG1 3.16Å; Y1178-I1182 PolarHBondContact O-N 3.16Å; Y1178-I1182 VanDerWaalsContact OH-CD1 3.32Å; Y1178-I1182 WeakPolarHBondContact OH-CD1 3.48Å |
| 1179 | Y | 85.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 175.1 | -82.6 | -76.2 | 0 | 0 | 0 | 111.9 | L1163 C1166 P1167 L1170 E1175 A1176 K1181 I1182 Y1183 | L1163-Y1179 HydrophobicContact CD2-CD1 3.53Å; L1163-Y1179 HydrophobicContact CD2-CE1 3.76Å; C1166-Y1179 HydrophobicContact CB-CE1 4.1Å; C1166-Y1179 HydrophobicContact CB-CE2 4.15Å; C1166-Y1179 VanDerWaalsContact CB-CZ 3.47Å; C1166-Y1179 WeakPolarHBondContact CB-OH 3.49Å; P1167-Y1179 PolarHBondContact O-OH 3.41Å; L1170-Y1179 HydrophobicContact CD2-CD2 3.37Å; L1170-Y1179 HydrophobicContact CD2-CE2 3.62Å; L1170-Y1179 HydrophobicContact CD2-CG 4.35Å; L1170-Y1179 HydrophobicContact CG-CD2 4.49Å; L1170-Y1179 HydrophobicContact CG-CE2 4.47Å; E1175-Y1179 HydrophobicContact CB-CD2 4.49Å; E1175-Y1179 VanDerWaalsContact O-CD2 3.22Å; E1175-Y1179 WeakPolarHBondContact O-CD2 3.35Å; E1175-Y1179 PolarHBondContact O-N 3.17Å; A1176-Y1179 PolarHBondContact O-N 2.66Å; Y1179-K1181 PolarHBondContact O-N 3.32Å; Y1179-I1182 PolarHBondContact O-N 3.41Å; Y1179-Y1183 HydrophobicContact CD1-CD2 4.43Å; Y1179-Y1183 AromaticContact CD1-CE2 3.63Å; Y1179-Y1183 HydrophobicContact CD1-CE2 3.63Å; Y1179-Y1183 HydrophobicContact CG-CE2 4.31Å; Y1179-Y1183 WeakPolarHBondContact O-CB 3.43Å; Y1179-Y1183 WeakPolarHBondContact O-CD2 3.33Å; Y1179-Y1183 PolarHBondContact O-N 2.82Å |
| 1180 | T | 87.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.5 | -49.3 | 174.8 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | A1176 R1177 I1182 C1184 A1207 A1210 A1211 | A1176-T1180 WeakPolarHBondContact O-CB 3.39Å; A1176-T1180 VanDerWaalsContact O-CG2 3.31Å; A1176-T1180 WeakPolarHBondContact O-CG2 3.41Å; A1176-T1180 PolarHBondContact O-N 3.33Å; A1176-T1180 PolarHBondContact O-OG1 3.13Å; R1177-T1180 WeakPolarHBondContact CA-OG1 3.34Å; R1177-T1180 PolarHBondContact O-OG1 3.48Å; T1180-I1182 PolarHBondContact O-N 3.17Å; T1180-C1184 VanDerWaalsContact O-CB 3.31Å; T1180-C1184 WeakPolarHBondContact O-CB 3.47Å; T1180-C1184 PolarHBondContact O-N 3.5Å; T1180-C1184 PolarHBondContact O-SG 3.45Å; T1180-A1207 VanDerWaalsContact CG2-O 3.32Å; T1180-A1207 WeakPolarHBondContact CG2-O 3.35Å; T1180-A1210 VanDerWaalsContact CG2-C 3.48Å; T1180-A1210 HydrophobicContact CG2-CB 3.82Å; T1180-A1211 HydrophobicContact CG2-CB 3.57Å; T1180-A1211 VanDerWaalsContact CG2-N 3.35Å |
| 1181 | K | 87.6 | Confident | 84 | Confident | 132 Ų | 132 | 59.7 Ų | 59.7 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 179.3 | -81.4 | -179.1 | 176.3 | -173.5 | 0 | 112.6 | R1177 Y1178 Y1179 R1185 | R1177-K1181 WeakPolarHBondContact O-CB 3.49Å; R1177-K1181 VanDerWaalsContact O-CG 3.28Å; R1177-K1181 WeakPolarHBondContact O-CG 3.41Å; R1177-K1181 PolarHBondContact O-N 3.43Å; Y1178-K1181 PolarHBondContact O-N 2.91Å; Y1179-K1181 PolarHBondContact O-N 3.32Å; K1181-R1185 WeakPolarHBondContact O-CB 3.43Å; K1181-R1185 PolarHBondContact O-N 2.92Å; K1181-R1185 VanDerWaalsContact O-N 3.1Å |
