| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.4 | Very low | 44.8 | Very low | 236 Ų | 236 | 140 Ų | 140 | 100% | 1.163 | 71% | 0.714 | S | S | * | * | 0 | 104 | 0 | -87.1 | 173.1 | 169.1 | 0 | 0 | 108.5 | L3 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.3Å | |||
| 2 | H | 32.3 | Very low | 48 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 91% | 0.907 | 69% | 0.685 | S | S | * | * | trans | -72.7 | 91.5 | 172 | -80.2 | -53.8 | 0 | 0 | 0 | 108.7 | K4 | H2-K4 PolarHBondContact O-N 2.93Š| ||
| 3 | L | 31.2 | Very low | 51.1 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -56.1 | 98.7 | 154.1 | -79.9 | 153.6 | 0 | 0 | 0 | 105.6 | M1 S5 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.3Å; L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 3.35Å | ||
| 4 | K | 33.5 | Very low | 54.1 | Low | 195 Ų | 195 | 123.9 Ų | 123.9 | 85% | 0.848 | 63% | 0.628 | S | S | * | * | trans | -54.7 | 107.1 | 162.7 | -81.4 | -178.8 | 175.8 | 177.8 | 0 | 104.5 | H2 Q6 | H2-K4 PolarHBondContact O-N 2.93Å; K4-Q6 PolarHBondContact O-N 3.21Å | ||
| 5 | S | 29.2 | Very low | 57 | Low | 105 Ų | 105 | 115.7 Ų | 115.7 | 73% | 0.734 | 59% | 0.586 | S | S | * | * | trans | -52.8 | 118.1 | 162.4 | 57.9 | 0 | 0 | 0 | 0 | 104.8 | L3 S7 | L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact O-N 3.17Å | ||
| 6 | Q | 29.9 | Very low | 59.5 | Low | 185 Ų | 185 | 108.4 Ų | 108.4 | 86% | 0.864 | 55% | 0.549 | S | S | * | . | trans | -62.6 | 85.2 | 163.2 | -73.8 | -179.4 | -7 | 0 | 0 | 104.7 | K4 T8 | K4-Q6 PolarHBondContact O-N 3.21Å; Q6-T8 VanDerWaalsContact C-N 3.32Å; Q6-T8 PolarHBondContact O-N 2.81Å | ||
| 7 | S | 38.9 | Very low | 61.7 | Low | 80 Ų | 80 | 102.1 Ų | 102.1 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | trans | -56.9 | 110.9 | 161.4 | 71.6 | 0 | 0 | 0 | 0 | 103.5 | S5 Q9 | S5-S7 PolarHBondContact O-N 3.17Å; S7-Q9 PolarHBondContact O-N 3.27Å | ||
| 8 | T | 46.7 | Very low | 63.7 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 74% | 0.742 | 49% | 0.491 | S | S | * | . | trans | -55.7 | 94.1 | 168.9 | 38.9 | 0 | 0 | 0 | 0 | 106.1 | Q6 K10 | Q6-T8 VanDerWaalsContact C-N 3.32Å; Q6-T8 PolarHBondContact O-N 2.81Å; T8-K10 VanDerWaalsContact C-N 3.31Å; T8-K10 PolarHBondContact O-N 3.36Å | ||
| 9 | Q | 59.5 | Low | 65.3 | Low | 127 Ų | 127 | 91.9 Ų | 91.9 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | trans | -66.6 | 96.9 | -177.2 | -79.3 | -176.5 | -6.1 | 0 | 0 | 106.6 | S7 C11 | S7-Q9 PolarHBondContact O-N 3.27Å; Q9-C11 PolarHBondContact O-N 2.95Å; Q9-C11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | K | 75.5 | Confident | 66.6 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 54% | 0.543 | 46% | 0.455 | S | S | . | . | trans | -63.7 | -18.2 | 179.8 | -71 | -171 | 174.7 | -174 | 0 | 112.5 | T8 G59 Y90 | T8-K10 VanDerWaalsContact C-N 3.31Å; T8-K10 PolarHBondContact O-N 3.36Å; K10-G59 PolarHBondContact O-N 3.02Å; K10-Y90 HydrophobicContact CB-CD1 4.08Å; K10-Y90 WeakPolarHBondContact O-CD1 3.25Å | ||
| 11 | C | 80.9 | Confident | 67.8 | Low | 3 Ų | 3 | 89.1 Ų | 89.1 | 2% | 0.02 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -144.9 | 137.3 | -172.4 | -170.9 | 0 | 0 | 0 | 0 | 112.9 | Q9 G59 Y61 L62 Y86 R226 | Q9-C11 PolarHBondContact O-N 2.95Å; Q9-C11 VanDerWaalsContact O-N 3.16Å; C11-G59 CarbonylContact C-O 3.55Å; C11-G59 VanDerWaalsContact CA-O 3.24Å; C11-G59 WeakPolarHBondContact CA-O 3.26Å; C11-G59 VanDerWaalsContact SG-C 3.5Å; C11-G59 PolarHBondContact SG-O 3.06Å; C11-Y61 PolarHBondContact SG-N 3.32Å; C11-Y61 PolarHBondContact SG-O 2.92Å; C11-L62 PolarHBondContact SG-N 2.92Å; C11-Y86 PolarHBondContact SG-OH 2.75Å; C11-R226 PolarHBondContact O-NH1 3.27Å |
| 12 | E | 83.6 | Confident | 70.3 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | trans | -61.4 | 146.3 | 172.6 | -65.9 | 175.3 | -170.2 | 0 | 0 | 111.7 | R14 G59 L62 | E12-R14 HydrophobicContact CB-CB 4.47Å; E12-R14 PolarHBondContact O-N 3.09Å; E12-G59 PolarHBondContact N-O 3.42Å; E12-L62 WeakPolarHBondContact O-CB 3.36Å; E12-L62 PolarHBondContact O-N 3.28Å | ||
| 13 | T | 87.7 | Confident | 73.1 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 34% | 0.344 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -77 | 67.7 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | L62 I227 | T13-L62 HydrophobicContact CG2-CD2 4.3Å; T13-I227 HydrophobicContact CG2-CG1 4.18Å |
| 14 | R | 93.7 | Very high | 76.1 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.4 | -179.6 | -175.9 | -177.6 | -170.9 | 164.8 | 8.2 | 110.8 | E12 Q40 R60 Y61 L62 | E12-R14 HydrophobicContact CB-CB 4.47Å; E12-R14 PolarHBondContact O-N 3.09Å; R14-Q40 CarbonylContact C-O 3.49Å; R14-Q40 VanDerWaalsContact CA-O 3.23Å; R14-Q40 WeakPolarHBondContact CA-O 3.24Å; R14-Q40 HydrophobicContact CG-CB 4.2Å; R14-Q40 WeakPolarHBondContact CG-O 3.46Å; R14-R60 WeakPolarHBondContact CB-O 3.37Å; R14-Y61 HydrophobicContact CB-CD1 4.49Å; R14-Y61 HydrophobicContact CG-CD1 4Å; R14-Y61 HydrophobicContact CG-CE1 4.23Å; R14-Y61 CarbonylContact O-C 3.38Å; R14-Y61 VanDerWaalsContact O-CA 3.24Å; R14-Y61 WeakPolarHBondContact O-CA 3.45Å; R14-L62 PolarHBondContact O-N 3.36Å |
| 15 | V | 97.5 | Very high | 79 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.8 | -178.8 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L34 V39 Q40 Y41 K42 M63 I65 I227 | V15-L34 HydrophobicContact CB-CD1 4.32Å; V15-L34 HydrophobicContact CG1-CD1 4.05Å; V15-L34 HydrophobicContact CG2-CD2 4.15Å; V15-V39 HydrophobicContact CB-CG1 4.47Å; V15-V39 HydrophobicContact CG2-CG1 3.68Å; V15-Q40 PolarHBondContact N-O 3.5Å; V15-Y41 CarbonylContact O-C 3.2Å; V15-Y41 WeakPolarHBondContact O-CA 3.46Å; V15-Y41 WeakPolarHBondContact O-CB 3.15Å; V15-K42 PolarHBondContact O-N 3.28Å; V15-M63 WeakPolarHBondContact CA-O 3.44Å; V15-M63 HydrophobicContact CG2-CB 4.34Å; V15-I65 HydrophobicContact CG1-CD1 3.6Å; V15-I65 HydrophobicContact CG1-CG1 3.75Å; V15-I227 HydrophobicContact CG2-CD1 3.71Å |
| 16 | L | 96.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 110.2 | 167 | 179.7 | 60.9 | 0 | 0 | 0 | 109.3 | L18 K42 L44 P51 L53 Y61 M63 I64 I65 | L16-L18 HydrophobicContact CD1-CD2 4.27Å; L16-L18 HydrophobicContact CD2-CD1 4.46Å; L16-L18 HydrophobicContact CD2-CD2 4.33Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CD2 4.15Å; L16-L18 HydrophobicContact CG-CG 4.15Å; L16-K42 HydrophobicContact CD1-CB 4.38Å; L16-L44 HydrophobicContact CD1-CD1 4.07Å; L16-L44 HydrophobicContact CD1-CG 4.49Å; L16-P51 HydrophobicContact CD1-CG 4.05Å; L16-P51 HydrophobicContact CD2-CG 3.87Å; L16-L53 HydrophobicContact CD2-CD2 4.1Å; L16-Y61 HydrophobicContact CB-CD1 3.68Å; L16-Y61 HydrophobicContact CB-CD2 4.05Å; L16-Y61 HydrophobicContact CB-CE1 4.09Å; L16-Y61 HydrophobicContact CB-CE2 4.42Å; L16-Y61 HydrophobicContact CB-CG 3.67Å; L16-Y61 HydrophobicContact CD1-CE1 4.29Å; L16-Y61 HydrophobicContact CD1-CE2 4.48Å; L16-Y61 HydrophobicContact CD2-CD2 4.22Å; L16-Y61 HydrophobicContact CD2-CE2 4.25Å; L16-M63 PolarHBondContact N-O 3.32Å; L16-I64 HydrophobicContact CB-CG1 4.38Å; L16-I64 HydrophobicContact CD2-CG2 4.35Å; L16-I64 CarbonylContact O-C 3.5Å; L16-I64 WeakPolarHBondContact O-CA 2.95Å; L16-I65 PolarHBondContact O-N 3.45Å |
| 17 | L | 97.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114 | 177.7 | 173.7 | 59.4 | 0 | 0 | 0 | 110.4 | I19 I30 R31 K42 S43 L44 I65 | L17-I19 HydrophobicContact CD1-CG2 4.06Å; L17-I19 HydrophobicContact CD2-CG2 4.25Å; L17-I19 HydrophobicContact CG-CG2 3.83Å; L17-I30 HydrophobicContact CD1-CB 4.39Å; L17-I30 HydrophobicContact CD1-CD1 3.99Å; L17-I30 HydrophobicContact CD1-CG2 3.95Å; L17-I30 HydrophobicContact CD2-CB 4.21Å; L17-I30 HydrophobicContact CD2-CG2 3.93Å; L17-R31 HydrophobicContact CD2-CG 3.69Å; L17-K42 PolarHBondContact N-O 3.02Å; L17-S43 CarbonylContact O-C 3.49Å; L17-S43 VanDerWaalsContact O-CA 3.26Å; L17-S43 WeakPolarHBondContact O-CA 3.33Å; L17-L44 PolarHBondContact O-N 3.27Å; L17-I65 HydrophobicContact CD1-CB 3.93Å; L17-I65 HydrophobicContact CD1-CG2 3.87Å |
| 18 | L | 96.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.4 | -178.6 | -67.4 | 177.1 | 0 | 0 | 0 | 110.2 | L16 L44 V46 I64 I65 Y66 E67 | L16-L18 HydrophobicContact CD1-CD2 4.27Å; L16-L18 HydrophobicContact CD2-CD1 4.46Å; L16-L18 HydrophobicContact CD2-CD2 4.33Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CD2 4.15Å; L16-L18 HydrophobicContact CG-CG 4.15Å; L18-L44 WeakPolarHBondContact CA-O 3.41Å; L18-L44 HydrophobicContact CD2-CB 4.27Å; L18-V46 HydrophobicContact CB-CG2 3.79Å; L18-V46 HydrophobicContact CD2-CG2 4.47Å; L18-I64 HydrophobicContact CD1-CG2 3.82Å; L18-I64 HydrophobicContact CG-CG2 4.45Å; L18-I65 PolarHBondContact N-O 2.95Å; L18-Y66 HydrophobicContact CB-CD1 4.07Å; L18-Y66 HydrophobicContact CB-CE1 4.23Å; L18-Y66 HydrophobicContact CB-CG 4.49Å; L18-Y66 HydrophobicContact CD1-CD1 3.97Å; L18-Y66 HydrophobicContact CD1-CD2 4.37Å; L18-Y66 HydrophobicContact CD1-CE1 3.34Å; L18-Y66 HydrophobicContact CD1-CE2 3.82Å; L18-Y66 HydrophobicContact CD1-CG 4.44Å; L18-Y66 WeakPolarHBondContact CD1-OH 3.21Å; L18-Y66 HydrophobicContact CG-CE1 4.42Å; L18-E67 PolarHBondContact O-N 3.06Å; L18-E67 VanDerWaalsContact O-N 3.08Å |
| 19 | I | 95.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 153.5 | -175.5 | 64.7 | -174.7 | 0 | 0 | 0 | 111.5 | L17 N21 S43 L44 V45 V46 E67 | L17-I19 HydrophobicContact CD1-CG2 4.06Å; L17-I19 HydrophobicContact CD2-CG2 4.25Å; L17-I19 HydrophobicContact CG-CG2 3.83Å; I19-N21 VanDerWaalsContact CD1-O 3.23Å; I19-N21 WeakPolarHBondContact CD1-O 3.36Å; I19-N21 WeakPolarHBondContact CG1-O 2.76Å; I19-S43 WeakPolarHBondContact CD1-OG 3.42Å; I19-L44 WeakPolarHBondContact CG1-O 3.22Å; I19-L44 PolarHBondContact N-O 3.23Å; I19-V45 HydrophobicContact CG1-CG2 4.17Å; I19-V45 CarbonylContact O-C 3.6Å; I19-V45 WeakPolarHBondContact O-CA 3.35Å; I19-V46 PolarHBondContact O-N 3.39Å; I19-E67 VanDerWaalsContact CA-CD 3.42Å; I19-E67 HydrophobicContact CB-CG 4.39Å; I19-E67 VanDerWaalsContact CB-OE2 3.28Å; I19-E67 WeakPolarHBondContact CB-OE2 3.04Å; I19-E67 WeakPolarHBondContact CG2-OE2 3.49Å |
| 20 | D | 90.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -74.3 | -36.8 | 174.6 | -80.1 | -37 | 0 | 0 | 0 | 111.3 | V45 E67 N68 R71 | D20-V45 WeakPolarHBondContact O-CG1 3.48Å; D20-E67 WeakPolarHBondContact CA-OE1 3.49Å; D20-E67 WeakPolarHBondContact CB-OE1 3.2Å; D20-E67 VanDerWaalsContact N-CD 3.27Å; D20-E67 PolarHBondContact N-OE1 2.99Å; D20-N68 WeakPolarHBondContact OD2-CB 3.24Å; D20-N68 PolarHBondContact OD2-ND2 2.99Å; D20-R71 IonicContact OD1-CZ 3.4Å; D20-R71 IonicContact OD1-NE 3.08Å; D20-R71 PolarHBondContact OD1-NE 2.88Å; D20-R71 IonicContact OD1-NH2 3.36Å; D20-R71 PolarHBondContact OD1-NH2 3.5Å |
| 21 | N | 91 | Very high | 93.3 | Very high | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -151.4 | 162.1 | 174.8 | 73.1 | 75.1 | 0 | 0 | 0 | 112 | I19 Y23 S24 | I19-N21 VanDerWaalsContact CD1-O 3.23Å; I19-N21 WeakPolarHBondContact CD1-O 3.36Å; I19-N21 WeakPolarHBondContact CG1-O 2.76Å; N21-Y23 PolarHBondContact O-N 3.4Å; N21-Y23 VanDerWaalsContact O-N 3.17Å; N21-Y23 VanDerWaalsContact OD1-C 3.3Å; N21-Y23 WeakPolarHBondContact OD1-CA 2.9Å; N21-Y23 PolarHBondContact OD1-N 2.76Å; N21-S24 PolarHBondContact O-N 3.23Å; N21-S24 PolarHBondContact OD1-N 3.33Å |
| 22 | Q | 88.8 | Confident | 94 | Very high | 124 Ų | 124 | 49.6 Ų | 49.6 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.3 | -174 | -65.9 | -174.2 | -4.4 | 0 | 0 | 114.7 | V45 | Q22-V45 HydrophobicContact CG-CG2 3.75Š|
| 23 | Y | 91.5 | Very high | 94.7 | Very high | 177 Ų | 177 | 45.9 Ų | 45.9 | 69% | 0.694 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 9.4 | -175.4 | -53.2 | -73 | 0 | 0 | 0 | 113.1 | N21 I25 | N21-Y23 PolarHBondContact O-N 3.4Å; N21-Y23 VanDerWaalsContact O-N 3.17Å; N21-Y23 VanDerWaalsContact OD1-C 3.3Å; N21-Y23 WeakPolarHBondContact OD1-CA 2.9Å; N21-Y23 PolarHBondContact OD1-N 2.76Å; Y23-I25 PolarHBondContact O-N 3.38Å |
| 24 | S | 93.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -52.8 | 126.4 | 177.1 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | N21 G27 Q28 E67 | N21-S24 PolarHBondContact O-N 3.23Å; N21-S24 PolarHBondContact OD1-N 3.33Å; S24-G27 PolarHBondContact O-N 3.02Å; S24-G27 PolarHBondContact OG-N 3.28Å; S24-G27 VanDerWaalsContact OG-N 3.15Å; S24-Q28 WeakPolarHBondContact O-CG 3.47Å; S24-Q28 PolarHBondContact O-N 3.19Å; S24-E67 WeakPolarHBondContact CB-OE1 3.3Å; S24-E67 WeakPolarHBondContact CB-OE2 3.23Å; S24-E67 PolarHBondContact OG-OE1 3.22Å; S24-E67 PolarHBondContact OG-OE2 2.89Å | ||
| 25 | I | 94.6 | Very high | 95.2 | Very high | 116 Ų | 116 | 41.9 Ų | 41.9 | 60% | 0.595 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.2 | -48.3 | -180 | -62.5 | 173.8 | 0 | 0 | 0 | 110.1 | Y23 G27 Q28 Q29 | Y23-I25 PolarHBondContact O-N 3.38Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 3.43Å; I25-Q28 PolarHBondContact O-N 2.8Å; I25-Q29 WeakPolarHBondContact O-CG 3.33Å; I25-Q29 PolarHBondContact O-N 2.78Å |
| 26 | L | 95.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.9 | 177.3 | 57.9 | 0 | 0 | 0 | 110.8 | Q28 Q29 I30 E67 F97 D204 F205 | L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.7Å; L26-Q29 PolarHBondContact O-N 3.33Å; L26-I30 HydrophobicContact CD1-CD1 3.97Å; L26-I30 HydrophobicContact CD1-CG1 4.11Å; L26-I30 HydrophobicContact CG-CD1 3.85Å; L26-I30 HydrophobicContact CG-CG1 4.44Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.09Å; L26-E67 HydrophobicContact CD2-CB 4.05Å; L26-E67 HydrophobicContact CG-CB 4.43Å; L26-F97 HydrophobicContact CD1-CD1 4.48Å; L26-F97 HydrophobicContact CD1-CE1 4.22Å; L26-F97 HydrophobicContact CD1-CZ 4.29Å; L26-F97 HydrophobicContact CD2-CB 3.98Å; L26-F97 HydrophobicContact CD2-CD1 3.9Å; L26-F97 HydrophobicContact CD2-CD2 3.96Å; L26-F97 HydrophobicContact CD2-CE1 4.42Å; L26-F97 HydrophobicContact CD2-CE2 4.47Å; L26-F97 HydrophobicContact CD2-CG 3.68Å; L26-D204 HydrophobicContact CD1-CB 4.42Å; L26-D204 HydrophobicContact CD2-CB 4.21Å; L26-F205 HydrophobicContact CD1-CB 4.34Å; L26-F205 HydrophobicContact CD1-CD1 4.33Å; L26-F205 HydrophobicContact CD1-CD2 3.48Å; L26-F205 VanDerWaalsContact CD1-CD2 3.48Å; L26-F205 HydrophobicContact CD1-CE2 3.78Å; L26-F205 HydrophobicContact CD1-CG 3.79Å; L26-F205 HydrophobicContact CD1-CZ 4.32Å |
| 27 | G | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.1 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S24 I25 I30 R31 | S24-G27 PolarHBondContact O-N 3.02Å; S24-G27 PolarHBondContact OG-N 3.28Å; S24-G27 VanDerWaalsContact OG-N 3.15Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 3.43Å; G27-I30 PolarHBondContact O-N 2.96Å; G27-R31 VanDerWaalsContact O-CG 3.3Å; G27-R31 WeakPolarHBondContact O-CG 3.32Å; G27-R31 PolarHBondContact O-N 3.46Å |
| 28 | Q | 95.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 176 | -71.2 | 176.3 | 12.2 | 0 | 0 | 112.4 | S24 I25 L26 R31 M32 | S24-Q28 WeakPolarHBondContact O-CG 3.47Å; S24-Q28 PolarHBondContact O-N 3.19Å; I25-Q28 PolarHBondContact O-N 2.8Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.7Å; Q28-R31 PolarHBondContact O-N 3.18Å; Q28-M32 WeakPolarHBondContact O-CB 3.3Å; Q28-M32 PolarHBondContact O-N 3.33Å |
| 29 | Q | 96.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 177.3 | -69.3 | 173.4 | -36.2 | 0 | 0 | 111.9 | I25 L26 M32 I33 F205 | I25-Q29 WeakPolarHBondContact O-CG 3.33Å; I25-Q29 PolarHBondContact O-N 2.78Å; L26-Q29 PolarHBondContact O-N 3.33Å; Q29-M32 WeakPolarHBondContact O-CB 3.45Å; Q29-M32 PolarHBondContact O-N 3.04Å; Q29-I33 WeakPolarHBondContact O-CG1 3.19Å; Q29-I33 PolarHBondContact O-N 3.36Å; Q29-F205 HydrophobicContact CB-CD2 3.82Å; Q29-F205 HydrophobicContact CB-CE2 4.45Å |
| 30 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 173.8 | -66 | 163.4 | 0 | 0 | 0 | 110.2 | L17 L26 G27 M32 I33 L34 I65 F97 F205 F215 | L17-I30 HydrophobicContact CD1-CB 4.39Å; L17-I30 HydrophobicContact CD1-CD1 3.99Å; L17-I30 HydrophobicContact CD1-CG2 3.95Å; L17-I30 HydrophobicContact CD2-CB 4.21Å; L17-I30 HydrophobicContact CD2-CG2 3.93Å; L26-I30 HydrophobicContact CD1-CD1 3.97Å; L26-I30 HydrophobicContact CD1-CG1 4.11Å; L26-I30 HydrophobicContact CG-CD1 3.85Å; L26-I30 HydrophobicContact CG-CG1 4.44Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.09Å; G27-I30 PolarHBondContact O-N 2.96Å; I30-M32 VanDerWaalsContact C-N 3.29Å; I30-M32 PolarHBondContact O-N 2.91Å; I30-I33 PolarHBondContact O-N 3.26Å; I30-I33 VanDerWaalsContact O-N 3.16Å; I30-L34 HydrophobicContact CG2-CD1 3.89Å; I30-L34 HydrophobicContact CG2-CG 4.22Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.15Å; I30-I65 HydrophobicContact CD1-CG2 3.99Å; I30-I65 HydrophobicContact CG2-CD1 4.14Å; I30-F97 HydrophobicContact CD1-CE2 3.96Å; I30-F205 HydrophobicContact CG1-CE2 3.63Å; I30-F205 HydrophobicContact CG1-CZ 4.16Å; I30-F215 HydrophobicContact CG1-CZ 4.4Å; I30-F215 HydrophobicContact CG2-CZ 4.03Å |
| 31 | R | 96.8 | Very high | 94.9 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 175.8 | -71.5 | 179.3 | -169.3 | 176.7 | 4.6 | 112 | L17 G27 Q28 I33 L34 N35 Y41 S43 | L17-R31 HydrophobicContact CD2-CG 3.69Å; G27-R31 VanDerWaalsContact O-CG 3.3Å; G27-R31 WeakPolarHBondContact O-CG 3.32Å; G27-R31 PolarHBondContact O-N 3.46Å; Q28-R31 PolarHBondContact O-N 3.18Å; R31-I33 PolarHBondContact O-N 2.92Å; R31-L34 PolarHBondContact O-N 3.43Å; R31-N35 WeakPolarHBondContact O-CB 3.5Å; R31-N35 PolarHBondContact O-N 3.4Å; R31-N35 PolarHBondContact O-OD1 3.48Å; R31-Y41 HydrophobicContact CB-CE2 4.24Å; R31-Y41 HydrophobicContact CG-CD2 4.42Å; R31-Y41 HydrophobicContact CG-CE2 3.63Å; R31-S43 PolarHBondContact NE-OG 3.34Å; R31-S43 PolarHBondContact NH2-OG 3.33Å |
| 32 | M | 95.9 | Very high | 95 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.5 | -179.7 | -165.9 | 71.6 | 0 | 0 | 111.6 | Q28 Q29 I30 N35 Y36 | Q28-M32 WeakPolarHBondContact O-CB 3.3Å; Q28-M32 PolarHBondContact O-N 3.33Å; Q29-M32 WeakPolarHBondContact O-CB 3.45Å; Q29-M32 PolarHBondContact O-N 3.04Å; I30-M32 VanDerWaalsContact C-N 3.29Å; I30-M32 PolarHBondContact O-N 2.91Å; M32-N35 WeakPolarHBondContact O-CB 3.45Å; M32-N35 PolarHBondContact O-N 3.05Å; M32-Y36 HydrophobicContact CG-CD2 4.13Å; M32-Y36 HydrophobicContact CG-CE2 3.82Å; M32-Y36 VanDerWaalsContact O-CD2 3.25Å; M32-Y36 WeakPolarHBondContact O-CD2 3.2Å; M32-Y36 PolarHBondContact O-N 2.98Å; M32-Y36 VanDerWaalsContact O-N 3.11Å; M32-Y36 HydrophobicContact SD-CE2 4.26Å |
| 33 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.1 | -66.1 | 163.5 | 0 | 0 | 0 | 110.3 | Q29 I30 R31 N35 Y36 L37 F205 K212 F215 F452 | Q29-I33 WeakPolarHBondContact O-CG1 3.19Å; Q29-I33 PolarHBondContact O-N 3.36Å; I30-I33 PolarHBondContact O-N 3.26Å; I30-I33 VanDerWaalsContact O-N 3.16Å; R31-I33 PolarHBondContact O-N 2.92Å; I33-N35 VanDerWaalsContact C-N 3.28Å; I33-N35 PolarHBondContact O-N 3.3Å; I33-Y36 PolarHBondContact O-N 3.5Å; I33-Y36 VanDerWaalsContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 HydrophobicContact CG2-CG 4.35Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-F205 HydrophobicContact CD1-CD2 4.24Å; I33-F205 HydrophobicContact CD1-CE2 3.62Å; I33-F205 HydrophobicContact CD1-CZ 4.13Å; I33-K212 HydrophobicContact CD1-CB 4.32Å; I33-K212 HydrophobicContact CD1-CG 4.18Å; I33-F215 HydrophobicContact CB-CE1 4.35Å; I33-F215 HydrophobicContact CD1-CD1 3.99Å; I33-F215 HydrophobicContact CD1-CE1 4.18Å; I33-F215 HydrophobicContact CG2-CD1 4.15Å; I33-F215 HydrophobicContact CG2-CE1 3.9Å; I33-F452 HydrophobicContact CD1-CZ 4.01Å; I33-F452 HydrophobicContact CG1-CE1 4.25Å; I33-F452 HydrophobicContact CG1-CE2 3.86Å; I33-F452 HydrophobicContact CG1-CZ 3.64Å; I33-F452 HydrophobicContact CG2-CE1 4.06Å; I33-F452 HydrophobicContact CG2-CZ 4.31Å |
| 34 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -35.9 | 178.1 | -65.9 | 174.6 | 0 | 0 | 0 | 112.7 | V15 I30 R31 L37 K38 V39 Y41 L219 | V15-L34 HydrophobicContact CB-CD1 4.32Å; V15-L34 HydrophobicContact CG1-CD1 4.05Å; V15-L34 HydrophobicContact CG2-CD2 4.15Å; I30-L34 HydrophobicContact CG2-CD1 3.89Å; I30-L34 HydrophobicContact CG2-CG 4.22Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.15Å; R31-L34 PolarHBondContact O-N 3.43Å; L34-L37 CarbonylContact O-C 3.5Å; L34-L37 PolarHBondContact O-N 2.94Å; L34-K38 PolarHBondContact O-N 2.93Å; L34-K38 VanDerWaalsContact O-N 3.15Å; L34-V39 HydrophobicContact CD2-CB 4.36Å; L34-V39 HydrophobicContact CD2-CG1 4.4Å; L34-V39 PolarHBondContact O-N 3.36Å; L34-Y41 HydrophobicContact CB-CD1 3.67Å; L34-Y41 HydrophobicContact CB-CE1 3.93Å; L34-Y41 HydrophobicContact CD1-CD1 3.89Å; L34-Y41 HydrophobicContact CD1-CG 3.89Å; L34-Y41 HydrophobicContact CG-CD1 4.44Å; L34-L219 HydrophobicContact CD2-CD1 4.33Å |
| 35 | N | 96 | Very high | 95.1 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.3 | -71.8 | -12.6 | 0 | 0 | 0 | 111.7 | R31 M32 I33 L37 K38 Y41 S400 L401 | R31-N35 WeakPolarHBondContact O-CB 3.5Å; R31-N35 PolarHBondContact O-N 3.4Å; R31-N35 PolarHBondContact O-OD1 3.48Å; M32-N35 WeakPolarHBondContact O-CB 3.45Å; M32-N35 PolarHBondContact O-N 3.05Å; I33-N35 VanDerWaalsContact C-N 3.28Å; I33-N35 PolarHBondContact O-N 3.3Å; N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.17Å; N35-K38 PolarHBondContact O-N 2.94Å; N35-Y41 WeakPolarHBondContact OD1-CE1 3.26Å; N35-Y41 PolarHBondContact OD1-OH 2.91Å; N35-S400 CarbonylContact C-O 3.46Å; N35-L401 HydrophobicContact CB-CD2 4.12Å |
| 36 | Y | 95.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 175.2 | -80.7 | -62.6 | 0 | 0 | 0 | 112.1 | M32 I33 K38 F452 N453 | M32-Y36 HydrophobicContact CG-CD2 4.13Å; M32-Y36 HydrophobicContact CG-CE2 3.82Å; M32-Y36 VanDerWaalsContact O-CD2 3.25Å; M32-Y36 WeakPolarHBondContact O-CD2 3.2Å; M32-Y36 PolarHBondContact O-N 2.98Å; M32-Y36 VanDerWaalsContact O-N 3.11Å; M32-Y36 HydrophobicContact SD-CE2 4.26Å; I33-Y36 PolarHBondContact O-N 3.5Å; I33-Y36 VanDerWaalsContact O-N 3.15Å; Y36-K38 PolarHBondContact O-N 3.09Å; Y36-F452 HydrophobicContact CD1-CB 4.21Å; Y36-F452 HydrophobicContact CD2-CB 3.94Å; Y36-F452 AromaticContact CD2-CD2 3.86Å; Y36-F452 HydrophobicContact CD2-CD2 3.86Å; Y36-F452 HydrophobicContact CD2-CG 4.18Å; Y36-F452 HydrophobicContact CE2-CD2 4.2Å; Y36-F452 HydrophobicContact CG-CB 3.72Å; Y36-F452 HydrophobicContact CG-CG 4.41Å; Y36-N453 VanDerWaalsContact CD1-OD1 3.27Å; Y36-N453 WeakPolarHBondContact CD1-OD1 3.41Å; Y36-N453 VanDerWaalsContact CE1-ND2 3.28Å; Y36-N453 WeakPolarHBondContact CE1-ND2 3.36Å; Y36-N453 WeakPolarHBondContact CE1-OD1 3.07Å |
| 37 | L | 95.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3 | 177 | -60.5 | 173.8 | 0 | 0 | 0 | 113.6 | I33 L34 N35 V39 L216 L219 I227 L229 | I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 HydrophobicContact CG2-CG 4.35Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.44Å; L34-L37 CarbonylContact O-C 3.5Å; L34-L37 PolarHBondContact O-N 2.94Å; N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.17Å; L37-V39 HydrophobicContact CB-CG2 3.81Å; L37-V39 PolarHBondContact O-N 3.43Å; L37-V39 VanDerWaalsContact O-N 3.17Å; L37-L216 HydrophobicContact CD1-CD1 3.93Å; L37-L216 HydrophobicContact CD2-CD1 3.55Å; L37-L216 HydrophobicContact CG-CD1 4.33Å; L37-L219 HydrophobicContact CD1-CD1 3.44Å; L37-L219 VanDerWaalsContact CD1-CD1 3.44Å; L37-I227 HydrophobicContact CD1-CG2 3.84Å; L37-L229 HydrophobicContact CD2-CD1 3.58Å; L37-L229 HydrophobicContact CD2-CD2 3.86Å; L37-L229 HydrophobicContact CD2-CG 3.49Å; L37-L229 VanDerWaalsContact CD2-CG 3.49Å |
| 38 | K | 93.7 | Very high | 92.7 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 30.6 | -175.9 | -50.4 | -63.3 | 178.1 | 168.1 | 0 | 112.9 | L34 N35 Y36 R402 Y506 E509 | L34-K38 PolarHBondContact O-N 2.93Å; L34-K38 VanDerWaalsContact O-N 3.15Å; N35-K38 PolarHBondContact O-N 2.94Å; Y36-K38 PolarHBondContact O-N 3.09Å; K38-R402 PolarHBondContact NZ-O 2.91Å; K38-Y506 HydrophobicContact CG-CD1 4.22Å; K38-Y506 HydrophobicContact CG-CE1 3.73Å; K38-E509 WeakPolarHBondContact CE-OE1 3.17Å; K38-E509 IonicContact NZ-OE1 3.65Å; K38-E509 PolarHBondContact NZ-OE1 3.16Å |
| 39 | V | 94.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -91.1 | 129.2 | 179.9 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | V15 L34 L37 Y41 I227 | V15-V39 HydrophobicContact CB-CG1 4.47Å; V15-V39 HydrophobicContact CG2-CG1 3.68Å; L34-V39 HydrophobicContact CD2-CB 4.36Å; L34-V39 HydrophobicContact CD2-CG1 4.4Å; L34-V39 PolarHBondContact O-N 3.36Å; L37-V39 HydrophobicContact CB-CG2 3.81Å; L37-V39 PolarHBondContact O-N 3.43Å; L37-V39 VanDerWaalsContact O-N 3.17Å; V39-Y41 WeakPolarHBondContact O-CD1 3.47Å; V39-I227 HydrophobicContact CG1-CD1 3.88Å; V39-I227 HydrophobicContact CG1-CG1 4.43Å; V39-I227 HydrophobicContact CG2-CB 4.31Å; V39-I227 HydrophobicContact CG2-CD1 4.04Å; V39-I227 HydrophobicContact CG2-CG1 3.86Å; V39-I227 HydrophobicContact CG2-CG2 3.69Å | ||
| 40 | Q | 93 | Very high | 91.2 | Very high | 133 Ų | 133 | 62.6 Ų | 62.6 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 137.5 | 171.7 | -63.7 | -172.9 | 2.4 | 0 | 0 | 110.4 | R14 V15 | R14-Q40 CarbonylContact C-O 3.49Å; R14-Q40 VanDerWaalsContact CA-O 3.23Å; R14-Q40 WeakPolarHBondContact CA-O 3.24Å; R14-Q40 HydrophobicContact CG-CB 4.2Å; R14-Q40 WeakPolarHBondContact CG-O 3.46Å; V15-Q40 PolarHBondContact N-O 3.5Å |
| 41 | Y | 95 | Very high | 90.5 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 158.7 | 175.2 | 61 | -89.6 | 0 | 0 | 0 | 112.2 | V15 R31 L34 N35 V39 | V15-Y41 CarbonylContact O-C 3.2Å; V15-Y41 WeakPolarHBondContact O-CA 3.46Å; V15-Y41 WeakPolarHBondContact O-CB 3.15Å; R31-Y41 HydrophobicContact CB-CE2 4.24Å; R31-Y41 HydrophobicContact CG-CD2 4.42Å; R31-Y41 HydrophobicContact CG-CE2 3.63Å; L34-Y41 HydrophobicContact CB-CD1 3.67Å; L34-Y41 HydrophobicContact CB-CE1 3.93Å; L34-Y41 HydrophobicContact CD1-CD1 3.89Å; L34-Y41 HydrophobicContact CD1-CG 3.89Å; L34-Y41 HydrophobicContact CG-CD1 4.44Å; N35-Y41 WeakPolarHBondContact OD1-CE1 3.26Å; N35-Y41 PolarHBondContact OD1-OH 2.91Å; V39-Y41 WeakPolarHBondContact O-CD1 3.47Å |
| 42 | K | 92.7 | Very high | 90 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.6 | 165.2 | -169 | 176.3 | -173.3 | 173.3 | 0 | 107.5 | V15 L16 L17 L44 Y61 | V15-K42 PolarHBondContact O-N 3.28Å; L16-K42 HydrophobicContact CD1-CB 4.38Å; L17-K42 PolarHBondContact N-O 3.02Å; K42-L44 HydrophobicContact CD-CD1 4.28Å; K42-L44 HydrophobicContact CD-CG 4.45Å; K42-L44 HydrophobicContact CG-CD2 4.48Å; K42-L44 HydrophobicContact CG-CG 4.22Å; K42-Y61 HydrophobicContact CB-CE1 3.92Å; K42-Y61 VanDerWaalsContact CD-OH 3.28Å; K42-Y61 WeakPolarHBondContact CD-OH 3.39Å |
| 43 | S | 93.5 | Very high | 89.6 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 20% | 0.203 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.9 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | L17 I19 R31 | L17-S43 CarbonylContact O-C 3.49Å; L17-S43 VanDerWaalsContact O-CA 3.26Å; L17-S43 WeakPolarHBondContact O-CA 3.33Å; I19-S43 WeakPolarHBondContact CD1-OG 3.42Å; R31-S43 PolarHBondContact NE-OG 3.34Å; R31-S43 PolarHBondContact NH2-OG 3.33Å |
| 44 | L | 92.2 | Very high | 89 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 27% | 0.272 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.8 | -178.4 | -66.3 | 177 | 0 | 0 | 0 | 110.3 | L16 L17 L18 I19 K42 V46 P51 | L16-L44 HydrophobicContact CD1-CD1 4.07Å; L16-L44 HydrophobicContact CD1-CG 4.49Å; L17-L44 PolarHBondContact O-N 3.27Å; L18-L44 WeakPolarHBondContact CA-O 3.41Å; L18-L44 HydrophobicContact CD2-CB 4.27Å; I19-L44 WeakPolarHBondContact CG1-O 3.22Å; I19-L44 PolarHBondContact N-O 3.23Å; K42-L44 HydrophobicContact CD-CD1 4.28Å; K42-L44 HydrophobicContact CD-CG 4.45Å; K42-L44 HydrophobicContact CG-CD2 4.48Å; K42-L44 HydrophobicContact CG-CG 4.22Å; L44-V46 PolarHBondContact O-N 3.16Å; L44-P51 HydrophobicContact CD1-CB 3.73Å; L44-P51 HydrophobicContact CD1-CG 3.71Å |
| 45 | V | 91.1 | Very high | 87.9 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.4 | 164.1 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | I19 D20 Q22 R47 | I19-V45 HydrophobicContact CG1-CG2 4.17Å; I19-V45 CarbonylContact O-C 3.6Å; I19-V45 WeakPolarHBondContact O-CA 3.35Å; D20-V45 WeakPolarHBondContact O-CG1 3.48Å; Q22-V45 HydrophobicContact CG-CG2 3.75Å; V45-R47 PolarHBondContact O-N 3.44Å; V45-R47 VanDerWaalsContact O-N 3.1Å |
| 46 | V | 84.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | trans | -59.2 | 117.3 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L18 I19 L44 R71 | L18-V46 HydrophobicContact CB-CG2 3.79Å; L18-V46 HydrophobicContact CD2-CG2 4.47Å; I19-V46 PolarHBondContact O-N 3.39Å; L44-V46 PolarHBondContact O-N 3.16Å; V46-R71 HydrophobicContact CB-CG 4.47Å; V46-R71 HydrophobicContact CG1-CB 4.17Å; V46-R71 HydrophobicContact CG1-CG 4.29Å; V46-R71 HydrophobicContact CG2-CB 4.38Å; V46-R71 HydrophobicContact CG2-CG 4.3Å | ||
| 47 | R | 79.8 | Confident | 85.6 | Confident | 209 Ų | 209 | 78 Ų | 78 | 79% | 0.789 | 38% | 0.38 | S | S | * | . | trans | -115.9 | 177.4 | 174.7 | -68.9 | -176.5 | -180 | -169.9 | -0.8 | 109.7 | V45 N49 | V45-R47 PolarHBondContact O-N 3.44Å; V45-R47 VanDerWaalsContact O-N 3.1Å; R47-N49 VanDerWaalsContact C-N 3.25Å; R47-N49 PolarHBondContact O-N 2.95Å | ||
| 48 | R | 73.5 | Confident | 85.1 | Confident | 224 Ų | 224 | 79.8 Ų | 79.8 | 85% | 0.845 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -60.6 | -31.7 | 176.7 | -69.5 | -173.7 | -179.6 | -178.9 | 0.7 | 113.4 | N79 | R48-N79 PolarHBondContact O-ND2 2.73Š|
| 49 | N | 77 | Confident | 84.9 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -108.6 | 138.6 | -176 | -64.2 | -15.9 | 0 | 0 | 0 | 111.6 | R47 | R47-N49 VanDerWaalsContact C-N 3.25Å; R47-N49 PolarHBondContact O-N 2.95Å |
| 50 | L | 82.1 | Confident | 84.8 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.3 | 172 | -71 | 170 | 0 | 0 | 0 | 110.6 | L53 M75 N79 L82 L83 | L50-L53 HydrophobicContact CD1-CD1 4.47Å; L50-M75 HydrophobicContact CD1-SD 4.37Å; L50-M75 HydrophobicContact CD2-CE 4.04Å; L50-M75 HydrophobicContact CD2-SD 4.47Å; L50-N79 HydrophobicContact CD1-CB 3.97Å; L50-N79 WeakPolarHBondContact CD1-O 3.37Å; L50-N79 HydrophobicContact CG-CB 4.34Å; L50-L82 HydrophobicContact CD1-CD2 4.48Å; L50-L83 HydrophobicContact CD1-CB 4.18Å; L50-L83 HydrophobicContact CD1-CD1 4.25Å; L50-L83 HydrophobicContact CD2-CD1 4.3Å |
| 51 | P | 84.3 | Confident | 84.9 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 165.8 | 167.2 | 32.8 | -36.9 | 0 | 0 | 0 | 110.3 | L16 L44 L53 | L16-P51 HydrophobicContact CD1-CG 4.05Å; L16-P51 HydrophobicContact CD2-CG 3.87Å; L44-P51 HydrophobicContact CD1-CB 3.73Å; L44-P51 HydrophobicContact CD1-CG 3.71Å; P51-L53 HydrophobicContact CG-CD2 4.41Å; P51-L53 PolarHBondContact O-N 2.96Å; P51-L53 VanDerWaalsContact O-N 3.17Å |
| 52 | S | 85.2 | Confident | 84.9 | Confident | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 124.9 | 165.1 | 166.3 | 0 | 0 | 0 | 0 | 109.6 | A54 R60 Y61 | S52-A54 PolarHBondContact OG-O 3.27Å; S52-A54 VanDerWaalsContact OG-O 3.07Å; S52-R60 WeakPolarHBondContact O-CD 3.48Å; S52-R60 PolarHBondContact OG-NE 3.38Å; S52-Y61 WeakPolarHBondContact O-CE2 3.45Å |
| 53 | L | 88.4 | Confident | 85.1 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | trans | -97.2 | -22.7 | -179 | -60.1 | 177.4 | 0 | 0 | 0 | 112.5 | L16 L50 P51 R60 Y61 L83 Y86 | L16-L53 HydrophobicContact CD2-CD2 4.1Å; L50-L53 HydrophobicContact CD1-CD1 4.47Å; P51-L53 HydrophobicContact CG-CD2 4.41Å; P51-L53 PolarHBondContact O-N 2.96Å; P51-L53 VanDerWaalsContact O-N 3.17Å; L53-R60 VanDerWaalsContact O-CB 3.3Å; L53-R60 WeakPolarHBondContact O-CB 3.42Å; L53-R60 PolarHBondContact O-N 3.48Å; L53-Y61 HydrophobicContact CD2-CD2 4Å; L53-Y61 HydrophobicContact CD2-CE2 4.11Å; L53-L83 HydrophobicContact CD1-CD1 3.73Å; L53-L83 HydrophobicContact CD2-CD1 4.26Å; L53-Y86 HydrophobicContact CB-CD1 4.45Å; L53-Y86 HydrophobicContact CB-CD2 3.55Å; L53-Y86 HydrophobicContact CB-CE2 3.75Å; L53-Y86 HydrophobicContact CB-CG 3.95Å; L53-Y86 HydrophobicContact CD1-CD1 4.24Å; L53-Y86 HydrophobicContact CD1-CD2 4.27Å; L53-Y86 HydrophobicContact CD1-CG 3.84Å; L53-Y86 HydrophobicContact CG-CG 4.46Å; L53-Y86 WeakPolarHBondContact O-CE2 3.36Å | ||
| 54 | A | 84.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 T58 Y86 Y90 | S52-A54 PolarHBondContact OG-O 3.27Å; S52-A54 VanDerWaalsContact OG-O 3.07Å; A54-T58 CarbonylContact C-O 3.59Å; A54-T58 WeakPolarHBondContact CA-O 3.41Å; A54-T58 WeakPolarHBondContact CB-O 3.27Å; A54-Y86 HydrophobicContact CB-CE2 4.46Å; A54-Y90 HydrophobicContact CB-CE2 4.07Å |
| 55 | N | 74.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.8 | 173.3 | -82.8 | -14 | 0 | 0 | 0 | 109.8 | N57 T58 R60 | N55-N57 VanDerWaalsContact C-N 3.27Å; N55-N57 PolarHBondContact O-N 3.38Å; N55-T58 PolarHBondContact N-O 3.02Å; N55-T58 PolarHBondContact O-N 2.9Å; N55-T58 PolarHBondContact O-OG1 3.37Å; N55-R60 VanDerWaalsContact CG-NE 3.26Å; N55-R60 PolarHBondContact ND2-NE 3.01Å; N55-R60 PolarHBondContact ND2-NH2 2.94Å; N55-R60 PolarHBondContact OD1-NE 3.02Å; N55-R60 PolarHBondContact OD1-NH2 3.1Å |
| 56 | Q | 69.2 | Low | 85.9 | Confident | 167 Ų | 167 | 58.7 Ų | 58.7 | 78% | 0.78 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -85.9 | 179.9 | -61.7 | 176.9 | -6 | 0 | 0 | 112 | ||
| 57 | N | 74.5 | Confident | 86.5 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 77% | 0.77 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 4 | 179.2 | -65.6 | -25.8 | 0 | 0 | 0 | 115.2 | N55 | N55-N57 VanDerWaalsContact C-N 3.27Å; N55-N57 PolarHBondContact O-N 3.38Å |
| 58 | T | 83.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.5 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | A54 N55 | A54-T58 CarbonylContact C-O 3.59Å; A54-T58 WeakPolarHBondContact CA-O 3.41Å; A54-T58 WeakPolarHBondContact CB-O 3.27Å; N55-T58 PolarHBondContact N-O 3.02Å; N55-T58 PolarHBondContact O-N 2.9Å; N55-T58 PolarHBondContact O-OG1 3.37Å |
| 59 | G | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K10 C11 E12 | K10-G59 PolarHBondContact O-N 3.02Å; C11-G59 CarbonylContact C-O 3.55Å; C11-G59 VanDerWaalsContact CA-O 3.24Å; C11-G59 WeakPolarHBondContact CA-O 3.26Å; C11-G59 VanDerWaalsContact SG-C 3.5Å; C11-G59 PolarHBondContact SG-O 3.06Å; E12-G59 PolarHBondContact N-O 3.42Å |
| 60 | R | 91.1 | Very high | 89.1 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -86.5 | -18.2 | -177.8 | -67.8 | 178.7 | 174.1 | -141.3 | 5 | 113.4 | R14 S52 L53 N55 Y86 E711 | R14-R60 WeakPolarHBondContact CB-O 3.37Å; S52-R60 WeakPolarHBondContact O-CD 3.48Å; S52-R60 PolarHBondContact OG-NE 3.38Å; L53-R60 VanDerWaalsContact O-CB 3.3Å; L53-R60 WeakPolarHBondContact O-CB 3.42Å; L53-R60 PolarHBondContact O-N 3.48Å; N55-R60 VanDerWaalsContact CG-NE 3.26Å; N55-R60 PolarHBondContact ND2-NE 3.01Å; N55-R60 PolarHBondContact ND2-NH2 2.94Å; N55-R60 PolarHBondContact OD1-NE 3.02Å; N55-R60 PolarHBondContact OD1-NH2 3.1Å; R60-Y86 PolarHBondContact N-OH 3.14Å; R60-E711 IonicContact NH2-OE2 2.67Å |
| 61 | Y | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -138.8 | 115.3 | -173.1 | -48.5 | -73 | 0 | 0 | 0 | 113 | C11 R14 L16 K42 S52 L53 M63 Y86 A92 | C11-Y61 PolarHBondContact SG-N 3.32Å; C11-Y61 PolarHBondContact SG-O 2.92Å; R14-Y61 HydrophobicContact CB-CD1 4.49Å; R14-Y61 HydrophobicContact CG-CD1 4Å; R14-Y61 HydrophobicContact CG-CE1 4.23Å; R14-Y61 CarbonylContact O-C 3.38Å; R14-Y61 VanDerWaalsContact O-CA 3.24Å; R14-Y61 WeakPolarHBondContact O-CA 3.45Å; L16-Y61 HydrophobicContact CB-CD1 3.68Å; L16-Y61 HydrophobicContact CB-CD2 4.05Å; L16-Y61 HydrophobicContact CB-CE1 4.09Å; L16-Y61 HydrophobicContact CB-CE2 4.42Å; L16-Y61 HydrophobicContact CB-CG 3.67Å; L16-Y61 HydrophobicContact CD1-CE1 4.29Å; L16-Y61 HydrophobicContact CD1-CE2 4.48Å; L16-Y61 HydrophobicContact CD2-CD2 4.22Å; L16-Y61 HydrophobicContact CD2-CE2 4.25Å; K42-Y61 HydrophobicContact CB-CE1 3.92Å; K42-Y61 VanDerWaalsContact CD-OH 3.28Å; K42-Y61 WeakPolarHBondContact CD-OH 3.39Å; S52-Y61 WeakPolarHBondContact O-CE2 3.45Å; L53-Y61 HydrophobicContact CD2-CD2 4Å; L53-Y61 HydrophobicContact CD2-CE2 4.11Å; Y61-M63 VanDerWaalsContact C-N 3.26Å; Y61-M63 PolarHBondContact O-N 3.32Å; Y61-Y86 VanDerWaalsContact C-OH 3.27Å; Y61-Y86 WeakPolarHBondContact CA-OH 3.02Å; Y61-Y86 PolarHBondContact N-OH 2.75Å; Y61-Y86 WeakPolarHBondContact O-CE1 3.36Å; Y61-Y86 PolarHBondContact O-OH 3.48Å; Y61-A92 WeakPolarHBondContact O-CB 3.48Å | ||
| 62 | L | 95.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.5 | -27.1 | 176.3 | 176 | 53.9 | 0 | 0 | 0 | 112.5 | C11 E12 T13 R14 A92 S93 T223 R226 | C11-L62 PolarHBondContact SG-N 2.92Å; E12-L62 WeakPolarHBondContact O-CB 3.36Å; E12-L62 PolarHBondContact O-N 3.28Å; T13-L62 HydrophobicContact CG2-CD2 4.3Å; R14-L62 PolarHBondContact O-N 3.36Å; L62-A92 VanDerWaalsContact O-CA 3.24Å; L62-A92 WeakPolarHBondContact O-CA 3.43Å; L62-S93 PolarHBondContact O-N 3.49Å; L62-T223 HydrophobicContact CD2-CG2 3.76Å; L62-T223 HydrophobicContact CG-CG2 3.88Å; L62-R226 HydrophobicContact CD2-CB 3.82Å |
| 63 | M | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145 | -177.6 | -178.4 | -177.7 | -78.5 | 0 | 0 | 110.6 | V15 L16 Y61 I65 S93 V95 L219 L222 T223 | V15-M63 WeakPolarHBondContact CA-O 3.44Å; V15-M63 HydrophobicContact CG2-CB 4.34Å; L16-M63 PolarHBondContact N-O 3.32Å; Y61-M63 VanDerWaalsContact C-N 3.26Å; Y61-M63 PolarHBondContact O-N 3.32Å; M63-I65 HydrophobicContact CG-CG1 4.06Å; M63-I65 HydrophobicContact SD-CD1 4.07Å; M63-I65 HydrophobicContact SD-CG1 4Å; M63-S93 WeakPolarHBondContact CA-O 3.32Å; M63-S93 WeakPolarHBondContact CG-O 3.1Å; M63-V95 HydrophobicContact CE-CG2 3.91Å; M63-V95 HydrophobicContact CG-CG2 4.34Å; M63-V95 HydrophobicContact SD-CB 4.48Å; M63-V95 HydrophobicContact SD-CG2 3.61Å; M63-L219 HydrophobicContact CE-CD2 3.8Å; M63-L219 HydrophobicContact SD-CD2 3.25Å; M63-L219 WeakPolarHBondContact SD-CD2 3.46Å; M63-L222 HydrophobicContact CE-CB 3.71Å; M63-L222 HydrophobicContact CE-CD1 4.15Å; M63-T223 HydrophobicContact CE-CG2 3.56Å |
| 64 | I | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.9 | 175.7 | -54.1 | 163.1 | 0 | 0 | 0 | 107.5 | L16 L18 Y66 L83 Y86 S93 I94 V95 | L16-I64 HydrophobicContact CB-CG1 4.38Å; L16-I64 HydrophobicContact CD2-CG2 4.35Å; L16-I64 CarbonylContact O-C 3.5Å; L16-I64 WeakPolarHBondContact O-CA 2.95Å; L18-I64 HydrophobicContact CD1-CG2 3.82Å; L18-I64 HydrophobicContact CG-CG2 4.45Å; I64-Y66 HydrophobicContact CG2-CD2 4Å; I64-Y66 HydrophobicContact CG2-CE2 3.53Å; I64-L83 HydrophobicContact CD1-CD1 3.45Å; I64-L83 VanDerWaalsContact CD1-CD1 3.45Å; I64-L83 HydrophobicContact CD1-CD2 4.35Å; I64-L83 HydrophobicContact CD1-CG 3.97Å; I64-Y86 HydrophobicContact CD1-CD1 4.34Å; I64-Y86 HydrophobicContact CD1-CE1 4.45Å; I64-S93 PolarHBondContact N-O 3.01Å; I64-I94 CarbonylContact O-C 3.5Å; I64-I94 VanDerWaalsContact O-CA 3.28Å; I64-I94 WeakPolarHBondContact O-CA 3.41Å; I64-V95 PolarHBondContact O-N 3.19Å |
| 65 | I | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.8 | -179.1 | -53.3 | -175.1 | 0 | 0 | 0 | 108.9 | V15 L16 L17 L18 I30 M63 V95 F97 F215 L219 | V15-I65 HydrophobicContact CG1-CD1 3.6Å; V15-I65 HydrophobicContact CG1-CG1 3.75Å; L16-I65 PolarHBondContact O-N 3.45Å; L17-I65 HydrophobicContact CD1-CB 3.93Å; L17-I65 HydrophobicContact CD1-CG2 3.87Å; L18-I65 PolarHBondContact N-O 2.95Å; I30-I65 HydrophobicContact CD1-CG2 3.99Å; I30-I65 HydrophobicContact CG2-CD1 4.14Å; M63-I65 HydrophobicContact CG-CG1 4.06Å; M63-I65 HydrophobicContact SD-CD1 4.07Å; M63-I65 HydrophobicContact SD-CG1 4Å; I65-V95 CarbonylContact C-O 3.6Å; I65-V95 VanDerWaalsContact CA-O 3.22Å; I65-V95 WeakPolarHBondContact CA-O 3.43Å; I65-V95 HydrophobicContact CG1-CB 4.24Å; I65-V95 HydrophobicContact CG2-CB 4.41Å; I65-F97 HydrophobicContact CG2-CE2 4.4Å; I65-F215 HydrophobicContact CD1-CE2 4.13Å; I65-F215 HydrophobicContact CD1-CZ 3.82Å; I65-L219 HydrophobicContact CD1-CD2 4.21Å |
| 66 | Y | 97.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.9 | 174.3 | -77.6 | -93.5 | 0 | 0 | 0 | 110 | L18 I64 N68 R71 Y72 M75 L83 I94 V95 A96 F97 | L18-Y66 HydrophobicContact CB-CD1 4.07Å; L18-Y66 HydrophobicContact CB-CE1 4.23Å; L18-Y66 HydrophobicContact CB-CG 4.49Å; L18-Y66 HydrophobicContact CD1-CD1 3.97Å; L18-Y66 HydrophobicContact CD1-CD2 4.37Å; L18-Y66 HydrophobicContact CD1-CE1 3.34Å; L18-Y66 HydrophobicContact CD1-CE2 3.82Å; L18-Y66 HydrophobicContact CD1-CG 4.44Å; L18-Y66 WeakPolarHBondContact CD1-OH 3.21Å; L18-Y66 HydrophobicContact CG-CE1 4.42Å; I64-Y66 HydrophobicContact CG2-CD2 4Å; I64-Y66 HydrophobicContact CG2-CE2 3.53Å; Y66-N68 PolarHBondContact O-N 3.43Å; Y66-R71 HydrophobicContact CD1-CB 4.31Å; Y66-R71 HydrophobicContact CE1-CB 4.43Å; Y66-Y72 HydrophobicContact CE2-CD2 4.22Å; Y66-M75 VanDerWaalsContact OH-CE 3.27Å; Y66-M75 WeakPolarHBondContact OH-CE 3.4Å; Y66-L83 HydrophobicContact CE2-CD2 4.29Å; Y66-L83 WeakPolarHBondContact OH-CD2 3.3Å; Y66-I94 HydrophobicContact CD2-CG2 3.98Å; Y66-I94 HydrophobicContact CE2-CG2 4.43Å; Y66-V95 PolarHBondContact N-O 3.48Å; Y66-A96 VanDerWaalsContact O-CA 3.31Å; Y66-A96 WeakPolarHBondContact O-CA 3.42Å; Y66-F97 WeakPolarHBondContact O-CD2 3.38Å; Y66-F97 PolarHBondContact O-N 3.1Å |
| 67 | E | 96 | Very high | 92.9 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68.3 | -17.8 | 170.1 | 83.8 | 176.9 | -163.4 | 0 | 0 | 112.8 | L18 I19 D20 S24 L26 F97 | L18-E67 PolarHBondContact O-N 3.06Å; L18-E67 VanDerWaalsContact O-N 3.08Å; I19-E67 VanDerWaalsContact CA-CD 3.42Å; I19-E67 HydrophobicContact CB-CG 4.39Å; I19-E67 VanDerWaalsContact CB-OE2 3.28Å; I19-E67 WeakPolarHBondContact CB-OE2 3.04Å; I19-E67 WeakPolarHBondContact CG2-OE2 3.49Å; D20-E67 WeakPolarHBondContact CA-OE1 3.49Å; D20-E67 WeakPolarHBondContact CB-OE1 3.2Å; D20-E67 VanDerWaalsContact N-CD 3.27Å; D20-E67 PolarHBondContact N-OE1 2.99Å; S24-E67 WeakPolarHBondContact CB-OE1 3.3Å; S24-E67 WeakPolarHBondContact CB-OE2 3.23Å; S24-E67 PolarHBondContact OG-OE1 3.22Å; S24-E67 PolarHBondContact OG-OE2 2.89Å; L26-E67 HydrophobicContact CD2-CB 4.05Å; L26-E67 HydrophobicContact CG-CB 4.43Å; E67-F97 WeakPolarHBondContact O-CB 3Å |
| 68 | N | 95.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | trans | -142.8 | 103.8 | 178.4 | -178.6 | -10.5 | 0 | 0 | 0 | 110.3 | D20 Y66 Y70 R71 F97 P99 | D20-N68 WeakPolarHBondContact OD2-CB 3.24Å; D20-N68 PolarHBondContact OD2-ND2 2.99Å; Y66-N68 PolarHBondContact O-N 3.43Å; N68-Y70 PolarHBondContact O-N 3.22Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.13Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.36Å; N68-Y70 PolarHBondContact OD1-N 3.39Å; N68-Y70 VanDerWaalsContact OD1-N 3.1Å; N68-R71 HydrophobicContact CB-CG 4.23Å; N68-R71 WeakPolarHBondContact O-CB 3.27Å; N68-R71 PolarHBondContact O-N 2.03Å; N68-R71 VanDerWaalsContact O-N 3.15Å; N68-F97 CarbonylContact C-O 3.49Å; N68-F97 WeakPolarHBondContact CA-O 3.33Å; N68-P99 HydrophobicContact CB-CG 4.29Å; N68-P99 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 69 | Y | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.3 | -175.8 | -162.4 | -121.2 | 0 | 0 | 0 | 113.7 | R71 Y72 L73 I94 A96 F97 F98 R198 L200 | Y69-R71 PolarHBondContact O-N 3.43Å; Y69-R71 VanDerWaalsContact O-N 3.16Å; Y69-Y72 HydrophobicContact CD2-CD1 4.07Å; Y69-Y72 HydrophobicContact CD2-CG 4.2Å; Y69-Y72 HydrophobicContact CE1-CD1 4.07Å; Y69-Y72 HydrophobicContact CE1-CE1 4.48Å; Y69-Y72 AromaticContact CE2-CD1 3.36Å; Y69-Y72 HydrophobicContact CE2-CD1 3.36Å; Y69-Y72 AromaticContact CE2-CE1 3.96Å; Y69-Y72 HydrophobicContact CE2-CE1 3.96Å; Y69-Y72 AromaticContact CE2-CG 3.72Å; Y69-Y72 HydrophobicContact CE2-CG 3.72Å; Y69-Y72 AromaticContact CZ-CD1 3.39Å; Y69-Y72 AromaticContact CZ-CE1 3.67Å; Y69-Y72 WeakPolarHBondContact O-CB 3.41Å; Y69-Y72 PolarHBondContact O-N 3.03Å; Y69-Y72 WeakPolarHBondContact OH-CD1 3.24Å; Y69-Y72 VanDerWaalsContact OH-CE1 3.23Å; Y69-Y72 WeakPolarHBondContact OH-CE1 3.49Å; Y69-L73 HydrophobicContact CD1-CD1 3.97Å; Y69-L73 HydrophobicContact CD1-CD2 4.28Å; Y69-L73 HydrophobicContact CD1-CG 3.93Å; Y69-L73 HydrophobicContact CE1-CD1 4.34Å; Y69-L73 HydrophobicContact CE1-CD2 3.87Å; Y69-L73 HydrophobicContact CE1-CG 4.04Å; Y69-L73 PolarHBondContact O-N 3Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; Y69-I94 HydrophobicContact CE2-CG2 4.26Å; Y69-A96 HydrophobicContact CD2-CB 3.17Å; Y69-A96 HydrophobicContact CE2-CB 3.89Å; Y69-A96 HydrophobicContact CG-CB 3.7Å; Y69-F97 PolarHBondContact N-O 3.09Å; Y69-F98 AromaticContact CD1-CE1 3.83Å; Y69-F98 HydrophobicContact CD1-CE1 3.83Å; Y69-F98 AromaticContact CD1-CE2 3.58Å; Y69-F98 HydrophobicContact CD1-CE2 3.58Å; Y69-F98 AromaticContact CD1-CZ 3.19Å; Y69-F98 HydrophobicContact CD1-CZ 3.19Å; Y69-F98 HydrophobicContact CE1-CE2 4.28Å; Y69-F98 AromaticContact CE1-CZ 3.87Å; Y69-F98 HydrophobicContact CE1-CZ 3.87Å; Y69-F98 HydrophobicContact CG-CE2 4.1Å; Y69-F98 HydrophobicContact CG-CZ 4.07Å; Y69-R198 VanDerWaalsContact OH-CD 3.23Å; Y69-R198 WeakPolarHBondContact OH-CD 3.16Å; Y69-R198 PolarHBondContact OH-NE 2.87Å; Y69-L200 HydrophobicContact CE1-CD2 4.28Å; Y69-L200 HydrophobicContact CE2-CD2 4.36Å |
| 70 | Y | 94.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 26% | 0.263 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.5 | -25.8 | 173.4 | -63.1 | -69 | 0 | 0 | 0 | 111.9 | N68 L73 N74 F98 P99 | N68-Y70 PolarHBondContact O-N 3.22Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.13Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.36Å; N68-Y70 PolarHBondContact OD1-N 3.39Å; N68-Y70 VanDerWaalsContact OD1-N 3.1Å; Y70-L73 HydrophobicContact CD1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 2.94Å; Y70-N74 VanDerWaalsContact O-CB 3.26Å; Y70-N74 WeakPolarHBondContact O-CB 3.15Å; Y70-N74 VanDerWaalsContact O-CG 3.31Å; Y70-N74 PolarHBondContact O-N 3.21Å; Y70-N74 PolarHBondContact O-ND2 2.96Å; Y70-F98 HydrophobicContact CE1-CD1 4.28Å; Y70-F98 HydrophobicContact CE1-CE1 4.44Å; Y70-F98 HydrophobicContact CE2-CD1 4.24Å; Y70-F98 AromaticContact CZ-CD1 3.93Å; Y70-P99 HydrophobicContact CD2-CG 3.95Å; Y70-P99 HydrophobicContact CE2-CG 4.08Å |
| 71 | R | 93.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 45% | 0.445 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.6 | -38 | 172.7 | -64.7 | -60.4 | -170.8 | -177 | -0.5 | 113.1 | D20 V46 Y66 N68 Y69 M75 | D20-R71 IonicContact OD1-CZ 3.4Å; D20-R71 IonicContact OD1-NE 3.08Å; D20-R71 PolarHBondContact OD1-NE 2.88Å; D20-R71 IonicContact OD1-NH2 3.36Å; D20-R71 PolarHBondContact OD1-NH2 3.5Å; V46-R71 HydrophobicContact CB-CG 4.47Å; V46-R71 HydrophobicContact CG1-CB 4.17Å; V46-R71 HydrophobicContact CG1-CG 4.29Å; V46-R71 HydrophobicContact CG2-CB 4.38Å; V46-R71 HydrophobicContact CG2-CG 4.3Å; Y66-R71 HydrophobicContact CD1-CB 4.31Å; Y66-R71 HydrophobicContact CE1-CB 4.43Å; N68-R71 HydrophobicContact CB-CG 4.23Å; N68-R71 WeakPolarHBondContact O-CB 3.27Å; N68-R71 PolarHBondContact O-N 2.03Å; N68-R71 VanDerWaalsContact O-N 3.15Å; Y69-R71 PolarHBondContact O-N 3.43Å; Y69-R71 VanDerWaalsContact O-N 3.16Å; R71-M75 PolarHBondContact O-N 3.29Å |
| 72 | Y | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -45.1 | 173.9 | 168.2 | -91.7 | 0 | 0 | 0 | 110.8 | Y66 Y69 N74 M75 R80 L83 D84 I94 F114 R198 | Y66-Y72 HydrophobicContact CE2-CD2 4.22Å; Y69-Y72 HydrophobicContact CD2-CD1 4.07Å; Y69-Y72 HydrophobicContact CD2-CG 4.2Å; Y69-Y72 HydrophobicContact CE1-CD1 4.07Å; Y69-Y72 HydrophobicContact CE1-CE1 4.48Å; Y69-Y72 AromaticContact CE2-CD1 3.36Å; Y69-Y72 HydrophobicContact CE2-CD1 3.36Å; Y69-Y72 AromaticContact CE2-CE1 3.96Å; Y69-Y72 HydrophobicContact CE2-CE1 3.96Å; Y69-Y72 AromaticContact CE2-CG 3.72Å; Y69-Y72 HydrophobicContact CE2-CG 3.72Å; Y69-Y72 AromaticContact CZ-CD1 3.39Å; Y69-Y72 AromaticContact CZ-CE1 3.67Å; Y69-Y72 WeakPolarHBondContact O-CB 3.41Å; Y69-Y72 PolarHBondContact O-N 3.03Å; Y69-Y72 WeakPolarHBondContact OH-CD1 3.24Å; Y69-Y72 VanDerWaalsContact OH-CE1 3.23Å; Y69-Y72 WeakPolarHBondContact OH-CE1 3.49Å; Y72-N74 VanDerWaalsContact C-N 3.32Å; Y72-N74 PolarHBondContact O-N 2.88Å; Y72-M75 VanDerWaalsContact O-CB 3.24Å; Y72-M75 WeakPolarHBondContact O-CB 3.49Å; Y72-M75 PolarHBondContact O-N 2.82Å; Y72-R80 HydrophobicContact CE2-CG 4.32Å; Y72-L83 HydrophobicContact CD2-CD2 4.02Å; Y72-L83 HydrophobicContact CE2-CD2 4.14Å; Y72-D84 PolarHBondContact OH-OD1 2.48Å; Y72-I94 HydrophobicContact CD2-CD1 4.41Å; Y72-I94 HydrophobicContact CE2-CD1 4Å; Y72-F114 HydrophobicContact CE1-CE2 4.19Å; Y72-F114 HydrophobicContact CE1-CZ 4.2Å; Y72-R198 PolarHBondContact OH-NH2 2.82Å; Y72-R198 VanDerWaalsContact OH-NH2 3.12Å |
| 73 | L | 94.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | -179.3 | -64.9 | 174.3 | 0 | 0 | 0 | 112.6 | Y69 Y70 M75 F98 V111 F114 | Y69-L73 HydrophobicContact CD1-CD1 3.97Å; Y69-L73 HydrophobicContact CD1-CD2 4.28Å; Y69-L73 HydrophobicContact CD1-CG 3.93Å; Y69-L73 HydrophobicContact CE1-CD1 4.34Å; Y69-L73 HydrophobicContact CE1-CD2 3.87Å; Y69-L73 HydrophobicContact CE1-CG 4.04Å; Y69-L73 PolarHBondContact O-N 3Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; Y70-L73 HydrophobicContact CD1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 2.94Å; L73-M75 VanDerWaalsContact C-N 3.35Å; L73-F98 HydrophobicContact CD1-CE1 4.26Å; L73-V111 HydrophobicContact CD1-CG1 3.91Å; L73-V111 HydrophobicContact CD2-CG1 3.89Å; L73-F114 HydrophobicContact CD2-CD2 4.26Å; L73-F114 HydrophobicContact CD2-CE2 3.97Å |
| 74 | N | 92.7 | Very high | 94.1 | Very high | 132 Ų | 132 | 52.9 Ų | 52.9 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.2 | 180 | -63 | -26 | 0 | 0 | 0 | 113.5 | Y70 Y72 | Y70-N74 VanDerWaalsContact O-CB 3.26Å; Y70-N74 WeakPolarHBondContact O-CB 3.15Å; Y70-N74 VanDerWaalsContact O-CG 3.31Å; Y70-N74 PolarHBondContact O-N 3.21Å; Y70-N74 PolarHBondContact O-ND2 2.96Å; Y72-N74 VanDerWaalsContact C-N 3.32Å; Y72-N74 PolarHBondContact O-N 2.88Å |
| 75 | M | 91.8 | Very high | 94 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -64.1 | 139.7 | 174.7 | -172.8 | 177.1 | -66.6 | 0 | 0 | 109.8 | L50 Y66 R71 Y72 L73 N79 R80 L83 | L50-M75 HydrophobicContact CD1-SD 4.37Å; L50-M75 HydrophobicContact CD2-CE 4.04Å; L50-M75 HydrophobicContact CD2-SD 4.47Å; Y66-M75 VanDerWaalsContact OH-CE 3.27Å; Y66-M75 WeakPolarHBondContact OH-CE 3.4Å; R71-M75 PolarHBondContact O-N 3.29Å; Y72-M75 VanDerWaalsContact O-CB 3.24Å; Y72-M75 WeakPolarHBondContact O-CB 3.49Å; Y72-M75 PolarHBondContact O-N 2.82Å; L73-M75 VanDerWaalsContact C-N 3.35Å; M75-N79 HydrophobicContact CG-CB 3.67Å; M75-N79 VanDerWaalsContact SD-C 3.57Å; M75-N79 HydrophobicContact SD-CB 3.59Å; M75-N79 VanDerWaalsContact SD-CB 3.59Å; M75-R80 HydrophobicContact CB-CB 4.34Å; M75-R80 HydrophobicContact CG-CB 4.32Å; M75-R80 HydrophobicContact SD-CB 4.25Å; M75-L83 HydrophobicContact CE-CD2 4.42Å |
| 76 | N | 91.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | trans | -56.9 | 149.5 | 175.4 | 71.3 | 65.4 | 0 | 0 | 0 | 110.9 | W78 N79 R80 | N76-W78 VanDerWaalsContact C-N 3.27Å; N76-W78 PolarHBondContact O-N 2.88Å; N76-W78 PolarHBondContact OD1-N 2.72Å; N76-N79 PolarHBondContact ND2-ND2 3.06Å; N76-N79 PolarHBondContact O-N 2.89Å; N76-N79 WeakPolarHBondContact OD1-CB 3.4Å; N76-N79 PolarHBondContact OD1-N 3.25Å; N76-R80 PolarHBondContact O-N 2.8Å | ||
| 77 | R | 90.6 | Very high | 93.8 | Very high | 199 Ų | 199 | 59 Ų | 59 | 75% | 0.751 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -55.5 | -40.4 | -171.1 | -172.5 | 178.2 | -180 | 178.8 | 2.2 | 113.1 | R80 Q81 | R77-R80 PolarHBondContact O-N 2.86Å; R77-Q81 HydrophobicContact CG-CG 4.48Å; R77-Q81 WeakPolarHBondContact O-CB 3.47Å; R77-Q81 VanDerWaalsContact O-CG 3.27Å; R77-Q81 WeakPolarHBondContact O-CG 3.45Å; R77-Q81 PolarHBondContact O-N 2.88Å |
| 78 | W | 90.7 | Very high | 93.8 | Very high | 179 Ų | 179 | 65 Ų | 65 | 68% | 0.678 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -49.9 | -177.7 | -174.5 | 83.4 | 0 | 0 | 0 | 112 | N76 R80 Q81 L82 | N76-W78 VanDerWaalsContact C-N 3.27Å; N76-W78 PolarHBondContact O-N 2.88Å; N76-W78 PolarHBondContact OD1-N 2.72Å; W78-R80 VanDerWaalsContact C-N 3.33Å; W78-R80 PolarHBondContact O-N 3.18Å; W78-Q81 PolarHBondContact O-N 2.94Å; W78-L82 HydrophobicContact CH2-CD2 4.17Å; W78-L82 HydrophobicContact CZ3-CD2 4.24Å; W78-L82 WeakPolarHBondContact O-CB 3.4Å; W78-L82 PolarHBondContact O-N 3.02Å |
| 79 | N | 92 | Very high | 93.7 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 176.6 | -78.2 | -24.9 | 0 | 0 | 0 | 112 | R48 L50 M75 N76 L82 L83 | R48-N79 PolarHBondContact O-ND2 2.73Å; L50-N79 HydrophobicContact CD1-CB 3.97Å; L50-N79 WeakPolarHBondContact CD1-O 3.37Å; L50-N79 HydrophobicContact CG-CB 4.34Å; M75-N79 HydrophobicContact CG-CB 3.67Å; M75-N79 VanDerWaalsContact SD-C 3.57Å; M75-N79 HydrophobicContact SD-CB 3.59Å; M75-N79 VanDerWaalsContact SD-CB 3.59Å; N76-N79 PolarHBondContact ND2-ND2 3.06Å; N76-N79 PolarHBondContact O-N 2.89Å; N76-N79 WeakPolarHBondContact OD1-CB 3.4Å; N76-N79 PolarHBondContact OD1-N 3.25Å; N79-L82 PolarHBondContact O-N 3.16Å; N79-L83 WeakPolarHBondContact O-CB 3.49Å; N79-L83 PolarHBondContact O-N 3.21Å |
| 80 | R | 93.1 | Very high | 93.6 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.6 | -175.9 | 170.9 | 171 | 179.2 | -3.7 | 111.3 | Y72 M75 N76 R77 W78 L82 L83 D84 F114 | Y72-R80 HydrophobicContact CE2-CG 4.32Å; M75-R80 HydrophobicContact CB-CB 4.34Å; M75-R80 HydrophobicContact CG-CB 4.32Å; M75-R80 HydrophobicContact SD-CB 4.25Å; N76-R80 PolarHBondContact O-N 2.8Å; R77-R80 PolarHBondContact O-N 2.86Å; W78-R80 VanDerWaalsContact C-N 3.33Å; W78-R80 PolarHBondContact O-N 3.18Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 3.24Å; R80-L83 PolarHBondContact O-N 2.91Å; R80-D84 WeakPolarHBondContact O-CB 3.38Å; R80-D84 VanDerWaalsContact O-CG 3.26Å; R80-D84 PolarHBondContact O-N 3.39Å; R80-F114 VanDerWaalsContact NH2-CE2 3.25Å |
| 81 | Q | 93.7 | Very high | 93.6 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 175.4 | -76.4 | 175.5 | -22.9 | 0 | 0 | 112.5 | R77 W78 K85 | R77-Q81 HydrophobicContact CG-CG 4.48Å; R77-Q81 WeakPolarHBondContact O-CB 3.47Å; R77-Q81 VanDerWaalsContact O-CG 3.27Å; R77-Q81 WeakPolarHBondContact O-CG 3.45Å; R77-Q81 PolarHBondContact O-N 2.88Å; W78-Q81 PolarHBondContact O-N 2.94Å; Q81-K85 VanDerWaalsContact O-CB 3.25Å; Q81-K85 WeakPolarHBondContact O-CB 3.43Å; Q81-K85 PolarHBondContact O-N 3.49Å |
| 82 | L | 93.7 | Very high | 93.7 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.7 | -179.6 | 63.1 | 0 | 0 | 0 | 111.5 | L50 W78 N79 R80 Y86 | L50-L82 HydrophobicContact CD1-CD2 4.48Å; W78-L82 HydrophobicContact CH2-CD2 4.17Å; W78-L82 HydrophobicContact CZ3-CD2 4.24Å; W78-L82 WeakPolarHBondContact O-CB 3.4Å; W78-L82 PolarHBondContact O-N 3.02Å; N79-L82 PolarHBondContact O-N 3.16Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 3.24Å; L82-Y86 WeakPolarHBondContact O-CB 3.35Å; L82-Y86 PolarHBondContact O-N 2.94Å |
| 83 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 177.9 | -163.9 | 68.5 | 0 | 0 | 0 | 112.1 | L50 L53 I64 Y66 Y72 M75 N79 R80 K85 Y86 C87 | L50-L83 HydrophobicContact CD1-CB 4.18Å; L50-L83 HydrophobicContact CD1-CD1 4.25Å; L50-L83 HydrophobicContact CD2-CD1 4.3Å; L53-L83 HydrophobicContact CD1-CD1 3.73Å; L53-L83 HydrophobicContact CD2-CD1 4.26Å; I64-L83 HydrophobicContact CD1-CD1 3.45Å; I64-L83 VanDerWaalsContact CD1-CD1 3.45Å; I64-L83 HydrophobicContact CD1-CD2 4.35Å; I64-L83 HydrophobicContact CD1-CG 3.97Å; Y66-L83 HydrophobicContact CE2-CD2 4.29Å; Y66-L83 WeakPolarHBondContact OH-CD2 3.3Å; Y72-L83 HydrophobicContact CD2-CD2 4.02Å; Y72-L83 HydrophobicContact CE2-CD2 4.14Å; M75-L83 HydrophobicContact CE-CD2 4.42Å; N79-L83 WeakPolarHBondContact O-CB 3.49Å; N79-L83 PolarHBondContact O-N 3.21Å; R80-L83 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3Å; L83-Y86 WeakPolarHBondContact O-CB 3.34Å; L83-Y86 PolarHBondContact O-N 3.05Å; L83-C87 PolarHBondContact O-N 3.17Å; L83-C87 PolarHBondContact O-SG 3.45Å; L83-C87 VanDerWaalsContact O-SG 3.34Å |
| 84 | D | 95.7 | Very high | 94.1 | Very high | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 179.9 | -68.6 | -19.3 | 0 | 0 | 0 | 111.2 | Y72 R80 C87 R88 | Y72-D84 PolarHBondContact OH-OD1 2.48Å; R80-D84 WeakPolarHBondContact O-CB 3.38Å; R80-D84 VanDerWaalsContact O-CG 3.26Å; R80-D84 PolarHBondContact O-N 3.39Å; D84-C87 PolarHBondContact O-N 2.79Å; D84-R88 WeakPolarHBondContact O-CG 3.18Å; D84-R88 PolarHBondContact O-N 2.82Å |
| 85 | K | 95.2 | Very high | 94.4 | Very high | 120 Ų | 120 | 55.7 Ų | 55.7 | 52% | 0.522 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 171.3 | -175.9 | -176 | 175.4 | -173.7 | 0 | 110.6 | Q81 L83 C87 R88 E89 | Q81-K85 VanDerWaalsContact O-CB 3.25Å; Q81-K85 WeakPolarHBondContact O-CB 3.43Å; Q81-K85 PolarHBondContact O-N 3.49Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3Å; K85-C87 PolarHBondContact O-N 3.28Å; K85-R88 PolarHBondContact O-N 3.14Å; K85-E89 WeakPolarHBondContact CE-OE2 3.49Å; K85-E89 VanDerWaalsContact O-CB 3.32Å; K85-E89 WeakPolarHBondContact O-CB 3.31Å; K85-E89 PolarHBondContact O-N 2.79Å |
| 86 | Y | 95.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 177 | 171.3 | -93 | 0 | 0 | 0 | 111.9 | C11 L53 A54 R60 Y61 I64 L82 L83 R88 E89 Y90 A92 | C11-Y86 PolarHBondContact SG-OH 2.75Å; L53-Y86 HydrophobicContact CB-CD1 4.45Å; L53-Y86 HydrophobicContact CB-CD2 3.55Å; L53-Y86 HydrophobicContact CB-CE2 3.75Å; L53-Y86 HydrophobicContact CB-CG 3.95Å; L53-Y86 HydrophobicContact CD1-CD1 4.24Å; L53-Y86 HydrophobicContact CD1-CD2 4.27Å; L53-Y86 HydrophobicContact CD1-CG 3.84Å; L53-Y86 HydrophobicContact CG-CG 4.46Å; L53-Y86 WeakPolarHBondContact O-CE2 3.36Å; A54-Y86 HydrophobicContact CB-CE2 4.46Å; R60-Y86 PolarHBondContact N-OH 3.14Å; Y61-Y86 VanDerWaalsContact C-OH 3.27Å; Y61-Y86 WeakPolarHBondContact CA-OH 3.02Å; Y61-Y86 PolarHBondContact N-OH 2.75Å; Y61-Y86 WeakPolarHBondContact O-CE1 3.36Å; Y61-Y86 PolarHBondContact O-OH 3.48Å; I64-Y86 HydrophobicContact CD1-CD1 4.34Å; I64-Y86 HydrophobicContact CD1-CE1 4.45Å; L82-Y86 WeakPolarHBondContact O-CB 3.35Å; L82-Y86 PolarHBondContact O-N 2.94Å; L83-Y86 WeakPolarHBondContact O-CB 3.34Å; L83-Y86 PolarHBondContact O-N 3.05Å; Y86-R88 VanDerWaalsContact C-N 3.33Å; Y86-R88 PolarHBondContact O-N 2.79Å; Y86-E89 PolarHBondContact O-N 3.4Å; Y86-Y90 AromaticContact CD2-CD2 3.24Å; Y86-Y90 HydrophobicContact CD2-CD2 3.24Å; Y86-Y90 AromaticContact CD2-CE2 3.65Å; Y86-Y90 HydrophobicContact CD2-CE2 3.65Å; Y86-Y90 HydrophobicContact CD2-CG 4.18Å; Y86-Y90 AromaticContact CE2-CD2 3.33Å; Y86-Y90 HydrophobicContact CE2-CD2 3.33Å; Y86-Y90 AromaticContact CE2-CE2 3.85Å; Y86-Y90 HydrophobicContact CE2-CE2 3.85Å; Y86-Y90 AromaticContact CE2-CG 3.85Å; Y86-Y90 HydrophobicContact CE2-CG 3.85Å; Y86-Y90 HydrophobicContact CG-CD2 4.06Å; Y86-Y90 WeakPolarHBondContact O-CB 3.48Å; Y86-Y90 WeakPolarHBondContact O-CD2 3.27Å; Y86-Y90 PolarHBondContact O-N 3.17Å; Y86-A92 HydrophobicContact CD1-CB 4.18Å; Y86-A92 HydrophobicContact CE1-CB 3.61Å |
| 87 | C | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 178.2 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | L83 D84 K85 G91 A92 V196 | L83-C87 PolarHBondContact O-N 3.17Å; L83-C87 PolarHBondContact O-SG 3.45Å; L83-C87 VanDerWaalsContact O-SG 3.34Å; D84-C87 PolarHBondContact O-N 2.79Å; K85-C87 PolarHBondContact O-N 3.28Å; C87-G91 CarbonylContact O-C 3.55Å; C87-G91 WeakPolarHBondContact O-CA 3.45Å; C87-G91 PolarHBondContact O-N 2.9Å; C87-A92 WeakPolarHBondContact CB-O 3.46Å; C87-A92 PolarHBondContact O-N 3.42Å; C87-V196 HydrophobicContact CB-CB 4.38Å; C87-V196 HydrophobicContact CB-CG1 3.89Å; C87-V196 HydrophobicContact CB-CG2 3.69Å |
| 88 | R | 95 | Very high | 95.2 | Very high | 138 Ų | 138 | 41 Ų | 41 | 52% | 0.521 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 176.4 | -74.7 | -173.3 | -74.2 | -128.1 | 6.8 | 113 | D84 K85 Y86 D194 V196 | D84-R88 WeakPolarHBondContact O-CG 3.18Å; D84-R88 PolarHBondContact O-N 2.82Å; K85-R88 PolarHBondContact O-N 3.14Å; Y86-R88 VanDerWaalsContact C-N 3.33Å; Y86-R88 PolarHBondContact O-N 2.79Å; R88-D194 VanDerWaalsContact CD-O 3.27Å; R88-D194 WeakPolarHBondContact CD-O 3.35Å; R88-D194 PolarHBondContact NH1-O 2.88Å; R88-V196 HydrophobicContact CG-CG2 4.28Å |
| 89 | E | 93.6 | Very high | 95.1 | Very high | 93 Ų | 93 | 34.8 Ų | 34.8 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70 | -39.3 | -172.6 | -173.7 | 170.6 | 172.1 | 0 | 0 | 112.4 | K85 Y86 | K85-E89 WeakPolarHBondContact CE-OE2 3.49Å; K85-E89 VanDerWaalsContact O-CB 3.32Å; K85-E89 WeakPolarHBondContact O-CB 3.31Å; K85-E89 PolarHBondContact O-N 2.79Å; Y86-E89 PolarHBondContact O-N 3.4Å |
| 90 | Y | 93.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 11% | 0.114 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -104 | -0.8 | -176.1 | -64.3 | -76.1 | 0 | 0 | 0 | 113.9 | K10 A54 Y86 A92 | K10-Y90 HydrophobicContact CB-CD1 4.08Å; K10-Y90 WeakPolarHBondContact O-CD1 3.25Å; A54-Y90 HydrophobicContact CB-CE2 4.07Å; Y86-Y90 AromaticContact CD2-CD2 3.24Å; Y86-Y90 HydrophobicContact CD2-CD2 3.24Å; Y86-Y90 AromaticContact CD2-CE2 3.65Å; Y86-Y90 HydrophobicContact CD2-CE2 3.65Å; Y86-Y90 HydrophobicContact CD2-CG 4.18Å; Y86-Y90 AromaticContact CE2-CD2 3.33Å; Y86-Y90 HydrophobicContact CE2-CD2 3.33Å; Y86-Y90 AromaticContact CE2-CE2 3.85Å; Y86-Y90 HydrophobicContact CE2-CE2 3.85Å; Y86-Y90 AromaticContact CE2-CG 3.85Å; Y86-Y90 HydrophobicContact CE2-CG 3.85Å; Y86-Y90 HydrophobicContact CG-CD2 4.06Å; Y86-Y90 WeakPolarHBondContact O-CB 3.48Å; Y86-Y90 WeakPolarHBondContact O-CD2 3.27Å; Y86-Y90 PolarHBondContact O-N 3.17Å; Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 PolarHBondContact O-N 2.91Å |
| 91 | G | 93.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 23.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | C87 | C87-G91 CarbonylContact O-C 3.55Å; C87-G91 WeakPolarHBondContact O-CA 3.45Å; C87-G91 PolarHBondContact O-N 2.9Å |
| 92 | A | 96 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | trans | -73.2 | 143.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y61 L62 Y86 C87 Y90 | Y61-A92 WeakPolarHBondContact O-CB 3.48Å; L62-A92 VanDerWaalsContact O-CA 3.24Å; L62-A92 WeakPolarHBondContact O-CA 3.43Å; Y86-A92 HydrophobicContact CD1-CB 4.18Å; Y86-A92 HydrophobicContact CE1-CB 3.61Å; C87-A92 WeakPolarHBondContact CB-O 3.46Å; C87-A92 PolarHBondContact O-N 3.42Å; Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 PolarHBondContact O-N 2.91Å | ||
| 93 | S | 97.7 | Very high | 91 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 160.6 | -178.9 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L62 M63 I64 L222 | L62-S93 PolarHBondContact O-N 3.49Å; M63-S93 WeakPolarHBondContact CA-O 3.32Å; M63-S93 WeakPolarHBondContact CG-O 3.1Å; I64-S93 PolarHBondContact N-O 3.01Å; S93-L222 PolarHBondContact OG-O 3.01Å |
| 94 | I | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.9 | 179.1 | -59.6 | 177.8 | 0 | 0 | 0 | 110.3 | I64 Y66 Y69 Y72 A96 V196 R197 R198 L199 | I64-I94 CarbonylContact O-C 3.5Å; I64-I94 VanDerWaalsContact O-CA 3.28Å; I64-I94 WeakPolarHBondContact O-CA 3.41Å; Y66-I94 HydrophobicContact CD2-CG2 3.98Å; Y66-I94 HydrophobicContact CE2-CG2 4.43Å; Y69-I94 HydrophobicContact CE2-CG2 4.26Å; Y72-I94 HydrophobicContact CD2-CD1 4.41Å; Y72-I94 HydrophobicContact CE2-CD1 4Å; I94-A96 HydrophobicContact CG2-CB 4.19Å; I94-V196 HydrophobicContact CD1-CG1 3.88Å; I94-V196 HydrophobicContact CG1-CG1 4.08Å; I94-R197 PolarHBondContact N-O 3.1Å; I94-R198 HydrophobicContact CB-CB 4.49Å; I94-R198 HydrophobicContact CB-CG 4.2Å; I94-R198 CarbonylContact O-C 3.49Å; I94-R198 WeakPolarHBondContact O-CA 3.28Å; I94-L199 PolarHBondContact O-N 3.24Å |
| 95 | V | 98.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.2 | 162.4 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | M63 I64 I65 Y66 F97 L199 F201 F215 L222 | M63-V95 HydrophobicContact CE-CG2 3.91Å; M63-V95 HydrophobicContact CG-CG2 4.34Å; M63-V95 HydrophobicContact SD-CB 4.48Å; M63-V95 HydrophobicContact SD-CG2 3.61Å; I64-V95 PolarHBondContact O-N 3.19Å; I65-V95 CarbonylContact C-O 3.6Å; I65-V95 VanDerWaalsContact CA-O 3.22Å; I65-V95 WeakPolarHBondContact CA-O 3.43Å; I65-V95 HydrophobicContact CG1-CB 4.24Å; I65-V95 HydrophobicContact CG2-CB 4.41Å; Y66-V95 PolarHBondContact N-O 3.48Å; V95-F97 HydrophobicContact CG1-CE2 4.31Å; V95-L199 WeakPolarHBondContact CA-O 3.16Å; V95-L199 HydrophobicContact CG2-CB 4.35Å; V95-F201 HydrophobicContact CG1-CD2 4.12Å; V95-F201 HydrophobicContact CG1-CE2 3.78Å; V95-F215 HydrophobicContact CG1-CD2 3.93Å; V95-F215 HydrophobicContact CG1-CE2 3.77Å; V95-L222 HydrophobicContact CG2-CD1 3.64Å |
| 96 | A | 98.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y66 Y69 I94 L199 L200 F201 | Y66-A96 VanDerWaalsContact O-CA 3.31Å; Y66-A96 WeakPolarHBondContact O-CA 3.42Å; Y69-A96 HydrophobicContact CD2-CB 3.17Å; Y69-A96 HydrophobicContact CE2-CB 3.89Å; Y69-A96 HydrophobicContact CG-CB 3.7Å; I94-A96 HydrophobicContact CG2-CB 4.19Å; A96-L199 PolarHBondContact N-O 3.45Å; A96-L200 HydrophobicContact CB-CD2 4.09Å; A96-L200 CarbonylContact O-C 3.55Å; A96-L200 WeakPolarHBondContact O-CA 3.4Å; A96-F201 PolarHBondContact O-N 3.07Å |
| 97 | F | 97.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.3 | 179.5 | -63 | -99.5 | 0 | 0 | 0 | 109.9 | L26 I30 I65 Y66 E67 N68 Y69 V95 P99 F201 N203 F205 F215 | L26-F97 HydrophobicContact CD1-CD1 4.48Å; L26-F97 HydrophobicContact CD1-CE1 4.22Å; L26-F97 HydrophobicContact CD1-CZ 4.29Å; L26-F97 HydrophobicContact CD2-CB 3.98Å; L26-F97 HydrophobicContact CD2-CD1 3.9Å; L26-F97 HydrophobicContact CD2-CD2 3.96Å; L26-F97 HydrophobicContact CD2-CE1 4.42Å; L26-F97 HydrophobicContact CD2-CE2 4.47Å; L26-F97 HydrophobicContact CD2-CG 3.68Å; I30-F97 HydrophobicContact CD1-CE2 3.96Å; I65-F97 HydrophobicContact CG2-CE2 4.4Å; Y66-F97 WeakPolarHBondContact O-CD2 3.38Å; Y66-F97 PolarHBondContact O-N 3.1Å; E67-F97 WeakPolarHBondContact O-CB 3Å; N68-F97 CarbonylContact C-O 3.49Å; N68-F97 WeakPolarHBondContact CA-O 3.33Å; Y69-F97 PolarHBondContact N-O 3.09Å; V95-F97 HydrophobicContact CG1-CE2 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.44Å; F97-F201 HydrophobicContact CD1-CB 3.42Å; F97-F201 VanDerWaalsContact CD1-CB 3.42Å; F97-F201 HydrophobicContact CD1-CD1 4.46Å; F97-F201 HydrophobicContact CD1-CD2 4.39Å; F97-F201 AromaticContact CD1-CG 3.87Å; F97-F201 HydrophobicContact CD1-CG 3.87Å; F97-F201 HydrophobicContact CE1-CB 3.68Å; F97-F201 AromaticContact CE1-CD1 3.86Å; F97-F201 HydrophobicContact CE1-CD1 3.86Å; F97-F201 AromaticContact CE1-CD2 4Å; F97-F201 HydrophobicContact CE1-CD2 4Å; F97-F201 AromaticContact CE1-CG 3.57Å; F97-F201 HydrophobicContact CE1-CG 3.57Å; F97-F201 HydrophobicContact CG-CB 4.06Å; F97-F201 HydrophobicContact CZ-CD1 4.47Å; F97-F201 HydrophobicContact CZ-CD2 4.05Å; F97-F201 HydrophobicContact CZ-CE2 4.44Å; F97-F201 HydrophobicContact CZ-CG 4.1Å; F97-N203 VanDerWaalsContact CD1-O 3.29Å; F97-N203 WeakPolarHBondContact CD1-O 3.43Å; F97-F205 HydrophobicContact CE1-CD1 4.04Å; F97-F205 AromaticContact CE1-CE1 3.6Å; F97-F205 HydrophobicContact CE1-CE1 3.6Å; F97-F205 HydrophobicContact CE1-CZ 4.12Å; F97-F205 HydrophobicContact CZ-CD1 4.33Å; F97-F205 AromaticContact CZ-CE1 3.5Å; F97-F205 HydrophobicContact CZ-CE1 3.5Å; F97-F205 VanDerWaalsContact CZ-CE1 3.5Å; F97-F205 HydrophobicContact CZ-CE2 4.47Å; F97-F205 AromaticContact CZ-CZ 3.58Å; F97-F205 HydrophobicContact CZ-CZ 3.58Å; F97-F215 HydrophobicContact CE2-CD2 4.5Å; F97-F215 HydrophobicContact CE2-CE2 4.38Å; F97-F215 HydrophobicContact CZ-CD2 4.04Å; F97-F215 HydrophobicContact CZ-CE2 4.33Å |
| 98 | F | 95.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | trans | -95.8 | 104.8 | 169.8 | -77.5 | -97.1 | 0 | 0 | 0 | 108.4 | Y69 Y70 L73 L118 V156 F158 L200 F201 | Y69-F98 AromaticContact CD1-CE1 3.83Å; Y69-F98 HydrophobicContact CD1-CE1 3.83Å; Y69-F98 AromaticContact CD1-CE2 3.58Å; Y69-F98 HydrophobicContact CD1-CE2 3.58Å; Y69-F98 AromaticContact CD1-CZ 3.19Å; Y69-F98 HydrophobicContact CD1-CZ 3.19Å; Y69-F98 HydrophobicContact CE1-CE2 4.28Å; Y69-F98 AromaticContact CE1-CZ 3.87Å; Y69-F98 HydrophobicContact CE1-CZ 3.87Å; Y69-F98 HydrophobicContact CG-CE2 4.1Å; Y69-F98 HydrophobicContact CG-CZ 4.07Å; Y70-F98 HydrophobicContact CE1-CD1 4.28Å; Y70-F98 HydrophobicContact CE1-CE1 4.44Å; Y70-F98 HydrophobicContact CE2-CD1 4.24Å; Y70-F98 AromaticContact CZ-CD1 3.93Å; L73-F98 HydrophobicContact CD1-CE1 4.26Å; F98-L118 HydrophobicContact CD1-CD1 3.75Å; F98-L118 HydrophobicContact CE1-CD1 3.56Å; F98-L118 HydrophobicContact CE1-CD2 4.3Å; F98-L118 HydrophobicContact CZ-CD1 4.4Å; F98-L118 HydrophobicContact CZ-CD2 4.42Å; F98-V156 HydrophobicContact CB-CB 4.28Å; F98-V156 HydrophobicContact CB-CG1 4.08Å; F98-V156 HydrophobicContact CB-CG2 4.31Å; F98-F158 AromaticContact CD2-CE1 3.72Å; F98-F158 HydrophobicContact CD2-CE1 3.72Å; F98-F158 AromaticContact CD2-CZ 3.59Å; F98-F158 HydrophobicContact CD2-CZ 3.59Å; F98-F158 AromaticContact CE2-CE1 3.6Å; F98-F158 HydrophobicContact CE2-CE1 3.6Å; F98-F158 AromaticContact CE2-CZ 3.9Å; F98-F158 HydrophobicContact CE2-CZ 3.9Å; F98-F158 HydrophobicContact CG-CE1 4.38Å; F98-F158 HydrophobicContact CG-CZ 4.29Å; F98-F158 HydrophobicContact CZ-CE1 4.16Å; F98-L200 HydrophobicContact CE2-CB 4.19Å; F98-L200 HydrophobicContact CE2-CD1 4.22Å; F98-L200 HydrophobicContact CE2-CD2 4.22Å; F98-L200 HydrophobicContact CE2-CG 4.43Å; F98-F201 PolarHBondContact N-O 2.7Å | ||
| 99 | P | 90 | Very high | 86.5 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | trans | -64.5 | 142.1 | 175 | 28.1 | -34.4 | 0 | 0 | 0 | 109.1 | N68 Y70 F97 A101 | N68-P99 HydrophobicContact CB-CG 4.29Å; N68-P99 WeakPolarHBondContact OD1-CG 3.48Å; Y70-P99 HydrophobicContact CD2-CG 3.95Å; Y70-P99 HydrophobicContact CE2-CG 4.08Å; F97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-A101 PolarHBondContact O-N 2.72Å; P99-A101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | N | 82.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | trans | -78.1 | 103.1 | 174.1 | -163.6 | -7.7 | 0 | 0 | 0 | 109.6 | N102 A154 V156 | N100-N102 PolarHBondContact OD1-N 2.89Å; N100-N102 PolarHBondContact OD1-O 3.38Å; N100-A154 WeakPolarHBondContact ND2-CB 3.35Å; N100-A154 PolarHBondContact ND2-O 2.92Å; N100-V156 HydrophobicContact CB-CG2 4.38Å | ||
| 101 | A | 69.4 | Low | 86.6 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 67% | 0.669 | 30% | 0.303 | S | S | * | . | trans | -81.6 | -21.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P99 | P99-A101 PolarHBondContact O-N 2.72Å; P99-A101 VanDerWaalsContact O-N 3.15Å | ||
| 102 | N | 66.5 | Low | 86.6 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | trans | -131.6 | 117.4 | -174.1 | -73.9 | -24 | 0 | 0 | 0 | 110.1 | N100 K104 | N100-N102 PolarHBondContact OD1-N 2.89Å; N100-N102 PolarHBondContact OD1-O 3.38Å; N102-K104 PolarHBondContact O-N 2.71Å | ||