| 1182 | I | 88.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.2 | -45.3 | -178.4 | -65.6 | 180 | 0 | 0 | 0 | 111.1 | H1140 Y1159 L1163 Y1178 Y1179 T1180 C1184 R1185 L1186 | H1140-I1182 WeakPolarHBondContact ND1-CD1 3.31Å; Y1159-I1182 HydrophobicContact CD1-CG2 3.95Å; Y1159-I1182 HydrophobicContact CG-CG2 4.18Å; L1163-I1182 HydrophobicContact CD1-CG2 3.75Å; L1163-I1182 HydrophobicContact CD2-CB 4.26Å; L1163-I1182 HydrophobicContact CD2-CD1 4.23Å; L1163-I1182 HydrophobicContact CD2-CG2 4.08Å; L1163-I1182 HydrophobicContact CG-CG2 3.95Å; Y1178-I1182 HydrophobicContact CD1-CD1 3.93Å; Y1178-I1182 HydrophobicContact CD2-CD1 4.12Å; Y1178-I1182 HydrophobicContact CE1-CD1 3.34Å; Y1178-I1182 HydrophobicContact CE2-CD1 3.56Å; Y1178-I1182 HydrophobicContact CE2-CG1 4.37Å; Y1178-I1182 HydrophobicContact CG-CD1 4.3Å; Y1178-I1182 WeakPolarHBondContact O-CG1 3.16Å; Y1178-I1182 PolarHBondContact O-N 3.16Å; Y1178-I1182 VanDerWaalsContact OH-CD1 3.32Å; Y1178-I1182 WeakPolarHBondContact OH-CD1 3.48Å; Y1179-I1182 PolarHBondContact O-N 3.41Å; T1180-I1182 PolarHBondContact O-N 3.17Å; I1182-C1184 VanDerWaalsContact C-N 3.34Å; I1182-C1184 PolarHBondContact O-N 2.9Å; I1182-R1185 CarbonylContact O-C 3.58Å; I1182-R1185 WeakPolarHBondContact O-CA 3.35Å; I1182-R1185 WeakPolarHBondContact O-CB 3.4Å; I1182-R1185 PolarHBondContact O-N 3.35Å; I1182-L1186 HydrophobicContact CG2-CD1 3.89Å; I1182-L1186 HydrophobicContact CG2-CG 4.25Å; I1182-L1186 WeakPolarHBondContact O-CG 3.47Å; I1182-L1186 PolarHBondContact O-N 3.17Å |
| 1183 | Y | 90.9 | Very high | 85 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 16% | 0.161 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.4 | -72.9 | -48.4 | 0 | 0 | 0 | 112.3 | L1163 Y1179 R1185 L1186 G1187 Y1203 L1206 | L1163-Y1183 HydrophobicContact CD1-CD1 3.97Å; L1163-Y1183 HydrophobicContact CD1-CE1 3.51Å; Y1179-Y1183 HydrophobicContact CD1-CD2 4.43Å; Y1179-Y1183 AromaticContact CD1-CE2 3.63Å; Y1179-Y1183 HydrophobicContact CD1-CE2 3.63Å; Y1179-Y1183 HydrophobicContact CG-CE2 4.31Å; Y1179-Y1183 WeakPolarHBondContact O-CB 3.43Å; Y1179-Y1183 WeakPolarHBondContact O-CD2 3.33Å; Y1179-Y1183 PolarHBondContact O-N 2.82Å; Y1183-R1185 VanDerWaalsContact C-N 3.3Å; Y1183-R1185 PolarHBondContact O-N 2.93Å; Y1183-L1186 HydrophobicContact CD1-CD1 4.25Å; Y1183-L1186 PolarHBondContact O-N 2.59Å; Y1183-G1187 PolarHBondContact O-N 3.01Å; Y1183-Y1203 HydrophobicContact CD1-CD1 4.07Å; Y1183-L1206 HydrophobicContact CD1-CB 4.06Å; Y1183-L1206 HydrophobicContact CD1-CD1 4.36Å; Y1183-L1206 HydrophobicContact CD2-CB 3.91Å; Y1183-L1206 HydrophobicContact CE1-CB 4.17Å; Y1183-L1206 HydrophobicContact CE1-CD1 3.96Å; Y1183-L1206 HydrophobicContact CE2-CB 4.02Å; Y1183-L1206 HydrophobicContact CG-CB 3.95Å |
| 1184 | C | 88 | Confident | 85.2 | Confident | 52 Ų | 52 | 55 Ų | 55 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 170.5 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | T1180 I1182 N1188 A1207 | T1180-C1184 VanDerWaalsContact O-CB 3.31Å; T1180-C1184 WeakPolarHBondContact O-CB 3.47Å; T1180-C1184 PolarHBondContact O-N 3.5Å; T1180-C1184 PolarHBondContact O-SG 3.45Å; I1182-C1184 VanDerWaalsContact C-N 3.34Å; I1182-C1184 PolarHBondContact O-N 2.9Å; C1184-N1188 WeakPolarHBondContact O-CB 3.22Å; C1184-N1188 PolarHBondContact O-N 3.39Å; C1184-N1188 PolarHBondContact O-ND2 3.08Å; C1184-A1207 VanDerWaalsContact SG-CB 3.55Å |
| 1185 | R | 87.3 | Confident | 85.5 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 179.5 | -156.6 | 168.7 | -165.7 | 173.4 | 2.6 | 111.7 | Y1159 K1181 I1182 Y1183 N1188 I1189 | Y1159-R1185 PolarHBondContact OH-NH1 3.45Å; K1181-R1185 WeakPolarHBondContact O-CB 3.43Å; K1181-R1185 PolarHBondContact O-N 2.92Å; K1181-R1185 VanDerWaalsContact O-N 3.1Å; I1182-R1185 CarbonylContact O-C 3.58Å; I1182-R1185 WeakPolarHBondContact O-CA 3.35Å; I1182-R1185 WeakPolarHBondContact O-CB 3.4Å; I1182-R1185 PolarHBondContact O-N 3.35Å; Y1183-R1185 VanDerWaalsContact C-N 3.3Å; Y1183-R1185 PolarHBondContact O-N 2.93Å; R1185-N1188 PolarHBondContact O-N 3.12Å; R1185-I1189 HydrophobicContact CG-CD1 4.44Å; R1185-I1189 WeakPolarHBondContact O-CD1 3.37Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.36Å; R1185-I1189 PolarHBondContact O-N 2.87Å |
| 1186 | L | 88.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 171.9 | -77.5 | 168.9 | 0 | 0 | 0 | 111.1 | E1156 Y1159 L1160 L1163 I1182 Y1183 N1188 I1189 T1190 Y1203 | E1156-L1186 HydrophobicContact CB-CD2 4.25Å; E1156-L1186 HydrophobicContact CG-CD2 3.79Å; Y1159-L1186 HydrophobicContact CD2-CD2 4.34Å; Y1159-L1186 HydrophobicContact CG-CD2 4.47Å; L1160-L1186 HydrophobicContact CD2-CD1 4.06Å; L1163-L1186 HydrophobicContact CD1-CD1 3.7Å; I1182-L1186 HydrophobicContact CG2-CD1 3.89Å; I1182-L1186 HydrophobicContact CG2-CG 4.25Å; I1182-L1186 WeakPolarHBondContact O-CG 3.47Å; I1182-L1186 PolarHBondContact O-N 3.17Å; Y1183-L1186 HydrophobicContact CD1-CD1 4.25Å; Y1183-L1186 PolarHBondContact O-N 2.59Å; L1186-N1188 VanDerWaalsContact C-N 3.28Å; L1186-N1188 PolarHBondContact O-N 3.04Å; L1186-I1189 PolarHBondContact O-N 2.76Å; L1186-I1189 VanDerWaalsContact O-N 3.12Å; L1186-T1190 VanDerWaalsContact O-CG2 3.26Å; L1186-T1190 WeakPolarHBondContact O-CG2 3.42Å; L1186-T1190 PolarHBondContact O-N 3.42Å; L1186-T1190 PolarHBondContact O-OG1 3.24Å; L1186-T1190 VanDerWaalsContact O-OG1 3.08Å; L1186-Y1203 HydrophobicContact CB-CD1 4.11Å; L1186-Y1203 HydrophobicContact CB-CD2 4.09Å; L1186-Y1203 HydrophobicContact CB-CE1 4.41Å; L1186-Y1203 HydrophobicContact CB-CE2 4.4Å; L1186-Y1203 HydrophobicContact CB-CG 3.93Å; L1186-Y1203 HydrophobicContact CD1-CD1 4.22Å; L1186-Y1203 HydrophobicContact CD1-CE1 4.09Å |
| 1187 | G | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1183 T1190 L1191 | Y1183-G1187 PolarHBondContact O-N 3.01Å; G1187-T1190 PolarHBondContact O-OG1 2.89Å; G1187-L1191 WeakPolarHBondContact O-CB 3.33Å; G1187-L1191 PolarHBondContact O-N 3.47Å |