| 103 | E | 67.3 | Low | 86.4 | Confident | 162 Ų | 162 | 59.9 Ų | 59.9 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -68.6 | -21.5 | 171.8 | -66.5 | -171.1 | 169.2 | 0 | 0 | 112.7 | ||
| 104 | K | 75 | Confident | 86.3 | Confident | 180 Ų | 180 | 60.2 Ų | 60.2 | 78% | 0.783 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -78 | 131.2 | 175.3 | -67.2 | -174.1 | 179.1 | -178.6 | 0 | 110.1 | N102 S106 | N102-K104 PolarHBondContact O-N 2.71Å; K104-S106 PolarHBondContact O-N 2.97Å |
| 105 | E | 70.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | trans | -56.3 | 123 | 172.9 | -71.1 | -178 | 163.5 | 0 | 0 | 110.4 | S120 G121 F175 | E105-S120 VanDerWaalsContact CA-O 3.31Å; E105-S120 WeakPolarHBondContact CA-O 3.49Å; E105-G121 WeakPolarHBondContact CG-O 3.31Å; E105-F175 HydrophobicContact CB-CD2 3.99Å; E105-F175 HydrophobicContact CB-CE2 3.91Å; E105-F175 HydrophobicContact CG-CD2 4.39Å | ||
| 106 | S | 76 | Confident | 86.2 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150.1 | -176.5 | 77.1 | 0 | 0 | 0 | 0 | 112 | K104 S120 | K104-S106 PolarHBondContact O-N 2.97Å; S106-S120 PolarHBondContact N-O 3.34Å; S106-S120 WeakPolarHBondContact OG-CB 3.34Å; S106-S120 PolarHBondContact OG-N 2.95Å |
| 107 | A | 78.2 | Confident | 86 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 158.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | T109 | A107-T109 PolarHBondContact O-N 3.16Å; A107-T109 PolarHBondContact O-OG1 2.87Å |
| 108 | K | 86.2 | Confident | 85.9 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 115.8 | 179.1 | -171.3 | 179.7 | -175.2 | 169.1 | 0 | 111.3 | Y117 L118 Y119 S159 | K108-Y117 HydrophobicContact CD-CD1 4.18Å; K108-Y117 HydrophobicContact CD-CG 4.25Å; K108-Y117 HydrophobicContact CG-CD1 3.96Å; K108-Y117 HydrophobicContact CG-CG 4.13Å; K108-L118 WeakPolarHBondContact CA-O 3.33Å; K108-Y119 HydrophobicContact CB-CD1 4.22Å; K108-Y119 HydrophobicContact CB-CE1 3.58Å; K108-Y119 HydrophobicContact CG-CE1 4.12Å; K108-Y119 HydrophobicContact CG-CE2 4.43Å; K108-S159 WeakPolarHBondContact CE-OG 3.45Å; K108-S159 PolarHBondContact NZ-OG 2.95Å |
| 109 | T | 91.6 | Very high | 85.7 | Confident | 85 Ų | 85 | 66 Ų | 66 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | A107 Y117 L118 | A107-T109 PolarHBondContact O-N 3.16Å; A107-T109 PolarHBondContact O-OG1 2.87Å; T109-Y117 CarbonylContact O-C 3.56Å; T109-Y117 VanDerWaalsContact O-CA 3.23Å; T109-Y117 WeakPolarHBondContact O-CA 3.24Å; T109-L118 PolarHBondContact N-O 3.1Å; T109-L118 PolarHBondContact O-N 2.87Å |
| 110 | K | 95 | Very high | 85.7 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 135.1 | 178.3 | -169.5 | 178 | -178.8 | 179.4 | 0 | 111.2 | P112 F114 Y117 | K110-P112 WeakPolarHBondContact O-CD 3.19Å; K110-F114 WeakPolarHBondContact CE-O 3.49Å; K110-Y117 HydrophobicContact CB-CD1 3.82Å; K110-Y117 HydrophobicContact CB-CE1 3.67Å; K110-Y117 HydrophobicContact CD-CE1 4.23Å; K110-Y117 HydrophobicContact CG-CD1 4.2Å; K110-Y117 HydrophobicContact CG-CE1 3.83Å |
| 111 | V | 94.7 | Very high | 86 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 124 | 172 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | L73 G113 F114 L116 L118 | L73-V111 HydrophobicContact CD1-CG1 3.91Å; L73-V111 HydrophobicContact CD2-CG1 3.89Å; V111-G113 PolarHBondContact O-N 3.06Å; V111-F114 HydrophobicContact CB-CB 4.3Å; V111-F114 HydrophobicContact CG1-CB 4.32Å; V111-F114 HydrophobicContact CG1-CD2 3.88Å; V111-F114 PolarHBondContact O-N 3.11Å; V111-F114 VanDerWaalsContact O-N 3.1Å; V111-F114 VanDerWaalsContact O-O 3.1Å; V111-L116 HydrophobicContact CB-CB 4.3Å; V111-L116 WeakPolarHBondContact CB-O 3.25Å; V111-L116 HydrophobicContact CG2-CB 4.15Å; V111-L116 HydrophobicContact CG2-CD2 4.16Å; V111-L116 HydrophobicContact CG2-CG 4.11Å; V111-L116 WeakPolarHBondContact CG2-O 3.4Å; V111-L116 PolarHBondContact N-O 3.28Å; V111-L118 HydrophobicContact CG2-CD1 3.87Å; V111-L118 HydrophobicContact CG2-CD2 3.86Å; V111-L118 HydrophobicContact CG2-CG 3.57Å |
| 112 | P | 93 | Very high | 86.9 | Confident | 77 Ų | 77 | 58.4 Ų | 58.4 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 123.1 | -177.5 | -27.7 | 35.6 | 0 | 0 | 0 | 113.5 | K110 F114 | K110-P112 WeakPolarHBondContact O-CD 3.19Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 VanDerWaalsContact O-CD2 3.31Å; P112-F114 WeakPolarHBondContact O-CD2 3.34Å |
| 113 | G | 91.8 | Very high | 88 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 75% | 0.753 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 3.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V111 | V111-G113 PolarHBondContact O-N 3.06Š|
| 114 | F | 96.2 | Very high | 88.9 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -130.3 | 144.4 | -178.6 | -64.2 | -79.3 | 0 | 0 | 0 | 111.7 | Y72 L73 R80 K110 V111 P112 L116 | Y72-F114 HydrophobicContact CE1-CE2 4.19Å; Y72-F114 HydrophobicContact CE1-CZ 4.2Å; L73-F114 HydrophobicContact CD2-CD2 4.26Å; L73-F114 HydrophobicContact CD2-CE2 3.97Å; R80-F114 VanDerWaalsContact NH2-CE2 3.25Å; K110-F114 WeakPolarHBondContact CE-O 3.49Å; V111-F114 HydrophobicContact CB-CB 4.3Å; V111-F114 HydrophobicContact CG1-CB 4.32Å; V111-F114 HydrophobicContact CG1-CD2 3.88Å; V111-F114 PolarHBondContact O-N 3.11Å; V111-F114 VanDerWaalsContact O-N 3.1Å; V111-F114 VanDerWaalsContact O-O 3.1Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 VanDerWaalsContact O-CD2 3.31Å; P112-F114 WeakPolarHBondContact O-CD2 3.34Å; F114-L116 HydrophobicContact CB-CB 4.14Å; F114-L116 PolarHBondContact O-N 2.91Å |
| 115 | P | 96.8 | Very high | 89.5 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -77.8 | 53.6 | 169 | 32.7 | -32.6 | 0 | 0 | 0 | 110.7 | N161 H162 Y165 L193 | P115-N161 WeakPolarHBondContact O-CB 3.27Å; P115-N161 PolarHBondContact O-N 2.99Å; P115-H162 HydrophobicContact CB-CB 4.09Å; P115-H162 HydrophobicContact CG-CB 3.6Å; P115-Y165 HydrophobicContact CG-CE2 4.1Å; P115-Y165 WeakPolarHBondContact O-CE2 3.41Å; P115-L193 VanDerWaalsContact CD-CD1 3.4Å; P115-L193 HydrophobicContact CG-CD1 3.41Å; P115-L193 VanDerWaalsContact CG-CD1 3.41Å |
| 116 | L | 96.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.4 | -177.6 | -175.5 | 69.2 | 0 | 0 | 0 | 108.4 | V111 F114 F158 L160 Y165 L200 | V111-L116 HydrophobicContact CB-CB 4.3Å; V111-L116 WeakPolarHBondContact CB-O 3.25Å; V111-L116 HydrophobicContact CG2-CB 4.15Å; V111-L116 HydrophobicContact CG2-CD2 4.16Å; V111-L116 HydrophobicContact CG2-CG 4.11Å; V111-L116 WeakPolarHBondContact CG2-O 3.4Å; V111-L116 PolarHBondContact N-O 3.28Å; F114-L116 HydrophobicContact CB-CB 4.14Å; F114-L116 PolarHBondContact O-N 2.91Å; L116-F158 HydrophobicContact CD1-CB 4.27Å; L116-F158 HydrophobicContact CD1-CD1 4.29Å; L116-F158 HydrophobicContact CD2-CD1 3.97Å; L116-F158 HydrophobicContact CD2-CE1 4.39Å; L116-F158 HydrophobicContact CG-CD1 4.29Å; L116-L160 HydrophobicContact CD1-CD2 3.65Å; L116-Y165 HydrophobicContact CB-CE2 4.03Å; L116-Y165 HydrophobicContact CD1-CD2 4.29Å; L116-Y165 HydrophobicContact CD1-CE2 4.26Å; L116-Y165 HydrophobicContact CD1-CG 4.46Å; L116-L200 HydrophobicContact CD2-CD1 3.69Å |
| 117 | Y | 95.8 | Very high | 91.1 | Very high | 53 Ų | 53 | 44 Ų | 44 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.3 | -178.8 | -61 | -101.7 | 0 | 0 | 0 | 110.9 | K108 T109 K110 F158 S159 N161 | K108-Y117 HydrophobicContact CD-CD1 4.18Å; K108-Y117 HydrophobicContact CD-CG 4.25Å; K108-Y117 HydrophobicContact CG-CD1 3.96Å; K108-Y117 HydrophobicContact CG-CG 4.13Å; T109-Y117 CarbonylContact O-C 3.56Å; T109-Y117 VanDerWaalsContact O-CA 3.23Å; T109-Y117 WeakPolarHBondContact O-CA 3.24Å; K110-Y117 HydrophobicContact CB-CD1 3.82Å; K110-Y117 HydrophobicContact CB-CE1 3.67Å; K110-Y117 HydrophobicContact CD-CE1 4.23Å; K110-Y117 HydrophobicContact CG-CD1 4.2Å; K110-Y117 HydrophobicContact CG-CE1 3.83Å; Y117-F158 WeakPolarHBondContact O-CA 3.45Å; Y117-S159 PolarHBondContact N-O 3.05Å; Y117-S159 PolarHBondContact O-N 3.03Å; Y117-N161 HydrophobicContact CD2-CB 4.1Å; Y117-N161 HydrophobicContact CE2-CB 3.71Å |
| 118 | L | 94 | Very high | 91.9 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.1 | -178.6 | -53.1 | 177.9 | 0 | 0 | 0 | 111 | F98 K108 T109 V111 V156 G157 F158 | F98-L118 HydrophobicContact CD1-CD1 3.75Å; F98-L118 HydrophobicContact CE1-CD1 3.56Å; F98-L118 HydrophobicContact CE1-CD2 4.3Å; F98-L118 HydrophobicContact CZ-CD1 4.4Å; F98-L118 HydrophobicContact CZ-CD2 4.42Å; K108-L118 WeakPolarHBondContact CA-O 3.33Å; T109-L118 PolarHBondContact N-O 3.1Å; T109-L118 PolarHBondContact O-N 2.87Å; V111-L118 HydrophobicContact CG2-CD1 3.87Å; V111-L118 HydrophobicContact CG2-CD2 3.86Å; V111-L118 HydrophobicContact CG2-CG 3.57Å; L118-V156 HydrophobicContact CB-CG1 4.31Å; L118-V156 HydrophobicContact CD2-CG1 4.03Å; L118-G157 CarbonylContact C-O 3.56Å; L118-G157 VanDerWaalsContact CA-O 3.32Å; L118-G157 WeakPolarHBondContact CA-O 3.46Å; L118-F158 HydrophobicContact CD2-CD1 3.31Å; L118-F158 HydrophobicContact CD2-CE1 3.37Å; L118-F158 HydrophobicContact CD2-CG 4.34Å; L118-F158 HydrophobicContact CD2-CZ 4.44Å |
| 119 | Y | 91.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 11% | 0.106 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.6 | 157.8 | -62.4 | -83.5 | 0 | 0 | 0 | 107.3 | K108 L122 V156 G157 F175 L181 V183 | K108-Y119 HydrophobicContact CB-CD1 4.22Å; K108-Y119 HydrophobicContact CB-CE1 3.58Å; K108-Y119 HydrophobicContact CG-CE1 4.12Å; K108-Y119 HydrophobicContact CG-CE2 4.43Å; Y119-L122 HydrophobicContact CG-CD1 4.43Å; Y119-V156 CarbonylContact O-C 3.51Å; Y119-V156 VanDerWaalsContact O-CA 3.26Å; Y119-V156 WeakPolarHBondContact O-CA 3.09Å; Y119-G157 PolarHBondContact N-O 2.49Å; Y119-G157 PolarHBondContact O-N 3.08Å; Y119-F175 HydrophobicContact CD1-CD1 4.39Å; Y119-F175 HydrophobicContact CD1-CE1 4.02Å; Y119-F175 HydrophobicContact CE1-CD1 4.39Å; Y119-F175 AromaticContact CE1-CE1 3.97Å; Y119-F175 HydrophobicContact CE1-CE1 3.97Å; Y119-L181 HydrophobicContact CD1-CD2 4.33Å; Y119-L181 HydrophobicContact CD2-CD2 4.18Å; Y119-L181 HydrophobicContact CE1-CD2 4.11Å; Y119-L181 HydrophobicContact CE2-CD2 3.91Å; Y119-L181 HydrophobicContact CG-CD2 4.36Å; Y119-V183 HydrophobicContact CD2-CG1 3.92Å; Y119-V183 HydrophobicContact CE2-CG1 4.17Å |
| 120 | S | 90.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 156.4 | 175.8 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | E105 S106 L122 | E105-S120 VanDerWaalsContact CA-O 3.31Å; E105-S120 WeakPolarHBondContact CA-O 3.49Å; S106-S120 PolarHBondContact N-O 3.34Å; S106-S120 WeakPolarHBondContact OG-CB 3.34Å; S106-S120 PolarHBondContact OG-N 2.95Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 2.97Å |
| 121 | G | 88.3 | Confident | 92.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 7.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E105 R123 W155 | E105-G121 WeakPolarHBondContact CG-O 3.31Å; G121-R123 PolarHBondContact O-N 3.42Å; G121-W155 PolarHBondContact N-O 3.02Å; G121-W155 VanDerWaalsContact N-O 3.12Å |
| 122 | L | 89.2 | Confident | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 136.7 | -172.5 | -67.1 | -176.7 | 0 | 0 | 0 | 112.6 | Y119 S120 W155 F175 V183 | Y119-L122 HydrophobicContact CG-CD1 4.43Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 2.97Å; L122-W155 HydrophobicContact CB-CB 4.23Å; L122-W155 PolarHBondContact N-O 3.25Å; L122-W155 PolarHBondContact O-N 3.46Å; L122-F175 HydrophobicContact CD2-CB 3.95Å; L122-F175 HydrophobicContact CD2-CD2 4.27Å; L122-F175 HydrophobicContact CD2-CG 4.07Å; L122-V183 HydrophobicContact CD1-CB 4.28Å; L122-V183 HydrophobicContact CD1-CG1 3.91Å; L122-V183 HydrophobicContact CD1-CG2 3.73Å |
| 123 | R | 88.4 | Confident | 92.8 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -96.7 | 126.4 | 165.5 | -55.8 | -61.1 | -175.5 | -143.7 | -2.2 | 109.9 | G121 K151 E152 T153 S173 | G121-R123 PolarHBondContact O-N 3.42Å; R123-K151 WeakPolarHBondContact CD-O 3.04Å; R123-E152 PolarHBondContact NH1-O 3.15Å; R123-T153 PolarHBondContact NH1-O 3.35Å; R123-T153 VanDerWaalsContact NH1-O 3.1Å; R123-S173 WeakPolarHBondContact O-CA 3.48Å; R123-S173 VanDerWaalsContact O-CB 3.28Å; R123-S173 WeakPolarHBondContact O-CB 3.39Å; R123-S173 PolarHBondContact O-OG 2.91Å |
| 124 | L | 88 | Confident | 93 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.4 | -176.5 | -61 | 175 | 0 | 0 | 0 | 111.3 | I149 W155 W172 V183 L185 | L124-I149 HydrophobicContact CB-CG2 4.25Å; L124-W155 HydrophobicContact CD1-CB 4.28Å; L124-W155 HydrophobicContact CD1-CD2 3.64Å; L124-W155 HydrophobicContact CD1-CE3 4.33Å; L124-W155 HydrophobicContact CD1-CG 3.57Å; L124-W155 HydrophobicContact CD1-CZ2 4.41Å; L124-W155 HydrophobicContact CG-CB 4.43Å; L124-W155 HydrophobicContact CG-CG 4Å; L124-W172 WeakPolarHBondContact CA-O 3.17Å; L124-V183 HydrophobicContact CD2-CG2 4.16Å; L124-L185 HydrophobicContact CD1-CD1 3.35Å; L124-L185 HydrophobicContact CD1-CD2 3.64Å; L124-L185 HydrophobicContact CD1-CG 4.11Å; L124-L185 HydrophobicContact CD2-CD2 4.07Å; L124-L185 HydrophobicContact CG-CD2 4.41Å |
| 125 | L | 86.4 | Confident | 93.1 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 53% | 0.529 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -33.7 | 173.2 | -60.3 | 177.1 | 0 | 0 | 0 | 111.8 | W172 L180 | L125-W172 PolarHBondContact N-O 3.43Å; L125-L180 HydrophobicContact CD1-CD2 3.54Å |
| 126 | E | 89 | Confident | 93.2 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 161.9 | 178.7 | 70.6 | -177.9 | 134.2 | 0 | 0 | 110.1 | N128 G171 W172 | E126-N128 PolarHBondContact OE2-ND2 2.82Å; E126-N128 VanDerWaalsContact OE2-ND2 3.16Å; E126-G171 WeakPolarHBondContact O-CA 3.26Å; E126-W172 HydrophobicContact CG-CD2 4.03Å; E126-W172 HydrophobicContact CG-CE3 3.1Å; E126-W172 HydrophobicContact CG-CZ3 3.42Å; E126-W172 VanDerWaalsContact CG-CZ3 3.42Å; E126-W172 PolarHBondContact O-N 3.4Å; E126-W172 VanDerWaalsContact OE1-CD2 3.26Å; E126-W172 VanDerWaalsContact OE1-CZ3 3.23Å; E126-W172 WeakPolarHBondContact OE1-CZ3 3.4Å; E126-W172 WeakPolarHBondContact OE2-CZ3 3.37Å |
| 127 | A | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 135.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F145 I149 L169 Y170 L185 | A127-F145 WeakPolarHBondContact O-CB 3.41Å; A127-F145 WeakPolarHBondContact O-CD2 3.48Å; A127-F145 PolarHBondContact O-N 2.93Å; A127-I149 HydrophobicContact CB-CD1 3.32Å; A127-I149 HydrophobicContact CB-CG1 4.45Å; A127-L169 HydrophobicContact CB-CD1 4.32Å; A127-L169 HydrophobicContact CB-CD2 4.38Å; A127-L169 HydrophobicContact CB-CG 4.32Å; A127-Y170 CarbonylContact C-O 3.58Å; A127-Y170 WeakPolarHBondContact CA-O 3.43Å; A127-L185 HydrophobicContact CB-CD1 3.78Å |
| 128 | N | 95.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.9 | -172.5 | -62.7 | -16 | 0 | 0 | 0 | 109.2 | E126 I143 S144 L169 Y170 W172 | E126-N128 PolarHBondContact OE2-ND2 2.82Å; E126-N128 VanDerWaalsContact OE2-ND2 3.16Å; N128-I143 WeakPolarHBondContact CA-O 3.46Å; N128-S144 WeakPolarHBondContact OD1-CA 3.43Å; N128-S144 WeakPolarHBondContact OD1-CB 3.35Å; N128-S144 PolarHBondContact OD1-OG 3.01Å; N128-L169 WeakPolarHBondContact O-CA 3.3Å; N128-L169 WeakPolarHBondContact O-CD1 3.45Å; N128-Y170 HydrophobicContact CB-CE1 4.06Å; N128-Y170 HydrophobicContact CB-CE2 4.01Å; N128-Y170 PolarHBondContact N-O 3.22Å; N128-Y170 VanDerWaalsContact O-CD1 3.28Å; N128-Y170 WeakPolarHBondContact O-CD1 3.39Å; N128-Y170 WeakPolarHBondContact O-CE1 3.27Å; N128-Y170 PolarHBondContact O-N 3.08Å; N128-W172 HydrophobicContact CB-CZ3 4.4Å; N128-W172 VanDerWaalsContact ND2-CH2 3.28Å; N128-W172 WeakPolarHBondContact ND2-CH2 3.23Å; N128-W172 WeakPolarHBondContact ND2-CZ3 3.47Å |
| 129 | S | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 147.5 | 171.4 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | K140 G142 I143 | S129-K140 PolarHBondContact OG-O 3.48Å; S129-G142 PolarHBondContact O-N 3.21Å; S129-G142 PolarHBondContact OG-N 3.21Å; S129-I143 PolarHBondContact N-O 2.74Å; S129-I143 PolarHBondContact OG-N 2.84Å; S129-I143 PolarHBondContact OG-O 2.91Å |
| 130 | S | 96.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -51.3 | 138.4 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 113.3 | Y132 S133 L136 R141 G142 I168 | S130-Y132 PolarHBondContact OG-N 3.4Å; S130-S133 WeakPolarHBondContact OG-CB 3.29Å; S130-S133 PolarHBondContact OG-N 3Å; S130-L136 VanDerWaalsContact O-CD1 3.3Å; S130-L136 WeakPolarHBondContact O-CD1 3.39Å; S130-R141 WeakPolarHBondContact O-CA 3.36Å; S130-R141 WeakPolarHBondContact O-CB 3.38Å; S130-G142 PolarHBondContact O-N 3.28Å; S130-G142 VanDerWaalsContact O-N 3.14Å; S130-I168 PolarHBondContact N-O 2.94Å | ||
| 131 | D | 95.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -74 | -26.3 | 176.1 | -60 | -63.2 | 0 | 0 | 0 | 113.3 | R141 G142 | D131-R141 WeakPolarHBondContact O-CB 3.48Å; D131-R141 VanDerWaalsContact O-CD 3.31Å; D131-R141 WeakPolarHBondContact O-CD 3.36Å; D131-G142 WeakPolarHBondContact OD1-CA 3.41Å |
| 132 | Y | 94 | Very high | 94.4 | Very high | 169 Ų | 169 | 49.5 Ų | 49.5 | 66% | 0.663 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -127.9 | -6.3 | -166.7 | 51.2 | -96.2 | 0 | 0 | 0 | 114.3 | S130 R134 | S130-Y132 PolarHBondContact OG-N 3.4Å; Y132-R134 PolarHBondContact O-N 3.15Å |
| 133 | S | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -61.4 | 127.1 | -176.4 | -172.4 | 0 | 0 | 0 | 0 | 112 | S130 L135 L136 R141 E166 I168 | S130-S133 WeakPolarHBondContact OG-CB 3.29Å; S130-S133 PolarHBondContact OG-N 3Å; S133-L135 PolarHBondContact O-N 3.29Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 3.38Å; S133-L136 PolarHBondContact O-N 3.21Å; S133-R141 PolarHBondContact O-NE 2.89Å; S133-E166 VanDerWaalsContact CA-OE1 3.29Å; S133-E166 WeakPolarHBondContact CA-OE1 3.1Å; S133-E166 WeakPolarHBondContact CB-OE1 3.38Å; S133-E166 PolarHBondContact OG-OE1 3.16Å; S133-I168 VanDerWaalsContact OG-CD1 3.24Å; S133-I168 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 134 | R | 95.7 | Very high | 94.8 | Very high | 202 Ų | 202 | 50 Ų | 50 | 76% | 0.762 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.2 | 175.1 | -64.1 | -175.8 | -178.7 | 177.9 | 1 | 112.8 | Y132 L136 Y221 | Y132-R134 PolarHBondContact O-N 3.15Å; R134-L136 VanDerWaalsContact C-N 3.31Å; R134-Y221 HydrophobicContact CB-CE2 4.28Å |
| 135 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40 | 173.9 | -178.2 | 148.9 | 0 | 0 | 0 | 110.7 | S133 Y137 I168 L188 L199 D217 Y221 | S133-L135 PolarHBondContact O-N 3.29Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 3.38Å; L135-Y137 PolarHBondContact O-N 3.07Å; L135-I168 HydrophobicContact CB-CD1 4.07Å; L135-I168 HydrophobicContact CD1-CD1 4.1Å; L135-I168 HydrophobicContact CD1-CG1 4.3Å; L135-I168 HydrophobicContact CD2-CD1 4.43Å; L135-I168 HydrophobicContact CD2-CG2 3.87Å; L135-I168 HydrophobicContact CG-CD1 4.45Å; L135-L188 HydrophobicContact CD1-CB 4.34Å; L135-L188 HydrophobicContact CD1-CD1 4.14Å; L135-L188 HydrophobicContact CD1-CD2 4.11Å; L135-L188 HydrophobicContact CD1-CG 4.44Å; L135-L199 HydrophobicContact CD1-CD1 3.92Å; L135-L199 HydrophobicContact CD1-CD2 4.4Å; L135-D217 HydrophobicContact CD2-CB 3.72Å; L135-Y221 HydrophobicContact CB-CD1 4.39Å; L135-Y221 HydrophobicContact CB-CD2 4.1Å; L135-Y221 HydrophobicContact CB-CG 4Å; L135-Y221 HydrophobicContact CD1-CD1 4.02Å; L135-Y221 HydrophobicContact CD1-CG 4.21Å; L135-Y221 HydrophobicContact CG-CD1 4.33Å; L135-Y221 HydrophobicContact CG-CG 4.01Å |
| 136 | L | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -69.7 | 115.9 | 179.9 | -56.4 | -179.7 | 0 | 0 | 0 | 110.5 | S130 S133 R134 R141 I168 L214 | S130-L136 VanDerWaalsContact O-CD1 3.3Å; S130-L136 WeakPolarHBondContact O-CD1 3.39Å; S133-L136 PolarHBondContact O-N 3.21Å; R134-L136 VanDerWaalsContact C-N 3.31Å; L136-R141 HydrophobicContact CB-CG 3.98Å; L136-R141 HydrophobicContact CD1-CG 4.02Å; L136-R141 PolarHBondContact O-NH2 3.24Å; L136-I168 HydrophobicContact CD2-CG2 3.9Å; L136-L214 HydrophobicContact CD2-CD2 3.34Å | ||
| 137 | Y | 97.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -130.2 | -50.1 | -176.7 | -177.9 | -101.7 | 0 | 0 | 0 | 111.9 | L135 D217 R220 L231 T487 | L135-Y137 PolarHBondContact O-N 3.07Å; Y137-D217 WeakPolarHBondContact CA-OD1 3.37Å; Y137-D217 WeakPolarHBondContact CB-OD1 3.4Å; Y137-D217 PolarHBondContact N-OD1 3.21Å; Y137-R220 VanDerWaalsContact CB-NH1 3.3Å; Y137-R220 VanDerWaalsContact CD1-CD 3.41Å; Y137-R220 VanDerWaalsContact CD2-CZ 3.43Å; Y137-L231 HydrophobicContact CD1-CD2 3.81Å; Y137-L231 HydrophobicContact CD1-CG 4.4Å; Y137-L231 HydrophobicContact CE1-CD1 4.1Å; Y137-L231 HydrophobicContact CE1-CD2 3.43Å; Y137-L231 VanDerWaalsContact CE1-CD2 3.43Å; Y137-L231 HydrophobicContact CE1-CG 3.56Å; Y137-L231 HydrophobicContact CE2-CD1 4.19Å; Y137-T487 WeakPolarHBondContact O-CB 3.43Å; Y137-T487 WeakPolarHBondContact O-CG2 3.31Å; Y137-T487 PolarHBondContact O-OG1 3.29Å |
| 138 | Y | 98.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -84.4 | -43.9 | 174 | -55.1 | -70.8 | 0 | 0 | 0 | 111.5 | L216 D217 R220 L229 L231 T486 T487 L488 | Y138-L216 HydrophobicContact CD1-CD2 4.41Å; Y138-L216 HydrophobicContact CD2-CB 4.36Å; Y138-L216 HydrophobicContact CD2-CD2 3.8Å; Y138-L216 HydrophobicContact CD2-CG 3.65Å; Y138-L216 HydrophobicContact CE2-CD1 4.33Å; Y138-L216 HydrophobicContact CE2-CD2 3.98Å; Y138-L216 HydrophobicContact CE2-CG 3.61Å; Y138-L216 HydrophobicContact CG-CD2 4.04Å; Y138-L216 HydrophobicContact CG-CG 4.39Å; Y138-D217 WeakPolarHBondContact CD2-OD1 3.32Å; Y138-D217 PolarHBondContact N-OD1 2.96Å; Y138-R220 HydrophobicContact CE2-CB 4.09Å; Y138-L229 HydrophobicContact CE1-CB 4.36Å; Y138-L229 WeakPolarHBondContact CE1-O 3.37Å; Y138-L229 PolarHBondContact OH-N 2.88Å; Y138-L229 PolarHBondContact OH-O 3.35Å; Y138-L231 HydrophobicContact CD1-CD2 3.8Å; Y138-L231 HydrophobicContact CE1-CD2 4.1Å; Y138-T486 CarbonylContact O-C 3.55Å; Y138-T486 WeakPolarHBondContact O-CA 3.21Å; Y138-T486 WeakPolarHBondContact O-CB 3.44Å; Y138-T487 WeakPolarHBondContact CA-OG1 3.41Å; Y138-T487 PolarHBondContact O-N 2.83Å; Y138-T487 PolarHBondContact O-OG1 3.04Å; Y138-L488 HydrophobicContact CD1-CD2 4.09Å |
| 139 | T | 98.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 134.8 | 172.1 | -48.5 | 0 | 0 | 0 | 0 | 109.4 | F145 L213 L214 D217 | T139-F145 HydrophobicContact CG2-CZ 4.27Å; T139-L213 HydrophobicContact CG2-CD2 4.08Å; T139-L213 WeakPolarHBondContact OG1-CD2 3.37Å; T139-L213 VanDerWaalsContact OG1-CG 3.25Å; T139-L213 WeakPolarHBondContact OG1-CG 3.48Å; T139-L214 HydrophobicContact CG2-CD2 4.12Å; T139-D217 VanDerWaalsContact CB-OD2 3.23Å; T139-D217 WeakPolarHBondContact CB-OD2 3.23Å; T139-D217 PolarHBondContact N-OD2 2.91Å; T139-D217 VanDerWaalsContact N-OD2 3.09Å; T139-D217 PolarHBondContact OG1-OD2 3.24Å |
| 140 | K | 96.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 27% | 0.265 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 150.5 | 170.6 | -48.4 | 178.8 | 179.7 | 166.9 | 0 | 110.5 | S129 I143 R483 C484 W485 T486 T487 | S129-K140 PolarHBondContact OG-O 3.48Å; K140-I143 HydrophobicContact CB-CD1 3.5Å; K140-I143 VanDerWaalsContact CB-CD1 3.5Å; K140-I143 HydrophobicContact CB-CG1 3.96Å; K140-I143 HydrophobicContact CD-CD1 4.13Å; K140-I143 HydrophobicContact CG-CD1 4.08Å; K140-R483 WeakPolarHBondContact CE-O 3.25Å; K140-R483 PolarHBondContact NZ-O 3.42Å; K140-C484 WeakPolarHBondContact CD-O 3.11Å; K140-C484 WeakPolarHBondContact CE-O 3.28Å; K140-C484 PolarHBondContact NZ-O 3.22Å; K140-W485 PolarHBondContact N-O 3.16Å; K140-W485 VanDerWaalsContact N-O 3.15Å; K140-T486 WeakPolarHBondContact CE-O 3.47Å; K140-T486 WeakPolarHBondContact CG-O 3.25Å; K140-T487 HydrophobicContact CB-CG2 4.47Å; K140-T487 HydrophobicContact CG-CG2 3.96Å |
| 141 | R | 96.6 | Very high | 90.8 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 153.8 | 177.9 | -60.3 | -177.1 | -174.2 | 130.4 | 11.6 | 111.4 | S130 D131 S133 L136 I143 | S130-R141 WeakPolarHBondContact O-CA 3.36Å; S130-R141 WeakPolarHBondContact O-CB 3.38Å; D131-R141 WeakPolarHBondContact O-CB 3.48Å; D131-R141 VanDerWaalsContact O-CD 3.31Å; D131-R141 WeakPolarHBondContact O-CD 3.36Å; S133-R141 PolarHBondContact O-NE 2.89Å; L136-R141 HydrophobicContact CB-CG 3.98Å; L136-R141 HydrophobicContact CD1-CG 4.02Å; L136-R141 PolarHBondContact O-NH2 3.24Å; R141-I143 PolarHBondContact O-N 2.9Å |
| 142 | G | 94.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 20.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | S129 S130 D131 | S129-G142 PolarHBondContact O-N 3.21Å; S129-G142 PolarHBondContact OG-N 3.21Å; S130-G142 PolarHBondContact O-N 3.28Å; S130-G142 VanDerWaalsContact O-N 3.14Å; D131-G142 WeakPolarHBondContact OD1-CA 3.41Å |
| 143 | I | 92.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | trans | -84.2 | 137.1 | 174.2 | -52.9 | 168.4 | 0 | 0 | 0 | 110.1 | N128 S129 K140 R141 W485 | N128-I143 WeakPolarHBondContact CA-O 3.46Å; S129-I143 PolarHBondContact N-O 2.74Å; S129-I143 PolarHBondContact OG-N 2.84Å; S129-I143 PolarHBondContact OG-O 2.91Å; K140-I143 HydrophobicContact CB-CD1 3.5Å; K140-I143 VanDerWaalsContact CB-CD1 3.5Å; K140-I143 HydrophobicContact CB-CG1 3.96Å; K140-I143 HydrophobicContact CD-CD1 4.13Å; K140-I143 HydrophobicContact CG-CD1 4.08Å; R141-I143 PolarHBondContact O-N 2.9Å; I143-W485 HydrophobicContact CB-CE3 4.44Å; I143-W485 HydrophobicContact CB-CZ3 4.36Å; I143-W485 HydrophobicContact CD1-CE3 4.06Å; I143-W485 HydrophobicContact CG2-CE3 3.56Å; I143-W485 HydrophobicContact CG2-CH2 4.09Å; I143-W485 HydrophobicContact CG2-CZ3 3.22Å | ||
| 144 | S | 92.8 | Very high | 89.5 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 130.9 | 164.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | N128 G146 W485 | N128-S144 WeakPolarHBondContact OD1-CA 3.43Å; N128-S144 WeakPolarHBondContact OD1-CB 3.35Å; N128-S144 PolarHBondContact OD1-OG 3.01Å; S144-G146 PolarHBondContact OG-N 3.17Å; S144-W485 WeakPolarHBondContact O-CH2 3.39Å |
| 145 | F | 90.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | trans | -102 | 16.9 | 176.4 | -60 | -89.2 | 0 | 0 | 0 | 112.8 | A127 T139 S147 Q148 L169 F208 W209 P210 W485 | A127-F145 WeakPolarHBondContact O-CB 3.41Å; A127-F145 WeakPolarHBondContact O-CD2 3.48Å; A127-F145 PolarHBondContact O-N 2.93Å; T139-F145 HydrophobicContact CG2-CZ 4.27Å; F145-S147 VanDerWaalsContact C-N 3.27Å; F145-S147 PolarHBondContact O-N 3.13Å; F145-S147 VanDerWaalsContact O-N 3.09Å; F145-Q148 WeakPolarHBondContact O-CB 3.29Å; F145-Q148 PolarHBondContact O-N 3.27Å; F145-L169 HydrophobicContact CD2-CD1 4.13Å; F145-L169 HydrophobicContact CE2-CD1 4.08Å; F145-F208 HydrophobicContact CB-CE2 4.1Å; F145-F208 HydrophobicContact CB-CZ 3.51Å; F145-F208 HydrophobicContact CD1-CZ 4.17Å; F145-F208 HydrophobicContact CD2-CZ 4.32Å; F145-F208 AromaticContact CG-CZ 3.77Å; F145-F208 HydrophobicContact CG-CZ 3.77Å; F145-W209 HydrophobicContact CD1-CH2 4.46Å; F145-W209 HydrophobicContact CD1-CZ2 4.04Å; F145-W209 AromaticContact CE1-CH2 3.92Å; F145-W209 HydrophobicContact CE1-CH2 3.92Å; F145-W209 AromaticContact CE1-CZ2 3.96Å; F145-W209 HydrophobicContact CE1-CZ2 3.96Å; F145-P210 HydrophobicContact CD1-CB 4.23Å; F145-P210 HydrophobicContact CD1-CG 3.43Å; F145-P210 VanDerWaalsContact CD1-CG 3.43Å; F145-P210 HydrophobicContact CE1-CB 3.77Å; F145-P210 HydrophobicContact CE1-CG 3.39Å; F145-P210 HydrophobicContact CG-CG 4.18Å; F145-P210 HydrophobicContact CZ-CB 4.01Å; F145-P210 HydrophobicContact CZ-CG 4.11Å; F145-W485 HydrophobicContact CB-CZ3 4.45Å; F145-W485 AromaticContact CD1-CE3 3.56Å; F145-W485 HydrophobicContact CD1-CE3 3.56Å; F145-W485 AromaticContact CD1-CH2 3.92Å; F145-W485 HydrophobicContact CD1-CH2 3.92Å; F145-W485 AromaticContact CD1-CZ3 3.11Å; F145-W485 HydrophobicContact CD1-CZ3 3.11Å; F145-W485 HydrophobicContact CE1-CD2 4.28Å; F145-W485 AromaticContact CE1-CE3 3.22Å; F145-W485 HydrophobicContact CE1-CE3 3.22Å; F145-W485 HydrophobicContact CE1-CH2 4.45Å; F145-W485 AromaticContact CE1-CZ3 3.32Å; F145-W485 HydrophobicContact CE1-CZ3 3.32Å; F145-W485 AromaticContact CG-CZ3 3.82Å; F145-W485 HydrophobicContact CG-CZ3 3.82Å; F145-W485 HydrophobicContact CZ-CE3 4.02Å; F145-W485 HydrophobicContact CZ-CZ3 4.16Å | ||
| 146 | G | 79 | Confident | 89 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -51.4 | -38.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S144 Q148 | S144-G146 PolarHBondContact OG-N 3.17Å; G146-Q148 PolarHBondContact O-N 2.84Å |
| 147 | S | 73 | Confident | 88.8 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 72% | 0.72 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -72.6 | -6.5 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 115.1 | F145 | F145-S147 VanDerWaalsContact C-N 3.27Å; F145-S147 PolarHBondContact O-N 3.13Å; F145-S147 VanDerWaalsContact O-N 3.09Å |
| 148 | Q | 78.5 | Confident | 88.8 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -111 | -5.7 | -170.8 | -55.3 | -59.4 | -60.5 | 0 | 0 | 113.4 | F145 G146 F208 W485 | F145-Q148 WeakPolarHBondContact O-CB 3.29Å; F145-Q148 PolarHBondContact O-N 3.27Å; G146-Q148 PolarHBondContact O-N 2.84Å; Q148-F208 HydrophobicContact CB-CE2 4.16Å; Q148-W485 HydrophobicContact CG-CH2 4.41Å; Q148-W485 HydrophobicContact CG-CZ2 4.46Å |
| 149 | I | 80.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | trans | -89.1 | 127.1 | -178.7 | -65.9 | 172.1 | 0 | 0 | 0 | 109.3 | L124 A127 F208 | L124-I149 HydrophobicContact CB-CG2 4.25Å; A127-I149 HydrophobicContact CB-CD1 3.32Å; A127-I149 HydrophobicContact CB-CG1 4.45Å; I149-F208 HydrophobicContact CG1-CD2 4.14Å; I149-F208 HydrophobicContact CG1-CE2 3.58Å; I149-F208 HydrophobicContact CG1-CZ 4.03Å | ||
| 150 | S | 81.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | trans | -72.7 | 129.4 | 168.4 | 173.5 | 0 | 0 | 0 | 0 | 110 | E152 T153 | S150-E152 PolarHBondContact O-N 3.38Å; S150-E152 PolarHBondContact OG-N 3.42Å; S150-T153 WeakPolarHBondContact CB-OG1 3.35Å; S150-T153 PolarHBondContact O-N 3.39Å | ||
| 151 | K | 77.2 | Confident | 88.5 | Confident | 176 Ų | 176 | 52.2 Ų | 52.2 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.8 | 174.5 | -64.3 | -173.9 | 179.2 | -178.3 | 0 | 113 | R123 | R123-K151 WeakPolarHBondContact CD-O 3.04Š|
| 152 | E | 82.5 | Confident | 88.5 | Confident | 166 Ų | 166 | 49.6 Ų | 49.6 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -15.5 | -179.6 | -62 | 174.9 | 179 | 0 | 0 | 112.6 | R123 S150 | R123-E152 PolarHBondContact NH1-O 3.15Å; S150-E152 PolarHBondContact O-N 3.38Å; S150-E152 PolarHBondContact OG-N 3.42Å |
| 153 | T | 86.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | trans | -71.7 | 133.1 | -178 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | R123 S150 W155 N203 | R123-T153 PolarHBondContact NH1-O 3.35Å; R123-T153 VanDerWaalsContact NH1-O 3.1Å; S150-T153 WeakPolarHBondContact CB-OG1 3.35Å; S150-T153 PolarHBondContact O-N 3.39Å; T153-W155 HydrophobicContact CG2-CZ2 4.22Å; T153-N203 WeakPolarHBondContact CG2-ND2 3.35Å | ||
| 154 | A | 89.1 | Confident | 88.8 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | trans | -97.9 | 126.7 | -179 | 0 | 0 | 0 | 0 | 0 | 109.9 | N100 N203 | N100-A154 WeakPolarHBondContact ND2-CB 3.35Å; N100-A154 PolarHBondContact ND2-O 2.92Å; A154-N203 PolarHBondContact O-ND2 2.92Å; A154-N203 VanDerWaalsContact O-ND2 3.08Å | ||
| 155 | W | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.8 | -174.4 | -68.4 | 83.8 | 0 | 0 | 0 | 113.4 | G121 L122 L124 T153 L185 N203 F208 M211 | G121-W155 PolarHBondContact N-O 3.02Å; G121-W155 VanDerWaalsContact N-O 3.12Å; L122-W155 HydrophobicContact CB-CB 4.23Å; L122-W155 PolarHBondContact N-O 3.25Å; L122-W155 PolarHBondContact O-N 3.46Å; L124-W155 HydrophobicContact CD1-CB 4.28Å; L124-W155 HydrophobicContact CD1-CD2 3.64Å; L124-W155 HydrophobicContact CD1-CE3 4.33Å; L124-W155 HydrophobicContact CD1-CG 3.57Å; L124-W155 HydrophobicContact CD1-CZ2 4.41Å; L124-W155 HydrophobicContact CG-CB 4.43Å; L124-W155 HydrophobicContact CG-CG 4Å; T153-W155 HydrophobicContact CG2-CZ2 4.22Å; W155-L185 HydrophobicContact CB-CD2 4.4Å; W155-L185 HydrophobicContact CD2-CD2 4.44Å; W155-L185 HydrophobicContact CE3-CB 4.5Å; W155-L185 HydrophobicContact CE3-CD2 4.1Å; W155-N203 HydrophobicContact CD2-CB 4.28Å; W155-N203 HydrophobicContact CE3-CB 3.56Å; W155-N203 HydrophobicContact CH2-CB 4.17Å; W155-N203 HydrophobicContact CZ3-CB 3.49Å; W155-N203 VanDerWaalsContact CZ3-CB 3.49Å; W155-F208 HydrophobicContact CH2-CB 3.49Å; W155-F208 VanDerWaalsContact CH2-CB 3.49Å; W155-F208 AromaticContact CH2-CD1 3.73Å; W155-F208 HydrophobicContact CH2-CD1 3.73Å; W155-F208 AromaticContact CH2-CG 3.83Å; W155-F208 HydrophobicContact CH2-CG 3.83Å; W155-F208 HydrophobicContact CZ2-CB 3.66Å; W155-F208 HydrophobicContact CZ2-CD1 4.25Å; W155-F208 AromaticContact CZ2-CG 3.99Å; W155-F208 HydrophobicContact CZ2-CG 3.99Å; W155-M211 HydrophobicContact CH2-CE 3.87Å; W155-M211 HydrophobicContact CH2-SD 4.43Å; W155-M211 HydrophobicContact CZ3-CE 3.8Å; W155-M211 HydrophobicContact CZ3-SD 4.22Å |
| 156 | V | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.3 | 158.2 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | F98 N100 L118 Y119 G202 | F98-V156 HydrophobicContact CB-CB 4.28Å; F98-V156 HydrophobicContact CB-CG1 4.08Å; F98-V156 HydrophobicContact CB-CG2 4.31Å; N100-V156 HydrophobicContact CB-CG2 4.38Å; L118-V156 HydrophobicContact CB-CG1 4.31Å; L118-V156 HydrophobicContact CD2-CG1 4.03Å; Y119-V156 CarbonylContact O-C 3.51Å; Y119-V156 VanDerWaalsContact O-CA 3.26Å; Y119-V156 WeakPolarHBondContact O-CA 3.09Å; V156-G202 WeakPolarHBondContact CB-O 3.21Å; V156-G202 PolarHBondContact N-O 3.39Å; V156-G202 VanDerWaalsContact O-CA 3.24Å; V156-G202 WeakPolarHBondContact O-CA 3.08Å |
| 157 | G | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 148.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L118 Y119 S184 | L118-G157 CarbonylContact C-O 3.56Å; L118-G157 VanDerWaalsContact CA-O 3.32Å; L118-G157 WeakPolarHBondContact CA-O 3.46Å; Y119-G157 PolarHBondContact N-O 2.49Å; Y119-G157 PolarHBondContact O-N 3.08Å; G157-S184 CarbonylContact C-O 3.46Å; G157-S184 WeakPolarHBondContact CA-O 3.28Å |
| 158 | F | 96 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.4 | -179.7 | -58.2 | -85.7 | 0 | 0 | 0 | 110.7 | F98 L116 Y117 L118 L160 S184 L185 V187 L200 | F98-F158 AromaticContact CD2-CE1 3.72Å; F98-F158 HydrophobicContact CD2-CE1 3.72Å; F98-F158 AromaticContact CD2-CZ 3.59Å; F98-F158 HydrophobicContact CD2-CZ 3.59Å; F98-F158 AromaticContact CE2-CE1 3.6Å; F98-F158 HydrophobicContact CE2-CE1 3.6Å; F98-F158 AromaticContact CE2-CZ 3.9Å; F98-F158 HydrophobicContact CE2-CZ 3.9Å; F98-F158 HydrophobicContact CG-CE1 4.38Å; F98-F158 HydrophobicContact CG-CZ 4.29Å; F98-F158 HydrophobicContact CZ-CE1 4.16Å; L116-F158 HydrophobicContact CD1-CB 4.27Å; L116-F158 HydrophobicContact CD1-CD1 4.29Å; L116-F158 HydrophobicContact CD2-CD1 3.97Å; L116-F158 HydrophobicContact CD2-CE1 4.39Å; L116-F158 HydrophobicContact CG-CD1 4.29Å; Y117-F158 WeakPolarHBondContact O-CA 3.45Å; L118-F158 HydrophobicContact CD2-CD1 3.31Å; L118-F158 HydrophobicContact CD2-CE1 3.37Å; L118-F158 HydrophobicContact CD2-CG 4.34Å; L118-F158 HydrophobicContact CD2-CZ 4.44Å; F158-L160 HydrophobicContact CB-CD2 4.11Å; F158-S184 WeakPolarHBondContact CD2-O 3.42Å; F158-S184 PolarHBondContact N-O 3.05Å; F158-S184 PolarHBondContact O-N 2.89Å; F158-L185 WeakPolarHBondContact CE2-O 3.33Å; F158-V187 HydrophobicContact CB-CG2 3.59Å; F158-V187 HydrophobicContact CD1-CG2 4.37Å; F158-V187 HydrophobicContact CD2-CG2 3.65Å; F158-V187 HydrophobicContact CE2-CG2 4.43Å; F158-V187 HydrophobicContact CG-CG2 3.62Å; F158-L200 HydrophobicContact CE1-CB 4.26Å; F158-L200 HydrophobicContact CZ-CB 4.04Å |