| 1188 | N | 87 | Confident | 85.7 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 174.3 | -73.9 | -18.3 | 0 | 0 | 0 | 112.5 | C1184 R1185 L1186 T1190 H1192 F1204 | C1184-N1188 WeakPolarHBondContact O-CB 3.22Å; C1184-N1188 PolarHBondContact O-N 3.39Å; C1184-N1188 PolarHBondContact O-ND2 3.08Å; R1185-N1188 PolarHBondContact O-N 3.12Å; L1186-N1188 VanDerWaalsContact C-N 3.28Å; L1186-N1188 PolarHBondContact O-N 3.04Å; N1188-T1190 VanDerWaalsContact C-N 3.34Å; N1188-H1192 WeakPolarHBondContact O-CB 3.44Å; N1188-H1192 PolarHBondContact O-CD2 3.04Å; N1188-H1192 PolarHBondContact O-N 3.44Å; N1188-F1204 VanDerWaalsContact OD1-CZ 3.31Å; N1188-F1204 WeakPolarHBondContact OD1-CZ 3.26Å |
| 1189 | I | 88.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -59.5 | -47.9 | 176.9 | -69.8 | 160.8 | 0 | 0 | 0 | 109.9 | Y1147 Y1152 Y1159 R1185 L1186 E1193 L1194 | Y1147-I1189 HydrophobicContact CD2-CD1 3.48Å; Y1147-I1189 VanDerWaalsContact CD2-CD1 3.48Å; Y1147-I1189 HydrophobicContact CD2-CG1 3.54Å; Y1147-I1189 HydrophobicContact CE2-CD1 3.86Å; Y1147-I1189 HydrophobicContact CE2-CG1 3.43Å; Y1147-I1189 VanDerWaalsContact CE2-CG1 3.43Å; Y1152-I1189 HydrophobicContact CD1-CG2 4.18Å; Y1152-I1189 HydrophobicContact CG-CG2 4.33Å; Y1159-I1189 HydrophobicContact CD2-CD1 4.18Å; Y1159-I1189 HydrophobicContact CE2-CD1 4.07Å; R1185-I1189 HydrophobicContact CG-CD1 4.44Å; R1185-I1189 WeakPolarHBondContact O-CD1 3.37Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.36Å; R1185-I1189 PolarHBondContact O-N 2.87Å; L1186-I1189 PolarHBondContact O-N 2.76Å; L1186-I1189 VanDerWaalsContact O-N 3.12Å; I1189-E1193 WeakPolarHBondContact O-CB 3.48Å; I1189-E1193 PolarHBondContact O-N 3.27Å; I1189-L1194 HydrophobicContact CG2-CD1 4.08Å; I1189-L1194 HydrophobicContact CG2-CG 4.3Å; I1189-L1194 PolarHBondContact O-N 3.01Å; I1189-L1194 VanDerWaalsContact O-N 3.11Å |
| 1190 | T | 84.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -73.3 | -36.5 | -173.4 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | E1156 L1186 G1187 N1188 L1194 K1195 D1196 A1200 Y1203 | E1156-T1190 WeakPolarHBondContact OE1-CG2 3.36Å; L1186-T1190 VanDerWaalsContact O-CG2 3.26Å; L1186-T1190 WeakPolarHBondContact O-CG2 3.42Å; L1186-T1190 PolarHBondContact O-N 3.42Å; L1186-T1190 PolarHBondContact O-OG1 3.24Å; L1186-T1190 VanDerWaalsContact O-OG1 3.08Å; G1187-T1190 PolarHBondContact O-OG1 2.89Å; N1188-T1190 VanDerWaalsContact C-N 3.34Å; T1190-L1194 HydrophobicContact CG2-CD1 4.14Å; T1190-L1194 CarbonylContact O-C 3.6Å; T1190-K1195 PolarHBondContact O-N 3.33Å; T1190-D1196 PolarHBondContact O-N 2.95Å; T1190-A1200 WeakPolarHBondContact OG1-CA 3.39Å; T1190-A1200 VanDerWaalsContact OG1-CB 3.24Å; T1190-A1200 WeakPolarHBondContact OG1-CB 3.4Å; T1190-Y1203 HydrophobicContact CG2-CD2 3.96Å; T1190-Y1203 HydrophobicContact CG2-CE2 3.65Å |
| 1191 | L | 85.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -70 | -47.7 | 177.8 | -172.9 | 65.4 | 0 | 0 | 0 | 112.8 | G1187 A1197 A1200 F1204 | G1187-L1191 WeakPolarHBondContact O-CB 3.33Å; G1187-L1191 PolarHBondContact O-N 3.47Å; L1191-A1197 HydrophobicContact CD1-CB 4.24Å; L1191-A1200 HydrophobicContact CB-CB 3.69Å; L1191-A1200 HydrophobicContact CD1-CB 4.06Å; L1191-A1200 HydrophobicContact CG-CB 4.45Å; L1191-F1204 HydrophobicContact CD2-CE2 4.12Å |
| 1192 | H | 82.3 | Confident | 85.4 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -94.2 | -40.5 | -168.4 | -67.3 | -58.1 | 0 | 0 | 0 | 113.5 | N1188 | N1188-H1192 WeakPolarHBondContact O-CB 3.44Å; N1188-H1192 PolarHBondContact O-CD2 3.04Å; N1188-H1192 PolarHBondContact O-N 3.44Å |
| 1193 | E | 82.6 | Confident | 85.5 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -99.4 | -43.5 | -171.4 | -55.3 | -59.9 | 150.9 | 0 | 0 | 112 | Y1152 I1189 | Y1152-E1193 HydrophobicContact CD1-CB 4.29Å; Y1152-E1193 HydrophobicContact CD1-CG 4.12Å; Y1152-E1193 HydrophobicContact CD2-CB 3.54Å; Y1152-E1193 HydrophobicContact CD2-CG 3.87Å; Y1152-E1193 HydrophobicContact CE1-CG 3.92Å; Y1152-E1193 HydrophobicContact CE2-CB 3.81Å; Y1152-E1193 HydrophobicContact CE2-CG 3.63Å; Y1152-E1193 WeakPolarHBondContact CE2-OE2 3.3Å; Y1152-E1193 HydrophobicContact CG-CB 3.8Å; Y1152-E1193 HydrophobicContact CG-CG 4.1Å; I1189-E1193 WeakPolarHBondContact O-CB 3.48Å; I1189-E1193 PolarHBondContact O-N 3.27Å |
| 1194 | L | 82.9 | Confident | 85.5 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -88.2 | -13.3 | 178.4 | -55.4 | 174.1 | 0 | 0 | 0 | 113.5 | E1153 E1156 I1189 T1190 D1196 | E1153-L1194 HydrophobicContact CG-CD2 3.79Å; E1156-L1194 WeakPolarHBondContact OE2-CD1 3.41Å; I1189-L1194 HydrophobicContact CG2-CD1 4.08Å; I1189-L1194 HydrophobicContact CG2-CG 4.3Å; I1189-L1194 PolarHBondContact O-N 3.01Å; I1189-L1194 VanDerWaalsContact O-N 3.11Å; T1190-L1194 HydrophobicContact CG2-CD1 4.14Å; T1190-L1194 CarbonylContact O-C 3.6Å; L1194-D1196 VanDerWaalsContact C-N 3.26Å; L1194-D1196 PolarHBondContact O-N 3.46Å |
| 1195 | K | 82.6 | Confident | 85.5 | Confident | 176 Ų | 176 | 66.7 Ų | 66.7 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | trans | 58 | 29.9 | 177.8 | -57 | 180 | -177.8 | 174.1 | 0 | 114.7 | T1190 | T1190-K1195 PolarHBondContact O-N 3.33Š| ||
| 1196 | D | 83.3 | Confident | 85.6 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -100.9 | 95 | 171.3 | -161.6 | -37.3 | 0 | 0 | 0 | 110.6 | T1190 L1194 F1198 D1199 A1200 | T1190-D1196 PolarHBondContact O-N 2.95Å; L1194-D1196 VanDerWaalsContact C-N 3.26Å; L1194-D1196 PolarHBondContact O-N 3.46Å; D1196-F1198 VanDerWaalsContact C-N 3.28Å; D1196-F1198 PolarHBondContact O-N 2.93Å; D1196-F1198 PolarHBondContact OD1-N 3.49Å; D1196-D1199 PolarHBondContact OD1-N 3.44Å; D1196-A1200 VanDerWaalsContact O-CB 3.27Å; D1196-A1200 WeakPolarHBondContact O-CB 3.38Å; D1196-A1200 PolarHBondContact O-N 3.21Å | ||
| 1197 | A | 79.1 | Confident | 85.5 | Confident | 64 Ų | 64 | 67 Ų | 67 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.8 | -23 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1191 A1201 | L1191-A1197 HydrophobicContact CD1-CB 4.24Å; A1197-A1201 PolarHBondContact O-N 2.96Å |