| 159 | S | 95.2 | Very high | 92.4 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.7 | 165.9 | 169.7 | 0 | 0 | 0 | 0 | 109.1 | K108 Y117 | K108-S159 WeakPolarHBondContact CE-OG 3.45Å; K108-S159 PolarHBondContact NZ-OG 2.95Å; Y117-S159 PolarHBondContact N-O 3.05Å; Y117-S159 PolarHBondContact O-N 3.03Å |
| 160 | L | 96.1 | Very high | 93 | Very high | 56 Ų | 56 | 42 Ų | 42 | 29% | 0.293 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.9 | -172.4 | -45.2 | -174.9 | 0 | 0 | 0 | 109.5 | L116 F158 Y165 V187 | L116-L160 HydrophobicContact CD1-CD2 3.65Å; F158-L160 HydrophobicContact CB-CD2 4.11Å; L160-Y165 HydrophobicContact CD2-CG 4.38Å; L160-V187 HydrophobicContact CD2-CB 4.37Å; L160-V187 HydrophobicContact CD2-CG1 3.74Å; L160-V187 HydrophobicContact CD2-CG2 3.65Å |
| 161 | N | 95.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 39.4 Ų | 39.4 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | trans | -119.1 | 29.6 | 178.7 | -165.5 | 36.2 | 0 | 0 | 0 | 112.6 | P115 Y117 | P115-N161 WeakPolarHBondContact O-CB 3.27Å; P115-N161 PolarHBondContact O-N 2.99Å; Y117-N161 HydrophobicContact CD2-CB 4.1Å; Y117-N161 HydrophobicContact CE2-CB 3.71Å | ||
| 162 | H | 97.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 32% | 0.324 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -162.7 | 149.2 | 177.9 | -167.5 | -97.2 | 0 | 0 | 0 | 111 | P115 T164 Y165 | P115-H162 HydrophobicContact CB-CB 4.09Å; P115-H162 HydrophobicContact CG-CB 3.6Å; H162-T164 VanDerWaalsContact C-N 3.25Å; H162-T164 HydrophobicContact CB-CG2 4.25Å; H162-T164 VanDerWaalsContact ND1-CB 3.32Å; H162-T164 WeakPolarHBondContact ND1-CB 3.38Å; H162-T164 WeakPolarHBondContact ND1-CG2 3.39Å; H162-T164 PolarHBondContact ND1-N 3.19Å; H162-T164 PolarHBondContact O-N 3.29Å; H162-Y165 HydrophobicContact CB-CD2 3.99Å; H162-Y165 HydrophobicContact CB-CE2 3.98Å; H162-Y165 PolarHBondContact O-N 3.46Å |
| 163 | S | 96.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 25.9 Ų | 25.9 | 61% | 0.608 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.6 | -177.8 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | Y165 | S163-Y165 PolarHBondContact O-N 3.4Š|
| 164 | T | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.7 | 172.4 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | H162 D189 R190 G191 Q192 L193 | H162-T164 VanDerWaalsContact C-N 3.25Å; H162-T164 HydrophobicContact CB-CG2 4.25Å; H162-T164 VanDerWaalsContact ND1-CB 3.32Å; H162-T164 WeakPolarHBondContact ND1-CB 3.38Å; H162-T164 WeakPolarHBondContact ND1-CG2 3.39Å; H162-T164 PolarHBondContact ND1-N 3.19Å; H162-T164 PolarHBondContact O-N 3.29Å; T164-D189 WeakPolarHBondContact CG2-OD1 3.49Å; T164-D189 PolarHBondContact OG1-OD1 3.07Å; T164-R190 WeakPolarHBondContact O-CB 3.49Å; T164-R190 WeakPolarHBondContact O-CG 3.48Å; T164-R190 PolarHBondContact O-N 2.87Å; T164-G191 PolarHBondContact OG1-N 2.83Å; T164-Q192 WeakPolarHBondContact OG1-CB 3.49Å; T164-Q192 PolarHBondContact OG1-N 3.13Å; T164-L193 HydrophobicContact CG2-CD1 4.01Å; T164-L193 HydrophobicContact CG2-CG 4.29Å |
| 165 | Y | 98.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.1 | -175.1 | -58.6 | -59.9 | 0 | 0 | 0 | 111.2 | P115 L116 L160 H162 S163 V187 L188 D189 | P115-Y165 HydrophobicContact CG-CE2 4.1Å; P115-Y165 WeakPolarHBondContact O-CE2 3.41Å; L116-Y165 HydrophobicContact CB-CE2 4.03Å; L116-Y165 HydrophobicContact CD1-CD2 4.29Å; L116-Y165 HydrophobicContact CD1-CE2 4.26Å; L116-Y165 HydrophobicContact CD1-CG 4.46Å; L160-Y165 HydrophobicContact CD2-CG 4.38Å; H162-Y165 HydrophobicContact CB-CD2 3.99Å; H162-Y165 HydrophobicContact CB-CE2 3.98Å; H162-Y165 PolarHBondContact O-N 3.46Å; S163-Y165 PolarHBondContact O-N 3.4Å; Y165-V187 HydrophobicContact CD1-CG1 3.81Å; Y165-V187 HydrophobicContact CG-CG1 4.12Å; Y165-L188 CarbonylContact C-O 3.52Å; Y165-L188 WeakPolarHBondContact CA-O 3.4Å; Y165-D189 HydrophobicContact CD1-CB 3.85Å; Y165-D189 HydrophobicContact CE1-CB 3.73Å |
| 166 | E | 97.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.2 | 174.3 | 179 | -177.2 | 163 | 0 | 0 | 109.3 | S133 I168 V187 L188 R190 | S133-E166 VanDerWaalsContact CA-OE1 3.29Å; S133-E166 WeakPolarHBondContact CA-OE1 3.1Å; S133-E166 WeakPolarHBondContact CB-OE1 3.38Å; S133-E166 PolarHBondContact OG-OE1 3.16Å; E166-I168 HydrophobicContact CG-CD1 4.19Å; E166-I168 PolarHBondContact O-N 2.95Å; E166-V187 WeakPolarHBondContact O-CA 3.37Å; E166-L188 HydrophobicContact CB-CB 4.3Å; E166-L188 PolarHBondContact N-O 3.31Å; E166-L188 PolarHBondContact O-N 3.41Å; E166-R190 IonicContact OE2-CZ 2.81Å; E166-R190 IonicContact OE2-NE 2.96Å; E166-R190 PolarHBondContact OE2-NE 3.38Å; E166-R190 IonicContact OE2-NH2 3.45Å; E166-R190 PolarHBondContact OE2-NH2 3.36Å |
| 167 | S | 97.7 | Very high | 89.7 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.1 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | S184 | S167-S184 WeakPolarHBondContact CB-OG 3.34Å; S167-S184 WeakPolarHBondContact OG-CB 3.28Å; S167-S184 PolarHBondContact OG-OG 3.03Å |
| 168 | I | 97.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -43.4 | 179.7 | -57.2 | -54.3 | 0 | 0 | 0 | 110.9 | S130 S133 L135 L136 E166 I186 L188 L199 L214 | S130-I168 PolarHBondContact N-O 2.94Å; S133-I168 VanDerWaalsContact OG-CD1 3.24Å; S133-I168 WeakPolarHBondContact OG-CD1 3.36Å; L135-I168 HydrophobicContact CB-CD1 4.07Å; L135-I168 HydrophobicContact CD1-CD1 4.1Å; L135-I168 HydrophobicContact CD1-CG1 4.3Å; L135-I168 HydrophobicContact CD2-CD1 4.43Å; L135-I168 HydrophobicContact CD2-CG2 3.87Å; L135-I168 HydrophobicContact CG-CD1 4.45Å; L136-I168 HydrophobicContact CD2-CG2 3.9Å; E166-I168 HydrophobicContact CG-CD1 4.19Å; E166-I168 PolarHBondContact O-N 2.95Å; I168-I186 HydrophobicContact CB-CB 4.13Å; I168-I186 HydrophobicContact CB-CG2 3.9Å; I168-I186 HydrophobicContact CG1-CG2 4.31Å; I168-I186 HydrophobicContact CG2-CG2 4.22Å; I168-I186 PolarHBondContact N-O 3.27Å; I168-L188 HydrophobicContact CD1-CB 3.83Å; I168-L188 HydrophobicContact CD1-CD2 4.45Å; I168-L188 HydrophobicContact CG1-CB 3.87Å; I168-L199 HydrophobicContact CG1-CD1 4.14Å; I168-L214 HydrophobicContact CG2-CD2 4.26Å |
| 169 | L | 96.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.1 | 171.6 | -172.1 | 79.3 | 0 | 0 | 0 | 107 | A127 N128 F145 S184 L185 I186 F208 M211 L214 | A127-L169 HydrophobicContact CB-CD1 4.32Å; A127-L169 HydrophobicContact CB-CD2 4.38Å; A127-L169 HydrophobicContact CB-CG 4.32Å; N128-L169 WeakPolarHBondContact O-CA 3.3Å; N128-L169 WeakPolarHBondContact O-CD1 3.45Å; F145-L169 HydrophobicContact CD2-CD1 4.13Å; F145-L169 HydrophobicContact CE2-CD1 4.08Å; L169-S184 CarbonylContact O-C 3.58Å; L169-L185 HydrophobicContact CB-CB 4.41Å; L169-L185 HydrophobicContact CD2-CB 4.04Å; L169-L185 HydrophobicContact CD2-CD1 3.93Å; L169-L185 HydrophobicContact CG-CB 4.34Å; L169-L185 HydrophobicContact CG-CD1 4.19Å; L169-L185 PolarHBondContact O-N 3.3Å; L169-I186 HydrophobicContact CB-CB 4.05Å; L169-I186 HydrophobicContact CB-CD1 4.13Å; L169-I186 HydrophobicContact CB-CG1 4.13Å; L169-I186 HydrophobicContact CD2-CD1 4.33Å; L169-I186 PolarHBondContact N-O 2.9Å; L169-I186 PolarHBondContact O-N 3.45Å; L169-F208 HydrophobicContact CD2-CD1 4.42Å; L169-F208 HydrophobicContact CD2-CE1 3.96Å; L169-M211 HydrophobicContact CD2-CE 3.23Å; L169-L214 HydrophobicContact CB-CD1 4.28Å; L169-L214 HydrophobicContact CD1-CD1 4.11Å; L169-L214 HydrophobicContact CD2-CD1 4.21Å; L169-L214 HydrophobicContact CG-CD1 4.45Å |
| 170 | Y | 95.2 | Very high | 85.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 163.3 | 177.6 | 59.8 | -79.1 | 0 | 0 | 0 | 110.4 | A127 N128 W172 V183 | A127-Y170 CarbonylContact C-O 3.58Å; A127-Y170 WeakPolarHBondContact CA-O 3.43Å; N128-Y170 HydrophobicContact CB-CE1 4.06Å; N128-Y170 HydrophobicContact CB-CE2 4.01Å; N128-Y170 PolarHBondContact N-O 3.22Å; N128-Y170 VanDerWaalsContact O-CD1 3.28Å; N128-Y170 WeakPolarHBondContact O-CD1 3.39Å; N128-Y170 WeakPolarHBondContact O-CE1 3.27Å; N128-Y170 PolarHBondContact O-N 3.08Å; Y170-W172 HydrophobicContact CD2-CH2 4.06Å; Y170-W172 AromaticContact CD2-CZ3 3.96Å; Y170-W172 HydrophobicContact CD2-CZ3 3.96Å; Y170-W172 AromaticContact CE2-CH2 3.47Å; Y170-W172 HydrophobicContact CE2-CH2 3.47Å; Y170-W172 VanDerWaalsContact CE2-CH2 3.47Å; Y170-W172 HydrophobicContact CE2-CZ2 4.13Å; Y170-W172 AromaticContact CE2-CZ3 3.74Å; Y170-W172 HydrophobicContact CE2-CZ3 3.74Å; Y170-V183 CarbonylContact C-O 3.49Å; Y170-V183 WeakPolarHBondContact CA-O 3.39Å; Y170-V183 WeakPolarHBondContact CB-O 3.22Å |
| 171 | G | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E126 N182 V183 | E126-G171 WeakPolarHBondContact O-CA 3.26Å; G171-N182 PolarHBondContact O-OD1 2.86Å; G171-V183 PolarHBondContact N-O 3.22Å; G171-V183 PolarHBondContact O-N 2.98Å |
| 172 | W | 89.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.2 | -179.8 | -65.7 | -106.9 | 0 | 0 | 0 | 109.6 | L124 L125 E126 N128 Y170 L181 | L124-W172 WeakPolarHBondContact CA-O 3.17Å; L125-W172 PolarHBondContact N-O 3.43Å; E126-W172 HydrophobicContact CG-CD2 4.03Å; E126-W172 HydrophobicContact CG-CE3 3.1Å; E126-W172 HydrophobicContact CG-CZ3 3.42Å; E126-W172 VanDerWaalsContact CG-CZ3 3.42Å; E126-W172 PolarHBondContact O-N 3.4Å; E126-W172 VanDerWaalsContact OE1-CD2 3.26Å; E126-W172 VanDerWaalsContact OE1-CZ3 3.23Å; E126-W172 WeakPolarHBondContact OE1-CZ3 3.4Å; E126-W172 WeakPolarHBondContact OE2-CZ3 3.37Å; N128-W172 HydrophobicContact CB-CZ3 4.4Å; N128-W172 VanDerWaalsContact ND2-CH2 3.28Å; N128-W172 WeakPolarHBondContact ND2-CH2 3.23Å; N128-W172 WeakPolarHBondContact ND2-CZ3 3.47Å; Y170-W172 HydrophobicContact CD2-CH2 4.06Å; Y170-W172 AromaticContact CD2-CZ3 3.96Å; Y170-W172 HydrophobicContact CD2-CZ3 3.96Å; Y170-W172 AromaticContact CE2-CH2 3.47Å; Y170-W172 HydrophobicContact CE2-CH2 3.47Å; Y170-W172 VanDerWaalsContact CE2-CH2 3.47Å; Y170-W172 HydrophobicContact CE2-CZ2 4.13Å; Y170-W172 AromaticContact CE2-CZ3 3.74Å; Y170-W172 HydrophobicContact CE2-CZ3 3.74Å; W172-L181 CarbonylContact C-O 3.44Å; W172-L181 WeakPolarHBondContact CA-O 3.47Å |
| 173 | S | 86 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.9 | 176 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | R123 F175 L181 | R123-S173 WeakPolarHBondContact O-CA 3.48Å; R123-S173 VanDerWaalsContact O-CB 3.28Å; R123-S173 WeakPolarHBondContact O-CB 3.39Å; R123-S173 PolarHBondContact O-OG 2.91Å; S173-F175 PolarHBondContact O-N 3.48Å; S173-L181 PolarHBondContact N-O 3.02Å; S173-L181 PolarHBondContact O-N 2.89Å |
| 174 | S | 76.8 | Confident | 84.7 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 11.1 | 174.4 | 55.9 | 0 | 0 | 0 | 0 | 114 | D176 | S174-D176 PolarHBondContact O-N 2.93Å |
| 175 | F | 68.2 | Low | 84.6 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 29% | 0.285 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | -30.5 | -172.9 | 179.1 | -99.2 | 0 | 0 | 0 | 115 | E105 Y119 L122 S173 K177 L181 | E105-F175 HydrophobicContact CB-CD2 3.99Å; E105-F175 HydrophobicContact CB-CE2 3.91Å; E105-F175 HydrophobicContact CG-CD2 4.39Å; Y119-F175 HydrophobicContact CD1-CD1 4.39Å; Y119-F175 HydrophobicContact CD1-CE1 4.02Å; Y119-F175 HydrophobicContact CE1-CD1 4.39Å; Y119-F175 AromaticContact CE1-CE1 3.97Å; Y119-F175 HydrophobicContact CE1-CE1 3.97Å; L122-F175 HydrophobicContact CD2-CB 3.95Å; L122-F175 HydrophobicContact CD2-CD2 4.27Å; L122-F175 HydrophobicContact CD2-CG 4.07Å; S173-F175 PolarHBondContact O-N 3.48Å; F175-K177 PolarHBondContact O-N 3.12Å; F175-L181 HydrophobicContact CB-CD2 4.32Å; F175-L181 HydrophobicContact CD1-CD2 3.95Å |
| 176 | D | 61.4 | Low | 84.6 | Confident | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.8 | -171.8 | -165.1 | 0.9 | 0 | 0 | 0 | 111.1 | S174 M178 G179 L181 | S174-D176 PolarHBondContact O-N 2.93Å; D176-M178 PolarHBondContact O-N 3.41Å; D176-M178 PolarHBondContact OD1-N 2.95Å; D176-G179 WeakPolarHBondContact CB-O 3.41Å; D176-G179 PolarHBondContact O-N 3.37Å; D176-G179 VanDerWaalsContact O-O 3.13Å; D176-L181 HydrophobicContact CB-CB 4.24Å |
| 177 | K | 57.9 | Low | 84.6 | Confident | 213 Ų | 213 | 48.2 Ų | 48.2 | 93% | 0.926 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.1 | 172.6 | -67.8 | -176.7 | 178.2 | -177.8 | 0 | 111.9 | F175 | F175-K177 PolarHBondContact O-N 3.12Š|
| 178 | M | 55.1 | Low | 84.7 | Confident | 181 Ų | 181 | 47.2 Ų | 47.2 | 89% | 0.892 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -2.3 | 177.7 | -73.7 | 178.9 | 159.4 | 0 | 0 | 115.1 | D176 | D176-M178 PolarHBondContact O-N 3.41Å; D176-M178 PolarHBondContact OD1-N 2.95Å |
| 179 | G | 71.2 | Confident | 84.7 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | -149.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D176 | D176-G179 WeakPolarHBondContact CB-O 3.41Å; D176-G179 PolarHBondContact O-N 3.37Å; D176-G179 VanDerWaalsContact O-O 3.13Å |
| 180 | L | 77.3 | Confident | 84.7 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 58% | 0.576 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.3 | 178.7 | -69.7 | 171.9 | 0 | 0 | 0 | 111 | L125 | L125-L180 HydrophobicContact CD1-CD2 3.54Å |
| 181 | L | 82.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.5 | 174.4 | -177.9 | 68.8 | 0 | 0 | 0 | 110.3 | Y119 W172 S173 F175 D176 V183 | Y119-L181 HydrophobicContact CD1-CD2 4.33Å; Y119-L181 HydrophobicContact CD2-CD2 4.18Å; Y119-L181 HydrophobicContact CE1-CD2 4.11Å; Y119-L181 HydrophobicContact CE2-CD2 3.91Å; Y119-L181 HydrophobicContact CG-CD2 4.36Å; W172-L181 CarbonylContact C-O 3.44Å; W172-L181 WeakPolarHBondContact CA-O 3.47Å; S173-L181 PolarHBondContact N-O 3.02Å; S173-L181 PolarHBondContact O-N 2.89Å; F175-L181 HydrophobicContact CB-CD2 4.32Å; F175-L181 HydrophobicContact CD1-CD2 3.95Å; D176-L181 HydrophobicContact CB-CB 4.24Å; L181-V183 HydrophobicContact CD2-CG1 3.64Å; L181-V183 HydrophobicContact CG-CG1 3.73Å |
| 182 | N | 90.1 | Very high | 85.1 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.2 | 168.6 | -174.6 | 1.7 | 0 | 0 | 0 | 110.3 | G171 | G171-N182 PolarHBondContact O-OD1 2.86Å |
| 183 | V | 93.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148 | 178.3 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | Y119 L122 L124 Y170 G171 L181 L185 | Y119-V183 HydrophobicContact CD2-CG1 3.92Å; Y119-V183 HydrophobicContact CE2-CG1 4.17Å; L122-V183 HydrophobicContact CD1-CB 4.28Å; L122-V183 HydrophobicContact CD1-CG1 3.91Å; L122-V183 HydrophobicContact CD1-CG2 3.73Å; L124-V183 HydrophobicContact CD2-CG2 4.16Å; Y170-V183 CarbonylContact C-O 3.49Å; Y170-V183 WeakPolarHBondContact CA-O 3.39Å; Y170-V183 WeakPolarHBondContact CB-O 3.22Å; G171-V183 PolarHBondContact N-O 3.22Å; G171-V183 PolarHBondContact O-N 2.98Å; L181-V183 HydrophobicContact CD2-CG1 3.64Å; L181-V183 HydrophobicContact CG-CG1 3.73Å; V183-L185 HydrophobicContact CG2-CD2 4.1Å |
| 184 | S | 96.4 | Very high | 85.8 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.3 | 166.5 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | G157 F158 S167 L169 | G157-S184 CarbonylContact C-O 3.46Å; G157-S184 WeakPolarHBondContact CA-O 3.28Å; F158-S184 WeakPolarHBondContact CD2-O 3.42Å; F158-S184 PolarHBondContact N-O 3.05Å; F158-S184 PolarHBondContact O-N 2.89Å; S167-S184 WeakPolarHBondContact CB-OG 3.34Å; S167-S184 WeakPolarHBondContact OG-CB 3.28Å; S167-S184 PolarHBondContact OG-OG 3.03Å; L169-S184 CarbonylContact O-C 3.58Å |
| 185 | L | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -27.8 | 179.7 | -55.9 | 172.2 | 0 | 0 | 0 | 111.7 | L124 A127 W155 F158 L169 V183 G202 | L124-L185 HydrophobicContact CD1-CD1 3.35Å; L124-L185 HydrophobicContact CD1-CD2 3.64Å; L124-L185 HydrophobicContact CD1-CG 4.11Å; L124-L185 HydrophobicContact CD2-CD2 4.07Å; L124-L185 HydrophobicContact CG-CD2 4.41Å; A127-L185 HydrophobicContact CB-CD1 3.78Å; W155-L185 HydrophobicContact CB-CD2 4.4Å; W155-L185 HydrophobicContact CD2-CD2 4.44Å; W155-L185 HydrophobicContact CE3-CB 4.5Å; W155-L185 HydrophobicContact CE3-CD2 4.1Å; F158-L185 WeakPolarHBondContact CE2-O 3.33Å; L169-L185 HydrophobicContact CB-CB 4.41Å; L169-L185 HydrophobicContact CD2-CB 4.04Å; L169-L185 HydrophobicContact CD2-CD1 3.93Å; L169-L185 HydrophobicContact CG-CB 4.34Å; L169-L185 HydrophobicContact CG-CD1 4.19Å; L169-L185 PolarHBondContact O-N 3.3Å; V183-L185 HydrophobicContact CG2-CD2 4.1Å; L185-G202 PolarHBondContact O-N 3.39Å |
| 186 | I | 97.8 | Very high | 88 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.6 | 166.7 | -60.9 | 172.2 | 0 | 0 | 0 | 107.8 | I168 L169 L199 L200 F201 M211 L214 | I168-I186 HydrophobicContact CB-CB 4.13Å; I168-I186 HydrophobicContact CB-CG2 3.9Å; I168-I186 HydrophobicContact CG1-CG2 4.31Å; I168-I186 HydrophobicContact CG2-CG2 4.22Å; I168-I186 PolarHBondContact N-O 3.27Å; L169-I186 HydrophobicContact CB-CB 4.05Å; L169-I186 HydrophobicContact CB-CD1 4.13Å; L169-I186 HydrophobicContact CB-CG1 4.13Å; L169-I186 HydrophobicContact CD2-CD1 4.33Å; L169-I186 PolarHBondContact N-O 2.9Å; L169-I186 PolarHBondContact O-N 3.45Å; I186-L199 HydrophobicContact CG2-CD1 3.51Å; I186-L199 HydrophobicContact CG2-CG 4.03Å; I186-L200 CarbonylContact C-O 3.52Å; I186-L200 VanDerWaalsContact CA-O 3.25Å; I186-L200 WeakPolarHBondContact CA-O 3.39Å; I186-F201 HydrophobicContact CD1-CD1 3.64Å; I186-F201 HydrophobicContact CD1-CE1 3.4Å; I186-F201 VanDerWaalsContact CD1-CE1 3.4Å; I186-F201 HydrophobicContact CD1-CZ 4.22Å; I186-F201 HydrophobicContact CG1-CD1 3.76Å; I186-F201 HydrophobicContact CG1-CE1 3.99Å; I186-F201 HydrophobicContact CG1-CG 4.33Å; I186-F201 HydrophobicContact CG2-CE1 4.44Å; I186-F201 HydrophobicContact CG2-CZ 4.38Å; I186-M211 HydrophobicContact CD1-CE 3.55Å; I186-M211 HydrophobicContact CD1-SD 3.85Å; I186-M211 HydrophobicContact CG1-CE 3.96Å; I186-M211 HydrophobicContact CG1-SD 4.22Å; I186-L214 HydrophobicContact CD1-CB 3.8Å; I186-L214 HydrophobicContact CD1-CD1 3.58Å; I186-L214 HydrophobicContact CD1-CG 4.28Å |
| 187 | V | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | F158 L160 Y165 E166 L199 L200 | F158-V187 HydrophobicContact CB-CG2 3.59Å; F158-V187 HydrophobicContact CD1-CG2 4.37Å; F158-V187 HydrophobicContact CD2-CG2 3.65Å; F158-V187 HydrophobicContact CE2-CG2 4.43Å; F158-V187 HydrophobicContact CG-CG2 3.62Å; L160-V187 HydrophobicContact CD2-CB 4.37Å; L160-V187 HydrophobicContact CD2-CG1 3.74Å; L160-V187 HydrophobicContact CD2-CG2 3.65Å; Y165-V187 HydrophobicContact CD1-CG1 3.81Å; Y165-V187 HydrophobicContact CG-CG1 4.12Å; E166-V187 WeakPolarHBondContact O-CA 3.37Å; V187-L199 WeakPolarHBondContact O-CA 3.12Å; V187-L200 PolarHBondContact N-O 3.41Å; V187-L200 PolarHBondContact O-N 3.34Å |
| 188 | L | 98.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.8 | 166.2 | 172.7 | 66.7 | 0 | 0 | 0 | 108.7 | L135 Y165 E166 I168 R190 R198 L199 Y221 L222 | L135-L188 HydrophobicContact CD1-CB 4.34Å; L135-L188 HydrophobicContact CD1-CD1 4.14Å; L135-L188 HydrophobicContact CD1-CD2 4.11Å; L135-L188 HydrophobicContact CD1-CG 4.44Å; Y165-L188 CarbonylContact C-O 3.52Å; Y165-L188 WeakPolarHBondContact CA-O 3.4Å; E166-L188 HydrophobicContact CB-CB 4.3Å; E166-L188 PolarHBondContact N-O 3.31Å; E166-L188 PolarHBondContact O-N 3.41Å; I168-L188 HydrophobicContact CD1-CB 3.83Å; I168-L188 HydrophobicContact CD1-CD2 4.45Å; I168-L188 HydrophobicContact CG1-CB 3.87Å; L188-R190 HydrophobicContact CD2-CG 4.45Å; L188-R190 HydrophobicContact CG-CG 4.44Å; L188-R198 CarbonylContact C-O 3.55Å; L188-R198 WeakPolarHBondContact CA-O 3.4Å; L188-L199 HydrophobicContact CB-CD1 4.26Å; L188-Y221 HydrophobicContact CD1-CD1 4.3Å; L188-Y221 HydrophobicContact CD1-CE1 4.11Å; L188-Y221 HydrophobicContact CD2-CD1 4.28Å; L188-Y221 HydrophobicContact CD2-CE1 3.63Å; L188-L222 HydrophobicContact CD1-CD2 3.93Å |
| 189 | D | 98.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.1 | 163.1 | -178.1 | 6.2 | 0 | 0 | 0 | 108.9 | T164 Y165 G191 R197 R198 | T164-D189 WeakPolarHBondContact CG2-OD1 3.49Å; T164-D189 PolarHBondContact OG1-OD1 3.07Å; Y165-D189 HydrophobicContact CD1-CB 3.85Å; Y165-D189 HydrophobicContact CE1-CB 3.73Å; D189-G191 PolarHBondContact O-N 2.98Å; D189-G191 PolarHBondContact OD1-N 3.06Å; D189-R197 CarbonylContact O-C 3.6Å; D189-R197 WeakPolarHBondContact O-CA 3.49Å; D189-R198 HydrophobicContact CB-CB 3.88Å; D189-R198 HydrophobicContact CB-CG 4.23Å; D189-R198 PolarHBondContact N-O 3.21Å; D189-R198 PolarHBondContact O-N 3.4Å; D189-R198 IonicContact OD2-CZ 3.88Å; D189-R198 IonicContact OD2-NH1 2.87Å; D189-R198 PolarHBondContact OD2-NH1 2.88Å |
| 190 | R | 97.6 | Very high | 95.1 | Very high | 115 Ų | 115 | 33.6 Ų | 33.6 | 43% | 0.434 | 18% | 0.175 | S | C | . | . | trans | -73.3 | -3.1 | 178 | -65 | 174.1 | 176.2 | -177.7 | -0.1 | 113.1 | T164 E166 L188 Q192 | T164-R190 WeakPolarHBondContact O-CB 3.49Å; T164-R190 WeakPolarHBondContact O-CG 3.48Å; T164-R190 PolarHBondContact O-N 2.87Å; E166-R190 IonicContact OE2-CZ 2.81Å; E166-R190 IonicContact OE2-NE 2.96Å; E166-R190 PolarHBondContact OE2-NE 3.38Å; E166-R190 IonicContact OE2-NH2 3.45Å; E166-R190 PolarHBondContact OE2-NH2 3.36Å; L188-R190 HydrophobicContact CD2-CG 4.45Å; L188-R190 HydrophobicContact CG-CG 4.44Å; R190-Q192 VanDerWaalsContact C-N 3.32Å; R190-Q192 HydrophobicContact CB-CG 4.18Å; R190-Q192 PolarHBondContact O-N 2.91Å | ||
| 191 | G | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 15% | 0.148 | C | C | . | . | trans | 72.5 | 21.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | T164 D189 L193 G195 V196 | T164-G191 PolarHBondContact OG1-N 2.83Å; D189-G191 PolarHBondContact O-N 2.98Å; D189-G191 PolarHBondContact OD1-N 3.06Å; G191-L193 PolarHBondContact O-N 3.45Å; G191-G195 WeakPolarHBondContact O-CA 3.37Å; G191-G195 PolarHBondContact O-N 2.8Å; G191-V196 WeakPolarHBondContact CA-O 3.23Å | ||
| 192 | Q | 97.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 27.2 Ų | 27.2 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.7 | -177.7 | -62.1 | 176.9 | -14.4 | 0 | 0 | 113.1 | T164 R190 | T164-Q192 WeakPolarHBondContact OG1-CB 3.49Å; T164-Q192 PolarHBondContact OG1-N 3.13Å; R190-Q192 VanDerWaalsContact C-N 3.32Å; R190-Q192 HydrophobicContact CB-CG 4.18Å; R190-Q192 PolarHBondContact O-N 2.91Å |
| 193 | L | 95.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 23.4 Ų | 23.4 | 42% | 0.424 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -39.6 | -178.3 | -69.6 | 171.2 | 0 | 0 | 0 | 113.3 | P115 T164 G191 | P115-L193 VanDerWaalsContact CD-CD1 3.4Å; P115-L193 HydrophobicContact CG-CD1 3.41Å; P115-L193 VanDerWaalsContact CG-CD1 3.41Å; T164-L193 HydrophobicContact CG2-CD1 4.01Å; T164-L193 HydrophobicContact CG2-CG 4.29Å; G191-L193 PolarHBondContact O-N 3.45Å |
| 194 | D | 94.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 0.6 | -170.4 | 63.5 | 3.9 | 0 | 0 | 0 | 114.6 | R88 V196 R198 | R88-D194 VanDerWaalsContact CD-O 3.27Å; R88-D194 WeakPolarHBondContact CD-O 3.35Å; R88-D194 PolarHBondContact NH1-O 2.88Å; D194-V196 PolarHBondContact OD1-N 3.25Å; D194-V196 VanDerWaalsContact OD1-N 3.07Å; D194-R198 IonicContact OD1-CZ 2.89Å; D194-R198 IonicContact OD1-NH1 3.84Å; D194-R198 PolarHBondContact OD1-NH1 2.82Å; D194-R198 IonicContact OD1-NH2 2.7Å; D194-R198 IonicContact OD2-CZ 3.12Å; D194-R198 VanDerWaalsContact OD2-CZ 3.26Å; D194-R198 IonicContact OD2-NH1 2.76Å; D194-R198 PolarHBondContact OD2-NH1 3.01Å; D194-R198 IonicContact OD2-NH2 2.61Å; D194-R198 PolarHBondContact OD2-NH2 3.17Å |
| 195 | G | 95.9 | Very high | 96.7 | Very high | 48 Ų | 48 | 25.4 Ų | 25.4 | 50% | 0.495 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 82.7 | 6.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G191 | G191-G195 WeakPolarHBondContact O-CA 3.37Å; G191-G195 PolarHBondContact O-N 2.8Å |
| 196 | V | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -113.9 | 116.9 | -176.9 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | C87 R88 I94 G191 D194 R198 | C87-V196 HydrophobicContact CB-CB 4.38Å; C87-V196 HydrophobicContact CB-CG1 3.89Å; C87-V196 HydrophobicContact CB-CG2 3.69Å; R88-V196 HydrophobicContact CG-CG2 4.28Å; I94-V196 HydrophobicContact CD1-CG1 3.88Å; I94-V196 HydrophobicContact CG1-CG1 4.08Å; G191-V196 WeakPolarHBondContact CA-O 3.23Å; D194-V196 PolarHBondContact OD1-N 3.25Å; D194-V196 VanDerWaalsContact OD1-N 3.07Å; V196-R198 HydrophobicContact CG1-CG 4.35Å; V196-R198 PolarHBondContact O-NH1 2.91Å | ||
| 197 | R | 98 | Very high | 95.8 | Very high | 63 Ų | 63 | 30.5 Ų | 30.5 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | trans | -76.9 | 138.4 | 176 | -65.5 | -176.7 | -65 | 171 | 2 | 110.9 | I94 D189 L222 N224 | I94-R197 PolarHBondContact N-O 3.1Å; D189-R197 CarbonylContact O-C 3.6Å; D189-R197 WeakPolarHBondContact O-CA 3.49Å; R197-L222 HydrophobicContact CB-CD2 3.8Å; R197-L222 PolarHBondContact NH2-O 2.92Å; R197-N224 PolarHBondContact NH1-OD1 3.2Å; R197-N224 VanDerWaalsContact NH1-OD1 3.07Å | ||
| 198 | R | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145.9 | -178.6 | -41.9 | -179.4 | 169 | 75.7 | 2.1 | 112.7 | Y69 Y72 I94 L188 D189 D194 V196 L200 | Y69-R198 VanDerWaalsContact OH-CD 3.23Å; Y69-R198 WeakPolarHBondContact OH-CD 3.16Å; Y69-R198 PolarHBondContact OH-NE 2.87Å; Y72-R198 PolarHBondContact OH-NH2 2.82Å; Y72-R198 VanDerWaalsContact OH-NH2 3.12Å; I94-R198 HydrophobicContact CB-CB 4.49Å; I94-R198 HydrophobicContact CB-CG 4.2Å; I94-R198 CarbonylContact O-C 3.49Å; I94-R198 WeakPolarHBondContact O-CA 3.28Å; L188-R198 CarbonylContact C-O 3.55Å; L188-R198 WeakPolarHBondContact CA-O 3.4Å; D189-R198 HydrophobicContact CB-CB 3.88Å; D189-R198 HydrophobicContact CB-CG 4.23Å; D189-R198 PolarHBondContact N-O 3.21Å; D189-R198 PolarHBondContact O-N 3.4Å; D189-R198 IonicContact OD2-CZ 3.88Å; D189-R198 IonicContact OD2-NH1 2.87Å; D189-R198 PolarHBondContact OD2-NH1 2.88Å; D194-R198 IonicContact OD1-CZ 2.89Å; D194-R198 IonicContact OD1-NH1 3.84Å; D194-R198 PolarHBondContact OD1-NH1 2.82Å; D194-R198 IonicContact OD1-NH2 2.7Å; D194-R198 IonicContact OD2-CZ 3.12Å; D194-R198 VanDerWaalsContact OD2-CZ 3.26Å; D194-R198 IonicContact OD2-NH1 2.76Å; D194-R198 PolarHBondContact OD2-NH1 3.01Å; D194-R198 IonicContact OD2-NH2 2.61Å; D194-R198 PolarHBondContact OD2-NH2 3.17Å; V196-R198 HydrophobicContact CG1-CG 4.35Å; V196-R198 PolarHBondContact O-NH1 2.91Å; R198-L200 HydrophobicContact CB-CD2 4.04Å; R198-L200 HydrophobicContact CB-CG 4.37Å |
| 199 | L | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118 | 163.4 | -173.1 | 67.1 | 0 | 0 | 0 | 108.9 | I94 V95 A96 L135 I168 I186 V187 L188 F201 G218 L222 | I94-L199 PolarHBondContact O-N 3.24Å; V95-L199 WeakPolarHBondContact CA-O 3.16Å; V95-L199 HydrophobicContact CG2-CB 4.35Å; A96-L199 PolarHBondContact N-O 3.45Å; L135-L199 HydrophobicContact CD1-CD1 3.92Å; L135-L199 HydrophobicContact CD1-CD2 4.4Å; I168-L199 HydrophobicContact CG1-CD1 4.14Å; I186-L199 HydrophobicContact CG2-CD1 3.51Å; I186-L199 HydrophobicContact CG2-CG 4.03Å; V187-L199 WeakPolarHBondContact O-CA 3.12Å; L188-L199 HydrophobicContact CB-CD1 4.26Å; L199-F201 HydrophobicContact CB-CE2 4.44Å; L199-F201 HydrophobicContact CD2-CE2 3.52Å; L199-F201 HydrophobicContact CD2-CZ 3.75Å; L199-F201 HydrophobicContact CG-CD2 4.33Å; L199-F201 HydrophobicContact CG-CE2 3.61Å; L199-F201 HydrophobicContact CG-CZ 4.2Å; L199-G218 VanDerWaalsContact CD2-CA 3.42Å; L199-L222 HydrophobicContact CB-CD1 3.78Å |
| 200 | L | 98.6 | Very high | 95 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.5 | -172.1 | -54.6 | 179.7 | 0 | 0 | 0 | 109.5 | Y69 A96 F98 L116 F158 I186 V187 R198 | Y69-L200 HydrophobicContact CE1-CD2 4.28Å; Y69-L200 HydrophobicContact CE2-CD2 4.36Å; A96-L200 HydrophobicContact CB-CD2 4.09Å; A96-L200 CarbonylContact O-C 3.55Å; A96-L200 WeakPolarHBondContact O-CA 3.4Å; F98-L200 HydrophobicContact CE2-CB 4.19Å; F98-L200 HydrophobicContact CE2-CD1 4.22Å; F98-L200 HydrophobicContact CE2-CD2 4.22Å; F98-L200 HydrophobicContact CE2-CG 4.43Å; L116-L200 HydrophobicContact CD2-CD1 3.69Å; F158-L200 HydrophobicContact CE1-CB 4.26Å; F158-L200 HydrophobicContact CZ-CB 4.04Å; I186-L200 CarbonylContact C-O 3.52Å; I186-L200 VanDerWaalsContact CA-O 3.25Å; I186-L200 WeakPolarHBondContact CA-O 3.39Å; V187-L200 PolarHBondContact N-O 3.41Å; V187-L200 PolarHBondContact O-N 3.34Å; R198-L200 HydrophobicContact CB-CD2 4.04Å; R198-L200 HydrophobicContact CB-CG 4.37Å |
| 201 | F | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.7 | 178.5 | -72.8 | -103.1 | 0 | 0 | 0 | 110.3 | V95 A96 F97 F98 I186 L199 N203 M211 F215 | V95-F201 HydrophobicContact CG1-CD2 4.12Å; V95-F201 HydrophobicContact CG1-CE2 3.78Å; A96-F201 PolarHBondContact O-N 3.07Å; F97-F201 HydrophobicContact CD1-CB 3.42Å; F97-F201 VanDerWaalsContact CD1-CB 3.42Å; F97-F201 HydrophobicContact CD1-CD1 4.46Å; F97-F201 HydrophobicContact CD1-CD2 4.39Å; F97-F201 AromaticContact CD1-CG 3.87Å; F97-F201 HydrophobicContact CD1-CG 3.87Å; F97-F201 HydrophobicContact CE1-CB 3.68Å; F97-F201 AromaticContact CE1-CD1 3.86Å; F97-F201 HydrophobicContact CE1-CD1 3.86Å; F97-F201 AromaticContact CE1-CD2 4Å; F97-F201 HydrophobicContact CE1-CD2 4Å; F97-F201 AromaticContact CE1-CG 3.57Å; F97-F201 HydrophobicContact CE1-CG 3.57Å; F97-F201 HydrophobicContact CG-CB 4.06Å; F97-F201 HydrophobicContact CZ-CD1 4.47Å; F97-F201 HydrophobicContact CZ-CD2 4.05Å; F97-F201 HydrophobicContact CZ-CE2 4.44Å; F97-F201 HydrophobicContact CZ-CG 4.1Å; F98-F201 PolarHBondContact N-O 2.7Å; I186-F201 HydrophobicContact CD1-CD1 3.64Å; I186-F201 HydrophobicContact CD1-CE1 3.4Å; I186-F201 VanDerWaalsContact CD1-CE1 3.4Å; I186-F201 HydrophobicContact CD1-CZ 4.22Å; I186-F201 HydrophobicContact CG1-CD1 3.76Å; I186-F201 HydrophobicContact CG1-CE1 3.99Å; I186-F201 HydrophobicContact CG1-CG 4.33Å; I186-F201 HydrophobicContact CG2-CE1 4.44Å; I186-F201 HydrophobicContact CG2-CZ 4.38Å; L199-F201 HydrophobicContact CB-CE2 4.44Å; L199-F201 HydrophobicContact CD2-CE2 3.52Å; L199-F201 HydrophobicContact CD2-CZ 3.75Å; L199-F201 HydrophobicContact CG-CD2 4.33Å; L199-F201 HydrophobicContact CG-CE2 3.61Å; L199-F201 HydrophobicContact CG-CZ 4.2Å; F201-N203 VanDerWaalsContact C-N 3.27Å; F201-N203 PolarHBondContact O-N 2.85Å; F201-M211 HydrophobicContact CD1-SD 3.75Å; F201-M211 HydrophobicContact CE1-SD 4.29Å; F201-F215 HydrophobicContact CE1-CB 4.3Å; F201-F215 HydrophobicContact CE2-CD2 4.3Å; F201-F215 HydrophobicContact CZ-CB 3.92Å; F201-F215 HydrophobicContact CZ-CD2 4.3Å |
| 202 | G | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.8 | 4.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V156 L185 | V156-G202 WeakPolarHBondContact CB-O 3.21Å; V156-G202 PolarHBondContact N-O 3.39Å; V156-G202 VanDerWaalsContact O-CA 3.24Å; V156-G202 WeakPolarHBondContact O-CA 3.08Å; L185-G202 PolarHBondContact O-N 3.39Å |
| 203 | N | 93.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -165.6 | 173 | 174.7 | -146.4 | -23.6 | 0 | 0 | 0 | 111.2 | F97 T153 A154 W155 F201 S207 | F97-N203 VanDerWaalsContact CD1-O 3.29Å; F97-N203 WeakPolarHBondContact CD1-O 3.43Å; T153-N203 WeakPolarHBondContact CG2-ND2 3.35Å; A154-N203 PolarHBondContact O-ND2 2.92Å; A154-N203 VanDerWaalsContact O-ND2 3.08Å; W155-N203 HydrophobicContact CD2-CB 4.28Å; W155-N203 HydrophobicContact CE3-CB 3.56Å; W155-N203 HydrophobicContact CH2-CB 4.17Å; W155-N203 HydrophobicContact CZ3-CB 3.49Å; W155-N203 VanDerWaalsContact CZ3-CB 3.49Å; F201-N203 VanDerWaalsContact C-N 3.27Å; F201-N203 PolarHBondContact O-N 2.85Å; N203-S207 WeakPolarHBondContact ND2-CB 3.43Å; N203-S207 PolarHBondContact ND2-OG 3.33Å; N203-S207 PolarHBondContact OD1-OG 2.8Å; N203-S207 VanDerWaalsContact OD1-OG 3.04Å |
| 204 | D | 93 | Very high | 95.1 | Very high | 51 Ų | 51 | 18.8 Ų | 18.8 | 27% | 0.273 | 12% | 0.115 | S | C | . | . | trans | -84.1 | -177.2 | 177.1 | 74.9 | 11.8 | 0 | 0 | 0 | 113.9 | L26 A206 S207 | L26-D204 HydrophobicContact CD1-CB 4.42Å; L26-D204 HydrophobicContact CD2-CB 4.21Å; D204-A206 PolarHBondContact OD1-N 2.85Å; D204-S207 WeakPolarHBondContact OD1-CB 3.43Å; D204-S207 PolarHBondContact OD1-N 3.19Å; D204-S207 PolarHBondContact OD1-OG 2.86Å | ||
| 205 | F | 94.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -80.3 | -17 | 179.6 | -65.2 | -23.5 | 0 | 0 | 0 | 115.1 | L26 Q29 I30 I33 F97 M211 K212 F215 | L26-F205 HydrophobicContact CD1-CB 4.34Å; L26-F205 HydrophobicContact CD1-CD1 4.33Å; L26-F205 HydrophobicContact CD1-CD2 3.48Å; L26-F205 VanDerWaalsContact CD1-CD2 3.48Å; L26-F205 HydrophobicContact CD1-CE2 3.78Å; L26-F205 HydrophobicContact CD1-CG 3.79Å; L26-F205 HydrophobicContact CD1-CZ 4.32Å; Q29-F205 HydrophobicContact CB-CD2 3.82Å; Q29-F205 HydrophobicContact CB-CE2 4.45Å; I30-F205 HydrophobicContact CG1-CE2 3.63Å; I30-F205 HydrophobicContact CG1-CZ 4.16Å; I33-F205 HydrophobicContact CD1-CD2 4.24Å; I33-F205 HydrophobicContact CD1-CE2 3.62Å; I33-F205 HydrophobicContact CD1-CZ 4.13Å; F97-F205 HydrophobicContact CE1-CD1 4.04Å; F97-F205 AromaticContact CE1-CE1 3.6Å; F97-F205 HydrophobicContact CE1-CE1 3.6Å; F97-F205 HydrophobicContact CE1-CZ 4.12Å; F97-F205 HydrophobicContact CZ-CD1 4.33Å; F97-F205 AromaticContact CZ-CE1 3.5Å; F97-F205 HydrophobicContact CZ-CE1 3.5Å; F97-F205 VanDerWaalsContact CZ-CE1 3.5Å; F97-F205 HydrophobicContact CZ-CE2 4.47Å; F97-F205 AromaticContact CZ-CZ 3.58Å; F97-F205 HydrophobicContact CZ-CZ 3.58Å; F205-M211 HydrophobicContact CD1-CB 3.8Å; F205-M211 HydrophobicContact CE1-CB 4.46Å; F205-K212 HydrophobicContact CB-CD 4.32Å; F205-K212 HydrophobicContact CB-CG 3.69Å; F205-K212 HydrophobicContact CD1-CG 3.8Å; F205-K212 HydrophobicContact CD2-CG 3.8Å; F205-K212 HydrophobicContact CE1-CG 4.34Å; F205-K212 HydrophobicContact CE2-CG 4.34Å; F205-K212 HydrophobicContact CG-CD 4.46Å; F205-K212 HydrophobicContact CG-CG 3.49Å; F205-K212 VanDerWaalsContact CG-CG 3.49Å; F205-F215 HydrophobicContact CE1-CB 3.69Å; F205-F215 HydrophobicContact CE1-CD1 4.5Å; F205-F215 HydrophobicContact CE1-CD2 4.28Å; F205-F215 AromaticContact CE1-CG 3.94Å; F205-F215 HydrophobicContact CE1-CG 3.94Å; F205-F215 HydrophobicContact CE2-CD1 4.45Å; F205-F215 HydrophobicContact CZ-CB 3.74Å; F205-F215 AromaticContact CZ-CD1 3.69Å; F205-F215 HydrophobicContact CZ-CD1 3.69Å; F205-F215 AromaticContact CZ-CD2 3.79Å; F205-F215 HydrophobicContact CZ-CD2 3.79Å; F205-F215 HydrophobicContact CZ-CE1 4.17Å; F205-F215 HydrophobicContact CZ-CE2 4.27Å; F205-F215 AromaticContact CZ-CG 3.47Å; F205-F215 HydrophobicContact CZ-CG 3.47Å; F205-F215 VanDerWaalsContact CZ-CG 3.47Å; F205-F215 HydrophobicContact CZ-CZ 4.44Å |
| 206 | A | 88.7 | Confident | 95.3 | Very high | 71 Ų | 71 | 14.9 Ų | 14.9 | 59% | 0.587 | 8% | 0.083 | S | C | * | . | S | Bend | trans | -79.4 | -29.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | D204 | D204-A206 PolarHBondContact OD1-N 2.85Š|
| 207 | S | 85.4 | Confident | 95.4 | Very high | 35 Ų | 35 | 14.9 Ų | 14.9 | 25% | 0.245 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -72.6 | -30.4 | -173.9 | -63.4 | 0 | 0 | 0 | 0 | 114.5 | N203 D204 | N203-S207 WeakPolarHBondContact ND2-CB 3.43Å; N203-S207 PolarHBondContact ND2-OG 3.33Å; N203-S207 PolarHBondContact OD1-OG 2.8Å; N203-S207 VanDerWaalsContact OD1-OG 3.04Å; D204-S207 WeakPolarHBondContact OD1-CB 3.43Å; D204-S207 PolarHBondContact OD1-N 3.19Å; D204-S207 PolarHBondContact OD1-OG 2.86Å |