| 1198 | F | 84 | Confident | 85.5 | Confident | 175 Ų | 175 | 71.7 Ų | 71.7 | 77% | 0.768 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -76.4 | -49.1 | -177.5 | -173.1 | -94.9 | 0 | 0 | 0 | 110.3 | D1196 A1200 A1201 G1202 | D1196-F1198 VanDerWaalsContact C-N 3.28Å; D1196-F1198 PolarHBondContact O-N 2.93Å; D1196-F1198 PolarHBondContact OD1-N 3.49Å; F1198-A1200 VanDerWaalsContact C-N 3.35Å; F1198-A1201 PolarHBondContact O-N 3.21Å; F1198-G1202 PolarHBondContact O-N 3.42Å |
| 1199 | D | 81.9 | Confident | 85.3 | Confident | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | 177.5 | -74.9 | -9.2 | 0 | 0 | 0 | 111.7 | D1196 A1201 G1202 Y1203 | D1196-D1199 PolarHBondContact OD1-N 3.44Å; D1199-A1201 PolarHBondContact O-N 3.47Å; D1199-G1202 PolarHBondContact O-N 2.85Å; D1199-G1202 VanDerWaalsContact O-N 3.16Å; D1199-Y1203 HydrophobicContact CB-CE2 4.44Å; D1199-Y1203 WeakPolarHBondContact O-CD2 3.37Å; D1199-Y1203 PolarHBondContact O-N 3.22Å |
| 1200 | A | 85.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1190 L1191 D1196 F1198 G1202 Y1203 F1204 | T1190-A1200 WeakPolarHBondContact OG1-CA 3.39Å; T1190-A1200 VanDerWaalsContact OG1-CB 3.24Å; T1190-A1200 WeakPolarHBondContact OG1-CB 3.4Å; L1191-A1200 HydrophobicContact CB-CB 3.69Å; L1191-A1200 HydrophobicContact CD1-CB 4.06Å; L1191-A1200 HydrophobicContact CG-CB 4.45Å; D1196-A1200 VanDerWaalsContact O-CB 3.27Å; D1196-A1200 WeakPolarHBondContact O-CB 3.38Å; D1196-A1200 PolarHBondContact O-N 3.21Å; F1198-A1200 VanDerWaalsContact C-N 3.35Å; A1200-G1202 VanDerWaalsContact C-N 3.28Å; A1200-G1202 PolarHBondContact O-N 3.09Å; A1200-Y1203 PolarHBondContact O-N 3.21Å; A1200-F1204 HydrophobicContact CB-CE2 4.34Å; A1200-F1204 WeakPolarHBondContact O-CD2 3.33Å; A1200-F1204 PolarHBondContact O-N 3.11Å |
| 1201 | A | 86.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | A1197 F1198 D1199 Y1203 F1204 Y1205 | A1197-A1201 PolarHBondContact O-N 2.96Å; F1198-A1201 PolarHBondContact O-N 3.21Å; D1199-A1201 PolarHBondContact O-N 3.47Å; A1201-Y1203 PolarHBondContact O-N 3.42Å; A1201-F1204 PolarHBondContact O-N 3.04Å; A1201-Y1205 HydrophobicContact CB-CE2 4.39Å; A1201-Y1205 WeakPolarHBondContact O-CD2 3.17Å; A1201-Y1205 PolarHBondContact O-N 3.41Å |
| 1202 | G | 86.5 | Confident | 84.4 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 34% | 0.34 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1198 D1199 A1200 Y1205 L1206 | F1198-G1202 PolarHBondContact O-N 3.42Å; D1199-G1202 PolarHBondContact O-N 2.85Å; D1199-G1202 VanDerWaalsContact O-N 3.16Å; A1200-G1202 VanDerWaalsContact C-N 3.28Å; A1200-G1202 PolarHBondContact O-N 3.09Å; G1202-Y1205 PolarHBondContact O-N 2.67Å; G1202-L1206 WeakPolarHBondContact O-CG 3.26Å; G1202-L1206 PolarHBondContact O-N 2.9Å |