| 208 | F | 91.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | trans | -159.8 | 117.4 | -173.6 | -175.7 | -129 | 0 | 0 | 0 | 110.7 | F145 Q148 I149 W155 L169 P210 M211 | F145-F208 HydrophobicContact CB-CE2 4.1Å; F145-F208 HydrophobicContact CB-CZ 3.51Å; F145-F208 HydrophobicContact CD1-CZ 4.17Å; F145-F208 HydrophobicContact CD2-CZ 4.32Å; F145-F208 AromaticContact CG-CZ 3.77Å; F145-F208 HydrophobicContact CG-CZ 3.77Å; Q148-F208 HydrophobicContact CB-CE2 4.16Å; I149-F208 HydrophobicContact CG1-CD2 4.14Å; I149-F208 HydrophobicContact CG1-CE2 3.58Å; I149-F208 HydrophobicContact CG1-CZ 4.03Å; W155-F208 HydrophobicContact CH2-CB 3.49Å; W155-F208 VanDerWaalsContact CH2-CB 3.49Å; W155-F208 AromaticContact CH2-CD1 3.73Å; W155-F208 HydrophobicContact CH2-CD1 3.73Å; W155-F208 AromaticContact CH2-CG 3.83Å; W155-F208 HydrophobicContact CH2-CG 3.83Å; W155-F208 HydrophobicContact CZ2-CB 3.66Å; W155-F208 HydrophobicContact CZ2-CD1 4.25Å; W155-F208 AromaticContact CZ2-CG 3.99Å; W155-F208 HydrophobicContact CZ2-CG 3.99Å; L169-F208 HydrophobicContact CD2-CD1 4.42Å; L169-F208 HydrophobicContact CD2-CE1 3.96Å; F208-P210 VanDerWaalsContact C-CD 3.43Å; F208-P210 HydrophobicContact CD1-CB 4.22Å; F208-P210 HydrophobicContact CD1-CG 4.04Å; F208-P210 HydrophobicContact CD2-CG 4.36Å; F208-P210 HydrophobicContact CE1-CB 3.83Å; F208-P210 HydrophobicContact CE1-CG 3.55Å; F208-P210 HydrophobicContact CE2-CG 3.89Å; F208-P210 HydrophobicContact CG-CG 4.43Å; F208-P210 HydrophobicContact CZ-CB 4.25Å; F208-P210 HydrophobicContact CZ-CG 3.48Å; F208-P210 VanDerWaalsContact CZ-CG 3.48Å; F208-M211 HydrophobicContact CB-CG 4Å; F208-M211 HydrophobicContact CD1-CE 3.62Å; F208-M211 HydrophobicContact CD1-CG 4.11Å; F208-M211 HydrophobicContact CE1-CE 4.21Å; F208-M211 VanDerWaalsContact O-CB 3.27Å; F208-M211 WeakPolarHBondContact O-CB 3.23Å; F208-M211 WeakPolarHBondContact O-CG 3.23Å; F208-M211 PolarHBondContact O-N 2.96Å; F208-M211 VanDerWaalsContact O-N 3.13Å | ||
| 209 | W | 92.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 11.9 Ų | 11.9 | 12% | 0.117 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -45.5 | -170.6 | 71.3 | -97.1 | 0 | 0 | 0 | 113.4 | F145 M211 K212 L213 G443 F447 Y448 F481 W485 | F145-W209 HydrophobicContact CD1-CH2 4.46Å; F145-W209 HydrophobicContact CD1-CZ2 4.04Å; F145-W209 AromaticContact CE1-CH2 3.92Å; F145-W209 HydrophobicContact CE1-CH2 3.92Å; F145-W209 AromaticContact CE1-CZ2 3.96Å; F145-W209 HydrophobicContact CE1-CZ2 3.96Å; W209-M211 PolarHBondContact O-N 3.44Å; W209-K212 PolarHBondContact O-N 3Å; W209-L213 HydrophobicContact CZ3-CD2 4.49Å; W209-G443 WeakPolarHBondContact CB-O 3.33Å; W209-F447 HydrophobicContact CE3-CD1 4.35Å; W209-F447 AromaticContact CE3-CE1 3.79Å; W209-F447 HydrophobicContact CE3-CE1 3.79Å; W209-F447 HydrophobicContact CE3-CZ 4.41Å; W209-F447 HydrophobicContact CH2-CZ 4.47Å; W209-F447 HydrophobicContact CZ3-CD1 4.43Å; W209-F447 AromaticContact CZ3-CE1 3.55Å; W209-F447 HydrophobicContact CZ3-CE1 3.55Å; W209-F447 AromaticContact CZ3-CZ 3.73Å; W209-F447 HydrophobicContact CZ3-CZ 3.73Å; W209-Y448 PolarHBondContact O-OH 3.04Å; W209-F481 HydrophobicContact CH2-CE1 4.03Å; W209-F481 AromaticContact CH2-CZ 4Å; W209-F481 HydrophobicContact CH2-CZ 4Å; W209-F481 HydrophobicContact CZ2-CE1 4.13Å; W209-F481 AromaticContact CZ2-CZ 3.63Å; W209-F481 HydrophobicContact CZ2-CZ 3.63Å; W209-F481 HydrophobicContact CZ3-CE1 4.36Å; W209-W485 HydrophobicContact CH2-CB 3.89Å; W209-W485 AromaticContact CH2-CD2 3.87Å; W209-W485 HydrophobicContact CH2-CD2 3.87Å; W209-W485 HydrophobicContact CH2-CE3 4.17Å; W209-W485 AromaticContact CH2-CG 3.71Å; W209-W485 HydrophobicContact CH2-CG 3.71Å; W209-W485 AromaticContact CZ2-CD2 3.93Å; W209-W485 HydrophobicContact CZ2-CD2 3.93Å; W209-W485 HydrophobicContact CZ2-CE3 4.18Å; W209-W485 HydrophobicContact CZ2-CG 4.15Å |
| 210 | P | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.3 | -18.3 | -176.2 | -25 | 37.1 | 0 | 0 | 0 | 114.9 | F145 F208 K212 L213 L214 | F145-P210 HydrophobicContact CD1-CB 4.23Å; F145-P210 HydrophobicContact CD1-CG 3.43Å; F145-P210 VanDerWaalsContact CD1-CG 3.43Å; F145-P210 HydrophobicContact CE1-CB 3.77Å; F145-P210 HydrophobicContact CE1-CG 3.39Å; F145-P210 HydrophobicContact CG-CG 4.18Å; F145-P210 HydrophobicContact CZ-CB 4.01Å; F145-P210 HydrophobicContact CZ-CG 4.11Å; F208-P210 VanDerWaalsContact C-CD 3.43Å; F208-P210 HydrophobicContact CD1-CB 4.22Å; F208-P210 HydrophobicContact CD1-CG 4.04Å; F208-P210 HydrophobicContact CD2-CG 4.36Å; F208-P210 HydrophobicContact CE1-CB 3.83Å; F208-P210 HydrophobicContact CE1-CG 3.55Å; F208-P210 HydrophobicContact CE2-CG 3.89Å; F208-P210 HydrophobicContact CG-CG 4.43Å; F208-P210 HydrophobicContact CZ-CB 4.25Å; F208-P210 HydrophobicContact CZ-CG 3.48Å; F208-P210 VanDerWaalsContact CZ-CG 3.48Å; P210-K212 VanDerWaalsContact C-N 3.26Å; P210-K212 PolarHBondContact O-N 3.45Å; P210-L213 WeakPolarHBondContact O-CB 3.37Å; P210-L213 PolarHBondContact O-N 3.44Å; P210-L214 HydrophobicContact CB-CD1 4.38Å; P210-L214 WeakPolarHBondContact O-CG 3.49Å; P210-L214 PolarHBondContact O-N 2.84Å |
| 211 | M | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -53.1 | -41.3 | 177.6 | -67.3 | -74.1 | 122.3 | 0 | 0 | 112.5 | W155 L169 I186 F201 F205 F208 W209 L213 F215 | W155-M211 HydrophobicContact CH2-CE 3.87Å; W155-M211 HydrophobicContact CH2-SD 4.43Å; W155-M211 HydrophobicContact CZ3-CE 3.8Å; W155-M211 HydrophobicContact CZ3-SD 4.22Å; L169-M211 HydrophobicContact CD2-CE 3.23Å; I186-M211 HydrophobicContact CD1-CE 3.55Å; I186-M211 HydrophobicContact CD1-SD 3.85Å; I186-M211 HydrophobicContact CG1-CE 3.96Å; I186-M211 HydrophobicContact CG1-SD 4.22Å; F201-M211 HydrophobicContact CD1-SD 3.75Å; F201-M211 HydrophobicContact CE1-SD 4.29Å; F205-M211 HydrophobicContact CD1-CB 3.8Å; F205-M211 HydrophobicContact CE1-CB 4.46Å; F208-M211 HydrophobicContact CB-CG 4Å; F208-M211 HydrophobicContact CD1-CE 3.62Å; F208-M211 HydrophobicContact CD1-CG 4.11Å; F208-M211 HydrophobicContact CE1-CE 4.21Å; F208-M211 VanDerWaalsContact O-CB 3.27Å; F208-M211 WeakPolarHBondContact O-CB 3.23Å; F208-M211 WeakPolarHBondContact O-CG 3.23Å; F208-M211 PolarHBondContact O-N 2.96Å; F208-M211 VanDerWaalsContact O-N 3.13Å; W209-M211 PolarHBondContact O-N 3.44Å; M211-L213 VanDerWaalsContact C-N 3.35Å; M211-L213 PolarHBondContact O-N 3.49Å; M211-F215 VanDerWaalsContact O-CB 3.26Å; M211-F215 WeakPolarHBondContact O-CB 3.32Å; M211-F215 PolarHBondContact O-N 3.07Å |
| 212 | K | 97 | Very high | 95.4 | Very high | 33 Ų | 33 | 16.4 Ų | 16.4 | 14% | 0.143 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.9 | -33.5 | 177.6 | -66.8 | 178.2 | -168.3 | 167.3 | 0 | 112.6 | I33 F205 W209 P210 L216 Y448 F452 | I33-K212 HydrophobicContact CD1-CB 4.32Å; I33-K212 HydrophobicContact CD1-CG 4.18Å; F205-K212 HydrophobicContact CB-CD 4.32Å; F205-K212 HydrophobicContact CB-CG 3.69Å; F205-K212 HydrophobicContact CD1-CG 3.8Å; F205-K212 HydrophobicContact CD2-CG 3.8Å; F205-K212 HydrophobicContact CE1-CG 4.34Å; F205-K212 HydrophobicContact CE2-CG 4.34Å; F205-K212 HydrophobicContact CG-CD 4.46Å; F205-K212 HydrophobicContact CG-CG 3.49Å; F205-K212 VanDerWaalsContact CG-CG 3.49Å; W209-K212 PolarHBondContact O-N 3Å; P210-K212 VanDerWaalsContact C-N 3.26Å; P210-K212 PolarHBondContact O-N 3.45Å; K212-L216 PolarHBondContact O-N 3.47Å; K212-Y448 HydrophobicContact CB-CD1 4.34Å; K212-Y448 HydrophobicContact CB-CE1 3.59Å; K212-Y448 HydrophobicContact CB-CE2 4.24Å; K212-Y448 HydrophobicContact CD-CD2 4.09Å; K212-Y448 HydrophobicContact CD-CE1 4.39Å; K212-Y448 HydrophobicContact CD-CE2 3.85Å; K212-Y448 HydrophobicContact CD-CG 4.48Å; K212-F452 HydrophobicContact CB-CZ 4.33Å |
| 213 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.1 | -44.8 | 178 | -174.6 | 67.5 | 0 | 0 | 0 | 110.5 | T139 W209 P210 M211 F215 L216 D217 F447 Y448 V451 T486 | T139-L213 HydrophobicContact CG2-CD2 4.08Å; T139-L213 WeakPolarHBondContact OG1-CD2 3.37Å; T139-L213 VanDerWaalsContact OG1-CG 3.25Å; T139-L213 WeakPolarHBondContact OG1-CG 3.48Å; W209-L213 HydrophobicContact CZ3-CD2 4.49Å; P210-L213 WeakPolarHBondContact O-CB 3.37Å; P210-L213 PolarHBondContact O-N 3.44Å; M211-L213 VanDerWaalsContact C-N 3.35Å; M211-L213 PolarHBondContact O-N 3.49Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.17Å; L213-L216 WeakPolarHBondContact O-CB 3.43Å; L213-L216 PolarHBondContact O-N 2.9Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L213-D217 PolarHBondContact O-N 2.62Å; L213-D217 VanDerWaalsContact O-N 3.09Å; L213-F447 HydrophobicContact CD2-CZ 4.46Å; L213-Y448 HydrophobicContact CB-CE1 4.43Å; L213-V451 HydrophobicContact CD1-CG1 3.64Å; L213-V451 HydrophobicContact CD1-CG2 4.06Å; L213-T486 HydrophobicContact CD1-CG2 4.47Å; L213-T486 HydrophobicContact CD2-CG2 4.1Å |
| 214 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.9 | -30.2 | 176.2 | -67.7 | 166.2 | 0 | 0 | 0 | 112.3 | L136 T139 I168 L169 I186 P210 D217 G218 | L136-L214 HydrophobicContact CD2-CD2 3.34Å; T139-L214 HydrophobicContact CG2-CD2 4.12Å; I168-L214 HydrophobicContact CG2-CD2 4.26Å; L169-L214 HydrophobicContact CB-CD1 4.28Å; L169-L214 HydrophobicContact CD1-CD1 4.11Å; L169-L214 HydrophobicContact CD2-CD1 4.21Å; L169-L214 HydrophobicContact CG-CD1 4.45Å; I186-L214 HydrophobicContact CD1-CB 3.8Å; I186-L214 HydrophobicContact CD1-CD1 3.58Å; I186-L214 HydrophobicContact CD1-CG 4.28Å; P210-L214 HydrophobicContact CB-CD1 4.38Å; P210-L214 WeakPolarHBondContact O-CG 3.49Å; P210-L214 PolarHBondContact O-N 2.84Å; L214-D217 PolarHBondContact O-N 3.2Å; L214-G218 PolarHBondContact O-N 3.44Å |
| 215 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 168.6 | 176.1 | -103.8 | 0 | 0 | 0 | 111.8 | I30 I33 I65 V95 F97 F201 F205 M211 L213 D217 G218 L219 | I30-F215 HydrophobicContact CG1-CZ 4.4Å; I30-F215 HydrophobicContact CG2-CZ 4.03Å; I33-F215 HydrophobicContact CB-CE1 4.35Å; I33-F215 HydrophobicContact CD1-CD1 3.99Å; I33-F215 HydrophobicContact CD1-CE1 4.18Å; I33-F215 HydrophobicContact CG2-CD1 4.15Å; I33-F215 HydrophobicContact CG2-CE1 3.9Å; I65-F215 HydrophobicContact CD1-CE2 4.13Å; I65-F215 HydrophobicContact CD1-CZ 3.82Å; V95-F215 HydrophobicContact CG1-CD2 3.93Å; V95-F215 HydrophobicContact CG1-CE2 3.77Å; F97-F215 HydrophobicContact CE2-CD2 4.5Å; F97-F215 HydrophobicContact CE2-CE2 4.38Å; F97-F215 HydrophobicContact CZ-CD2 4.04Å; F97-F215 HydrophobicContact CZ-CE2 4.33Å; F201-F215 HydrophobicContact CE1-CB 4.3Å; F201-F215 HydrophobicContact CE2-CD2 4.3Å; F201-F215 HydrophobicContact CZ-CB 3.92Å; F201-F215 HydrophobicContact CZ-CD2 4.3Å; F205-F215 HydrophobicContact CE1-CB 3.69Å; F205-F215 HydrophobicContact CE1-CD1 4.5Å; F205-F215 HydrophobicContact CE1-CD2 4.28Å; F205-F215 AromaticContact CE1-CG 3.94Å; F205-F215 HydrophobicContact CE1-CG 3.94Å; F205-F215 HydrophobicContact CE2-CD1 4.45Å; F205-F215 HydrophobicContact CZ-CB 3.74Å; F205-F215 AromaticContact CZ-CD1 3.69Å; F205-F215 HydrophobicContact CZ-CD1 3.69Å; F205-F215 AromaticContact CZ-CD2 3.79Å; F205-F215 HydrophobicContact CZ-CD2 3.79Å; F205-F215 HydrophobicContact CZ-CE1 4.17Å; F205-F215 HydrophobicContact CZ-CE2 4.27Å; F205-F215 AromaticContact CZ-CG 3.47Å; F205-F215 HydrophobicContact CZ-CG 3.47Å; F205-F215 VanDerWaalsContact CZ-CG 3.47Å; F205-F215 HydrophobicContact CZ-CZ 4.44Å; M211-F215 VanDerWaalsContact O-CB 3.26Å; M211-F215 WeakPolarHBondContact O-CB 3.32Å; M211-F215 PolarHBondContact O-N 3.07Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.17Å; F215-D217 PolarHBondContact O-N 2.95Å; F215-G218 WeakPolarHBondContact O-CA 3.31Å; F215-G218 PolarHBondContact O-N 3.49Å; F215-G218 VanDerWaalsContact O-N 3.15Å; F215-L219 HydrophobicContact CD1-CD1 4.07Å; F215-L219 HydrophobicContact CD1-CG 4.26Å; F215-L219 HydrophobicContact CE1-CD1 3.55Å; F215-L219 HydrophobicContact CE1-CD2 4.24Å; F215-L219 HydrophobicContact CE1-CG 3.97Å; F215-L219 HydrophobicContact CE2-CD2 4.03Å; F215-L219 HydrophobicContact CE2-CG 4.4Å; F215-L219 HydrophobicContact CZ-CD1 3.94Å; F215-L219 HydrophobicContact CZ-CD2 3.8Å; F215-L219 HydrophobicContact CZ-CG 4.04Å; F215-L219 WeakPolarHBondContact O-CG 3.38Å; F215-L219 PolarHBondContact O-N 2.89Å |
| 216 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 175.5 | -178.8 | 64.4 | 0 | 0 | 0 | 112.3 | L37 Y138 K212 L213 G218 L219 R220 V451 F452 | L37-L216 HydrophobicContact CD1-CD1 3.93Å; L37-L216 HydrophobicContact CD2-CD1 3.55Å; L37-L216 HydrophobicContact CG-CD1 4.33Å; Y138-L216 HydrophobicContact CD1-CD2 4.41Å; Y138-L216 HydrophobicContact CD2-CB 4.36Å; Y138-L216 HydrophobicContact CD2-CD2 3.8Å; Y138-L216 HydrophobicContact CD2-CG 3.65Å; Y138-L216 HydrophobicContact CE2-CD1 4.33Å; Y138-L216 HydrophobicContact CE2-CD2 3.98Å; Y138-L216 HydrophobicContact CE2-CG 3.61Å; Y138-L216 HydrophobicContact CG-CD2 4.04Å; Y138-L216 HydrophobicContact CG-CG 4.39Å; K212-L216 PolarHBondContact O-N 3.47Å; L213-L216 WeakPolarHBondContact O-CB 3.43Å; L213-L216 PolarHBondContact O-N 2.9Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L216-G218 VanDerWaalsContact C-N 3.31Å; L216-G218 PolarHBondContact O-N 3.25Å; L216-L219 PolarHBondContact O-N 3.34Å; L216-R220 PolarHBondContact O-N 2.89Å; L216-R220 VanDerWaalsContact O-N 3.16Å; L216-V451 HydrophobicContact CD2-CG1 3.69Å; L216-F452 HydrophobicContact CB-CE1 4.45Å; L216-F452 HydrophobicContact CD2-CD1 4.18Å; L216-F452 HydrophobicContact CD2-CE1 4.19Å |
| 217 | D | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 172.2 | -79.5 | -54.8 | 0 | 0 | 0 | 112 | L135 Y137 Y138 T139 L213 L214 F215 R220 Y221 | L135-D217 HydrophobicContact CD2-CB 3.72Å; Y137-D217 WeakPolarHBondContact CA-OD1 3.37Å; Y137-D217 WeakPolarHBondContact CB-OD1 3.4Å; Y137-D217 PolarHBondContact N-OD1 3.21Å; Y138-D217 WeakPolarHBondContact CD2-OD1 3.32Å; Y138-D217 PolarHBondContact N-OD1 2.96Å; T139-D217 VanDerWaalsContact CB-OD2 3.23Å; T139-D217 WeakPolarHBondContact CB-OD2 3.23Å; T139-D217 PolarHBondContact N-OD2 2.91Å; T139-D217 VanDerWaalsContact N-OD2 3.09Å; T139-D217 PolarHBondContact OG1-OD2 3.24Å; L213-D217 PolarHBondContact O-N 2.62Å; L213-D217 VanDerWaalsContact O-N 3.09Å; L214-D217 PolarHBondContact O-N 3.2Å; F215-D217 PolarHBondContact O-N 2.95Å; D217-R220 PolarHBondContact O-N 3.32Å; D217-Y221 WeakPolarHBondContact O-CB 3.45Å; D217-Y221 PolarHBondContact O-N 3.08Å |
| 218 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L199 L214 F215 L216 R220 Y221 L222 | L199-G218 VanDerWaalsContact CD2-CA 3.42Å; L214-G218 PolarHBondContact O-N 3.44Å; F215-G218 WeakPolarHBondContact O-CA 3.31Å; F215-G218 PolarHBondContact O-N 3.49Å; F215-G218 VanDerWaalsContact O-N 3.15Å; L216-G218 VanDerWaalsContact C-N 3.31Å; L216-G218 PolarHBondContact O-N 3.25Å; G218-R220 PolarHBondContact O-N 3.07Å; G218-Y221 PolarHBondContact O-N 3.4Å; G218-L222 WeakPolarHBondContact O-CB 3.3Å; G218-L222 WeakPolarHBondContact O-CG 3.32Å; G218-L222 PolarHBondContact O-N 2.89Å |
| 219 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 177.6 | -67.8 | -174 | 0 | 0 | 0 | 110.7 | L34 L37 M63 I65 F215 L216 T223 I227 | L34-L219 HydrophobicContact CD2-CD1 4.33Å; L37-L219 HydrophobicContact CD1-CD1 3.44Å; L37-L219 VanDerWaalsContact CD1-CD1 3.44Å; M63-L219 HydrophobicContact CE-CD2 3.8Å; M63-L219 HydrophobicContact SD-CD2 3.25Å; M63-L219 WeakPolarHBondContact SD-CD2 3.46Å; I65-L219 HydrophobicContact CD1-CD2 4.21Å; F215-L219 HydrophobicContact CD1-CD1 4.07Å; F215-L219 HydrophobicContact CD1-CG 4.26Å; F215-L219 HydrophobicContact CE1-CD1 3.55Å; F215-L219 HydrophobicContact CE1-CD2 4.24Å; F215-L219 HydrophobicContact CE1-CG 3.97Å; F215-L219 HydrophobicContact CE2-CD2 4.03Å; F215-L219 HydrophobicContact CE2-CG 4.4Å; F215-L219 HydrophobicContact CZ-CD1 3.94Å; F215-L219 HydrophobicContact CZ-CD2 3.8Å; F215-L219 HydrophobicContact CZ-CG 4.04Å; F215-L219 WeakPolarHBondContact O-CG 3.38Å; F215-L219 PolarHBondContact O-N 2.89Å; L216-L219 PolarHBondContact O-N 3.34Å; L219-T223 WeakPolarHBondContact O-CB 3.43Å; L219-T223 VanDerWaalsContact O-CG2 3.26Å; L219-T223 WeakPolarHBondContact O-CG2 3.34Å; L219-T223 PolarHBondContact O-N 3.17Å; L219-T223 VanDerWaalsContact O-N 3.17Å; L219-T223 PolarHBondContact O-OG1 3.21Å; L219-I227 HydrophobicContact CB-CG2 4.04Å; L219-I227 HydrophobicContact CD1-CG2 4.21Å |
| 220 | R | 98 | Very high | 96.8 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 13% | 0.128 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57 | -54.7 | 176.8 | 176.2 | -162.2 | 166.2 | -97 | -19.8 | 111.6 | Y137 Y138 L216 D217 G218 T223 N224 D225 I227 | Y137-R220 VanDerWaalsContact CB-NH1 3.3Å; Y137-R220 VanDerWaalsContact CD1-CD 3.41Å; Y137-R220 VanDerWaalsContact CD2-CZ 3.43Å; Y138-R220 HydrophobicContact CE2-CB 4.09Å; L216-R220 PolarHBondContact O-N 2.89Å; L216-R220 VanDerWaalsContact O-N 3.16Å; D217-R220 PolarHBondContact O-N 3.32Å; G218-R220 PolarHBondContact O-N 3.07Å; R220-T223 PolarHBondContact O-N 3.06Å; R220-T223 PolarHBondContact O-OG1 2.93Å; R220-N224 PolarHBondContact O-N 3.29Å; R220-D225 WeakPolarHBondContact CG-OD1 3.32Å; R220-D225 IonicContact CZ-OD1 2.76Å; R220-D225 IonicContact NE-OD1 2.67Å; R220-D225 PolarHBondContact NE-OD1 3.12Å; R220-D225 IonicContact NH2-OD1 3.73Å; R220-D225 PolarHBondContact NH2-OD1 3.1Å; R220-D225 IonicContact NH2-OD2 2.75Å; R220-D225 PolarHBondContact NH2-OD2 3.1Å; R220-D225 PolarHBondContact O-N 2.68Å; R220-I227 WeakPolarHBondContact CA-O 3.31Å; R220-I227 PolarHBondContact N-O 2.91Å |
| 221 | Y | 98.2 | Very high | 97 | Very high | 64 Ų | 64 | 26.1 Ų | 26.1 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.9 | -47.4 | -173 | -177.8 | -92.8 | 0 | 0 | 0 | 112.1 | R134 L135 L188 D217 G218 T223 N224 | R134-Y221 HydrophobicContact CB-CE2 4.28Å; L135-Y221 HydrophobicContact CB-CD1 4.39Å; L135-Y221 HydrophobicContact CB-CD2 4.1Å; L135-Y221 HydrophobicContact CB-CG 4Å; L135-Y221 HydrophobicContact CD1-CD1 4.02Å; L135-Y221 HydrophobicContact CD1-CG 4.21Å; L135-Y221 HydrophobicContact CG-CD1 4.33Å; L135-Y221 HydrophobicContact CG-CG 4.01Å; L188-Y221 HydrophobicContact CD1-CD1 4.3Å; L188-Y221 HydrophobicContact CD1-CE1 4.11Å; L188-Y221 HydrophobicContact CD2-CD1 4.28Å; L188-Y221 HydrophobicContact CD2-CE1 3.63Å; D217-Y221 WeakPolarHBondContact O-CB 3.45Å; D217-Y221 PolarHBondContact O-N 3.08Å; G218-Y221 PolarHBondContact O-N 3.4Å; Y221-T223 VanDerWaalsContact C-N 3.28Å; Y221-T223 PolarHBondContact O-N 2.99Å; Y221-N224 PolarHBondContact O-N 2.83Å |
| 222 | L | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -25.8 | -177.3 | -70.7 | 178.2 | 0 | 0 | 0 | 113.1 | M63 S93 V95 L188 R197 L199 G218 | M63-L222 HydrophobicContact CE-CB 3.71Å; M63-L222 HydrophobicContact CE-CD1 4.15Å; S93-L222 PolarHBondContact OG-O 3.01Å; V95-L222 HydrophobicContact CG2-CD1 3.64Å; L188-L222 HydrophobicContact CD1-CD2 3.93Å; R197-L222 HydrophobicContact CB-CD2 3.8Å; R197-L222 PolarHBondContact NH2-O 2.92Å; L199-L222 HydrophobicContact CB-CD1 3.78Å; G218-L222 WeakPolarHBondContact O-CB 3.3Å; G218-L222 WeakPolarHBondContact O-CG 3.32Å; G218-L222 PolarHBondContact O-N 2.89Å |
| 223 | T | 95.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 3.9 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 114 | L62 M63 L219 R220 Y221 R226 I227 | L62-T223 HydrophobicContact CD2-CG2 3.76Å; L62-T223 HydrophobicContact CG-CG2 3.88Å; M63-T223 HydrophobicContact CE-CG2 3.56Å; L219-T223 WeakPolarHBondContact O-CB 3.43Å; L219-T223 VanDerWaalsContact O-CG2 3.26Å; L219-T223 WeakPolarHBondContact O-CG2 3.34Å; L219-T223 PolarHBondContact O-N 3.17Å; L219-T223 VanDerWaalsContact O-N 3.17Å; L219-T223 PolarHBondContact O-OG1 3.21Å; R220-T223 PolarHBondContact O-N 3.06Å; R220-T223 PolarHBondContact O-OG1 2.93Å; Y221-T223 VanDerWaalsContact C-N 3.28Å; Y221-T223 PolarHBondContact O-N 2.99Å; T223-R226 WeakPolarHBondContact O-CB 3.37Å; T223-R226 WeakPolarHBondContact O-CG 3.49Å; T223-R226 PolarHBondContact O-N 2.65Å; T223-I227 HydrophobicContact CG2-CB 4.18Å; T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 3.95Å; T223-I227 PolarHBondContact OG1-N 3.28Å |
| 224 | N | 94.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 28.2 Ų | 28.2 | 54% | 0.54 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 55.2 | -173.6 | -52.6 | -29.8 | 0 | 0 | 0 | 110.6 | R197 R220 Y221 R226 | R197-N224 PolarHBondContact NH1-OD1 3.2Å; R197-N224 VanDerWaalsContact NH1-OD1 3.07Å; R220-N224 PolarHBondContact O-N 3.29Å; Y221-N224 PolarHBondContact O-N 2.83Å; N224-R226 PolarHBondContact O-N 3.15Å; N224-R226 VanDerWaalsContact O-N 3.11Å |
| 225 | D | 95.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 28.3 Ų | 28.3 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 1.2 | 179.4 | -59.3 | -67.7 | 0 | 0 | 0 | 116.2 | R220 I227 S228 | R220-D225 WeakPolarHBondContact CG-OD1 3.32Å; R220-D225 IonicContact CZ-OD1 2.76Å; R220-D225 IonicContact NE-OD1 2.67Å; R220-D225 PolarHBondContact NE-OD1 3.12Å; R220-D225 IonicContact NH2-OD1 3.73Å; R220-D225 PolarHBondContact NH2-OD1 3.1Å; R220-D225 IonicContact NH2-OD2 2.75Å; R220-D225 PolarHBondContact NH2-OD2 3.1Å; R220-D225 PolarHBondContact O-N 2.68Å; D225-I227 VanDerWaalsContact C-N 3.3Å; D225-I227 PolarHBondContact O-N 2.83Å; D225-S228 WeakPolarHBondContact O-CB 3.42Å; D225-S228 PolarHBondContact O-OG 3.01Å |
| 226 | R | 94 | Very high | 97.4 | Very high | 88 Ų | 88 | 28.4 Ų | 28.4 | 33% | 0.332 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -66.2 | -29.2 | 176.1 | -71.4 | -163.2 | -83.2 | 178.9 | -16.4 | 114 | C11 L62 T223 N224 | C11-R226 PolarHBondContact O-NH1 3.27Å; L62-R226 HydrophobicContact CD2-CB 3.82Å; T223-R226 WeakPolarHBondContact O-CB 3.37Å; T223-R226 WeakPolarHBondContact O-CG 3.49Å; T223-R226 PolarHBondContact O-N 2.65Å; N224-R226 PolarHBondContact O-N 3.15Å; N224-R226 VanDerWaalsContact O-N 3.11Å |
| 227 | I | 96 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -112.4 | 89.8 | 167.5 | -59.6 | 179.9 | 0 | 0 | 0 | 107.1 | T13 V15 L37 V39 L219 R220 T223 D225 | T13-I227 HydrophobicContact CG2-CG1 4.18Å; V15-I227 HydrophobicContact CG2-CD1 3.71Å; L37-I227 HydrophobicContact CD1-CG2 3.84Å; V39-I227 HydrophobicContact CG1-CD1 3.88Å; V39-I227 HydrophobicContact CG1-CG1 4.43Å; V39-I227 HydrophobicContact CG2-CB 4.31Å; V39-I227 HydrophobicContact CG2-CD1 4.04Å; V39-I227 HydrophobicContact CG2-CG1 3.86Å; V39-I227 HydrophobicContact CG2-CG2 3.69Å; L219-I227 HydrophobicContact CB-CG2 4.04Å; L219-I227 HydrophobicContact CD1-CG2 4.21Å; R220-I227 WeakPolarHBondContact CA-O 3.31Å; R220-I227 PolarHBondContact N-O 2.91Å; T223-I227 HydrophobicContact CG2-CB 4.18Å; T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 3.95Å; T223-I227 PolarHBondContact OG1-N 3.28Å; D225-I227 VanDerWaalsContact C-N 3.3Å; D225-I227 PolarHBondContact O-N 2.83Å |
| 228 | S | 95.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 28.4 Ų | 28.4 | 36% | 0.364 | 14% | 0.144 | S | C | . | . | trans | -146.7 | 153.4 | -178.5 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | D225 | D225-S228 WeakPolarHBondContact O-CB 3.42Å; D225-S228 PolarHBondContact O-OG 3.01Å | ||
| 229 | L | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -108 | 149.9 | 165.7 | -62.5 | 177.3 | 0 | 0 | 0 | 109.5 | L37 Y138 F452 P454 | L37-L229 HydrophobicContact CD2-CD1 3.58Å; L37-L229 HydrophobicContact CD2-CD2 3.86Å; L37-L229 HydrophobicContact CD2-CG 3.49Å; L37-L229 VanDerWaalsContact CD2-CG 3.49Å; Y138-L229 HydrophobicContact CE1-CB 4.36Å; Y138-L229 WeakPolarHBondContact CE1-O 3.37Å; Y138-L229 PolarHBondContact OH-N 2.88Å; Y138-L229 PolarHBondContact OH-O 3.35Å; L229-F452 VanDerWaalsContact CD1-O 3.3Å; L229-F452 WeakPolarHBondContact CD1-O 3.37Å; L229-P454 HydrophobicContact CB-CG 4.49Å; L229-P454 HydrophobicContact CD2-CG 3.85Å | ||
| 230 | P | 97.2 | Very high | 97.2 | Very high | 48 Ų | 48 | 28.8 Ų | 28.8 | 31% | 0.312 | 15% | 0.145 | S | C | . | . | trans | -58.8 | 167.5 | 169 | 26.7 | -34.6 | 0 | 0 | 0 | 110.8 | R233 P454 | P230-R233 PolarHBondContact O-NH1 2.88Å; P230-R233 PolarHBondContact O-NH2 2.8Å; P230-P454 HydrophobicContact CG-CB 4.03Å; P230-P454 HydrophobicContact CG-CG 4.13Å | ||
| 231 | L | 98.5 | Very high | 97 | Very high | 37 Ų | 37 | 28 Ų | 28 | 19% | 0.194 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -83.8 | -26.5 | 172.1 | -71 | 176.5 | 0 | 0 | 0 | 113 | Y137 Y138 T487 L488 K489 | Y137-L231 HydrophobicContact CD1-CD2 3.81Å; Y137-L231 HydrophobicContact CD1-CG 4.4Å; Y137-L231 HydrophobicContact CE1-CD1 4.1Å; Y137-L231 HydrophobicContact CE1-CD2 3.43Å; Y137-L231 VanDerWaalsContact CE1-CD2 3.43Å; Y137-L231 HydrophobicContact CE1-CG 3.56Å; Y137-L231 HydrophobicContact CE2-CD1 4.19Å; Y138-L231 HydrophobicContact CD1-CD2 3.8Å; Y138-L231 HydrophobicContact CE1-CD2 4.1Å; L231-T487 WeakPolarHBondContact CD2-OG1 3.45Å; L231-L488 HydrophobicContact CD2-CD2 4.23Å; L231-L488 WeakPolarHBondContact O-CA 3.3Å; L231-K489 PolarHBondContact O-N 3.35Å |
| 232 | T | 98.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 23% | 0.227 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 137.1 | 177.7 | -55 | 0 | 0 | 0 | 0 | 110.2 | Y234 K489 E491 | T232-Y234 HydrophobicContact CG2-CD1 4.33Å; T232-Y234 HydrophobicContact CG2-CE1 3.9Å; T232-Y234 HydrophobicContact CG2-CE2 4.41Å; T232-K489 CarbonylContact C-O 3.37Å; T232-K489 WeakPolarHBondContact CA-O 3.44Å; T232-E491 HydrophobicContact CG2-CB 4.39Å |
| 233 | R | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.3 | 172.6 | -59.2 | -71.2 | 173.1 | -80.8 | 2.6 | 107.4 | P230 F450 V451 N453 P454 L456 L488 K489 L490 E491 | P230-R233 PolarHBondContact O-NH1 2.88Å; P230-R233 PolarHBondContact O-NH2 2.8Å; R233-F450 WeakPolarHBondContact CD-O 3.4Å; R233-F450 PolarHBondContact NE-O 3.48Å; R233-V451 PolarHBondContact NE-O 3.05Å; R233-V451 PolarHBondContact NH2-O 3.44Å; R233-N453 WeakPolarHBondContact CD-O 3.17Å; R233-P454 CarbonylContact C-O 3.27Å; R233-P454 WeakPolarHBondContact CA-O 3.19Å; R233-L456 HydrophobicContact CB-CD1 3.91Å; R233-L488 HydrophobicContact CG-CB 4.45Å; R233-L488 HydrophobicContact CG-CD1 4.29Å; R233-K489 PolarHBondContact N-O 3.39Å; R233-L490 HydrophobicContact CB-CD2 3.57Å; R233-L490 HydrophobicContact CG-CD2 3.91Å; R233-L490 WeakPolarHBondContact O-CA 3.5Å; R233-E491 PolarHBondContact O-N 3.5Å |
| 234 | Y | 98.8 | Very high | 96.7 | Very high | 41 Ų | 41 | 26.2 Ų | 26.2 | 16% | 0.161 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.2 | 175.7 | -59.8 | -71.4 | 0 | 0 | 0 | 109.7 | T232 P454 F455 L456 E491 I493 L498 Q501 | T232-Y234 HydrophobicContact CG2-CD1 4.33Å; T232-Y234 HydrophobicContact CG2-CE1 3.9Å; T232-Y234 HydrophobicContact CG2-CE2 4.41Å; Y234-P454 PolarHBondContact N-O 3.3Å; Y234-F455 AromaticContact CD2-CD1 3.8Å; Y234-F455 HydrophobicContact CD2-CD1 3.8Å; Y234-F455 AromaticContact CD2-CE1 3.59Å; Y234-F455 HydrophobicContact CD2-CE1 3.59Å; Y234-F455 HydrophobicContact CD2-CZ 4.33Å; Y234-F455 AromaticContact CE2-CE1 3.98Å; Y234-F455 HydrophobicContact CE2-CE1 3.98Å; Y234-F455 HydrophobicContact CE2-CZ 4.43Å; Y234-L456 WeakPolarHBondContact O-CA 3.28Å; Y234-L456 WeakPolarHBondContact O-CB 3.45Å; Y234-L456 PolarHBondContact O-N 2.06Å; Y234-E491 CarbonylContact C-O 3.54Å; Y234-E491 WeakPolarHBondContact CA-O 3.28Å; Y234-E491 HydrophobicContact CD1-CB 4.48Å; Y234-I493 HydrophobicContact CD1-CD1 3.6Å; Y234-I493 HydrophobicContact CD1-CG1 3.84Å; Y234-I493 HydrophobicContact CD1-CG2 4.22Å; Y234-I493 HydrophobicContact CE1-CD1 3.71Å; Y234-I493 HydrophobicContact CE1-CG1 4.34Å; Y234-I493 HydrophobicContact CE1-CG2 4.25Å; Y234-I493 HydrophobicContact CG-CD1 4.19Å; Y234-I493 HydrophobicContact CG-CG1 4.48Å; Y234-L498 HydrophobicContact CD2-CD1 4.35Å; Y234-L498 HydrophobicContact CG-CD1 3.88Å; Y234-Q501 HydrophobicContact CE2-CB 4.49Å |
| 235 | L | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.4 | -177.2 | 179.9 | 65.2 | 0 | 0 | 0 | 110.6 | V237 M266 V270 F273 F450 L456 F458 E491 T492 | L235-V237 HydrophobicContact CD1-CG2 3.95Å; L235-V237 HydrophobicContact CD2-CG2 4.34Å; L235-V237 HydrophobicContact CG-CG2 4.08Å; L235-M266 HydrophobicContact CD2-CE 4.2Å; L235-V270 HydrophobicContact CB-CG1 4.32Å; L235-V270 HydrophobicContact CD2-CG1 4.18Å; L235-V270 HydrophobicContact CD2-CG2 3.97Å; L235-F273 HydrophobicContact CD2-CD2 4.21Å; L235-F273 HydrophobicContact CD2-CE2 3.92Å; L235-F273 HydrophobicContact CG-CE2 4.39Å; L235-F450 HydrophobicContact CD1-CE1 4.01Å; L235-F450 HydrophobicContact CD1-CZ 3.91Å; L235-F450 HydrophobicContact CD2-CE1 4.2Å; L235-F450 HydrophobicContact CD2-CZ 4.39Å; L235-L456 HydrophobicContact CD1-CB 3.9Å; L235-L456 HydrophobicContact CD1-CD1 4.45Å; L235-F458 HydrophobicContact CD1-CD2 3.74Å; L235-F458 HydrophobicContact CD1-CE2 4.08Å; L235-E491 PolarHBondContact N-O 3.2Å; L235-T492 WeakPolarHBondContact O-CB 2.95Å; L235-T492 PolarHBondContact O-OG1 3.41Å |
| 236 | Q | 98.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.6 | 165.9 | -178.6 | 177.2 | -51.2 | 0 | 0 | 108.1 | D238 Y359 L456 F458 L498 | Q236-D238 WeakPolarHBondContact CG-OD1 3.02Å; Q236-D238 PolarHBondContact NE2-OD1 3.25Å; Q236-D238 PolarHBondContact NE2-OD2 3.05Å; Q236-Y359 PolarHBondContact NE2-OH 2.95Å; Q236-L456 PolarHBondContact N-O 2.81Å; Q236-L456 VanDerWaalsContact O-O 3.06Å; Q236-F458 PolarHBondContact O-N 3.02Å; Q236-L498 HydrophobicContact CB-CD2 4.16Å |
| 237 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 107.5 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | L235 F273 Y275 N276 Y465 F475 | L235-V237 HydrophobicContact CD1-CG2 3.95Å; L235-V237 HydrophobicContact CD2-CG2 4.34Å; L235-V237 HydrophobicContact CG-CG2 4.08Å; V237-F273 HydrophobicContact CB-CE2 4.49Å; V237-F273 HydrophobicContact CB-CZ 4.42Å; V237-F273 HydrophobicContact CG2-CE2 3.99Å; V237-F273 HydrophobicContact CG2-CZ 4.2Å; V237-Y275 HydrophobicContact CB-CD1 4.07Å; V237-Y275 HydrophobicContact CB-CE1 4.28Å; V237-Y275 HydrophobicContact CG1-CD1 3.98Å; V237-Y275 HydrophobicContact CG1-CE1 3.98Å; V237-N276 PolarHBondContact O-N 3.07Å; V237-N276 VanDerWaalsContact O-N 3.11Å; V237-Y465 VanDerWaalsContact CG1-OH 3.28Å; V237-Y465 WeakPolarHBondContact CG1-OH 3.45Å; V237-F475 HydrophobicContact CG1-CD2 4.33Å; V237-F475 HydrophobicContact CG1-CE2 3.86Å; V237-F475 HydrophobicContact CG1-CZ 4.12Å; V237-F475 HydrophobicContact CG2-CD1 4.28Å; V237-F475 HydrophobicContact CG2-CE1 4.04Å; V237-F475 HydrophobicContact CG2-CE2 4.44Å; V237-F475 HydrophobicContact CG2-CZ 4.13Å |
| 238 | D | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.8 | 178.4 | -74.1 | -2.3 | 0 | 0 | 0 | 109.5 | Q236 N276 F320 Y359 R415 F458 T460 | Q236-D238 WeakPolarHBondContact CG-OD1 3.02Å; Q236-D238 PolarHBondContact NE2-OD1 3.25Å; Q236-D238 PolarHBondContact NE2-OD2 3.05Å; D238-N276 CarbonylContact C-O 3.48Å; D238-N276 WeakPolarHBondContact CA-O 3.04Å; D238-N276 WeakPolarHBondContact OD1-CB 3.11Å; D238-N276 PolarHBondContact OD1-ND2 3.21Å; D238-F320 HydrophobicContact CB-CE1 3.94Å; D238-F320 HydrophobicContact CB-CZ 3.9Å; D238-Y359 VanDerWaalsContact OD2-CE1 3.29Å; D238-Y359 WeakPolarHBondContact OD2-CE1 3.47Å; D238-Y359 VanDerWaalsContact OD2-CZ 3.31Å; D238-Y359 PolarHBondContact OD2-OH 3.35Å; D238-R415 IonicContact OD2-CZ 2.93Å; D238-R415 IonicContact OD2-NH1 3.19Å; D238-R415 PolarHBondContact OD2-NH1 3.35Å; D238-R415 IonicContact OD2-NH2 3.35Å; D238-F458 PolarHBondContact N-O 3.03Å; D238-T460 PolarHBondContact O-N 2.96Å; D238-T460 PolarHBondContact O-OG1 3Å |
| 239 | I | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 94.1 | 172.9 | -49.7 | -177 | 0 | 0 | 0 | 107.5 | I242 L259 Y275 N276 L277 G278 Y465 | I239-I242 HydrophobicContact CB-CD1 4.4Å; I239-I242 HydrophobicContact CG2-CD1 3.74Å; I239-L259 HydrophobicContact CD1-CD1 3.89Å; I239-L259 HydrophobicContact CD1-CD2 4.02Å; I239-Y275 HydrophobicContact CD1-CD1 3.81Å; I239-Y275 HydrophobicContact CD1-CE1 4.44Å; I239-Y275 HydrophobicContact CD1-CG 3.97Å; I239-Y275 HydrophobicContact CG1-CD1 4.22Å; I239-N276 PolarHBondContact N-O 3.28Å; I239-L277 HydrophobicContact CB-CD1 4.42Å; I239-L277 HydrophobicContact CD1-CD1 4.04Å; I239-L277 HydrophobicContact CG1-CD1 4.39Å; I239-G278 PolarHBondContact O-N 2.66Å; I239-Y465 HydrophobicContact CB-CE2 4.17Å; I239-Y465 HydrophobicContact CD1-CD1 4.34Å; I239-Y465 HydrophobicContact CD1-CD2 3.9Å; I239-Y465 HydrophobicContact CD1-CE1 4.01Å; I239-Y465 HydrophobicContact CD1-CE2 3.55Å; I239-Y465 HydrophobicContact CD1-CG 4.27Å; I239-Y465 HydrophobicContact CG1-CD2 4.21Å; I239-Y465 HydrophobicContact CG1-CE2 3.51Å; I239-Y465 HydrophobicContact CG2-CD2 3.79Å; I239-Y465 HydrophobicContact CG2-CE2 3.74Å |
| 240 | D | 96.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 165 | 178.4 | -67.8 | -9.8 | 0 | 0 | 0 | 111.1 | I242 F320 H322 R415 T460 H461 Q462 | D240-I242 VanDerWaalsContact C-N 3.3Å; D240-I242 PolarHBondContact O-N 3.36Å; D240-F320 WeakPolarHBondContact OD1-CZ 3.34Å; D240-H322 IonicContact OD1-CE1 2.69Å; D240-H322 IonicContact OD1-NE2 3.98Å; D240-R415 IonicContact OD1-CZ 3.54Å; D240-R415 IonicContact OD1-NH2 2.74Å; D240-R415 PolarHBondContact OD1-NH2 2.82Å; D240-R415 IonicContact OD2-CZ 3.8Å; D240-R415 IonicContact OD2-NH2 3.32Å; D240-R415 PolarHBondContact OD2-NH2 2.82Å; D240-T460 WeakPolarHBondContact CB-O 3.32Å; D240-T460 PolarHBondContact N-O 3.11Å; D240-H461 CarbonylContact O-C 3.59Å; D240-H461 WeakPolarHBondContact O-CA 3.5Å; D240-Q462 PolarHBondContact O-N 3.09Å |
| 241 | D | 95.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.3 | 30.4 | 168.9 | -65.5 | -13.7 | 0 | 0 | 0 | 115.6 | F243 V244 G278 H322 H326 H461 | D241-F243 PolarHBondContact O-N 3.08Å; D241-V244 HydrophobicContact CB-CB 4.01Å; D241-V244 HydrophobicContact CB-CG2 4.15Å; D241-V244 PolarHBondContact O-N 2.59Å; D241-G278 PolarHBondContact N-O 3.4Å; D241-H322 PolarHBondContact N-NE2 3.49Å; D241-H326 VanDerWaalsContact CG-CE1 3.44Å; D241-H326 IonicContact OD1-CE1 3.27Å; D241-H326 PolarHBondContact OD1-CE1 3.08Å; D241-H326 IonicContact OD1-ND1 3.47Å; D241-H326 PolarHBondContact OD1-ND1 2.99Å; D241-H326 IonicContact OD1-NE2 3Å; D241-H326 IonicContact OD2-CE1 3.79Å; D241-H326 PolarHBondContact OD2-CE1 3.48Å; D241-H461 IonicContact OD2-CD2 2.96Å; D241-H461 PolarHBondContact OD2-CD2 2.93Å |
| 242 | I | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 128.4 | 168 | -57.9 | -64.4 | 0 | 0 | 0 | 109.3 | I239 D240 V244 M251 L277 G278 F279 C280 L298 W319 Q462 | I239-I242 HydrophobicContact CB-CD1 4.4Å; I239-I242 HydrophobicContact CG2-CD1 3.74Å; D240-I242 VanDerWaalsContact C-N 3.3Å; D240-I242 PolarHBondContact O-N 3.36Å; I242-V244 VanDerWaalsContact C-N 3.29Å; I242-V244 PolarHBondContact O-N 3.25Å; I242-M251 HydrophobicContact CD1-CE 4.06Å; I242-L277 HydrophobicContact CD1-CD2 4.24Å; I242-L277 HydrophobicContact CD1-CG 4.01Å; I242-L277 HydrophobicContact CG1-CB 3.95Å; I242-L277 HydrophobicContact CG1-CD2 4.36Å; I242-L277 HydrophobicContact CG1-CG 3.96Å; I242-G278 VanDerWaalsContact CB-O 3.3Å; I242-G278 WeakPolarHBondContact CB-O 3.49Å; I242-G278 WeakPolarHBondContact CG1-O 3.32Å; I242-G278 PolarHBondContact N-O 3.37Å; I242-F279 HydrophobicContact CB-CB 4.19Å; I242-F279 HydrophobicContact CG2-CB 4.47Å; I242-C280 PolarHBondContact O-N 2.76Å; I242-L298 HydrophobicContact CG2-CD1 4.03Å; I242-W319 HydrophobicContact CG2-CH2 4.33Å; I242-W319 HydrophobicContact CG2-CZ3 3.98Å; I242-Q462 HydrophobicContact CD1-CB 4.05Å; I242-Q462 HydrophobicContact CD1-CG 4.02Å |
| 243 | F | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -18.6 | -172.5 | -44.9 | -48.8 | 0 | 0 | 0 | 117.2 | D241 K250 F279 F283 F284 D295 L298 L299 W319 F347 | D241-F243 PolarHBondContact O-N 3.08Å; F243-K250 PolarHBondContact O-NZ 2.85Å; F243-F279 HydrophobicContact CD2-CB 4.25Å; F243-F279 HydrophobicContact CE2-CB 4.11Å; F243-F283 HydrophobicContact CB-CB 4.2Å; F243-F283 WeakPolarHBondContact O-CB 3.49Å; F243-F284 AromaticContact CD1-CD2 3.83Å; F243-F284 HydrophobicContact CD1-CD2 3.83Å; F243-F284 HydrophobicContact CD2-CB 4.25Å; F243-F284 HydrophobicContact CD2-CD2 4.26Å; F243-F284 AromaticContact CE1-CD2 3.59Å; F243-F284 HydrophobicContact CE1-CD2 3.59Å; F243-F284 HydrophobicContact CE1-CE2 4.04Å; F243-F284 HydrophobicContact CE2-CD2 4.04Å; F243-F284 HydrophobicContact CG-CB 4.23Å; F243-F284 HydrophobicContact CG-CD2 4.16Å; F243-F284 AromaticContact CZ-CD2 3.7Å; F243-F284 HydrophobicContact CZ-CD2 3.7Å; F243-F284 HydrophobicContact CZ-CE2 4.18Å; F243-D295 HydrophobicContact CD1-CB 4.16Å; F243-D295 VanDerWaalsContact CD1-CG 3.48Å; F243-D295 WeakPolarHBondContact CD1-OD1 3.31Å; F243-D295 HydrophobicContact CE1-CB 4.08Å; F243-L298 HydrophobicContact CE1-CD1 4.06Å; F243-L299 HydrophobicContact CZ-CD2 4.1Å; F243-L299 HydrophobicContact CZ-CG 4.32Å; F243-W319 HydrophobicContact CZ-CH2 4.35Å; F243-W319 HydrophobicContact CZ-CZ3 4.41Å; F243-F347 HydrophobicContact CE2-CE1 4.06Å; F243-F347 HydrophobicContact CE2-CZ 4.21Å |
| 244 | V | 93.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 25 Ų | 25 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -34.3 | -168.8 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | D241 I242 C280 F283 H326 | D241-V244 HydrophobicContact CB-CB 4.01Å; D241-V244 HydrophobicContact CB-CG2 4.15Å; D241-V244 PolarHBondContact O-N 2.59Å; I242-V244 VanDerWaalsContact C-N 3.29Å; I242-V244 PolarHBondContact O-N 3.25Å; V244-C280 HydrophobicContact CG2-CB 3.48Å; V244-C280 VanDerWaalsContact CG2-CB 3.48Å; V244-C280 VanDerWaalsContact CG2-SG 3.56Å; V244-F283 HydrophobicContact CB-CD2 4.41Å; V244-F283 HydrophobicContact CG1-CD2 4.41Å; V244-F283 HydrophobicContact CG1-CE2 4.37Å; V244-F283 HydrophobicContact CG2-CD2 3.99Å; V244-F283 HydrophobicContact CG2-CE2 4.38Å; V244-H326 HydrophobicContact CG1-CB 4.28Å; V244-H326 HydrophobicContact CG2-CB 4.38Å |
| 245 | G | 87.6 | Confident | 94.3 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 26% | 0.258 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -49.1 | 151.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | K250 | G245-K250 WeakPolarHBondContact O-CD 3.33Å; G245-K250 WeakPolarHBondContact O-CG 3.31Å |
| 246 | H | 90.7 | Very high | 94.1 | Very high | 126 Ų | 126 | 23.2 Ų | 23.2 | 58% | 0.583 | 13% | 0.128 | S | C | * | . | P | Polyproline II helix | trans | -70.8 | 158.4 | 173.7 | 60.2 | -83.2 | 0 | 0 | 0 | 110.9 | G248 S249 | H246-G248 PolarHBondContact O-N 2.96Å; H246-S249 PolarHBondContact N-OG 2.87Å; H246-S249 VanDerWaalsContact N-OG 3.08Å; H246-S249 PolarHBondContact ND1-OG 3.38Å; H246-S249 WeakPolarHBondContact O-CB 3.4Å; H246-S249 PolarHBondContact O-N 3.34Å; H246-S249 PolarHBondContact O-OG 3.21Å |
| 247 | E | 90.8 | Very high | 93.8 | Very high | 132 Ų | 132 | 24.9 Ų | 24.9 | 62% | 0.617 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.7 | 175.6 | -176.7 | 172.3 | 168.3 | 0 | 0 | 110.8 | N288 | E247-N288 HydrophobicContact CG-CB 4.3Š|
| 248 | G | 89.9 | Confident | 93.6 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.1 | -24.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H246 E291 R467 | H246-G248 PolarHBondContact O-N 2.96Å; G248-E291 WeakPolarHBondContact CA-OE1 3.22Å; G248-E291 PolarHBondContact N-OE1 2.95Å; G248-R467 PolarHBondContact O-NE 2.89Å; G248-R467 VanDerWaalsContact O-NE 3.11Å; G248-R467 PolarHBondContact O-NH2 3.33Å |
| 249 | S | 92.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -104.7 | -5.5 | -176.8 | 72.9 | 0 | 0 | 0 | 0 | 114.5 | H246 E291 A463 | H246-S249 PolarHBondContact N-OG 2.87Å; H246-S249 VanDerWaalsContact N-OG 3.08Å; H246-S249 PolarHBondContact ND1-OG 3.38Å; H246-S249 WeakPolarHBondContact O-CB 3.4Å; H246-S249 PolarHBondContact O-N 3.34Å; H246-S249 PolarHBondContact O-OG 3.21Å; S249-E291 PolarHBondContact N-OE1 3.32Å; S249-A463 WeakPolarHBondContact O-CA 3.16Å |
| 250 | K | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.9 | 155 | -179 | -56 | -176.5 | 59.3 | 173 | 0 | 111.5 | F243 G245 T252 K286 E291 D295 Q462 | F243-K250 PolarHBondContact O-NZ 2.85Å; G245-K250 WeakPolarHBondContact O-CD 3.33Å; G245-K250 WeakPolarHBondContact O-CG 3.31Å; K250-T252 PolarHBondContact O-N 3.48Å; K250-K286 WeakPolarHBondContact CD-O 3.2Å; K250-K286 PolarHBondContact NZ-O 2.84Å; K250-E291 HydrophobicContact CB-CB 3.95Å; K250-E291 HydrophobicContact CB-CG 3.77Å; K250-E291 HydrophobicContact CD-CB 4.49Å; K250-E291 PolarHBondContact N-OE1 3.23Å; K250-E291 VanDerWaalsContact N-OE1 3.15Å; K250-D295 WeakPolarHBondContact CE-OD1 3.41Å; K250-D295 VanDerWaalsContact NZ-CG 3.27Å; K250-D295 IonicContact NZ-OD1 3.82Å; K250-D295 PolarHBondContact NZ-OD1 2.99Å; K250-D295 VanDerWaalsContact NZ-OD1 3.07Å; K250-D295 IonicContact NZ-OD2 2.94Å; K250-D295 PolarHBondContact NZ-OD2 2.83Å; K250-Q462 VanDerWaalsContact CA-NE2 3.29Å |
| 251 | M | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 130.9 | 174.9 | -70.2 | -175.4 | -50.1 | 0 | 0 | 109.9 | I242 D255 V256 L259 L298 Q462 A466 | I242-M251 HydrophobicContact CD1-CE 4.06Å; M251-D255 HydrophobicContact CB-CB 3.87Å; M251-D255 HydrophobicContact CG-CB 4.04Å; M251-V256 HydrophobicContact CB-CG2 4.12Å; M251-V256 HydrophobicContact CE-CG2 4.32Å; M251-L259 HydrophobicContact CE-CD2 4.27Å; M251-L259 HydrophobicContact SD-CD2 4.13Å; M251-L298 HydrophobicContact CE-CD1 3.62Å; M251-L298 HydrophobicContact CE-CD2 3.7Å; M251-L298 HydrophobicContact CE-CG 4.12Å; M251-Q462 HydrophobicContact CE-CG 3.92Å; M251-Q462 HydrophobicContact CG-CG 3.86Å; M251-Q462 HydrophobicContact SD-CG 4.25Å; M251-A466 HydrophobicContact CG-CB 4.2Å |
| 252 | T | 94.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -82 | 171.7 | 166.5 | 64 | 0 | 0 | 0 | 0 | 110.4 | K250 D254 D255 V256 L290 | K250-T252 PolarHBondContact O-N 3.48Å; T252-D254 PolarHBondContact O-N 3.11Å; T252-D255 PolarHBondContact N-OD2 3.25Å; T252-D255 PolarHBondContact O-N 3.07Å; T252-D255 VanDerWaalsContact O-N 3.11Å; T252-D255 PolarHBondContact OG1-N 3.2Å; T252-D255 PolarHBondContact OG1-OD2 2.79Å; T252-V256 WeakPolarHBondContact O-CG2 3.43Å; T252-V256 PolarHBondContact O-N 3.37Å; T252-L290 HydrophobicContact CG2-CB 3.82Å |
| 253 | A | 91.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D255 V256 S257 Q293 M297 W303 | A253-D255 VanDerWaalsContact C-N 3.34Å; A253-D255 PolarHBondContact O-N 3.31Å; A253-V256 PolarHBondContact O-N 3.14Å; A253-S257 PolarHBondContact O-N 2.75Å; A253-S257 PolarHBondContact O-OG 3.45Å; A253-Q293 HydrophobicContact CB-CB 4.27Å; A253-M297 HydrophobicContact CB-SD 3.96Å; A253-M297 VanDerWaalsContact O-SD 3.35Å; A253-W303 HydrophobicContact CB-CD2 4.39Å; A253-W303 HydrophobicContact CB-CE3 3.89Å; A253-W303 HydrophobicContact CB-CH2 3.57Å; A253-W303 HydrophobicContact CB-CZ2 4.08Å; A253-W303 HydrophobicContact CB-CZ3 3.45Å; A253-W303 VanDerWaalsContact CB-CZ3 3.45Å |
| 254 | D | 93.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 35.3 Ų | 35.3 | 52% | 0.519 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 176 | -177 | 51.8 | 0 | 0 | 0 | 112.4 | T252 V256 S257 H258 R469 | T252-D254 PolarHBondContact O-N 3.11Å; D254-V256 VanDerWaalsContact C-N 3.34Å; D254-V256 PolarHBondContact O-N 2.86Å; D254-S257 PolarHBondContact O-N 2.96Å; D254-H258 WeakPolarHBondContact O-CB 3.33Å; D254-H258 PolarHBondContact O-N 2.72Å; D254-R469 IonicContact OD2-CZ 3.99Å; D254-R469 IonicContact OD2-NH1 3.82Å; D254-R469 IonicContact OD2-NH2 3.93Å; D254-R469 PolarHBondContact OD2-NH2 3.33Å |
| 255 | D | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 175.3 | -60.9 | -50.2 | 0 | 0 | 0 | 112 | M251 T252 A253 H258 L259 R467 R469 | M251-D255 HydrophobicContact CB-CB 3.87Å; M251-D255 HydrophobicContact CG-CB 4.04Å; T252-D255 PolarHBondContact N-OD2 3.25Å; T252-D255 PolarHBondContact O-N 3.07Å; T252-D255 VanDerWaalsContact O-N 3.11Å; T252-D255 PolarHBondContact OG1-N 3.2Å; T252-D255 PolarHBondContact OG1-OD2 2.79Å; A253-D255 VanDerWaalsContact C-N 3.34Å; A253-D255 PolarHBondContact O-N 3.31Å; D255-H258 PolarHBondContact O-N 2.82Å; D255-L259 WeakPolarHBondContact O-CB 3.28Å; D255-L259 PolarHBondContact O-N 2.85Å; D255-R467 PolarHBondContact OD1-N 2.88Å; D255-R469 IonicContact OD1-CZ 3.07Å; D255-R469 IonicContact OD1-NE 2.65Å; D255-R469 PolarHBondContact OD1-NE 2.98Å; D255-R469 IonicContact OD1-NH2 3.66Å; D255-R469 PolarHBondContact OD1-NH2 3.01Å |
| 256 | V | 93.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -44.4 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 111 | M251 T252 A253 D254 H258 L259 Q260 M297 L298 | M251-V256 HydrophobicContact CB-CG2 4.12Å; M251-V256 HydrophobicContact CE-CG2 4.32Å; T252-V256 WeakPolarHBondContact O-CG2 3.43Å; T252-V256 PolarHBondContact O-N 3.37Å; A253-V256 PolarHBondContact O-N 3.14Å; D254-V256 VanDerWaalsContact C-N 3.34Å; D254-V256 PolarHBondContact O-N 2.86Å; V256-H258 VanDerWaalsContact C-N 3.27Å; V256-H258 PolarHBondContact O-N 3.39Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 2.98Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-Q260 WeakPolarHBondContact O-CG 3.42Å; V256-Q260 PolarHBondContact O-N 2.94Å; V256-M297 HydrophobicContact CB-CB 4.43Å; V256-M297 HydrophobicContact CB-CG 4.17Å; V256-M297 HydrophobicContact CB-SD 3.88Å; V256-M297 HydrophobicContact CG1-CB 4.18Å; V256-M297 HydrophobicContact CG1-CE 4.24Å; V256-M297 HydrophobicContact CG1-CG 3.71Å; V256-M297 HydrophobicContact CG1-SD 3.95Å; V256-L298 HydrophobicContact CG1-CD2 3.93Å; V256-L298 HydrophobicContact CG1-CG 4.22Å; V256-L298 HydrophobicContact CG2-CD1 4.42Å; V256-L298 HydrophobicContact CG2-CD2 3.92Å; V256-L298 HydrophobicContact CG2-CG 3.73Å |
| 257 | S | 92.3 | Very high | 94.4 | Very high | 39 Ų | 39 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 171.5 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | A253 D254 Q260 A261 M297 | A253-S257 PolarHBondContact O-N 2.75Å; A253-S257 PolarHBondContact O-OG 3.45Å; D254-S257 PolarHBondContact O-N 2.96Å; S257-Q260 PolarHBondContact O-N 2.87Å; S257-A261 WeakPolarHBondContact O-CB 3.35Å; S257-A261 PolarHBondContact O-N 2.71Å; S257-M297 WeakPolarHBondContact OG-CE 3.41Å |
| 258 | H | 94.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 35.5 Ų | 35.5 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 176.9 | -170.4 | -87.5 | 0 | 0 | 0 | 112.6 | D254 D255 V256 A261 S262 R265 R469 | D254-H258 WeakPolarHBondContact O-CB 3.33Å; D254-H258 PolarHBondContact O-N 2.72Å; D255-H258 PolarHBondContact O-N 2.82Å; V256-H258 VanDerWaalsContact C-N 3.27Å; V256-H258 PolarHBondContact O-N 3.39Å; H258-A261 PolarHBondContact O-N 2.64Å; H258-S262 VanDerWaalsContact O-CB 3.28Å; H258-S262 WeakPolarHBondContact O-CB 3.49Å; H258-S262 PolarHBondContact O-N 3.35Å; H258-R265 PolarHBondContact CE1-NH2 3.43Å; H258-R265 VanDerWaalsContact CE1-NH2 3.29Å; H258-R265 PolarHBondContact NE2-NH2 3.31Å; H258-R469 PolarHBondContact CD2-NH1 3.15Å |
| 259 | L | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.5 | -176.2 | 65.7 | 0 | 0 | 0 | 111.3 | I239 M251 D255 V256 S262 Q263 Y275 F317 Y465 | I239-L259 HydrophobicContact CD1-CD1 3.89Å; I239-L259 HydrophobicContact CD1-CD2 4.02Å; M251-L259 HydrophobicContact CE-CD2 4.27Å; M251-L259 HydrophobicContact SD-CD2 4.13Å; D255-L259 WeakPolarHBondContact O-CB 3.28Å; D255-L259 PolarHBondContact O-N 2.85Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 2.98Å; V256-L259 VanDerWaalsContact O-N 3.15Å; L259-S262 WeakPolarHBondContact O-CB 3.37Å; L259-S262 PolarHBondContact O-N 2.76Å; L259-Q263 PolarHBondContact O-N 3.28Å; L259-Y275 HydrophobicContact CD1-CD2 3.65Å; L259-Y275 HydrophobicContact CD1-CE1 4.45Å; L259-Y275 HydrophobicContact CD1-CE2 3.46Å; L259-Y275 VanDerWaalsContact CD1-CE2 3.46Å; L259-Y275 HydrophobicContact CD1-CG 4.23Å; L259-Y275 HydrophobicContact CG-CD2 4.09Å; L259-Y275 HydrophobicContact CG-CE2 4.22Å; L259-F317 HydrophobicContact CB-CZ 4.34Å; L259-F317 HydrophobicContact CD2-CE1 4.18Å; L259-F317 HydrophobicContact CD2-CE2 4.06Å; L259-F317 HydrophobicContact CD2-CZ 3.62Å; L259-F317 HydrophobicContact CG-CE1 4.1Å; L259-F317 HydrophobicContact CG-CZ 3.72Å; L259-Y465 HydrophobicContact CD1-CD1 3.45Å; L259-Y465 VanDerWaalsContact CD1-CD1 3.45Å; L259-Y465 HydrophobicContact CD1-CE1 3.82Å; L259-Y465 HydrophobicContact CD1-CG 4.09Å |
| 260 | Q | 93.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.1 | -68.8 | 170.4 | -46.2 | 0 | 0 | 111.5 | V256 S257 S262 Q263 M264 A315 F317 | V256-Q260 WeakPolarHBondContact O-CG 3.42Å; V256-Q260 PolarHBondContact O-N 2.94Å; S257-Q260 PolarHBondContact O-N 2.87Å; Q260-S262 VanDerWaalsContact C-N 3.31Å; Q260-S262 PolarHBondContact O-N 3.23Å; Q260-Q263 WeakPolarHBondContact O-CB 3.3Å; Q260-Q263 PolarHBondContact O-N 3.28Å; Q260-M264 WeakPolarHBondContact O-CG 3.44Å; Q260-M264 PolarHBondContact O-N 2.89Å; Q260-M264 VanDerWaalsContact O-N 3.11Å; Q260-A315 HydrophobicContact CG-CB 4.05Å; Q260-A315 VanDerWaalsContact NE2-CB 3.28Å; Q260-F317 HydrophobicContact CG-CE2 4.35Å; Q260-F317 HydrophobicContact CG-CZ 3.87Å |
| 261 | A | 94.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S257 H258 M264 R265 | S257-A261 WeakPolarHBondContact O-CB 3.35Å; S257-A261 PolarHBondContact O-N 2.71Å; H258-A261 PolarHBondContact O-N 2.64Å; A261-M264 PolarHBondContact O-N 3.25Å; A261-R265 WeakPolarHBondContact O-CG 3.28Å; A261-R265 PolarHBondContact O-N 3.3Å |
| 262 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | H258 L259 Q260 M264 R265 M266 Y275 E476 | H258-S262 VanDerWaalsContact O-CB 3.28Å; H258-S262 WeakPolarHBondContact O-CB 3.49Å; H258-S262 PolarHBondContact O-N 3.35Å; L259-S262 WeakPolarHBondContact O-CB 3.37Å; L259-S262 PolarHBondContact O-N 2.76Å; Q260-S262 VanDerWaalsContact C-N 3.31Å; Q260-S262 PolarHBondContact O-N 3.23Å; S262-M264 VanDerWaalsContact C-N 3.29Å; S262-M264 PolarHBondContact O-N 3.07Å; S262-R265 PolarHBondContact O-N 3.11Å; S262-R265 VanDerWaalsContact O-N 3.12Å; S262-M266 WeakPolarHBondContact O-CB 3.41Å; S262-M266 VanDerWaalsContact O-CG 3.27Å; S262-M266 WeakPolarHBondContact O-CG 3.34Å; S262-M266 PolarHBondContact O-N 3.42Å; S262-Y275 PolarHBondContact OG-OH 3.35Å; S262-Y275 VanDerWaalsContact OG-OH 3.07Å; S262-E476 WeakPolarHBondContact CA-OE1 3.38Å; S262-E476 VanDerWaalsContact CB-OE1 3.28Å; S262-E476 WeakPolarHBondContact CB-OE1 3.39Å; S262-E476 PolarHBondContact OG-OE1 2.88Å |
| 263 | Q | 96.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | 174.2 | -179.6 | 163.9 | -76.4 | 0 | 0 | 111.6 | L259 Q260 R265 M266 R267 F273 Y275 D316 F317 | L259-Q263 PolarHBondContact O-N 3.28Å; Q260-Q263 WeakPolarHBondContact O-CB 3.3Å; Q260-Q263 PolarHBondContact O-N 3.28Å; Q263-R265 PolarHBondContact O-N 3.19Å; Q263-M266 PolarHBondContact O-N 3.06Å; Q263-R267 WeakPolarHBondContact O-CG 3.4Å; Q263-R267 PolarHBondContact O-N 3.17Å; Q263-F273 HydrophobicContact CG-CD1 4.07Å; Q263-F273 HydrophobicContact CG-CE1 4.46Å; Q263-Y275 HydrophobicContact CB-CD2 3.9Å; Q263-Y275 HydrophobicContact CB-CE2 3.97Å; Q263-Y275 HydrophobicContact CG-CD2 4.44Å; Q263-D316 PolarHBondContact NE2-O 2.85Å; Q263-F317 VanDerWaalsContact OE1-CD1 3.3Å |
| 264 | M | 95.8 | Very high | 96.1 | Very high | 109 Ų | 109 | 46.4 Ų | 46.4 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 177.2 | -66 | -55.9 | -65.6 | 0 | 0 | 113 | Q260 A261 S262 R267 | Q260-M264 WeakPolarHBondContact O-CG 3.44Å; Q260-M264 PolarHBondContact O-N 2.89Å; Q260-M264 VanDerWaalsContact O-N 3.11Å; A261-M264 PolarHBondContact O-N 3.25Å; S262-M264 VanDerWaalsContact C-N 3.29Å; S262-M264 PolarHBondContact O-N 3.07Å; M264-R267 PolarHBondContact SD-NH1 3.05Å |
| 265 | R | 97.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -40.3 | 173.4 | -70.3 | -172.6 | -60.2 | -94.9 | 3.8 | 111.9 | H258 A261 S262 Q263 R267 K268 Y269 E476 | H258-R265 PolarHBondContact CE1-NH2 3.43Å; H258-R265 VanDerWaalsContact CE1-NH2 3.29Å; H258-R265 PolarHBondContact NE2-NH2 3.31Å; A261-R265 WeakPolarHBondContact O-CG 3.28Å; A261-R265 PolarHBondContact O-N 3.3Å; S262-R265 PolarHBondContact O-N 3.11Å; S262-R265 VanDerWaalsContact O-N 3.12Å; Q263-R265 PolarHBondContact O-N 3.19Å; R265-R267 VanDerWaalsContact C-N 3.34Å; R265-R267 PolarHBondContact O-N 2.8Å; R265-K268 WeakPolarHBondContact O-CB 3.27Å; R265-K268 PolarHBondContact O-N 3.03Å; R265-Y269 WeakPolarHBondContact O-CD2 3.41Å; R265-E476 IonicContact CZ-OE1 3.87Å; R265-E476 VanDerWaalsContact CZ-OE1 3.32Å; R265-E476 IonicContact CZ-OE2 2.81Å; R265-E476 VanDerWaalsContact NE-CD 3.28Å; R265-E476 IonicContact NE-OE1 3.71Å; R265-E476 PolarHBondContact NE-OE1 3.44Å; R265-E476 VanDerWaalsContact NE-OE1 3.07Å; R265-E476 IonicContact NE-OE2 2.86Å; R265-E476 PolarHBondContact NE-OE2 3.15Å; R265-E476 IonicContact NH2-OE1 3.7Å; R265-E476 PolarHBondContact NH2-OE1 2.88Å; R265-E476 IonicContact NH2-OE2 3.73Å |
| 266 | M | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.4 | -73.3 | -67.3 | -68 | 0 | 0 | 111.8 | L235 S262 Q263 K268 Y269 V270 F273 F475 E476 V479 | L235-M266 HydrophobicContact CD2-CE 4.2Å; S262-M266 WeakPolarHBondContact O-CB 3.41Å; S262-M266 VanDerWaalsContact O-CG 3.27Å; S262-M266 WeakPolarHBondContact O-CG 3.34Å; S262-M266 PolarHBondContact O-N 3.42Å; Q263-M266 PolarHBondContact O-N 3.06Å; M266-K268 PolarHBondContact O-N 3.13Å; M266-Y269 PolarHBondContact O-N 3.42Å; M266-V270 HydrophobicContact CE-CG2 4.04Å; M266-V270 PolarHBondContact O-N 3.15Å; M266-F273 HydrophobicContact CB-CB 4.41Å; M266-F273 HydrophobicContact CB-CD1 3.29Å; M266-F273 HydrophobicContact CB-CE1 3.56Å; M266-F273 HydrophobicContact CB-CG 3.82Å; M266-F273 HydrophobicContact CB-CZ 4.28Å; M266-F273 HydrophobicContact CE-CD2 4.36Å; M266-F273 HydrophobicContact CE-CE1 4.39Å; M266-F273 HydrophobicContact CE-CE2 3.96Å; M266-F273 HydrophobicContact CE-CZ 3.98Å; M266-F273 HydrophobicContact CG-CD1 4.08Å; M266-F273 HydrophobicContact CG-CE1 3.8Å; M266-F273 HydrophobicContact CG-CZ 4.26Å; M266-F475 HydrophobicContact CE-CB 4.04Å; M266-F475 HydrophobicContact SD-CB 4.24Å; M266-E476 HydrophobicContact CG-CG 4.17Å; M266-E476 HydrophobicContact SD-CB 4.43Å; M266-E476 HydrophobicContact SD-CG 3.84Å; M266-V479 HydrophobicContact CE-CG1 3.69Å; M266-V479 HydrophobicContact CE-CG2 4.15Å; M266-V479 HydrophobicContact SD-CG1 4.35Å; M266-V479 HydrophobicContact SD-CG2 3.71Å |
| 267 | R | 97.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 32% | 0.317 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.3 | 175 | -76.8 | 176.5 | 179.1 | 176.6 | -4.6 | 114.4 | Q263 M264 R265 Y269 V270 F273 D316 | Q263-R267 WeakPolarHBondContact O-CG 3.4Å; Q263-R267 PolarHBondContact O-N 3.17Å; M264-R267 PolarHBondContact SD-NH1 3.05Å; R265-R267 VanDerWaalsContact C-N 3.34Å; R265-R267 PolarHBondContact O-N 2.8Å; R267-Y269 VanDerWaalsContact C-N 3.28Å; R267-Y269 PolarHBondContact O-N 2.92Å; R267-V270 WeakPolarHBondContact CA-O 3.3Å; R267-F273 HydrophobicContact CG-CB 3.96Å; R267-F273 WeakPolarHBondContact CG-O 3.42Å; R267-F273 PolarHBondContact NE-O 3.41Å; R267-D316 IonicContact CZ-OD2 3.94Å; R267-D316 IonicContact NH1-OD2 4Å; R267-D316 IonicContact NH2-OD2 3.85Å; R267-D316 PolarHBondContact NH2-OD2 3.23Å |
| 268 | K | 97.6 | Very high | 96.8 | Very high | 164 Ų | 164 | 39.7 Ų | 39.7 | 71% | 0.713 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.5 | 173.3 | -59.8 | -177.5 | 178.2 | -176.9 | 0 | 113.4 | R265 M266 | R265-K268 WeakPolarHBondContact O-CB 3.27Å; R265-K268 PolarHBondContact O-N 3.03Å; M266-K268 PolarHBondContact O-N 3.13Å |
| 269 | Y | 98.1 | Very high | 96.9 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -23.8 | -175 | -53.2 | -78.2 | 0 | 0 | 0 | 113 | R265 M266 R267 V479 R480 R483 | R265-Y269 WeakPolarHBondContact O-CD2 3.41Å; M266-Y269 PolarHBondContact O-N 3.42Å; R267-Y269 VanDerWaalsContact C-N 3.28Å; R267-Y269 PolarHBondContact O-N 2.92Å; Y269-V479 HydrophobicContact CD2-CG2 3.93Å; Y269-V479 HydrophobicContact CG-CG2 4.02Å; Y269-R480 HydrophobicContact CD1-CG 4.49Å; Y269-R480 HydrophobicContact CD2-CG 4.34Å; Y269-R480 HydrophobicContact CE1-CG 3.91Å; Y269-R480 HydrophobicContact CE2-CG 3.74Å; Y269-R480 VanDerWaalsContact CZ-CG 3.5Å; Y269-R480 PolarHBondContact OH-NE 3.42Å; Y269-R483 HydrophobicContact CD1-CB 4.19Å; Y269-R483 HydrophobicContact CD1-CG 4.19Å |
| 270 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 113 | -178.4 | -174 | 0 | 0 | 0 | 0 | 108.6 | L235 M266 R267 N272 F273 V479 L490 | L235-V270 HydrophobicContact CB-CG1 4.32Å; L235-V270 HydrophobicContact CD2-CG1 4.18Å; L235-V270 HydrophobicContact CD2-CG2 3.97Å; M266-V270 HydrophobicContact CE-CG2 4.04Å; M266-V270 PolarHBondContact O-N 3.15Å; R267-V270 WeakPolarHBondContact CA-O 3.3Å; V270-N272 PolarHBondContact O-N 3.1Å; V270-F273 HydrophobicContact CB-CB 3.9Å; V270-F273 HydrophobicContact CB-CD2 4.16Å; V270-F273 HydrophobicContact CB-CG 4.32Å; V270-F273 HydrophobicContact CG1-CB 3.99Å; V270-F273 HydrophobicContact CG1-CD2 3.88Å; V270-F273 HydrophobicContact CG1-CG 4.36Å; V270-F273 WeakPolarHBondContact O-CB 3.24Å; V270-F273 PolarHBondContact O-N 2.99Å; V270-V479 HydrophobicContact CG2-CB 4.44Å; V270-V479 HydrophobicContact CG2-CG1 3.95Å; V270-L490 WeakPolarHBondContact CA-O 3.5Å; V270-L490 HydrophobicContact CB-CB 4.16Å; V270-L490 HydrophobicContact CG1-CB 4.02Å; V270-L490 HydrophobicContact CG2-CB 3.77Å; V270-L490 HydrophobicContact CG2-CD1 3.86Å; V270-L490 HydrophobicContact CG2-CG 4.48Å |
| 271 | T | 98.4 | Very high | 97 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 48% | 0.479 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 134.1 | -179.4 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | F273 L490 T492 | T271-F273 PolarHBondContact O-N 2.64Å; T271-L490 PolarHBondContact N-O 3.03Å; T271-T492 PolarHBondContact O-N 3.4Å |
| 272 | N | 96.7 | Very high | 97.1 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 22.3 | 177.9 | -56.6 | -31.2 | 0 | 0 | 0 | 115.7 | V270 V274 T492 | V270-N272 PolarHBondContact O-N 3.1Å; N272-V274 PolarHBondContact O-N 3.45Å; N272-T492 WeakPolarHBondContact CB-O 3.22Å |
| 273 | F | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -58.7 | 129.7 | -175.4 | -174.8 | -98.9 | 0 | 0 | 0 | 113.6 | L235 V237 Q263 M266 R267 V270 T271 Y275 | L235-F273 HydrophobicContact CD2-CD2 4.21Å; L235-F273 HydrophobicContact CD2-CE2 3.92Å; L235-F273 HydrophobicContact CG-CE2 4.39Å; V237-F273 HydrophobicContact CB-CE2 4.49Å; V237-F273 HydrophobicContact CB-CZ 4.42Å; V237-F273 HydrophobicContact CG2-CE2 3.99Å; V237-F273 HydrophobicContact CG2-CZ 4.2Å; Q263-F273 HydrophobicContact CG-CD1 4.07Å; Q263-F273 HydrophobicContact CG-CE1 4.46Å; M266-F273 HydrophobicContact CB-CB 4.41Å; M266-F273 HydrophobicContact CB-CD1 3.29Å; M266-F273 HydrophobicContact CB-CE1 3.56Å; M266-F273 HydrophobicContact CB-CG 3.82Å; M266-F273 HydrophobicContact CB-CZ 4.28Å; M266-F273 HydrophobicContact CE-CD2 4.36Å; M266-F273 HydrophobicContact CE-CE1 4.39Å; M266-F273 HydrophobicContact CE-CE2 3.96Å; M266-F273 HydrophobicContact CE-CZ 3.98Å; M266-F273 HydrophobicContact CG-CD1 4.08Å; M266-F273 HydrophobicContact CG-CE1 3.8Å; M266-F273 HydrophobicContact CG-CZ 4.26Å; R267-F273 HydrophobicContact CG-CB 3.96Å; R267-F273 WeakPolarHBondContact CG-O 3.42Å; R267-F273 PolarHBondContact NE-O 3.41Å; V270-F273 HydrophobicContact CB-CB 3.9Å; V270-F273 HydrophobicContact CB-CD2 4.16Å; V270-F273 HydrophobicContact CB-CG 4.32Å; V270-F273 HydrophobicContact CG1-CB 3.99Å; V270-F273 HydrophobicContact CG1-CD2 3.88Å; V270-F273 HydrophobicContact CG1-CG 4.36Å; V270-F273 WeakPolarHBondContact O-CB 3.24Å; V270-F273 PolarHBondContact O-N 2.99Å; T271-F273 PolarHBondContact O-N 2.64Å; F273-Y275 HydrophobicContact CE1-CD1 4.03Å; F273-Y275 AromaticContact CE1-CD2 3.92Å; F273-Y275 HydrophobicContact CE1-CD2 3.92Å; F273-Y275 AromaticContact CE1-CE1 3.85Å; F273-Y275 HydrophobicContact CE1-CE1 3.85Å; F273-Y275 AromaticContact CE1-CE2 3.73Å; F273-Y275 HydrophobicContact CE1-CE2 3.73Å; F273-Y275 HydrophobicContact CE1-CG 4.07Å; F273-Y275 AromaticContact CE1-CZ 3.69Å; F273-Y275 AromaticContact CZ-CD1 3.75Å; F273-Y275 HydrophobicContact CZ-CD1 3.75Å; F273-Y275 HydrophobicContact CZ-CD2 4.47Å; F273-Y275 AromaticContact CZ-CE1 3.54Å; F273-Y275 HydrophobicContact CZ-CE1 3.54Å; F273-Y275 HydrophobicContact CZ-CE2 4.31Å; F273-Y275 HydrophobicContact CZ-CG 4.21Å; F273-Y275 AromaticContact CZ-CZ 3.85Å | ||
| 274 | V | 96.4 | Very high | 97 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | trans | -142.3 | 130.6 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | N272 D316 W318 | N272-V274 PolarHBondContact O-N 3.45Å; V274-D316 WeakPolarHBondContact CG1-O 2.96Å; V274-W318 HydrophobicContact CB-CD2 4.12Å; V274-W318 HydrophobicContact CB-CG 4.4Å; V274-W318 HydrophobicContact CB-CZ2 4.45Å; V274-W318 HydrophobicContact CG1-CB 4.23Å; V274-W318 HydrophobicContact CG1-CD2 3.93Å; V274-W318 HydrophobicContact CG1-CG 3.69Å; V274-W318 HydrophobicContact CG2-CZ2 4.5Å | ||
| 275 | Y | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -69.9 | 141.1 | 170 | -72.6 | -69.1 | 0 | 0 | 0 | 110.3 | V237 I239 L259 S262 Q263 F273 F317 W318 Y465 | V237-Y275 HydrophobicContact CB-CD1 4.07Å; V237-Y275 HydrophobicContact CB-CE1 4.28Å; V237-Y275 HydrophobicContact CG1-CD1 3.98Å; V237-Y275 HydrophobicContact CG1-CE1 3.98Å; I239-Y275 HydrophobicContact CD1-CD1 3.81Å; I239-Y275 HydrophobicContact CD1-CE1 4.44Å; I239-Y275 HydrophobicContact CD1-CG 3.97Å; I239-Y275 HydrophobicContact CG1-CD1 4.22Å; L259-Y275 HydrophobicContact CD1-CD2 3.65Å; L259-Y275 HydrophobicContact CD1-CE1 4.45Å; L259-Y275 HydrophobicContact CD1-CE2 3.46Å; L259-Y275 VanDerWaalsContact CD1-CE2 3.46Å; L259-Y275 HydrophobicContact CD1-CG 4.23Å; L259-Y275 HydrophobicContact CG-CD2 4.09Å; L259-Y275 HydrophobicContact CG-CE2 4.22Å; S262-Y275 PolarHBondContact OG-OH 3.35Å; S262-Y275 VanDerWaalsContact OG-OH 3.07Å; Q263-Y275 HydrophobicContact CB-CD2 3.9Å; Q263-Y275 HydrophobicContact CB-CE2 3.97Å; Q263-Y275 HydrophobicContact CG-CD2 4.44Å; F273-Y275 HydrophobicContact CE1-CD1 4.03Å; F273-Y275 AromaticContact CE1-CD2 3.92Å; F273-Y275 HydrophobicContact CE1-CD2 3.92Å; F273-Y275 AromaticContact CE1-CE1 3.85Å; F273-Y275 HydrophobicContact CE1-CE1 3.85Å; F273-Y275 AromaticContact CE1-CE2 3.73Å; F273-Y275 HydrophobicContact CE1-CE2 3.73Å; F273-Y275 HydrophobicContact CE1-CG 4.07Å; F273-Y275 AromaticContact CE1-CZ 3.69Å; F273-Y275 AromaticContact CZ-CD1 3.75Å; F273-Y275 HydrophobicContact CZ-CD1 3.75Å; F273-Y275 HydrophobicContact CZ-CD2 4.47Å; F273-Y275 AromaticContact CZ-CE1 3.54Å; F273-Y275 HydrophobicContact CZ-CE1 3.54Å; F273-Y275 HydrophobicContact CZ-CE2 4.31Å; F273-Y275 HydrophobicContact CZ-CG 4.21Å; F273-Y275 AromaticContact CZ-CZ 3.85Å; Y275-F317 HydrophobicContact CD2-CE1 4.06Å; Y275-W318 PolarHBondContact O-N 2.73Å; Y275-Y465 AromaticContact CE1-CE1 3.89Å; Y275-Y465 HydrophobicContact CE1-CE1 3.89Å | ||
| 276 | N | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.1 | -179.5 | -167.9 | 31.4 | 0 | 0 | 0 | 109.3 | V237 D238 I239 W318 F320 | V237-N276 PolarHBondContact O-N 3.07Å; V237-N276 VanDerWaalsContact O-N 3.11Å; D238-N276 CarbonylContact C-O 3.48Å; D238-N276 WeakPolarHBondContact CA-O 3.04Å; D238-N276 WeakPolarHBondContact OD1-CB 3.11Å; D238-N276 PolarHBondContact OD1-ND2 3.21Å; I239-N276 PolarHBondContact N-O 3.28Å; N276-W318 CarbonylContact C-O 3.53Å; N276-W318 WeakPolarHBondContact CA-O 3.34Å; N276-W318 HydrophobicContact CB-CB 4.29Å; N276-W318 VanDerWaalsContact OD1-CB 3.26Å; N276-W318 WeakPolarHBondContact OD1-CB 3.45Å; N276-F320 HydrophobicContact CB-CD1 4.38Å; N276-F320 HydrophobicContact CB-CE1 4.31Å; N276-F320 VanDerWaalsContact CG-CD1 3.43Å; N276-F320 WeakPolarHBondContact ND2-CD1 3.42Å; N276-F320 WeakPolarHBondContact O-CE1 3.19Å; N276-F320 WeakPolarHBondContact OD1-CD1 3.42Å |
| 277 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.1 | -166.6 | -87.6 | 59.7 | 0 | 0 | 0 | 111.6 | I239 I242 L298 F317 W318 W319 F320 | I239-L277 HydrophobicContact CB-CD1 4.42Å; I239-L277 HydrophobicContact CD1-CD1 4.04Å; I239-L277 HydrophobicContact CG1-CD1 4.39Å; I242-L277 HydrophobicContact CD1-CD2 4.24Å; I242-L277 HydrophobicContact CD1-CG 4.01Å; I242-L277 HydrophobicContact CG1-CB 3.95Å; I242-L277 HydrophobicContact CG1-CD2 4.36Å; I242-L277 HydrophobicContact CG1-CG 3.96Å; L277-L298 HydrophobicContact CD2-CD2 3.91Å; L277-F317 HydrophobicContact CD1-CB 3.96Å; L277-F317 HydrophobicContact CD1-CD1 4.17Å; L277-F317 HydrophobicContact CD1-CD2 4.37Å; L277-F317 HydrophobicContact CD1-CG 3.92Å; L277-F317 HydrophobicContact CD2-CB 4.14Å; L277-F317 HydrophobicContact CD2-CD2 3.69Å; L277-F317 HydrophobicContact CD2-CE2 4.33Å; L277-F317 HydrophobicContact CD2-CG 4.02Å; L277-W318 PolarHBondContact N-O 2.84Å; L277-W319 HydrophobicContact CB-CD2 3.95Å; L277-W319 HydrophobicContact CB-CE3 3.68Å; L277-W319 HydrophobicContact CB-CH2 4.37Å; L277-W319 HydrophobicContact CB-CZ3 3.92Å; L277-W319 HydrophobicContact CD2-CH2 3.74Å; L277-W319 HydrophobicContact CD2-CZ2 3.81Å; L277-W319 HydrophobicContact CD2-CZ3 4.12Å; L277-W319 WeakPolarHBondContact O-CA 3.43Å; L277-F320 VanDerWaalsContact C-CE1 3.49Å; L277-F320 PolarHBondContact O-N 3.06Å |
| 278 | G | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I239 D241 I242 F320 H322 | I239-G278 PolarHBondContact O-N 2.66Å; D241-G278 PolarHBondContact N-O 3.4Å; I242-G278 VanDerWaalsContact CB-O 3.3Å; I242-G278 WeakPolarHBondContact CB-O 3.49Å; I242-G278 WeakPolarHBondContact CG1-O 3.32Å; I242-G278 PolarHBondContact N-O 3.37Å; G278-F320 WeakPolarHBondContact CA-O 3.43Å; G278-H322 PolarHBondContact O-CD2 3.1Å |
| 279 | F | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.2 | -170.3 | 75 | -77.6 | 0 | 0 | 0 | 114.9 | I242 F243 W319 F320 P321 H322 N344 F347 A348 I353 I355 W383 | I242-F279 HydrophobicContact CB-CB 4.19Å; I242-F279 HydrophobicContact CG2-CB 4.47Å; F243-F279 HydrophobicContact CD2-CB 4.25Å; F243-F279 HydrophobicContact CE2-CB 4.11Å; F279-W319 HydrophobicContact CB-CE3 4.14Å; F279-W319 HydrophobicContact CB-CZ3 4.02Å; F279-W319 HydrophobicContact CD1-CE3 4.01Å; F279-W319 HydrophobicContact CG-CE3 4.29Å; F279-F320 WeakPolarHBondContact CD1-O 3.26Å; F279-F320 WeakPolarHBondContact CE1-O 3.38Å; F279-F320 PolarHBondContact N-O 2.82Å; F279-P321 HydrophobicContact CE1-CB 4.03Å; F279-P321 HydrophobicContact CZ-CB 4.15Å; F279-H322 WeakPolarHBondContact O-CB 3.42Å; F279-H322 PolarHBondContact O-N 2.81Å; F279-H322 VanDerWaalsContact O-N 3.14Å; F279-N344 VanDerWaalsContact CE2-CG 3.48Å; F279-N344 WeakPolarHBondContact CE2-ND2 3.32Å; F279-N344 WeakPolarHBondContact CE2-OD1 3.42Å; F279-N344 PolarHBondContact O-ND2 2.96Å; F279-N344 VanDerWaalsContact O-ND2 3.1Å; F279-F347 HydrophobicContact CD2-CD1 4.14Å; F279-F347 HydrophobicContact CD2-CE1 4.22Å; F279-F347 HydrophobicContact CE2-CD1 4.02Å; F279-A348 HydrophobicContact CE2-CB 4.12Å; F279-A348 HydrophobicContact CZ-CB 3.81Å; F279-I353 HydrophobicContact CD1-CG2 4.46Å; F279-I353 HydrophobicContact CD2-CD1 4.08Å; F279-I353 HydrophobicContact CE1-CG2 4.21Å; F279-I353 HydrophobicContact CE2-CD1 4.24Å; F279-I353 HydrophobicContact CG-CD1 4.36Å; F279-I355 HydrophobicContact CE1-CD1 3.58Å; F279-I355 HydrophobicContact CZ-CD1 4.23Å; F279-W383 HydrophobicContact CZ-CH2 4.16Å |
| 280 | C | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -118.9 | 103.1 | 165.5 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | I242 V244 R282 F283 H322 H323 | I242-C280 PolarHBondContact O-N 2.76Å; V244-C280 HydrophobicContact CG2-CB 3.48Å; V244-C280 VanDerWaalsContact CG2-CB 3.48Å; V244-C280 VanDerWaalsContact CG2-SG 3.56Å; C280-R282 PolarHBondContact O-N 2.83Å; C280-R282 VanDerWaalsContact O-N 3.08Å; C280-F283 HydrophobicContact CB-CD2 3.93Å; C280-F283 HydrophobicContact CB-CE2 4.29Å; C280-F283 PolarHBondContact O-N 2.84Å; C280-H322 WeakPolarHBondContact SG-CB 3.39Å; C280-H323 PolarHBondContact SG-O 3.39Å | ||
| 281 | G | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.5 | -21.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F283 F284 N344 | G281-F283 PolarHBondContact O-N 3.49Å; G281-F283 VanDerWaalsContact O-N 3.12Å; G281-F284 WeakPolarHBondContact O-CB 3.26Å; G281-F284 PolarHBondContact O-N 2.84Å; G281-N344 PolarHBondContact N-OD1 3.06Å |
| 282 | R | 96.6 | Very high | 95.4 | Very high | 105 Ų | 105 | 40.2 Ų | 40.2 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -59.8 | -27.5 | -178.2 | 176.4 | 59.7 | -174.4 | 93.1 | -7.5 | 113.6 | C280 W324 R325 | C280-R282 PolarHBondContact O-N 2.83Å; C280-R282 VanDerWaalsContact O-N 3.08Å; R282-W324 HydrophobicContact CB-CD2 3.74Å; R282-W324 HydrophobicContact CB-CE3 4.18Å; R282-W324 HydrophobicContact CB-CG 4.17Å; R282-W324 HydrophobicContact CB-CH2 4.38Å; R282-W324 HydrophobicContact CB-CZ2 3.97Å; R282-W324 HydrophobicContact CB-CZ3 4.48Å; R282-W324 WeakPolarHBondContact CB-O 3.23Å; R282-W324 VanDerWaalsContact N-CE3 3.29Å; R282-W324 PolarHBondContact N-O 3.42Å; R282-R325 HydrophobicContact CG-CG 4.24Å |
| 283 | F | 96 | Very high | 95.2 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -101.7 | -0.6 | -171.5 | -56.2 | -88.3 | 0 | 0 | 0 | 113.2 | F243 V244 C280 G281 G285 K286 H326 | F243-F283 HydrophobicContact CB-CB 4.2Å; F243-F283 WeakPolarHBondContact O-CB 3.49Å; V244-F283 HydrophobicContact CB-CD2 4.41Å; V244-F283 HydrophobicContact CG1-CD2 4.41Å; V244-F283 HydrophobicContact CG1-CE2 4.37Å; V244-F283 HydrophobicContact CG2-CD2 3.99Å; V244-F283 HydrophobicContact CG2-CE2 4.38Å; C280-F283 HydrophobicContact CB-CD2 3.93Å; C280-F283 HydrophobicContact CB-CE2 4.29Å; C280-F283 PolarHBondContact O-N 2.84Å; G281-F283 PolarHBondContact O-N 3.49Å; G281-F283 VanDerWaalsContact O-N 3.12Å; F283-G285 PolarHBondContact O-N 3.47Å; F283-K286 HydrophobicContact CB-CD 4.42Å; F283-K286 HydrophobicContact CD1-CD 4.22Å; F283-K286 WeakPolarHBondContact O-CB 3.36Å; F283-K286 WeakPolarHBondContact O-CG 3.39Å; F283-K286 PolarHBondContact O-N 2.98Å; F283-H326 HydrophobicContact CE2-CB 4.16Å |
| 284 | F | 95.1 | Very high | 95 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 135.2 | 174.9 | 179.7 | -98.5 | 0 | 0 | 0 | 111.8 | F243 G281 K286 D295 L299 F347 | F243-F284 AromaticContact CD1-CD2 3.83Å; F243-F284 HydrophobicContact CD1-CD2 3.83Å; F243-F284 HydrophobicContact CD2-CB 4.25Å; F243-F284 HydrophobicContact CD2-CD2 4.26Å; F243-F284 AromaticContact CE1-CD2 3.59Å; F243-F284 HydrophobicContact CE1-CD2 3.59Å; F243-F284 HydrophobicContact CE1-CE2 4.04Å; F243-F284 HydrophobicContact CE2-CD2 4.04Å; F243-F284 HydrophobicContact CG-CB 4.23Å; F243-F284 HydrophobicContact CG-CD2 4.16Å; F243-F284 AromaticContact CZ-CD2 3.7Å; F243-F284 HydrophobicContact CZ-CD2 3.7Å; F243-F284 HydrophobicContact CZ-CE2 4.18Å; G281-F284 WeakPolarHBondContact O-CB 3.26Å; G281-F284 PolarHBondContact O-N 2.84Å; F284-K286 VanDerWaalsContact C-N 3.28Å; F284-K286 PolarHBondContact O-N 2.64Å; F284-D295 HydrophobicContact CD2-CB 4.06Å; F284-D295 HydrophobicContact CE2-CB 3.76Å; F284-L299 HydrophobicContact CD2-CD1 4.03Å; F284-L299 HydrophobicContact CE2-CD1 3.24Å; F284-L299 HydrophobicContact CE2-CG 4.05Å; F284-L299 HydrophobicContact CZ-CD1 3.54Å; F284-F347 HydrophobicContact CB-CE2 3.63Å; F284-F347 HydrophobicContact CB-CZ 3.52Å; F284-F347 HydrophobicContact CD1-CE2 4.06Å; F284-F347 HydrophobicContact CD1-CZ 4.23Å; F284-F347 AromaticContact CD2-CZ 3.94Å; F284-F347 HydrophobicContact CD2-CZ 3.94Å; F284-F347 AromaticContact CG-CE2 3.83Å; F284-F347 HydrophobicContact CG-CE2 3.83Å; F284-F347 AromaticContact CG-CZ 3.62Å; F284-F347 HydrophobicContact CG-CZ 3.62Å |