| 1203 | Y | 90.3 | Very high | 84.5 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 177.4 | -66.7 | -55.3 | 0 | 0 | 0 | 113.2 | E1156 L1160 Y1183 L1186 T1190 D1199 A1200 A1201 Y1205 L1206 A1207 | E1156-Y1203 PolarHBondContact OE1-OH 3.21Å; L1160-Y1203 HydrophobicContact CD2-CE1 3.94Å; Y1183-Y1203 HydrophobicContact CD1-CD1 4.07Å; L1186-Y1203 HydrophobicContact CB-CD1 4.11Å; L1186-Y1203 HydrophobicContact CB-CD2 4.09Å; L1186-Y1203 HydrophobicContact CB-CE1 4.41Å; L1186-Y1203 HydrophobicContact CB-CE2 4.4Å; L1186-Y1203 HydrophobicContact CB-CG 3.93Å; L1186-Y1203 HydrophobicContact CD1-CD1 4.22Å; L1186-Y1203 HydrophobicContact CD1-CE1 4.09Å; T1190-Y1203 HydrophobicContact CG2-CD2 3.96Å; T1190-Y1203 HydrophobicContact CG2-CE2 3.65Å; D1199-Y1203 HydrophobicContact CB-CE2 4.44Å; D1199-Y1203 WeakPolarHBondContact O-CD2 3.37Å; D1199-Y1203 PolarHBondContact O-N 3.22Å; A1200-Y1203 PolarHBondContact O-N 3.21Å; A1201-Y1203 PolarHBondContact O-N 3.42Å; Y1203-Y1205 VanDerWaalsContact C-N 3.34Å; Y1203-Y1205 PolarHBondContact O-N 3.25Å; Y1203-L1206 HydrophobicContact CD1-CD1 4.47Å; Y1203-L1206 PolarHBondContact O-N 3.22Å; Y1203-A1207 WeakPolarHBondContact O-CB 3.49Å; Y1203-A1207 PolarHBondContact O-N 3.14Å |
| 1204 | F | 90 | Very high | 84.6 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 31% | 0.307 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.5 | -70.1 | -57.1 | 0 | 0 | 0 | 112.8 | N1188 L1191 A1200 A1201 A1207 L1208 | N1188-F1204 VanDerWaalsContact OD1-CZ 3.31Å; N1188-F1204 WeakPolarHBondContact OD1-CZ 3.26Å; L1191-F1204 HydrophobicContact CD2-CE2 4.12Å; A1200-F1204 HydrophobicContact CB-CE2 4.34Å; A1200-F1204 WeakPolarHBondContact O-CD2 3.33Å; A1200-F1204 PolarHBondContact O-N 3.11Å; A1201-F1204 PolarHBondContact O-N 3.04Å; F1204-A1207 WeakPolarHBondContact O-CB 3.48Å; F1204-A1207 PolarHBondContact O-N 2.92Å; F1204-L1208 WeakPolarHBondContact O-CB 3.41Å; F1204-L1208 PolarHBondContact O-N 2.77Å |
| 1205 | Y | 89.4 | Confident | 84.7 | Confident | 167 Ų | 167 | 78.4 Ų | 78.4 | 66% | 0.655 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 172.6 | -75.9 | -58 | 0 | 0 | 0 | 112.3 | A1201 G1202 Y1203 A1207 L1208 A1209 | A1201-Y1205 HydrophobicContact CB-CE2 4.39Å; A1201-Y1205 WeakPolarHBondContact O-CD2 3.17Å; A1201-Y1205 PolarHBondContact O-N 3.41Å; G1202-Y1205 PolarHBondContact O-N 2.67Å; Y1203-Y1205 VanDerWaalsContact C-N 3.34Å; Y1203-Y1205 PolarHBondContact O-N 3.25Å; Y1205-A1207 VanDerWaalsContact C-N 3.34Å; Y1205-L1208 PolarHBondContact O-N 2.77Å; Y1205-A1209 WeakPolarHBondContact O-CB 3.48Å; Y1205-A1209 PolarHBondContact O-N 3.39Å |
| 1206 | L | 87.8 | Confident | 84.8 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 173.8 | -70.4 | 171.1 | 0 | 0 | 0 | 112.2 | Y1183 G1202 Y1203 A1209 A1210 | Y1183-L1206 HydrophobicContact CD1-CB 4.06Å; Y1183-L1206 HydrophobicContact CD1-CD1 4.36Å; Y1183-L1206 HydrophobicContact CD2-CB 3.91Å; Y1183-L1206 HydrophobicContact CE1-CB 4.17Å; Y1183-L1206 HydrophobicContact CE1-CD1 3.96Å; Y1183-L1206 HydrophobicContact CE2-CB 4.02Å; Y1183-L1206 HydrophobicContact CG-CB 3.95Å; G1202-L1206 WeakPolarHBondContact O-CG 3.26Å; G1202-L1206 PolarHBondContact O-N 2.9Å; Y1203-L1206 HydrophobicContact CD1-CD1 4.47Å; Y1203-L1206 PolarHBondContact O-N 3.22Å; L1206-A1209 PolarHBondContact O-N 3.5Å; L1206-A1210 WeakPolarHBondContact O-CB 3.42Å; L1206-A1210 PolarHBondContact O-N 3.01Å |