| 285 | G | 92.2 | Very high | 94.8 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 12.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F283 K292 D295 | F283-G285 PolarHBondContact O-N 3.47Å; G285-K292 WeakPolarHBondContact O-CE 3.38Å; G285-D295 PolarHBondContact N-OD2 3.28Å |
| 286 | K | 92.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | trans | -93.3 | 154.7 | 169.3 | -61.5 | -174.5 | -178.9 | -179.4 | 0 | 111.2 | K250 F283 F284 | K250-K286 WeakPolarHBondContact CD-O 3.2Å; K250-K286 PolarHBondContact NZ-O 2.84Å; F283-K286 HydrophobicContact CB-CD 4.42Å; F283-K286 HydrophobicContact CD1-CD 4.22Å; F283-K286 WeakPolarHBondContact O-CB 3.36Å; F283-K286 WeakPolarHBondContact O-CG 3.39Å; F283-K286 PolarHBondContact O-N 2.98Å; F284-K286 VanDerWaalsContact C-N 3.28Å; F284-K286 PolarHBondContact O-N 2.64Å | ||
| 287 | G | 92 | Very high | 94.2 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 110.2 | -170.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E291 K292 | G287-E291 WeakPolarHBondContact CA-OE2 3.28Å; G287-K292 WeakPolarHBondContact O-CE 3.48Å |
| 288 | N | 94.5 | Very high | 94 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -75.2 | 176.4 | 178.2 | 66.7 | 54.5 | 0 | 0 | 0 | 112.2 | E247 L290 E291 K292 | E247-N288 HydrophobicContact CG-CB 4.3Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.22Å; N288-L290 WeakPolarHBondContact OD1-CB 3.27Å; N288-L290 PolarHBondContact OD1-N 2.89Å; N288-E291 PolarHBondContact N-OE2 2.89Å; N288-E291 VanDerWaalsContact ND2-CD 3.31Å; N288-E291 PolarHBondContact ND2-OE2 3.38Å; N288-E291 PolarHBondContact O-N 2.84Å; N288-E291 WeakPolarHBondContact OD1-CG 3.21Å; N288-E291 PolarHBondContact OD1-N 2.93Å; N288-K292 WeakPolarHBondContact O-CG 3.16Å; N288-K292 PolarHBondContact O-N 2.81Å |
| 289 | K | 94.6 | Very high | 93.6 | Very high | 161 Ų | 161 | 42.4 Ų | 42.4 | 70% | 0.7 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -56 | -41.8 | -177.7 | -174.5 | -179.2 | 177.3 | -176.3 | 0 | 113 | Q293 | K289-Q293 WeakPolarHBondContact O-CG 3.44Å; K289-Q293 PolarHBondContact O-N 2.79Å |
| 290 | L | 94.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.8 | -37.6 | -177.4 | -62 | 176.2 | 0 | 0 | 0 | 111.9 | T252 N288 Q293 G294 | T252-L290 HydrophobicContact CG2-CB 3.82Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.22Å; N288-L290 WeakPolarHBondContact OD1-CB 3.27Å; N288-L290 PolarHBondContact OD1-N 2.89Å; L290-Q293 WeakPolarHBondContact O-CB 3.35Å; L290-Q293 PolarHBondContact O-N 2.85Å; L290-G294 PolarHBondContact O-N 2.93Å |
| 291 | E | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 175.8 | -66.8 | 175.7 | 145.9 | 0 | 0 | 111.7 | G248 S249 K250 G287 N288 Q293 G294 D295 | G248-E291 WeakPolarHBondContact CA-OE1 3.22Å; G248-E291 PolarHBondContact N-OE1 2.95Å; S249-E291 PolarHBondContact N-OE1 3.32Å; K250-E291 HydrophobicContact CB-CB 3.95Å; K250-E291 HydrophobicContact CB-CG 3.77Å; K250-E291 HydrophobicContact CD-CB 4.49Å; K250-E291 PolarHBondContact N-OE1 3.23Å; K250-E291 VanDerWaalsContact N-OE1 3.15Å; G287-E291 WeakPolarHBondContact CA-OE2 3.28Å; N288-E291 PolarHBondContact N-OE2 2.89Å; N288-E291 VanDerWaalsContact ND2-CD 3.31Å; N288-E291 PolarHBondContact ND2-OE2 3.38Å; N288-E291 PolarHBondContact O-N 2.84Å; N288-E291 WeakPolarHBondContact OD1-CG 3.21Å; N288-E291 PolarHBondContact OD1-N 2.93Å; E291-Q293 VanDerWaalsContact C-N 3.26Å; E291-Q293 PolarHBondContact O-N 3.3Å; E291-G294 PolarHBondContact O-N 3.38Å; E291-G294 VanDerWaalsContact O-N 3.16Å; E291-D295 PolarHBondContact O-N 3Å |
| 292 | K | 93.9 | Very high | 89.6 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 172.4 | -70.8 | 178.3 | -172.4 | 175.5 | 0 | 111.8 | G285 G287 N288 Q296 | G285-K292 WeakPolarHBondContact O-CE 3.38Å; G287-K292 WeakPolarHBondContact O-CE 3.48Å; N288-K292 WeakPolarHBondContact O-CG 3.16Å; N288-K292 PolarHBondContact O-N 2.81Å; K292-Q296 WeakPolarHBondContact O-CG 3.16Å; K292-Q296 PolarHBondContact O-N 3.27Å |
| 293 | Q | 92.2 | Very high | 87.5 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 174.2 | -71.8 | 170.9 | -22.9 | 0 | 0 | 111.4 | A253 K289 L290 E291 Q296 M297 | A253-Q293 HydrophobicContact CB-CB 4.27Å; K289-Q293 WeakPolarHBondContact O-CG 3.44Å; K289-Q293 PolarHBondContact O-N 2.79Å; L290-Q293 WeakPolarHBondContact O-CB 3.35Å; L290-Q293 PolarHBondContact O-N 2.85Å; E291-Q293 VanDerWaalsContact C-N 3.26Å; E291-Q293 PolarHBondContact O-N 3.3Å; Q293-Q296 PolarHBondContact O-N 2.61Å; Q293-M297 WeakPolarHBondContact O-CB 3.41Å; Q293-M297 PolarHBondContact O-N 3Å |
| 294 | G | 92.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L290 E291 Q296 M297 L298 | L290-G294 PolarHBondContact O-N 2.93Å; E291-G294 PolarHBondContact O-N 3.38Å; E291-G294 VanDerWaalsContact O-N 3.16Å; G294-Q296 VanDerWaalsContact C-N 3.31Å; G294-Q296 PolarHBondContact O-N 3.15Å; G294-M297 PolarHBondContact O-N 2.93Å; G294-L298 WeakPolarHBondContact O-CG 3.32Å; G294-L298 PolarHBondContact O-N 3.07Å |
| 295 | D | 93.4 | Very high | 83.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.6 | -44.6 | 174 | -81.9 | 12.2 | 0 | 0 | 0 | 112 | F243 K250 F284 G285 E291 | F243-D295 HydrophobicContact CD1-CB 4.16Å; F243-D295 VanDerWaalsContact CD1-CG 3.48Å; F243-D295 WeakPolarHBondContact CD1-OD1 3.31Å; F243-D295 HydrophobicContact CE1-CB 4.08Å; K250-D295 WeakPolarHBondContact CE-OD1 3.41Å; K250-D295 VanDerWaalsContact NZ-CG 3.27Å; K250-D295 IonicContact NZ-OD1 3.82Å; K250-D295 PolarHBondContact NZ-OD1 2.99Å; K250-D295 VanDerWaalsContact NZ-OD1 3.07Å; K250-D295 IonicContact NZ-OD2 2.94Å; K250-D295 PolarHBondContact NZ-OD2 2.83Å; F284-D295 HydrophobicContact CD2-CB 4.06Å; F284-D295 HydrophobicContact CE2-CB 3.76Å; G285-D295 PolarHBondContact N-OD2 3.28Å; E291-D295 PolarHBondContact O-N 3Å |
| 296 | Q | 90.9 | Very high | 81.3 | Confident | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 178.1 | -64.4 | -65.5 | -12.1 | 0 | 0 | 111.9 | K292 Q293 G294 L298 L299 G300 K301 | K292-Q296 WeakPolarHBondContact O-CG 3.16Å; K292-Q296 PolarHBondContact O-N 3.27Å; Q293-Q296 PolarHBondContact O-N 2.61Å; G294-Q296 VanDerWaalsContact C-N 3.31Å; G294-Q296 PolarHBondContact O-N 3.15Å; Q296-L298 VanDerWaalsContact C-N 3.35Å; Q296-L298 PolarHBondContact O-N 3.46Å; Q296-L299 PolarHBondContact O-N 3.03Å; Q296-L299 VanDerWaalsContact O-N 3.09Å; Q296-G300 PolarHBondContact O-N 2.89Å; Q296-K301 HydrophobicContact CB-CB 4.29Å; Q296-K301 PolarHBondContact O-N 3Å |
| 297 | M | 89.2 | Confident | 79.5 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 179.7 | -172.2 | 173.3 | 178 | 0 | 0 | 112.2 | A253 V256 S257 Q293 G294 L299 G300 E312 | A253-M297 HydrophobicContact CB-SD 3.96Å; A253-M297 VanDerWaalsContact O-SD 3.35Å; V256-M297 HydrophobicContact CB-CB 4.43Å; V256-M297 HydrophobicContact CB-CG 4.17Å; V256-M297 HydrophobicContact CB-SD 3.88Å; V256-M297 HydrophobicContact CG1-CB 4.18Å; V256-M297 HydrophobicContact CG1-CE 4.24Å; V256-M297 HydrophobicContact CG1-CG 3.71Å; V256-M297 HydrophobicContact CG1-SD 3.95Å; S257-M297 WeakPolarHBondContact OG-CE 3.41Å; Q293-M297 WeakPolarHBondContact O-CB 3.41Å; Q293-M297 PolarHBondContact O-N 3Å; G294-M297 PolarHBondContact O-N 2.93Å; M297-L299 PolarHBondContact O-N 3.28Å; M297-G300 PolarHBondContact O-N 2.86Å; M297-E312 WeakPolarHBondContact CE-OE2 3.25Å |
| 298 | L | 92.1 | Very high | 77.5 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.2 | -33.8 | 173.4 | -75.8 | 168.1 | 0 | 0 | 0 | 112.8 | I242 F243 M251 V256 L277 G294 Q296 G300 F317 W319 | I242-L298 HydrophobicContact CG2-CD1 4.03Å; F243-L298 HydrophobicContact CE1-CD1 4.06Å; M251-L298 HydrophobicContact CE-CD1 3.62Å; M251-L298 HydrophobicContact CE-CD2 3.7Å; M251-L298 HydrophobicContact CE-CG 4.12Å; V256-L298 HydrophobicContact CG1-CD2 3.93Å; V256-L298 HydrophobicContact CG1-CG 4.22Å; V256-L298 HydrophobicContact CG2-CD1 4.42Å; V256-L298 HydrophobicContact CG2-CD2 3.92Å; V256-L298 HydrophobicContact CG2-CG 3.73Å; L277-L298 HydrophobicContact CD2-CD2 3.91Å; G294-L298 WeakPolarHBondContact O-CG 3.32Å; G294-L298 PolarHBondContact O-N 3.07Å; Q296-L298 VanDerWaalsContact C-N 3.35Å; Q296-L298 PolarHBondContact O-N 3.46Å; L298-G300 VanDerWaalsContact C-N 3.31Å; L298-F317 HydrophobicContact CD2-CD2 4.47Å; L298-F317 HydrophobicContact CD2-CE2 4.11Å; L298-W319 HydrophobicContact CB-CH2 4.26Å |
| 299 | L | 89.2 | Confident | 75.2 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.2 | 178.4 | -61.3 | -177.1 | 0 | 0 | 0 | 113.7 | F243 F284 Q296 M297 K301 W319 N351 I353 | F243-L299 HydrophobicContact CZ-CD2 4.1Å; F243-L299 HydrophobicContact CZ-CG 4.32Å; F284-L299 HydrophobicContact CD2-CD1 4.03Å; F284-L299 HydrophobicContact CE2-CD1 3.24Å; F284-L299 HydrophobicContact CE2-CG 4.05Å; F284-L299 HydrophobicContact CZ-CD1 3.54Å; Q296-L299 PolarHBondContact O-N 3.03Å; Q296-L299 VanDerWaalsContact O-N 3.09Å; M297-L299 PolarHBondContact O-N 3.28Å; L299-K301 HydrophobicContact CB-CD 4.17Å; L299-K301 HydrophobicContact CB-CG 4.12Å; L299-K301 HydrophobicContact CD1-CD 4.32Å; L299-K301 PolarHBondContact O-N 2.83Å; L299-W319 HydrophobicContact CD2-CH2 4.22Å; L299-W319 HydrophobicContact CD2-CZ2 4.46Å; L299-N351 HydrophobicContact CD1-CB 3.96Å; L299-I353 HydrophobicContact CD2-CD1 3.73Å; L299-I353 HydrophobicContact CD2-CG1 3.52Å |
| 300 | G | 79.8 | Confident | 73.1 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 21.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q296 M297 L298 L302 | Q296-G300 PolarHBondContact O-N 2.89Å; M297-G300 PolarHBondContact O-N 2.86Å; L298-G300 VanDerWaalsContact C-N 3.31Å; G300-L302 PolarHBondContact O-N 3.49Å |
| 301 | K | 70 | Confident | 70.8 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | trans | -88.4 | 103.6 | 177.7 | -67.9 | 177.1 | 178.4 | -177.6 | 0 | 109 | Q296 L299 N351 | Q296-K301 HydrophobicContact CB-CB 4.29Å; Q296-K301 PolarHBondContact O-N 3Å; L299-K301 HydrophobicContact CB-CD 4.17Å; L299-K301 HydrophobicContact CB-CG 4.12Å; L299-K301 HydrophobicContact CD1-CD 4.32Å; L299-K301 PolarHBondContact O-N 2.83Å; K301-N351 PolarHBondContact NZ-OD1 2.96Å | ||
| 302 | L | 55.7 | Low | 68.6 | Low | 93 Ų | 93 | 71.5 Ų | 71.5 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | 10.3 | 116.2 | 157.9 | -151.3 | 76 | 0 | 0 | 0 | 116.5 | G300 F309 V311 | G300-L302 PolarHBondContact O-N 3.49Å; L302-F309 HydrophobicContact CD1-CB 4.21Å; L302-F309 HydrophobicContact CD1-CD1 4.31Å; L302-F309 HydrophobicContact CD2-CB 4.34Å; L302-F309 HydrophobicContact CD2-CD1 3.12Å; L302-F309 HydrophobicContact CD2-CE1 3.36Å; L302-F309 HydrophobicContact CD2-CG 3.87Å; L302-F309 HydrophobicContact CD2-CZ 4.31Å; L302-F309 HydrophobicContact CG-CB 4.24Å; L302-F309 HydrophobicContact CG-CD1 3.47Å; L302-F309 VanDerWaalsContact CG-CD1 3.47Å; L302-F309 HydrophobicContact CG-CE1 4.11Å; L302-F309 HydrophobicContact CG-CG 4.2Å; L302-V311 HydrophobicContact CD1-CB 4.42Å; L302-V311 HydrophobicContact CD1-CG2 3.45Å; L302-V311 VanDerWaalsContact CD1-CG2 3.45Å | ||
| 303 | W | 51.5 | Low | 66.5 | Low | 78 Ų | 78 | 75.9 Ų | 75.9 | 30% | 0.295 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.3 | 172.5 | -169.1 | 21.2 | 0 | 0 | 0 | 111.5 | A253 L305 V310 | A253-W303 HydrophobicContact CB-CD2 4.39Å; A253-W303 HydrophobicContact CB-CE3 3.89Å; A253-W303 HydrophobicContact CB-CH2 3.57Å; A253-W303 HydrophobicContact CB-CZ2 4.08Å; A253-W303 HydrophobicContact CB-CZ3 3.45Å; A253-W303 VanDerWaalsContact CB-CZ3 3.45Å; W303-L305 HydrophobicContact CD2-CD1 4.46Å; W303-L305 HydrophobicContact CE3-CD1 3.98Å; W303-L305 HydrophobicContact CE3-CG 4.47Å; W303-L305 HydrophobicContact CH2-CD1 4.2Å; W303-L305 HydrophobicContact CH2-CG 4.34Å; W303-L305 HydrophobicContact CZ2-CG 4.37Å; W303-L305 HydrophobicContact CZ3-CD1 3.83Å; W303-L305 HydrophobicContact CZ3-CG 4.39Å; W303-V310 PolarHBondContact O-N 3.09Å |
| 304 | C | 48.9 | Very low | 64.7 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 113.9 | 166.7 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | E308 F309 | C304-E308 VanDerWaalsContact CA-O 3.32Å; C304-E308 WeakPolarHBondContact CA-O 3.38Å; C304-F309 WeakPolarHBondContact SG-CD1 3.24Å; C304-F309 WeakPolarHBondContact SG-CE1 3.36Å |
| 305 | L | 49.9 | Very low | 63.2 | Low | 87 Ų | 87 | 77 Ų | 77 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.2 | 161.4 | -100.4 | 150.9 | 0 | 0 | 0 | 107.1 | W303 G307 E308 | W303-L305 HydrophobicContact CD2-CD1 4.46Å; W303-L305 HydrophobicContact CE3-CD1 3.98Å; W303-L305 HydrophobicContact CE3-CG 4.47Å; W303-L305 HydrophobicContact CH2-CD1 4.2Å; W303-L305 HydrophobicContact CH2-CG 4.34Å; W303-L305 HydrophobicContact CZ2-CG 4.37Å; W303-L305 HydrophobicContact CZ3-CD1 3.83Å; W303-L305 HydrophobicContact CZ3-CG 4.39Å; L305-G307 PolarHBondContact O-N 3.04Å; L305-E308 PolarHBondContact N-O 3.06Å; L305-E308 VanDerWaalsContact N-O 3.15Å; L305-E308 PolarHBondContact O-N 2.94Å |
| 306 | N | 56 | Low | 62.7 | Low | 170 Ų | 170 | 81.8 Ų | 81.8 | 91% | 0.909 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 26.7 | 176.3 | -59.3 | -21.9 | 0 | 0 | 0 | 116.3 | ||
| 307 | G | 53.5 | Low | 62.8 | Low | 64 Ų | 64 | 79 Ų | 79 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -7.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L305 | L305-G307 PolarHBondContact O-N 3.04Š|
| 308 | E | 49.7 | Very low | 63.1 | Low | 152 Ų | 152 | 80.2 Ų | 80.2 | 71% | 0.71 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.2 | 174.6 | -71.3 | -173.1 | 161.2 | 0 | 0 | 111.4 | C304 L305 V310 | C304-E308 VanDerWaalsContact CA-O 3.32Å; C304-E308 WeakPolarHBondContact CA-O 3.38Å; L305-E308 PolarHBondContact N-O 3.06Å; L305-E308 VanDerWaalsContact N-O 3.15Å; L305-E308 PolarHBondContact O-N 2.94Å; E308-V310 PolarHBondContact O-N 3.2Å |
| 309 | F | 46.1 | Very low | 63.3 | Low | 143 Ų | 143 | 81 Ų | 81 | 63% | 0.627 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 115.2 | 174.2 | -73.3 | -71.1 | 0 | 0 | 0 | 110.3 | L302 C304 | L302-F309 HydrophobicContact CD1-CB 4.21Å; L302-F309 HydrophobicContact CD1-CD1 4.31Å; L302-F309 HydrophobicContact CD2-CB 4.34Å; L302-F309 HydrophobicContact CD2-CD1 3.12Å; L302-F309 HydrophobicContact CD2-CE1 3.36Å; L302-F309 HydrophobicContact CD2-CG 3.87Å; L302-F309 HydrophobicContact CD2-CZ 4.31Å; L302-F309 HydrophobicContact CG-CB 4.24Å; L302-F309 HydrophobicContact CG-CD1 3.47Å; L302-F309 VanDerWaalsContact CG-CD1 3.47Å; L302-F309 HydrophobicContact CG-CE1 4.11Å; L302-F309 HydrophobicContact CG-CG 4.2Å; C304-F309 WeakPolarHBondContact SG-CD1 3.24Å; C304-F309 WeakPolarHBondContact SG-CE1 3.36Å |
| 310 | V | 51.8 | Low | 63.7 | Low | 70 Ų | 70 | 80 Ų | 80 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.2 | 170.1 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | W303 E308 E312 | W303-V310 PolarHBondContact O-N 3.09Å; E308-V310 PolarHBondContact O-N 3.2Å; V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 HydrophobicContact CG1-CG 4.41Å; V310-E312 PolarHBondContact O-N 3.06Å |
| 311 | V | 45.7 | Very low | 64.5 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 71% | 0.709 | 42% | 0.417 | S | S | * | . | trans | -81.3 | 84.3 | 164.3 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | L302 K313 | L302-V311 HydrophobicContact CD1-CB 4.42Å; L302-V311 HydrophobicContact CD1-CG2 3.45Å; L302-V311 VanDerWaalsContact CD1-CG2 3.45Å; V311-K313 PolarHBondContact O-N 3.12Å | ||
| 312 | E | 48.3 | Very low | 65.7 | Low | 103 Ų | 103 | 75.3 Ų | 75.3 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | trans | -74.7 | 125.6 | 161 | -109.5 | -175 | 165.5 | 0 | 0 | 108 | M297 V310 A314 | M297-E312 WeakPolarHBondContact CE-OE2 3.25Å; V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 HydrophobicContact CG1-CG 4.41Å; V310-E312 PolarHBondContact O-N 3.06Å; E312-A314 PolarHBondContact O-N 2.95Å | ||
| 313 | K | 50.9 | Low | 67.6 | Low | 191 Ų | 191 | 71 Ų | 71 | 83% | 0.83 | 38% | 0.38 | S | S | * | . | trans | -39 | 123.3 | 173 | -158.2 | 178.5 | -172.4 | -179.2 | 0 | 108.4 | V311 A315 | V311-K313 PolarHBondContact O-N 3.12Å; K313-A315 PolarHBondContact O-N 2.9Å; K313-A315 VanDerWaalsContact O-N 3.15Å | ||
| 314 | A | 54.5 | Low | 69.7 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 51% | 0.512 | 37% | 0.373 | S | S | . | . | trans | -42.6 | 127.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E312 D316 | E312-A314 PolarHBondContact O-N 2.95Å; A314-D316 PolarHBondContact O-N 2.85Å; A314-D316 VanDerWaalsContact O-N 3.11Å | ||
| 315 | A | 60.7 | Low | 71.8 | Confident | 11 Ų | 11 | 74.2 Ų | 74.2 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | trans | -54.5 | 123.3 | -172 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q260 K313 F317 | Q260-A315 HydrophobicContact CG-CB 4.05Å; Q260-A315 VanDerWaalsContact NE2-CB 3.28Å; K313-A315 PolarHBondContact O-N 2.9Å; K313-A315 VanDerWaalsContact O-N 3.15Å; A315-F317 HydrophobicContact CB-CD2 3.38Å; A315-F317 HydrophobicContact CB-CE2 3.23Å; A315-F317 HydrophobicContact CB-CG 4.28Å; A315-F317 HydrophobicContact CB-CZ 4.02Å; A315-F317 PolarHBondContact O-N 2.86Å | ||
| 316 | D | 82.5 | Confident | 73.9 | Confident | 100 Ų | 100 | 71.7 Ų | 71.7 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | trans | -73.4 | 65.8 | -176.3 | -177.4 | 41.1 | 0 | 0 | 0 | 110.1 | Q263 R267 V274 A314 | Q263-D316 PolarHBondContact NE2-O 2.85Å; R267-D316 IonicContact CZ-OD2 3.94Å; R267-D316 IonicContact NH1-OD2 4Å; R267-D316 IonicContact NH2-OD2 3.85Å; R267-D316 PolarHBondContact NH2-OD2 3.23Å; V274-D316 WeakPolarHBondContact CG1-O 2.96Å; A314-D316 PolarHBondContact O-N 2.85Å; A314-D316 VanDerWaalsContact O-N 3.11Å | ||
| 317 | F | 92.8 | Very high | 75.7 | Confident | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 34% | 0.338 | C | S | . | . | trans | -105.7 | 148.9 | 176.7 | -63.3 | -48 | 0 | 0 | 0 | 110.2 | L259 Q260 Q263 Y275 L277 L298 A315 W319 | L259-F317 HydrophobicContact CB-CZ 4.34Å; L259-F317 HydrophobicContact CD2-CE1 4.18Å; L259-F317 HydrophobicContact CD2-CE2 4.06Å; L259-F317 HydrophobicContact CD2-CZ 3.62Å; L259-F317 HydrophobicContact CG-CE1 4.1Å; L259-F317 HydrophobicContact CG-CZ 3.72Å; Q260-F317 HydrophobicContact CG-CE2 4.35Å; Q260-F317 HydrophobicContact CG-CZ 3.87Å; Q263-F317 VanDerWaalsContact OE1-CD1 3.3Å; Y275-F317 HydrophobicContact CD2-CE1 4.06Å; L277-F317 HydrophobicContact CD1-CB 3.96Å; L277-F317 HydrophobicContact CD1-CD1 4.17Å; L277-F317 HydrophobicContact CD1-CD2 4.37Å; L277-F317 HydrophobicContact CD1-CG 3.92Å; L277-F317 HydrophobicContact CD2-CB 4.14Å; L277-F317 HydrophobicContact CD2-CD2 3.69Å; L277-F317 HydrophobicContact CD2-CE2 4.33Å; L277-F317 HydrophobicContact CD2-CG 4.02Å; L298-F317 HydrophobicContact CD2-CD2 4.47Å; L298-F317 HydrophobicContact CD2-CE2 4.11Å; A315-F317 HydrophobicContact CB-CD2 3.38Å; A315-F317 HydrophobicContact CB-CE2 3.23Å; A315-F317 HydrophobicContact CB-CG 4.28Å; A315-F317 HydrophobicContact CB-CZ 4.02Å; A315-F317 PolarHBondContact O-N 2.86Å; F317-W319 VanDerWaalsContact O-CD1 3.29Å | ||
| 318 | W | 95.3 | Very high | 77.7 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 157.3 | 163.6 | -64.4 | -13.4 | 0 | 0 | 0 | 109.6 | V274 Y275 N276 L277 F357 T492 | V274-W318 HydrophobicContact CB-CD2 4.12Å; V274-W318 HydrophobicContact CB-CG 4.4Å; V274-W318 HydrophobicContact CB-CZ2 4.45Å; V274-W318 HydrophobicContact CG1-CB 4.23Å; V274-W318 HydrophobicContact CG1-CD2 3.93Å; V274-W318 HydrophobicContact CG1-CG 3.69Å; V274-W318 HydrophobicContact CG2-CZ2 4.5Å; Y275-W318 PolarHBondContact O-N 2.73Å; N276-W318 CarbonylContact C-O 3.53Å; N276-W318 WeakPolarHBondContact CA-O 3.34Å; N276-W318 HydrophobicContact CB-CB 4.29Å; N276-W318 VanDerWaalsContact OD1-CB 3.26Å; N276-W318 WeakPolarHBondContact OD1-CB 3.45Å; L277-W318 PolarHBondContact N-O 2.84Å; W318-F357 HydrophobicContact CD2-CD2 4.26Å; W318-F357 AromaticContact CD2-CE2 3.49Å; W318-F357 HydrophobicContact CD2-CE2 3.49Å; W318-F357 VanDerWaalsContact CD2-CE2 3.49Å; W318-F357 HydrophobicContact CD2-CZ 4.41Å; W318-F357 AromaticContact CE2-CE2 3.51Å; W318-F357 AromaticContact CE2-CZ 3.99Å; W318-F357 HydrophobicContact CE3-CD2 4.31Å; W318-F357 AromaticContact CE3-CE2 3.8Å; W318-F357 HydrophobicContact CE3-CE2 3.8Å; W318-F357 AromaticContact CG-CE2 3.9Å; W318-F357 HydrophobicContact CG-CE2 3.9Å; W318-F357 HydrophobicContact CH2-CE2 4.13Å; W318-F357 HydrophobicContact CH2-CZ 4.34Å; W318-F357 AromaticContact CZ2-CE2 3.85Å; W318-F357 HydrophobicContact CZ2-CE2 3.85Å; W318-F357 AromaticContact CZ2-CZ 3.97Å; W318-F357 HydrophobicContact CZ2-CZ 3.97Å; W318-F357 HydrophobicContact CZ3-CE2 4.11Å; W318-F357 AromaticContact NE1-CE2 3.9Å; W318-T492 HydrophobicContact CH2-CG2 3.91Å; W318-T492 HydrophobicContact CZ3-CG2 3.84Å |
| 319 | W | 96.2 | Very high | 79.8 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143.9 | -176.6 | -66.7 | 84.9 | 0 | 0 | 0 | 110.3 | I242 F243 L277 F279 L298 L299 F317 I353 I355 | I242-W319 HydrophobicContact CG2-CH2 4.33Å; I242-W319 HydrophobicContact CG2-CZ3 3.98Å; F243-W319 HydrophobicContact CZ-CH2 4.35Å; F243-W319 HydrophobicContact CZ-CZ3 4.41Å; L277-W319 HydrophobicContact CB-CD2 3.95Å; L277-W319 HydrophobicContact CB-CE3 3.68Å; L277-W319 HydrophobicContact CB-CH2 4.37Å; L277-W319 HydrophobicContact CB-CZ3 3.92Å; L277-W319 HydrophobicContact CD2-CH2 3.74Å; L277-W319 HydrophobicContact CD2-CZ2 3.81Å; L277-W319 HydrophobicContact CD2-CZ3 4.12Å; L277-W319 WeakPolarHBondContact O-CA 3.43Å; F279-W319 HydrophobicContact CB-CE3 4.14Å; F279-W319 HydrophobicContact CB-CZ3 4.02Å; F279-W319 HydrophobicContact CD1-CE3 4.01Å; F279-W319 HydrophobicContact CG-CE3 4.29Å; L298-W319 HydrophobicContact CB-CH2 4.26Å; L299-W319 HydrophobicContact CD2-CH2 4.22Å; L299-W319 HydrophobicContact CD2-CZ2 4.46Å; F317-W319 VanDerWaalsContact O-CD1 3.29Å; W319-I353 HydrophobicContact CB-CG2 3.59Å; W319-I353 HydrophobicContact CD2-CG2 3.7Å; W319-I353 HydrophobicContact CE3-CG2 3.97Å; W319-I353 HydrophobicContact CG-CG2 3.54Å; W319-I353 HydrophobicContact CZ3-CD1 4.49Å; W319-I355 HydrophobicContact CB-CD1 3.67Å |
| 320 | F | 97.5 | Very high | 82 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.9 | 171.3 | 64.5 | -86.3 | 0 | 0 | 0 | 111.3 | D238 D240 N276 L277 G278 F279 H322 Y359 V361 | D238-F320 HydrophobicContact CB-CE1 3.94Å; D238-F320 HydrophobicContact CB-CZ 3.9Å; D240-F320 WeakPolarHBondContact OD1-CZ 3.34Å; N276-F320 HydrophobicContact CB-CD1 4.38Å; N276-F320 HydrophobicContact CB-CE1 4.31Å; N276-F320 VanDerWaalsContact CG-CD1 3.43Å; N276-F320 WeakPolarHBondContact ND2-CD1 3.42Å; N276-F320 WeakPolarHBondContact O-CE1 3.19Å; N276-F320 WeakPolarHBondContact OD1-CD1 3.42Å; L277-F320 VanDerWaalsContact C-CE1 3.49Å; L277-F320 PolarHBondContact O-N 3.06Å; G278-F320 WeakPolarHBondContact CA-O 3.43Å; F279-F320 WeakPolarHBondContact CD1-O 3.26Å; F279-F320 WeakPolarHBondContact CE1-O 3.38Å; F279-F320 PolarHBondContact N-O 2.82Å; F320-H322 AromaticContact CE2-CE1 3.65Å; F320-H322 AromaticContact CE2-NE2 3.87Å; F320-Y359 HydrophobicContact CB-CD1 3.74Å; F320-Y359 HydrophobicContact CB-CE1 4.34Å; F320-Y359 WeakPolarHBondContact CB-O 3.26Å; F320-Y359 HydrophobicContact CD1-CD1 4.18Å; F320-Y359 HydrophobicContact CD1-CE1 4.08Å; F320-Y359 HydrophobicContact CD2-CD1 4.43Å; F320-Y359 HydrophobicContact CD2-CE1 4.24Å; F320-Y359 HydrophobicContact CE1-CE1 4.4Å; F320-Y359 AromaticContact CG-CD1 3.87Å; F320-Y359 HydrophobicContact CG-CD1 3.87Å; F320-Y359 AromaticContact CG-CE1 3.96Å; F320-Y359 HydrophobicContact CG-CE1 3.96Å; F320-V361 HydrophobicContact CD2-CB 4.22Å; F320-V361 HydrophobicContact CD2-CG2 3.97Å; F320-V361 HydrophobicContact CE2-CB 3.81Å; F320-V361 HydrophobicContact CE2-CG2 3.65Å; F320-V361 HydrophobicContact CZ-CG2 4.34Å |
| 321 | P | 97.4 | Very high | 84 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 138.7 | -176.7 | 32.7 | -34.1 | 0 | 0 | 0 | 112.5 | F279 Y359 A360 W383 | F279-P321 HydrophobicContact CE1-CB 4.03Å; F279-P321 HydrophobicContact CZ-CB 4.15Å; P321-Y359 WeakPolarHBondContact CD-O 3.36Å; P321-A360 HydrophobicContact CG-CB 3.94Å; P321-W383 HydrophobicContact CB-CD2 4.08Å; P321-W383 HydrophobicContact CB-CE3 4.41Å; P321-W383 HydrophobicContact CB-CH2 3.85Å; P321-W383 HydrophobicContact CB-CZ2 3.47Å; P321-W383 VanDerWaalsContact CB-CZ2 3.47Å; P321-W383 HydrophobicContact CB-CZ3 4.33Å; P321-W383 HydrophobicContact CG-CD2 3.66Å; P321-W383 HydrophobicContact CG-CE3 3.97Å; P321-W383 HydrophobicContact CG-CG 4.05Å; P321-W383 HydrophobicContact CG-CH2 4.29Å; P321-W383 HydrophobicContact CG-CZ2 4.03Å; P321-W383 HydrophobicContact CG-CZ3 4.29Å |
| 322 | H | 95.7 | Very high | 86.2 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | trans | -96.4 | -169.7 | 153 | -69.8 | -54.7 | 0 | 0 | 0 | 110.1 | D240 D241 G278 F279 C280 F320 N344 V361 P363 | D240-H322 IonicContact OD1-CE1 2.69Å; D240-H322 IonicContact OD1-NE2 3.98Å; D241-H322 PolarHBondContact N-NE2 3.49Å; G278-H322 PolarHBondContact O-CD2 3.1Å; F279-H322 WeakPolarHBondContact O-CB 3.42Å; F279-H322 PolarHBondContact O-N 2.81Å; F279-H322 VanDerWaalsContact O-N 3.14Å; C280-H322 WeakPolarHBondContact SG-CB 3.39Å; F320-H322 AromaticContact CE2-CE1 3.65Å; F320-H322 AromaticContact CE2-NE2 3.87Å; H322-N344 PolarHBondContact O-ND2 2.82Å; H322-V361 PolarHBondContact ND1-O 3.16Å; H322-P363 HydrophobicContact CB-CG 4.09Å | ||
| 323 | H | 93.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | trans | -79.5 | 146.2 | 170 | -67.4 | -53.7 | 0 | 0 | 0 | 111.9 | C280 R325 H326 A327 L337 P363 | C280-H323 PolarHBondContact SG-O 3.39Å; H323-R325 VanDerWaalsContact C-N 3.27Å; H323-R325 PolarHBondContact O-N 3.22Å; H323-H326 PolarHBondContact O-N 3.01Å; H323-A327 PolarHBondContact CD2-O 3.2Å; H323-A327 VanDerWaalsContact CD2-O 3.3Å; H323-L337 VanDerWaalsContact CE1-CD2 3.45Å; H323-L337 WeakPolarHBondContact CE1-CD2 3.47Å; H323-P363 HydrophobicContact CB-CG 4.21Å | ||
| 324 | W | 95.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 16% | 0.163 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -45.3 | -175.8 | 172 | -122.1 | 0 | 0 | 0 | 114.4 | R282 S340 Q343 N344 F347 | R282-W324 HydrophobicContact CB-CD2 3.74Å; R282-W324 HydrophobicContact CB-CE3 4.18Å; R282-W324 HydrophobicContact CB-CG 4.17Å; R282-W324 HydrophobicContact CB-CH2 4.38Å; R282-W324 HydrophobicContact CB-CZ2 3.97Å; R282-W324 HydrophobicContact CB-CZ3 4.48Å; R282-W324 WeakPolarHBondContact CB-O 3.23Å; R282-W324 VanDerWaalsContact N-CE3 3.29Å; R282-W324 PolarHBondContact N-O 3.42Å; W324-S340 WeakPolarHBondContact CB-O 3.47Å; W324-S340 PolarHBondContact N-OG 3.23Å; W324-Q343 HydrophobicContact CB-CB 4.11Å; W324-Q343 HydrophobicContact CD2-CB 3.87Å; W324-Q343 HydrophobicContact CE3-CB 4.28Å; W324-Q343 HydrophobicContact CG-CB 3.8Å; W324-N344 HydrophobicContact CB-CB 4.26Å; W324-N344 HydrophobicContact CE3-CB 4.33Å; W324-F347 HydrophobicContact CE3-CB 4.49Å; W324-F347 HydrophobicContact CH2-CB 4.46Å; W324-F347 HydrophobicContact CH2-CD2 4.38Å; W324-F347 HydrophobicContact CZ3-CB 3.67Å; W324-F347 HydrophobicContact CZ3-CD2 4.05Å; W324-F347 AromaticContact CZ3-CG 3.95Å; W324-F347 HydrophobicContact CZ3-CG 3.95Å |
| 325 | R | 94.5 | Very high | 92.5 | Very high | 163 Ų | 163 | 49.1 Ų | 49.1 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 15.9 | -178.6 | -60.4 | -172.2 | 173.4 | -176.4 | -1.2 | 114.6 | R282 H323 A327 | R282-R325 HydrophobicContact CG-CG 4.24Å; H323-R325 VanDerWaalsContact C-N 3.27Å; H323-R325 PolarHBondContact O-N 3.22Å; R325-A327 PolarHBondContact O-N 3.33Å |
| 326 | H | 93.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | trans | 55.1 | 33.7 | -173.2 | -167.2 | 82 | 0 | 0 | 0 | 112.5 | D241 V244 F283 H323 H364 | D241-H326 VanDerWaalsContact CG-CE1 3.44Å; D241-H326 IonicContact OD1-CE1 3.27Å; D241-H326 PolarHBondContact OD1-CE1 3.08Å; D241-H326 IonicContact OD1-ND1 3.47Å; D241-H326 PolarHBondContact OD1-ND1 2.99Å; D241-H326 IonicContact OD1-NE2 3Å; D241-H326 IonicContact OD2-CE1 3.79Å; D241-H326 PolarHBondContact OD2-CE1 3.48Å; V244-H326 HydrophobicContact CG1-CB 4.28Å; V244-H326 HydrophobicContact CG2-CB 4.38Å; F283-H326 HydrophobicContact CE2-CB 4.16Å; H323-H326 PolarHBondContact O-N 3.01Å; H326-H364 AromaticContact CD2-NE2 3.86Å; H326-H364 AromaticContact NE2-CD2 3.97Å; H326-H364 AromaticContact NE2-CE1 3.91Å; H326-H364 AromaticContact NE2-NE2 3.54Å | ||
| 327 | A | 93.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | trans | -79.1 | 150.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H323 R325 M332 | H323-A327 PolarHBondContact CD2-O 3.2Å; H323-A327 VanDerWaalsContact CD2-O 3.3Å; R325-A327 PolarHBondContact O-N 3.33Å; A327-M332 HydrophobicContact CB-CE 3.69Å; A327-M332 HydrophobicContact CB-SD 3.92Å | ||
| 328 | K | 94.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -73.5 | 128.2 | 174.9 | -61.7 | -179.4 | -172.4 | 178.8 | 0 | 110.2 | H330 Q331 H364 | K328-H330 PolarHBondContact O-N 3.03Å; K328-Q331 HydrophobicContact CB-CG 4.21Å; K328-Q331 PolarHBondContact O-N 3.44Å; K328-Q331 VanDerWaalsContact O-N 3.14Å; K328-H364 HydrophobicContact CG-CB 4.5Å | ||
| 329 | A | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -60.8 | -41 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q331 M332 L337 S366 H372 L375 | A329-Q331 PolarHBondContact O-N 3.48Å; A329-Q331 VanDerWaalsContact O-N 3.14Å; A329-M332 PolarHBondContact O-N 2.93Å; A329-L337 HydrophobicContact CB-CD2 4.12Å; A329-S366 VanDerWaalsContact CB-O 3.27Å; A329-S366 WeakPolarHBondContact CB-O 3.39Å; A329-H372 PolarHBondContact O-CD2 3.23Å; A329-H372 PolarHBondContact O-NE2 3.48Å; A329-L375 HydrophobicContact CB-CB 4.27Å; A329-L375 HydrophobicContact CB-CD1 3.9Å; A329-L375 HydrophobicContact CB-CD2 3.84Å; A329-L375 HydrophobicContact CB-CG 4.22Å |
| 330 | H | 92.7 | Very high | 95.3 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -64.1 | -15.8 | -180 | 72.2 | -71.3 | 0 | 0 | 0 | 114.6 | K328 M332 S366 A525 I526 | K328-H330 PolarHBondContact O-N 3.03Å; H330-M332 VanDerWaalsContact C-N 3.29Å; H330-S366 PolarHBondContact CE1-OG 3Å; H330-S366 VanDerWaalsContact CE1-OG 3.29Å; H330-S366 PolarHBondContact ND1-OG 2.9Å; H330-A525 PolarHBondContact CD2-O 3.4Å; H330-I526 HydrophobicContact CB-CG2 4.25Å; H330-I526 WeakPolarHBondContact CB-O 3.32Å |
| 331 | Q | 92.9 | Very high | 95.4 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -87.3 | -0.6 | 176.3 | -62.4 | -178.6 | -27.4 | 0 | 0 | 112.5 | K328 A329 | K328-Q331 HydrophobicContact CB-CG 4.21Å; K328-Q331 PolarHBondContact O-N 3.44Å; K328-Q331 VanDerWaalsContact O-N 3.14Å; A329-Q331 PolarHBondContact O-N 3.48Å; A329-Q331 VanDerWaalsContact O-N 3.14Å |
| 332 | M | 93.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -120.2 | 139.4 | -178.6 | -66.3 | -178.1 | -73.5 | 0 | 0 | 110.1 | A327 A329 H330 L337 H372 | A327-M332 HydrophobicContact CB-CE 3.69Å; A327-M332 HydrophobicContact CB-SD 3.92Å; A329-M332 PolarHBondContact O-N 2.93Å; H330-M332 VanDerWaalsContact C-N 3.29Å; M332-L337 HydrophobicContact CB-CD2 4.11Å; M332-L337 HydrophobicContact CB-CG 3.79Å; M332-L337 HydrophobicContact CE-CD2 3.59Å; M332-L337 HydrophobicContact CE-CG 4.45Å; M332-L337 HydrophobicContact SD-CD2 4.44Å; M332-H372 PolarHBondContact O-NE2 2.97Å |
| 333 | N | 93.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | trans | -76.9 | 173.6 | 166.9 | 70 | 27.8 | 0 | 0 | 0 | 110.6 | S335 S336 L337 | N333-S335 PolarHBondContact O-N 3.28Å; N333-S335 PolarHBondContact OD1-N 3.15Å; N333-S336 PolarHBondContact O-N 3Å; N333-S336 WeakPolarHBondContact OD1-CB 3.38Å; N333-S336 PolarHBondContact OD1-N 3.43Å; N333-S336 PolarHBondContact OD1-OG 3.42Å; N333-S336 VanDerWaalsContact OD1-OG 3.13Å; N333-L337 WeakPolarHBondContact O-CG 3.39Å; N333-L337 PolarHBondContact O-N 3.01Å | ||
| 334 | R | 94.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.9 | -48 | -178.8 | -167.8 | -173.9 | -171.3 | -76 | -0.6 | 112.9 | S336 L337 V338 A374 E377 E381 | R334-S336 PolarHBondContact O-N 3.13Å; R334-L337 WeakPolarHBondContact O-CB 3.37Å; R334-L337 PolarHBondContact O-N 2.75Å; R334-V338 WeakPolarHBondContact O-CG2 3.44Å; R334-V338 PolarHBondContact O-N 3.36Å; R334-A374 HydrophobicContact CB-CB 3.94Å; R334-A374 HydrophobicContact CG-CB 4.43Å; R334-E377 IonicContact NE-OE2 2.71Å; R334-E377 PolarHBondContact NE-OE2 2.93Å; R334-E377 VanDerWaalsContact NE-OE2 3.12Å; R334-E381 IonicContact CZ-OE2 2.9Å; R334-E381 IonicContact NH1-OE2 3.92Å; R334-E381 PolarHBondContact NH1-OE2 3.26Å; R334-E381 IonicContact NH2-OE2 2.87Å; R334-E381 PolarHBondContact NH2-OE2 2.99Å |
| 335 | S | 97.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 57.2 Ų | 57.2 | 64% | 0.643 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | -178.4 | -53 | 0 | 0 | 0 | 0 | 112.3 | N333 S339 | N333-S335 PolarHBondContact O-N 3.28Å; N333-S335 PolarHBondContact OD1-N 3.15Å; S335-S339 WeakPolarHBondContact O-CB 3.41Å; S335-S339 PolarHBondContact O-N 3.25Å |
| 336 | S | 96.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | N333 R334 S340 | N333-S336 PolarHBondContact O-N 3Å; N333-S336 WeakPolarHBondContact OD1-CB 3.38Å; N333-S336 PolarHBondContact OD1-N 3.43Å; N333-S336 PolarHBondContact OD1-OG 3.42Å; N333-S336 VanDerWaalsContact OD1-OG 3.13Å; R334-S336 PolarHBondContact O-N 3.13Å; S336-S340 VanDerWaalsContact O-CB 3.24Å; S336-S340 WeakPolarHBondContact O-CB 3.41Å; S336-S340 PolarHBondContact O-N 2.91Å |
| 337 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.6 | -77.8 | 162.3 | 0 | 0 | 0 | 111.3 | H323 A329 M332 N333 R334 S340 M341 A374 L375 A378 | H323-L337 VanDerWaalsContact CE1-CD2 3.45Å; H323-L337 WeakPolarHBondContact CE1-CD2 3.47Å; A329-L337 HydrophobicContact CB-CD2 4.12Å; M332-L337 HydrophobicContact CB-CD2 4.11Å; M332-L337 HydrophobicContact CB-CG 3.79Å; M332-L337 HydrophobicContact CE-CD2 3.59Å; M332-L337 HydrophobicContact CE-CG 4.45Å; M332-L337 HydrophobicContact SD-CD2 4.44Å; N333-L337 WeakPolarHBondContact O-CG 3.39Å; N333-L337 PolarHBondContact O-N 3.01Å; R334-L337 WeakPolarHBondContact O-CB 3.37Å; R334-L337 PolarHBondContact O-N 2.75Å; L337-S340 WeakPolarHBondContact O-CB 3.47Å; L337-S340 PolarHBondContact O-N 2.73Å; L337-M341 VanDerWaalsContact O-CG 3.31Å; L337-M341 WeakPolarHBondContact O-CG 3.38Å; L337-M341 PolarHBondContact O-N 2.8Å; L337-A374 HydrophobicContact CD1-CB 3.81Å; L337-L375 HydrophobicContact CD2-CD1 4.27Å; L337-A378 HydrophobicContact CB-CB 3.87Å |
| 338 | V | 98.2 | Very high | 96 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -52.9 | 178 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | R334 S340 M341 E342 A378 V382 | R334-V338 WeakPolarHBondContact O-CG2 3.44Å; R334-V338 PolarHBondContact O-N 3.36Å; V338-S340 VanDerWaalsContact C-N 3.29Å; V338-S340 PolarHBondContact O-N 3.1Å; V338-M341 WeakPolarHBondContact O-CB 3.47Å; V338-M341 PolarHBondContact O-N 3.14Å; V338-E342 HydrophobicContact CG1-CG 4.28Å; V338-E342 WeakPolarHBondContact O-CG 3.38Å; V338-E342 PolarHBondContact O-N 3.41Å; V338-A378 HydrophobicContact CG2-CB 3.81Å; V338-V382 HydrophobicContact CB-CG2 4.32Å; V338-V382 HydrophobicContact CG1-CG2 3.88Å; V338-V382 HydrophobicContact CG2-CG2 4.31Å |