| 1207 | A | 87.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.033 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | T1180 C1184 Y1203 F1204 Y1205 A1209 A1210 A1211 | T1180-A1207 VanDerWaalsContact CG2-O 3.32Å; T1180-A1207 WeakPolarHBondContact CG2-O 3.35Å; C1184-A1207 VanDerWaalsContact SG-CB 3.55Å; Y1203-A1207 WeakPolarHBondContact O-CB 3.49Å; Y1203-A1207 PolarHBondContact O-N 3.14Å; F1204-A1207 WeakPolarHBondContact O-CB 3.48Å; F1204-A1207 PolarHBondContact O-N 2.92Å; Y1205-A1207 VanDerWaalsContact C-N 3.34Å; A1207-A1209 VanDerWaalsContact C-N 3.33Å; A1207-A1209 PolarHBondContact O-N 2.73Å; A1207-A1210 PolarHBondContact O-N 3.37Å; A1207-A1211 PolarHBondContact O-N 3.41Å; A1207-A1211 VanDerWaalsContact O-N 3.11Å |
| 1208 | L | 87.1 | Confident | 85.3 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.5 | -174.6 | 68.7 | 0 | 0 | 0 | 111.3 | F1204 Y1205 A1210 A1211 L1212 | F1204-L1208 WeakPolarHBondContact O-CB 3.41Å; F1204-L1208 PolarHBondContact O-N 2.77Å; Y1205-L1208 PolarHBondContact O-N 2.77Å; L1208-A1210 VanDerWaalsContact C-N 3.3Å; L1208-A1210 PolarHBondContact O-N 2.66Å; L1208-A1211 PolarHBondContact O-N 3.28Å; L1208-A1211 VanDerWaalsContact O-N 3.12Å; L1208-L1212 HydrophobicContact CG-CD1 4.11Å; L1208-L1212 WeakPolarHBondContact O-CG 3.4Å; L1208-L1212 PolarHBondContact O-N 3.15Å; L1208-L1212 VanDerWaalsContact O-N 3.1Å |
| 1209 | A | 83.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -30.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1205 L1206 A1207 | Y1205-A1209 WeakPolarHBondContact O-CB 3.48Å; Y1205-A1209 PolarHBondContact O-N 3.39Å; L1206-A1209 PolarHBondContact O-N 3.5Å; A1207-A1209 VanDerWaalsContact C-N 3.33Å; A1207-A1209 PolarHBondContact O-N 2.73Å |
| 1210 | A | 83.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81.2 | -16.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1176 T1180 L1206 A1207 L1208 | A1176-A1210 WeakPolarHBondContact CB-O 3.48Å; T1180-A1210 VanDerWaalsContact CG2-C 3.48Å; T1180-A1210 HydrophobicContact CG2-CB 3.82Å; L1206-A1210 WeakPolarHBondContact O-CB 3.42Å; L1206-A1210 PolarHBondContact O-N 3.01Å; A1207-A1210 PolarHBondContact O-N 3.37Å; L1208-A1210 VanDerWaalsContact C-N 3.3Å; L1208-A1210 PolarHBondContact O-N 2.66Å |
| 1211 | A | 80.1 | Confident | 85.7 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -88.9 | -28.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1180 A1207 L1208 | T1180-A1211 HydrophobicContact CG2-CB 3.57Å; T1180-A1211 VanDerWaalsContact CG2-N 3.35Å; A1207-A1211 PolarHBondContact O-N 3.41Å; A1207-A1211 VanDerWaalsContact O-N 3.11Å; L1208-A1211 PolarHBondContact O-N 3.28Å; L1208-A1211 VanDerWaalsContact O-N 3.12Å |
| 1212 | L | 75.8 | Confident | 85.6 | Confident | 183 Ų | 183 | 73.5 Ų | 73.5 | 96% | 0.958 | 41% | 0.411 | S | S | * | . | trans | -79.4 | 0 | 173.5 | -67.9 | 170.5 | 0 | 0 | 0 | 110.4 | L1208 | L1208-L1212 HydrophobicContact CG-CD1 4.11Å; L1208-L1212 WeakPolarHBondContact O-CG 3.4Å; L1208-L1212 PolarHBondContact O-N 3.15Å; L1208-L1212 VanDerWaalsContact O-N 3.1Å |
Retrieved 1,212 of 1,212 residues in 284.5 ms
(Link to these results)