| 339 | S | 97.9 | Very high | 96 | Very high | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 179.2 | -177 | 0 | 0 | 0 | 0 | 113.2 | S335 Q343 | S335-S339 WeakPolarHBondContact O-CB 3.41Å; S335-S339 PolarHBondContact O-N 3.25Å; S339-Q343 WeakPolarHBondContact O-CG 3.39Å; S339-Q343 PolarHBondContact O-N 3.45Å; S339-Q343 VanDerWaalsContact O-N 3.16Å; S339-Q343 PolarHBondContact O-NE2 2.86Å; S339-Q343 PolarHBondContact OG-NE2 3.17Å |
| 340 | S | 97.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | W324 S336 L337 V338 N344 | W324-S340 WeakPolarHBondContact CB-O 3.47Å; W324-S340 PolarHBondContact N-OG 3.23Å; S336-S340 VanDerWaalsContact O-CB 3.24Å; S336-S340 WeakPolarHBondContact O-CB 3.41Å; S336-S340 PolarHBondContact O-N 2.91Å; L337-S340 WeakPolarHBondContact O-CB 3.47Å; L337-S340 PolarHBondContact O-N 2.73Å; V338-S340 VanDerWaalsContact C-N 3.29Å; V338-S340 PolarHBondContact O-N 3.1Å; S340-N344 PolarHBondContact O-N 3.19Å |
| 341 | M | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.4 | -72 | -177.5 | -166.2 | 0 | 0 | 111.9 | L337 V338 Q343 N344 Y345 L375 A378 W379 V382 | L337-M341 VanDerWaalsContact O-CG 3.31Å; L337-M341 WeakPolarHBondContact O-CG 3.38Å; L337-M341 PolarHBondContact O-N 2.8Å; V338-M341 WeakPolarHBondContact O-CB 3.47Å; V338-M341 PolarHBondContact O-N 3.14Å; M341-Q343 VanDerWaalsContact C-N 3.35Å; M341-Q343 PolarHBondContact O-N 2.69Å; M341-N344 PolarHBondContact O-N 2.98Å; M341-N344 VanDerWaalsContact O-N 3.14Å; M341-Y345 WeakPolarHBondContact O-CB 3.34Å; M341-Y345 PolarHBondContact O-N 3.5Å; M341-L375 HydrophobicContact CE-CD1 3.85Å; M341-A378 HydrophobicContact CE-CB 3.68Å; M341-A378 VanDerWaalsContact SD-C 3.57Å; M341-A378 HydrophobicContact SD-CB 3.86Å; M341-W379 HydrophobicContact CE-CG 3.91Å; M341-V382 HydrophobicContact CB-CB 3.92Å; M341-V382 HydrophobicContact CB-CG1 3.67Å; M341-V382 HydrophobicContact CB-CG2 4.03Å; M341-V382 HydrophobicContact SD-CB 4.24Å; M341-V382 HydrophobicContact SD-CG2 4.38Å |
| 342 | E | 98 | Very high | 95.6 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.7 | -72.2 | 175.6 | 154 | 0 | 0 | 112.4 | V338 N344 Y345 N346 V382 | V338-E342 HydrophobicContact CG1-CG 4.28Å; V338-E342 WeakPolarHBondContact O-CG 3.38Å; V338-E342 PolarHBondContact O-N 3.41Å; E342-N344 VanDerWaalsContact C-N 3.31Å; E342-N344 PolarHBondContact O-N 3.34Å; E342-Y345 PolarHBondContact O-N 3.39Å; E342-N346 WeakPolarHBondContact O-CB 3.46Å; E342-N346 VanDerWaalsContact O-CG 3.29Å; E342-N346 PolarHBondContact O-N 3.17Å; E342-N346 PolarHBondContact O-ND2 2.73Å; E342-N346 VanDerWaalsContact O-ND2 3.15Å; E342-V382 HydrophobicContact CG-CG1 4.16Å; E342-V382 HydrophobicContact CG-CG2 4.37Å |
| 343 | Q | 98 | Very high | 95.5 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 173.9 | -74.7 | 171.7 | 55.8 | 0 | 0 | 111.3 | W324 S339 M341 F347 | W324-Q343 HydrophobicContact CB-CB 4.11Å; W324-Q343 HydrophobicContact CD2-CB 3.87Å; W324-Q343 HydrophobicContact CE3-CB 4.28Å; W324-Q343 HydrophobicContact CG-CB 3.8Å; S339-Q343 WeakPolarHBondContact O-CG 3.39Å; S339-Q343 PolarHBondContact O-N 3.45Å; S339-Q343 VanDerWaalsContact O-N 3.16Å; S339-Q343 PolarHBondContact O-NE2 2.86Å; S339-Q343 PolarHBondContact OG-NE2 3.17Å; M341-Q343 VanDerWaalsContact C-N 3.35Å; M341-Q343 PolarHBondContact O-N 2.69Å; Q343-F347 PolarHBondContact O-N 3.13Å |
| 344 | N | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.1 | -34.6 | 178.4 | -149.4 | 30.1 | 0 | 0 | 0 | 112 | F279 G281 H322 W324 S340 M341 E342 F347 A348 W383 | F279-N344 VanDerWaalsContact CE2-CG 3.48Å; F279-N344 WeakPolarHBondContact CE2-ND2 3.32Å; F279-N344 WeakPolarHBondContact CE2-OD1 3.42Å; F279-N344 PolarHBondContact O-ND2 2.96Å; F279-N344 VanDerWaalsContact O-ND2 3.1Å; G281-N344 PolarHBondContact N-OD1 3.06Å; H322-N344 PolarHBondContact O-ND2 2.82Å; W324-N344 HydrophobicContact CB-CB 4.26Å; W324-N344 HydrophobicContact CE3-CB 4.33Å; S340-N344 PolarHBondContact O-N 3.19Å; M341-N344 PolarHBondContact O-N 2.98Å; M341-N344 VanDerWaalsContact O-N 3.14Å; E342-N344 VanDerWaalsContact C-N 3.31Å; E342-N344 PolarHBondContact O-N 3.34Å; N344-F347 WeakPolarHBondContact O-CB 3.06Å; N344-F347 PolarHBondContact O-N 3.14Å; N344-A348 PolarHBondContact O-N 3.46Å; N344-W383 HydrophobicContact CB-CZ2 4.28Å |
| 345 | Y | 97 | Very high | 94.9 | Very high | 105 Ų | 105 | 60.4 Ų | 60.4 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 173.3 | -174.3 | -83.6 | 0 | 0 | 0 | 112 | M341 E342 F347 A348 K349 W383 | M341-Y345 WeakPolarHBondContact O-CB 3.34Å; M341-Y345 PolarHBondContact O-N 3.5Å; E342-Y345 PolarHBondContact O-N 3.39Å; Y345-F347 VanDerWaalsContact C-N 3.29Å; Y345-F347 PolarHBondContact O-N 3.41Å; Y345-A348 WeakPolarHBondContact O-CB 3.49Å; Y345-A348 PolarHBondContact O-N 2.99Å; Y345-A348 VanDerWaalsContact O-N 3.13Å; Y345-K349 PolarHBondContact O-N 3.43Å; Y345-W383 HydrophobicContact CD2-CD2 4.07Å; Y345-W383 AromaticContact CD2-CE3 3.6Å; Y345-W383 HydrophobicContact CD2-CE3 3.6Å; Y345-W383 AromaticContact CD2-CH2 3.76Å; Y345-W383 HydrophobicContact CD2-CH2 3.76Å; Y345-W383 HydrophobicContact CD2-CZ2 4.19Å; Y345-W383 AromaticContact CD2-CZ3 3.41Å; Y345-W383 HydrophobicContact CD2-CZ3 3.41Å; Y345-W383 VanDerWaalsContact CD2-CZ3 3.41Å; Y345-W383 HydrophobicContact CE2-CE3 4.16Å; Y345-W383 HydrophobicContact CE2-CZ3 4.08Å; Y345-W383 HydrophobicContact CG-CH2 4.16Å; Y345-W383 HydrophobicContact CG-CZ2 4.45Å; Y345-W383 HydrophobicContact CG-CZ3 4.25Å |
| 346 | N | 97.5 | Very high | 94.4 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 177.4 | -73.6 | -34.2 | 0 | 0 | 0 | 111.8 | E342 K350 | E342-N346 WeakPolarHBondContact O-CB 3.46Å; E342-N346 VanDerWaalsContact O-CG 3.29Å; E342-N346 PolarHBondContact O-N 3.17Å; E342-N346 PolarHBondContact O-ND2 2.73Å; E342-N346 VanDerWaalsContact O-ND2 3.15Å; N346-K350 VanDerWaalsContact O-CB 3.26Å; N346-K350 WeakPolarHBondContact O-CB 3.42Å; N346-K350 PolarHBondContact O-N 2.95Å |
| 347 | F | 96.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 58 Ų | 58 | 10% | 0.101 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 171.6 | 174.7 | -89 | 0 | 0 | 0 | 111.9 | F243 F279 F284 W324 Q343 N344 Y345 K349 K350 N351 I353 | F243-F347 HydrophobicContact CE2-CE1 4.06Å; F243-F347 HydrophobicContact CE2-CZ 4.21Å; F279-F347 HydrophobicContact CD2-CD1 4.14Å; F279-F347 HydrophobicContact CD2-CE1 4.22Å; F279-F347 HydrophobicContact CE2-CD1 4.02Å; F284-F347 HydrophobicContact CB-CE2 3.63Å; F284-F347 HydrophobicContact CB-CZ 3.52Å; F284-F347 HydrophobicContact CD1-CE2 4.06Å; F284-F347 HydrophobicContact CD1-CZ 4.23Å; F284-F347 AromaticContact CD2-CZ 3.94Å; F284-F347 HydrophobicContact CD2-CZ 3.94Å; F284-F347 AromaticContact CG-CE2 3.83Å; F284-F347 HydrophobicContact CG-CE2 3.83Å; F284-F347 AromaticContact CG-CZ 3.62Å; F284-F347 HydrophobicContact CG-CZ 3.62Å; W324-F347 HydrophobicContact CE3-CB 4.49Å; W324-F347 HydrophobicContact CH2-CB 4.46Å; W324-F347 HydrophobicContact CH2-CD2 4.38Å; W324-F347 HydrophobicContact CZ3-CB 3.67Å; W324-F347 HydrophobicContact CZ3-CD2 4.05Å; W324-F347 AromaticContact CZ3-CG 3.95Å; W324-F347 HydrophobicContact CZ3-CG 3.95Å; Q343-F347 PolarHBondContact O-N 3.13Å; N344-F347 WeakPolarHBondContact O-CB 3.06Å; N344-F347 PolarHBondContact O-N 3.14Å; Y345-F347 VanDerWaalsContact C-N 3.29Å; Y345-F347 PolarHBondContact O-N 3.41Å; F347-K349 PolarHBondContact O-N 3.45Å; F347-K350 PolarHBondContact O-N 2.6Å; F347-N351 WeakPolarHBondContact CD2-ND2 3.33Å; F347-N351 WeakPolarHBondContact CE2-ND2 3.27Å; F347-N351 WeakPolarHBondContact O-CB 3.34Å; F347-N351 PolarHBondContact O-N 2.99Å; F347-N351 PolarHBondContact O-ND2 3.26Å; F347-I353 HydrophobicContact CD1-CD1 4.12Å; F347-I353 HydrophobicContact CE1-CD1 3.66Å |
| 348 | A | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F279 N344 Y345 K350 N351 G352 I353 W383 | F279-A348 HydrophobicContact CE2-CB 4.12Å; F279-A348 HydrophobicContact CZ-CB 3.81Å; N344-A348 PolarHBondContact O-N 3.46Å; Y345-A348 WeakPolarHBondContact O-CB 3.49Å; Y345-A348 PolarHBondContact O-N 2.99Å; Y345-A348 VanDerWaalsContact O-N 3.13Å; A348-K350 PolarHBondContact O-N 3.27Å; A348-N351 CarbonylContact O-C 3.55Å; A348-N351 PolarHBondContact O-N 3.21Å; A348-G352 PolarHBondContact O-N 3.17Å; A348-I353 HydrophobicContact CB-CB 3.96Å; A348-I353 HydrophobicContact CB-CG2 4.35Å; A348-I353 PolarHBondContact O-N 2.81Å; A348-W383 HydrophobicContact CB-CH2 4.29Å |
| 349 | K | 93.9 | Very high | 94.3 | Very high | 159 Ų | 159 | 59 Ų | 59 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.5 | -48.6 | 176.7 | -174.8 | 178.4 | 179.6 | -179.8 | 0 | 112.2 | Y345 F347 N351 G352 | Y345-K349 PolarHBondContact O-N 3.43Å; F347-K349 PolarHBondContact O-N 3.45Å; K349-N351 PolarHBondContact O-N 3.3Å; K349-G352 PolarHBondContact O-N 2.92Å |
| 350 | K | 93.5 | Very high | 94.3 | Very high | 181 Ų | 181 | 56.5 Ų | 56.5 | 79% | 0.787 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.1 | -32.5 | 179 | -179.1 | 178.8 | 178.6 | 178.8 | 0 | 112.5 | N346 F347 A348 | N346-K350 VanDerWaalsContact O-CB 3.26Å; N346-K350 WeakPolarHBondContact O-CB 3.42Å; N346-K350 PolarHBondContact O-N 2.95Å; F347-K350 PolarHBondContact O-N 2.6Å; A348-K350 PolarHBondContact O-N 3.27Å |
| 351 | N | 90.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -102.1 | 4.9 | -174 | -70.7 | -73.5 | 0 | 0 | 0 | 114 | L299 K301 F347 A348 K349 I353 | L299-N351 HydrophobicContact CD1-CB 3.96Å; K301-N351 PolarHBondContact NZ-OD1 2.96Å; F347-N351 WeakPolarHBondContact CD2-ND2 3.33Å; F347-N351 WeakPolarHBondContact CE2-ND2 3.27Å; F347-N351 WeakPolarHBondContact O-CB 3.34Å; F347-N351 PolarHBondContact O-N 2.99Å; F347-N351 PolarHBondContact O-ND2 3.26Å; A348-N351 CarbonylContact O-C 3.55Å; A348-N351 PolarHBondContact O-N 3.21Å; K349-N351 PolarHBondContact O-N 3.3Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 4.5Å; N351-I353 HydrophobicContact CB-CG1 4.49Å; N351-I353 PolarHBondContact O-N 2.55Å |
| 352 | G | 88.3 | Confident | 94.3 | Very high | 56 Ų | 56 | 56 Ų | 56 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 19 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A348 K349 K354 | A348-G352 PolarHBondContact O-N 3.17Å; K349-G352 PolarHBondContact O-N 2.92Å; G352-K354 PolarHBondContact O-N 3.19Å |
| 353 | I | 90.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | trans | -71.4 | 113.9 | 173.8 | -64.9 | 165.4 | 0 | 0 | 0 | 108 | F279 L299 W319 F347 A348 N351 I355 | F279-I353 HydrophobicContact CD1-CG2 4.46Å; F279-I353 HydrophobicContact CD2-CD1 4.08Å; F279-I353 HydrophobicContact CE1-CG2 4.21Å; F279-I353 HydrophobicContact CE2-CD1 4.24Å; F279-I353 HydrophobicContact CG-CD1 4.36Å; L299-I353 HydrophobicContact CD2-CD1 3.73Å; L299-I353 HydrophobicContact CD2-CG1 3.52Å; W319-I353 HydrophobicContact CB-CG2 3.59Å; W319-I353 HydrophobicContact CD2-CG2 3.7Å; W319-I353 HydrophobicContact CE3-CG2 3.97Å; W319-I353 HydrophobicContact CG-CG2 3.54Å; W319-I353 HydrophobicContact CZ3-CD1 4.49Å; F347-I353 HydrophobicContact CD1-CD1 4.12Å; F347-I353 HydrophobicContact CE1-CD1 3.66Å; A348-I353 HydrophobicContact CB-CB 3.96Å; A348-I353 HydrophobicContact CB-CG2 4.35Å; A348-I353 PolarHBondContact O-N 2.81Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 4.5Å; N351-I353 HydrophobicContact CB-CG1 4.49Å; N351-I353 PolarHBondContact O-N 2.55Å; I353-I355 HydrophobicContact CG2-CD1 3.78Å | ||
| 354 | K | 84.1 | Confident | 93.8 | Very high | 172 Ų | 172 | 52.5 Ų | 52.5 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | trans | -91.5 | 109.2 | 178.5 | -65.4 | -176.8 | -177.9 | 179.3 | 0 | 110 | G352 A356 | G352-K354 PolarHBondContact O-N 3.19Å; K354-A356 PolarHBondContact O-N 3.4Å; K354-A356 VanDerWaalsContact O-N 3.16Å | ||
| 355 | I | 91.2 | Very high | 93.6 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | trans | -79.8 | 94.2 | 168.8 | -50.5 | -51.7 | 0 | 0 | 0 | 107.5 | F279 W319 I353 F357 W383 | F279-I355 HydrophobicContact CE1-CD1 3.58Å; F279-I355 HydrophobicContact CZ-CD1 4.23Å; W319-I355 HydrophobicContact CB-CD1 3.67Å; I353-I355 HydrophobicContact CG2-CD1 3.78Å; I355-F357 VanDerWaalsContact C-N 3.27Å; I355-F357 WeakPolarHBondContact CG2-O 3.26Å; I355-F357 PolarHBondContact O-N 2.75Å; I355-W383 HydrophobicContact CG1-CE3 4.35Å; I355-W383 HydrophobicContact CG1-CH2 4.38Å; I355-W383 HydrophobicContact CG1-CZ3 3.66Å | ||
| 356 | A | 86.6 | Confident | 93.5 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | trans | -73.2 | -19.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K354 | K354-A356 PolarHBondContact O-N 3.4Å; K354-A356 VanDerWaalsContact O-N 3.16Å | ||
| 357 | F | 95.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 18% | 0.18 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -138.1 | 150.5 | -172.7 | -52.3 | -66.9 | 0 | 0 | 0 | 111.5 | W318 I355 Y359 P494 P495 | W318-F357 HydrophobicContact CD2-CD2 4.26Å; W318-F357 AromaticContact CD2-CE2 3.49Å; W318-F357 HydrophobicContact CD2-CE2 3.49Å; W318-F357 VanDerWaalsContact CD2-CE2 3.49Å; W318-F357 HydrophobicContact CD2-CZ 4.41Å; W318-F357 AromaticContact CE2-CE2 3.51Å; W318-F357 AromaticContact CE2-CZ 3.99Å; W318-F357 HydrophobicContact CE3-CD2 4.31Å; W318-F357 AromaticContact CE3-CE2 3.8Å; W318-F357 HydrophobicContact CE3-CE2 3.8Å; W318-F357 AromaticContact CG-CE2 3.9Å; W318-F357 HydrophobicContact CG-CE2 3.9Å; W318-F357 HydrophobicContact CH2-CE2 4.13Å; W318-F357 HydrophobicContact CH2-CZ 4.34Å; W318-F357 AromaticContact CZ2-CE2 3.85Å; W318-F357 HydrophobicContact CZ2-CE2 3.85Å; W318-F357 AromaticContact CZ2-CZ 3.97Å; W318-F357 HydrophobicContact CZ2-CZ 3.97Å; W318-F357 HydrophobicContact CZ3-CE2 4.11Å; W318-F357 AromaticContact NE1-CE2 3.9Å; I355-F357 VanDerWaalsContact C-N 3.27Å; I355-F357 WeakPolarHBondContact CG2-O 3.26Å; I355-F357 PolarHBondContact O-N 2.75Å; F357-Y359 PolarHBondContact O-N 3.43Å; F357-P494 HydrophobicContact CD1-CB 3.82Å; F357-P494 HydrophobicContact CE1-CB 3.44Å; F357-P494 VanDerWaalsContact CE1-CB 3.44Å; F357-P494 HydrophobicContact CE1-CG 3.74Å; F357-P494 HydrophobicContact CZ-CB 3.81Å; F357-P494 HydrophobicContact CZ-CG 3.87Å; F357-P495 HydrophobicContact CB-CG 4.22Å; F357-P495 VanDerWaalsContact CD2-CD 3.42Å; F357-P495 HydrophobicContact CD2-CG 4.08Å; F357-P495 HydrophobicContact CG-CG 4.29Å |
| 358 | P | 97.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 42 Ų | 42 | 20% | 0.195 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -76.1 | 57.1 | 178.2 | 33.7 | -37.2 | 0 | 0 | 0 | 111.6 | N384 Q386 V387 | P358-N384 WeakPolarHBondContact CB-O 3.35Å; P358-Q386 HydrophobicContact CB-CB 4.03Å; P358-Q386 HydrophobicContact CB-CG 3.94Å; P358-Q386 HydrophobicContact CG-CB 3.95Å; P358-Q386 HydrophobicContact CG-CG 4.03Å; P358-Q386 PolarHBondContact O-N 2.91Å; P358-V387 PolarHBondContact O-N 2.93Å |
| 359 | Y | 98.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -121.5 | 136 | -176.7 | 178.2 | -108.4 | 0 | 0 | 0 | 111 | Q236 D238 F320 P321 F357 V361 V387 S389 R415 P495 | Q236-Y359 PolarHBondContact NE2-OH 2.95Å; D238-Y359 VanDerWaalsContact OD2-CE1 3.29Å; D238-Y359 WeakPolarHBondContact OD2-CE1 3.47Å; D238-Y359 VanDerWaalsContact OD2-CZ 3.31Å; D238-Y359 PolarHBondContact OD2-OH 3.35Å; F320-Y359 HydrophobicContact CB-CD1 3.74Å; F320-Y359 HydrophobicContact CB-CE1 4.34Å; F320-Y359 WeakPolarHBondContact CB-O 3.26Å; F320-Y359 HydrophobicContact CD1-CD1 4.18Å; F320-Y359 HydrophobicContact CD1-CE1 4.08Å; F320-Y359 HydrophobicContact CD2-CD1 4.43Å; F320-Y359 HydrophobicContact CD2-CE1 4.24Å; F320-Y359 HydrophobicContact CE1-CE1 4.4Å; F320-Y359 AromaticContact CG-CD1 3.87Å; F320-Y359 HydrophobicContact CG-CD1 3.87Å; F320-Y359 AromaticContact CG-CE1 3.96Å; F320-Y359 HydrophobicContact CG-CE1 3.96Å; P321-Y359 WeakPolarHBondContact CD-O 3.36Å; F357-Y359 PolarHBondContact O-N 3.43Å; Y359-V361 HydrophobicContact CE1-CG2 3.79Å; Y359-V361 HydrophobicContact CE2-CG2 4.39Å; Y359-V361 WeakPolarHBondContact OH-CG2 3.46Å; Y359-V387 VanDerWaalsContact CA-O 3.29Å; Y359-V387 WeakPolarHBondContact CA-O 3.39Å; Y359-V387 HydrophobicContact CD2-CB 3.89Å; Y359-V387 HydrophobicContact CD2-CG1 3.75Å; Y359-V387 WeakPolarHBondContact CD2-O 3.36Å; Y359-V387 HydrophobicContact CE2-CG1 4.17Å; Y359-S389 PolarHBondContact OH-OG 3.34Å; Y359-R415 PolarHBondContact OH-NH1 3.19Å; Y359-P495 HydrophobicContact CD1-CG 4.45Å; Y359-P495 HydrophobicContact CD2-CB 4.08Å; Y359-P495 HydrophobicContact CG-CB 3.89Å; Y359-P495 HydrophobicContact CG-CG 4.26Å |
| 360 | A | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -147.8 | 161.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P321 W379 I385 V387 T388 | P321-A360 HydrophobicContact CG-CB 3.94Å; A360-W379 HydrophobicContact CB-CZ2 4.34Å; A360-I385 HydrophobicContact CB-CD1 3.56Å; A360-I385 HydrophobicContact CB-CG1 3.77Å; A360-I385 HydrophobicContact CB-CG2 4.29Å; A360-V387 PolarHBondContact N-O 3.35Å; A360-T388 VanDerWaalsContact O-CA 3.31Å; A360-T388 WeakPolarHBondContact O-CA 3.27Å; A360-T388 WeakPolarHBondContact O-CB 3.43Å; A360-T388 PolarHBondContact O-OG1 3.36Å | ||
| 361 | V | 97.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | trans | -135.1 | 129.6 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | F320 H322 Y359 H365 | F320-V361 HydrophobicContact CD2-CB 4.22Å; F320-V361 HydrophobicContact CD2-CG2 3.97Å; F320-V361 HydrophobicContact CE2-CB 3.81Å; F320-V361 HydrophobicContact CE2-CG2 3.65Å; F320-V361 HydrophobicContact CZ-CG2 4.34Å; H322-V361 PolarHBondContact ND1-O 3.16Å; Y359-V361 HydrophobicContact CE1-CG2 3.79Å; Y359-V361 HydrophobicContact CE2-CG2 4.39Å; Y359-V361 WeakPolarHBondContact OH-CG2 3.46Å; V361-H365 WeakPolarHBondContact CG1-CE1 3.4Å | ||
| 362 | A | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | trans | -76.4 | 135.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | H364 H365 V368 L375 W379 | A362-H364 PolarHBondContact O-N 3.18Å; A362-H365 WeakPolarHBondContact O-CA 3.2Å; A362-H365 PolarHBondContact O-N 3.16Å; A362-V368 HydrophobicContact CB-CG2 3.93Å; A362-L375 HydrophobicContact CB-CD2 3.94Å; A362-W379 HydrophobicContact CB-CH2 4.14Å; A362-W379 HydrophobicContact CB-CZ2 3.83Å | ||
| 363 | P | 94.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -44.9 | 135.2 | 168 | -31.2 | 36.3 | 0 | 0 | 0 | 112.5 | H322 H323 H365 S366 | H322-P363 HydrophobicContact CB-CG 4.09Å; H323-P363 HydrophobicContact CB-CG 4.21Å; P363-H365 PolarHBondContact O-N 3.43Å; P363-H365 VanDerWaalsContact O-N 3.13Å; P363-S366 PolarHBondContact O-N 2.83Å |
| 364 | H | 92.4 | Very high | 94.1 | Very high | 91 Ų | 91 | 27.6 Ų | 27.6 | 42% | 0.421 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | 56.4 | 19.8 | -175.1 | -50.2 | -86 | 0 | 0 | 0 | 114.8 | H326 K328 A362 S366 R522 | H326-H364 AromaticContact CD2-NE2 3.86Å; H326-H364 AromaticContact NE2-CD2 3.97Å; H326-H364 AromaticContact NE2-CE1 3.91Å; H326-H364 AromaticContact NE2-NE2 3.54Å; K328-H364 HydrophobicContact CG-CB 4.5Å; A362-H364 PolarHBondContact O-N 3.18Å; H364-S366 PolarHBondContact O-N 3.29Å; H364-R522 PolarHBondContact O-NH2 3.49Å |
| 365 | H | 92.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | 52.5 | 19.5 | -172.7 | -65.5 | -74.4 | 0 | 0 | 0 | 114.7 | V361 A362 P363 G367 V368 S389 E391 E392 R415 M459 | V361-H365 WeakPolarHBondContact CG1-CE1 3.4Å; A362-H365 WeakPolarHBondContact O-CA 3.2Å; A362-H365 PolarHBondContact O-N 3.16Å; P363-H365 PolarHBondContact O-N 3.43Å; P363-H365 VanDerWaalsContact O-N 3.13Å; H365-G367 PolarHBondContact O-N 2.71Å; H365-V368 PolarHBondContact O-N 2.87Å; H365-S389 PolarHBondContact ND1-O 3.23Å; H365-S389 VanDerWaalsContact ND1-O 3.16Å; H365-E391 IonicContact CD2-OE1 3.68Å; H365-E392 HydrophobicContact CB-CG 3.96Å; H365-R415 WeakPolarHBondContact CE1-CD 3.2Å; H365-M459 WeakPolarHBondContact CD2-CE 2.91Å; H365-M459 WeakPolarHBondContact NE2-CE 3.42Å |
| 366 | S | 93.8 | Very high | 95 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 130.8 | -166.1 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | A329 H330 P363 H364 V368 | A329-S366 VanDerWaalsContact CB-O 3.27Å; A329-S366 WeakPolarHBondContact CB-O 3.39Å; H330-S366 PolarHBondContact CE1-OG 3Å; H330-S366 VanDerWaalsContact CE1-OG 3.29Å; H330-S366 PolarHBondContact ND1-OG 2.9Å; P363-S366 PolarHBondContact O-N 2.83Å; H364-S366 PolarHBondContact O-N 3.29Å; S366-V368 PolarHBondContact O-N 2.03Å |
| 367 | G | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -2.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H365 P370 T371 H372 Y376 | H365-G367 PolarHBondContact O-N 2.71Å; G367-P370 CarbonylContact C-O 3.53Å; G367-P370 WeakPolarHBondContact CA-O 3.35Å; G367-T371 WeakPolarHBondContact O-CA 3.01Å; G367-H372 PolarHBondContact O-N 3.46Å; G367-Y376 WeakPolarHBondContact O-CE2 3.23Å |
| 368 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -49.5 | 167.9 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | A362 H365 S366 T371 L375 Y376 W379 T388 T390 V412 | A362-V368 HydrophobicContact CB-CG2 3.93Å; H365-V368 PolarHBondContact O-N 2.87Å; S366-V368 PolarHBondContact O-N 2.03Å; V368-T371 WeakPolarHBondContact O-CG2 3.48Å; V368-L375 HydrophobicContact CG2-CD2 4.32Å; V368-Y376 PolarHBondContact O-OH 2.92Å; V368-W379 HydrophobicContact CG2-CH2 3.71Å; V368-W379 HydrophobicContact CG2-CZ3 4.35Å; V368-T388 HydrophobicContact CG1-CG2 3.85Å; V368-T390 HydrophobicContact CG1-CG2 3.94Å; V368-V412 HydrophobicContact CG1-CG1 3.78Å; V368-V412 HydrophobicContact CG1-CG2 4.47Å |
| 369 | Y | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | 131.9 | 167.8 | -174.1 | -95.7 | 0 | 0 | 0 | 110.7 | Y393 P394 F405 V513 W514 G515 H523 | Y369-Y393 AromaticContact CD1-CD2 3.86Å; Y369-Y393 HydrophobicContact CD1-CD2 3.86Å; Y369-Y393 HydrophobicContact CD1-CG 4.39Å; Y369-Y393 AromaticContact CD2-CD2 3.39Å; Y369-Y393 HydrophobicContact CD2-CD2 3.39Å; Y369-Y393 HydrophobicContact CD2-CE2 4.11Å; Y369-Y393 HydrophobicContact CD2-CG 4.1Å; Y369-Y393 AromaticContact CE1-CD2 3.76Å; Y369-Y393 HydrophobicContact CE1-CD2 3.76Å; Y369-Y393 AromaticContact CE2-CD2 3.28Å; Y369-Y393 HydrophobicContact CE2-CD2 3.28Å; Y369-Y393 AromaticContact CE2-CE2 3.64Å; Y369-Y393 HydrophobicContact CE2-CE2 3.64Å; Y369-Y393 HydrophobicContact CE2-CG 4.39Å; Y369-Y393 AromaticContact CG-CD2 3.68Å; Y369-Y393 HydrophobicContact CG-CD2 3.68Å; Y369-Y393 HydrophobicContact CG-CG 4.1Å; Y369-Y393 AromaticContact CZ-CD2 3.47Å; Y369-Y393 VanDerWaalsContact CZ-CD2 3.47Å; Y369-Y393 AromaticContact CZ-CE2 3.91Å; Y369-P394 WeakPolarHBondContact CE1-O 3.18Å; Y369-F405 HydrophobicContact CD2-CE1 4.36Å; Y369-F405 HydrophobicContact CD2-CZ 4.2Å; Y369-V513 PolarHBondContact OH-O 2.92Å; Y369-W514 HydrophobicContact CD2-CZ3 4.17Å; Y369-W514 AromaticContact CE2-CE3 3.77Å; Y369-W514 HydrophobicContact CE2-CE3 3.77Å; Y369-W514 AromaticContact CE2-CZ3 3.85Å; Y369-W514 HydrophobicContact CE2-CZ3 3.85Å; Y369-G515 PolarHBondContact OH-N 2.99Å; Y369-H523 AromaticContact CE1-CE1 3.76Å |
| 370 | P | 94.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -51 | 152.4 | -16.4 | -24.2 | 34 | 0 | 0 | 0 | 111.9 | G367 H372 H523 I526 L527 | G367-P370 CarbonylContact C-O 3.53Å; G367-P370 WeakPolarHBondContact CA-O 3.35Å; P370-H372 PolarHBondContact O-N 2.84Å; P370-H523 HydrophobicContact CG-CB 3.62Å; P370-I526 HydrophobicContact CB-CG2 4.46Å; P370-I526 WeakPolarHBondContact O-CG2 3.28Å; P370-L527 HydrophobicContact CB-CD1 4.04Å; P370-L527 HydrophobicContact CB-CD2 3.67Å; P370-L527 HydrophobicContact CB-CG 3.74Å; P370-L527 HydrophobicContact CG-CD1 4.28Å; P370-L527 HydrophobicContact CG-CG 4.2Å |
| 371 | T | 94.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.055 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 130.3 | -171.6 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | G367 V368 Y376 F405 Y407 W514 | G367-T371 WeakPolarHBondContact O-CA 3.01Å; V368-T371 WeakPolarHBondContact O-CG2 3.48Å; T371-Y376 HydrophobicContact CG2-CE2 3.88Å; T371-F405 HydrophobicContact CG2-CE2 3.97Å; T371-F405 HydrophobicContact CG2-CZ 4.28Å; T371-Y407 HydrophobicContact CG2-CD1 3.62Å; T371-Y407 HydrophobicContact CG2-CD2 4.32Å; T371-Y407 HydrophobicContact CG2-CE1 3.98Å; T371-Y407 HydrophobicContact CG2-CG 3.82Å; T371-W514 HydrophobicContact CG2-CH2 3.8Å; T371-W514 HydrophobicContact CG2-CZ3 3.96Å |
| 372 | H | 94.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 24.2 Ų | 24.2 | 19% | 0.194 | 12% | 0.119 | C | C | . | . | trans | -101.3 | 102.8 | 167.7 | -179.6 | 41.2 | 0 | 0 | 0 | 109 | A329 M332 G367 P370 A374 L375 | A329-H372 PolarHBondContact O-CD2 3.23Å; A329-H372 PolarHBondContact O-NE2 3.48Å; M332-H372 PolarHBondContact O-NE2 2.97Å; G367-H372 PolarHBondContact O-N 3.46Å; P370-H372 PolarHBondContact O-N 2.84Å; H372-A374 PolarHBondContact O-N 3.49Å; H372-A374 VanDerWaalsContact O-N 3.11Å; H372-L375 HydrophobicContact CB-CB 4.27Å; H372-L375 VanDerWaalsContact O-CB 3.25Å; H372-L375 WeakPolarHBondContact O-CB 3.18Å; H372-L375 PolarHBondContact O-N 3.03Å | ||
| 373 | D | 93.5 | Very high | 95.6 | Very high | 61 Ų | 61 | 25.4 Ų | 25.4 | 33% | 0.326 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -50.2 | -41.4 | -172.7 | -81.5 | 35.5 | 0 | 0 | 0 | 114.5 | L375 Y376 E377 Y407 K408 | D373-L375 PolarHBondContact O-N 2.76Å; D373-Y376 PolarHBondContact O-N 2.87Å; D373-E377 WeakPolarHBondContact O-CG 3.48Å; D373-E377 PolarHBondContact O-N 3.34Å; D373-E377 VanDerWaalsContact O-N 3.11Å; D373-Y407 PolarHBondContact OD1-OH 3.19Å; D373-Y407 PolarHBondContact OD2-OH 3.13Å; D373-K408 VanDerWaalsContact CG-NZ 3.26Å; D373-K408 VanDerWaalsContact OD2-CE 3.31Å; D373-K408 WeakPolarHBondContact OD2-CE 3.37Å; D373-K408 IonicContact OD2-NZ 3.66Å; D373-K408 PolarHBondContact OD2-NZ 3.31Å |
| 374 | A | 95.2 | Very high | 95.7 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 12% | 0.116 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -29.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R334 L337 H372 A378 | R334-A374 HydrophobicContact CB-CB 3.94Å; R334-A374 HydrophobicContact CG-CB 4.43Å; L337-A374 HydrophobicContact CD1-CB 3.81Å; H372-A374 PolarHBondContact O-N 3.49Å; H372-A374 VanDerWaalsContact O-N 3.11Å; A374-A378 VanDerWaalsContact O-CB 3.26Å; A374-A378 WeakPolarHBondContact O-CB 3.47Å; A374-A378 PolarHBondContact O-N 3.16Å |
| 375 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66 | -50.5 | 174.6 | 174.9 | 63.4 | 0 | 0 | 0 | 110.8 | A329 L337 M341 A362 V368 H372 D373 E377 A378 W379 | A329-L375 HydrophobicContact CB-CB 4.27Å; A329-L375 HydrophobicContact CB-CD1 3.9Å; A329-L375 HydrophobicContact CB-CD2 3.84Å; A329-L375 HydrophobicContact CB-CG 4.22Å; L337-L375 HydrophobicContact CD2-CD1 4.27Å; M341-L375 HydrophobicContact CE-CD1 3.85Å; A362-L375 HydrophobicContact CB-CD2 3.94Å; V368-L375 HydrophobicContact CG2-CD2 4.32Å; H372-L375 HydrophobicContact CB-CB 4.27Å; H372-L375 VanDerWaalsContact O-CB 3.25Å; H372-L375 WeakPolarHBondContact O-CB 3.18Å; H372-L375 PolarHBondContact O-N 3.03Å; D373-L375 PolarHBondContact O-N 2.76Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 3.39Å; L375-A378 PolarHBondContact O-N 2.81Å; L375-W379 HydrophobicContact CD1-CD2 3.83Å; L375-W379 HydrophobicContact CD1-CE3 4.32Å; L375-W379 HydrophobicContact CD1-CG 4.29Å; L375-W379 HydrophobicContact CD1-CH2 4.39Å; L375-W379 HydrophobicContact CD1-CZ2 3.88Å; L375-W379 HydrophobicContact CD2-CE3 4.33Å; L375-W379 HydrophobicContact CD2-CH2 3.76Å; L375-W379 HydrophobicContact CD2-CZ2 4.03Å; L375-W379 HydrophobicContact CD2-CZ3 3.9Å; L375-W379 HydrophobicContact CG-CD2 3.91Å; L375-W379 HydrophobicContact CG-CE3 3.87Å; L375-W379 HydrophobicContact CG-CH2 4.1Å; L375-W379 HydrophobicContact CG-CZ2 4.1Å; L375-W379 HydrophobicContact CG-CZ3 3.96Å; L375-W379 VanDerWaalsContact O-CB 3.3Å; L375-W379 WeakPolarHBondContact O-CB 2.93Å; L375-W379 PolarHBondContact O-N 2.92Å |
| 376 | Y | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | -179.2 | -78.3 | -101.7 | 0 | 0 | 0 | 111.8 | G367 V368 T371 D373 K380 Y407 I410 V412 | G367-Y376 WeakPolarHBondContact O-CE2 3.23Å; V368-Y376 PolarHBondContact O-OH 2.92Å; T371-Y376 HydrophobicContact CG2-CE2 3.88Å; D373-Y376 PolarHBondContact O-N 2.87Å; Y376-K380 PolarHBondContact O-N 3.42Å; Y376-Y407 AromaticContact CD1-CD1 3.75Å; Y376-Y407 HydrophobicContact CD1-CD1 3.75Å; Y376-Y407 WeakPolarHBondContact CD1-O 3.4Å; Y376-Y407 AromaticContact CD2-CD1 3.99Å; Y376-Y407 HydrophobicContact CD2-CD1 3.99Å; Y376-Y407 HydrophobicContact CD2-CE1 4.27Å; Y376-Y407 AromaticContact CE1-CD1 3.75Å; Y376-Y407 HydrophobicContact CE1-CD1 3.75Å; Y376-Y407 HydrophobicContact CE1-CG 4.37Å; Y376-Y407 AromaticContact CE2-CD1 3.98Å; Y376-Y407 HydrophobicContact CE2-CD1 3.98Å; Y376-Y407 AromaticContact CG-CD1 3.9Å; Y376-Y407 HydrophobicContact CG-CD1 3.9Å; Y376-Y407 HydrophobicContact CG-CE1 4.31Å; Y376-Y407 AromaticContact CZ-CD1 3.87Å; Y376-I410 HydrophobicContact CD1-CB 3.9Å; Y376-I410 HydrophobicContact CD1-CD1 3.75Å; Y376-I410 HydrophobicContact CD1-CG1 4.06Å; Y376-I410 HydrophobicContact CE1-CB 3.95Å; Y376-I410 HydrophobicContact CE1-CD1 4.47Å; Y376-I410 HydrophobicContact CE1-CG2 4.28Å; Y376-I410 HydrophobicContact CG-CD1 4.44Å; Y376-V412 HydrophobicContact CE1-CG2 4.34Å; Y376-V412 WeakPolarHBondContact OH-CG2 3.33Å |
| 377 | E | 97.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 32% | 0.322 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 176.6 | -70.4 | 171.1 | -163.7 | 0 | 0 | 112.5 | R334 D373 L375 W379 K380 E381 K408 | R334-E377 IonicContact NE-OE2 2.71Å; R334-E377 PolarHBondContact NE-OE2 2.93Å; R334-E377 VanDerWaalsContact NE-OE2 3.12Å; D373-E377 WeakPolarHBondContact O-CG 3.48Å; D373-E377 PolarHBondContact O-N 3.34Å; D373-E377 VanDerWaalsContact O-N 3.11Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 3.39Å; E377-W379 VanDerWaalsContact C-N 3.29Å; E377-W379 PolarHBondContact O-N 3.47Å; E377-K380 PolarHBondContact O-N 2.9Å; E377-E381 WeakPolarHBondContact O-CB 3Å; E377-E381 PolarHBondContact O-N 3.25Å; E377-K408 IonicContact OE1-NZ 3.37Å; E377-K408 PolarHBondContact OE1-NZ 3Å |
| 378 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L337 V338 M341 A374 L375 E381 V382 | L337-A378 HydrophobicContact CB-CB 3.87Å; V338-A378 HydrophobicContact CG2-CB 3.81Å; M341-A378 HydrophobicContact CE-CB 3.68Å; M341-A378 VanDerWaalsContact SD-C 3.57Å; M341-A378 HydrophobicContact SD-CB 3.86Å; A374-A378 VanDerWaalsContact O-CB 3.26Å; A374-A378 WeakPolarHBondContact O-CB 3.47Å; A374-A378 PolarHBondContact O-N 3.16Å; L375-A378 PolarHBondContact O-N 2.81Å; A378-E381 PolarHBondContact O-N 3.46Å; A378-V382 PolarHBondContact O-N 3.32Å |
| 379 | W | 97.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 174.8 | -91.9 | -18.5 | 0 | 0 | 0 | 113.2 | M341 A360 A362 V368 L375 E377 W383 N384 I385 T388 I410 | M341-W379 HydrophobicContact CE-CG 3.91Å; A360-W379 HydrophobicContact CB-CZ2 4.34Å; A362-W379 HydrophobicContact CB-CH2 4.14Å; A362-W379 HydrophobicContact CB-CZ2 3.83Å; V368-W379 HydrophobicContact CG2-CH2 3.71Å; V368-W379 HydrophobicContact CG2-CZ3 4.35Å; L375-W379 HydrophobicContact CD1-CD2 3.83Å; L375-W379 HydrophobicContact CD1-CE3 4.32Å; L375-W379 HydrophobicContact CD1-CG 4.29Å; L375-W379 HydrophobicContact CD1-CH2 4.39Å; L375-W379 HydrophobicContact CD1-CZ2 3.88Å; L375-W379 HydrophobicContact CD2-CE3 4.33Å; L375-W379 HydrophobicContact CD2-CH2 3.76Å; L375-W379 HydrophobicContact CD2-CZ2 4.03Å; L375-W379 HydrophobicContact CD2-CZ3 3.9Å; L375-W379 HydrophobicContact CG-CD2 3.91Å; L375-W379 HydrophobicContact CG-CE3 3.87Å; L375-W379 HydrophobicContact CG-CH2 4.1Å; L375-W379 HydrophobicContact CG-CZ2 4.1Å; L375-W379 HydrophobicContact CG-CZ3 3.96Å; L375-W379 VanDerWaalsContact O-CB 3.3Å; L375-W379 WeakPolarHBondContact O-CB 2.93Å; L375-W379 PolarHBondContact O-N 2.92Å; E377-W379 VanDerWaalsContact C-N 3.29Å; E377-W379 PolarHBondContact O-N 3.47Å; W379-W383 CarbonylContact O-C 3.56Å; W379-W383 PolarHBondContact O-N 2.86Å; W379-N384 PolarHBondContact O-N 3.31Å; W379-N384 VanDerWaalsContact O-N 3.15Å; W379-I385 HydrophobicContact CB-CB 3.92Å; W379-I385 HydrophobicContact CB-CG1 3.88Å; W379-I385 HydrophobicContact CG-CB 4.3Å; W379-I385 HydrophobicContact CG-CG1 3.96Å; W379-I385 PolarHBondContact O-N 3.45Å; W379-I385 VanDerWaalsContact O-N 3.16Å; W379-T388 HydrophobicContact CH2-CG2 4.18Å; W379-T388 WeakPolarHBondContact CH2-OG1 3.12Å; W379-T388 HydrophobicContact CZ3-CG2 3.89Å; W379-I410 HydrophobicContact CB-CD1 4.26Å; W379-I410 HydrophobicContact CE3-CD1 4.16Å |
| 380 | K | 97.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 29.5 Ų | 29.5 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 173.7 | -75.2 | -172.3 | 173.4 | -174.3 | 0 | 111.8 | Y376 E377 N384 K408 D409 I410 | Y376-K380 PolarHBondContact O-N 3.42Å; E377-K380 PolarHBondContact O-N 2.9Å; K380-N384 VanDerWaalsContact O-CA 3.24Å; K380-N384 WeakPolarHBondContact O-CA 3.48Å; K380-N384 PolarHBondContact O-N 2.82Å; K380-N384 VanDerWaalsContact O-N 3.12Å; K380-K408 WeakPolarHBondContact CE-O 3.39Å; K380-K408 PolarHBondContact NZ-O 3.48Å; K380-D409 IonicContact NZ-OD2 2.83Å; K380-D409 PolarHBondContact NZ-OD2 2.97Å; K380-I410 HydrophobicContact CG-CD1 4.17Å; K380-I410 HydrophobicContact CG-CG1 4.45Å |
| 381 | E | 97.1 | Very high | 96.8 | Very high | 107 Ų | 107 | 30.5 Ų | 30.5 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.5 | -49.7 | -174.9 | -175.6 | 177.5 | 143 | 0 | 0 | 112.7 | R334 E377 A378 | R334-E381 IonicContact CZ-OE2 2.9Å; R334-E381 IonicContact NH1-OE2 3.92Å; R334-E381 PolarHBondContact NH1-OE2 3.26Å; R334-E381 IonicContact NH2-OE2 2.87Å; R334-E381 PolarHBondContact NH2-OE2 2.99Å; E377-E381 WeakPolarHBondContact O-CB 3Å; E377-E381 PolarHBondContact O-N 3.25Å; A378-E381 PolarHBondContact O-N 3.46Å |
| 382 | V | 97.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 16% | 0.164 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -89.2 | -38 | -170 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | V338 M341 E342 A378 | V338-V382 HydrophobicContact CB-CG2 4.32Å; V338-V382 HydrophobicContact CG1-CG2 3.88Å; V338-V382 HydrophobicContact CG2-CG2 4.31Å; M341-V382 HydrophobicContact CB-CB 3.92Å; M341-V382 HydrophobicContact CB-CG1 3.67Å; M341-V382 HydrophobicContact CB-CG2 4.03Å; M341-V382 HydrophobicContact SD-CB 4.24Å; M341-V382 HydrophobicContact SD-CG2 4.38Å; E342-V382 HydrophobicContact CG-CG1 4.16Å; E342-V382 HydrophobicContact CG-CG2 4.37Å; A378-V382 PolarHBondContact O-N 3.32Å |
| 383 | W | 96.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 28.2 Ų | 28.2 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -118.1 | -4.8 | -170.9 | -69.4 | 105 | 0 | 0 | 0 | 113.7 | F279 P321 N344 Y345 A348 I355 W379 I385 | F279-W383 HydrophobicContact CZ-CH2 4.16Å; P321-W383 HydrophobicContact CB-CD2 4.08Å; P321-W383 HydrophobicContact CB-CE3 4.41Å; P321-W383 HydrophobicContact CB-CH2 3.85Å; P321-W383 HydrophobicContact CB-CZ2 3.47Å; P321-W383 VanDerWaalsContact CB-CZ2 3.47Å; P321-W383 HydrophobicContact CB-CZ3 4.33Å; P321-W383 HydrophobicContact CG-CD2 3.66Å; P321-W383 HydrophobicContact CG-CE3 3.97Å; P321-W383 HydrophobicContact CG-CG 4.05Å; P321-W383 HydrophobicContact CG-CH2 4.29Å; P321-W383 HydrophobicContact CG-CZ2 4.03Å; P321-W383 HydrophobicContact CG-CZ3 4.29Å; N344-W383 HydrophobicContact CB-CZ2 4.28Å; Y345-W383 HydrophobicContact CD2-CD2 4.07Å; Y345-W383 AromaticContact CD2-CE3 3.6Å; Y345-W383 HydrophobicContact CD2-CE3 3.6Å; Y345-W383 AromaticContact CD2-CH2 3.76Å; Y345-W383 HydrophobicContact CD2-CH2 3.76Å; Y345-W383 HydrophobicContact CD2-CZ2 4.19Å; Y345-W383 AromaticContact CD2-CZ3 3.41Å; Y345-W383 HydrophobicContact CD2-CZ3 3.41Å; Y345-W383 VanDerWaalsContact CD2-CZ3 3.41Å; Y345-W383 HydrophobicContact CE2-CE3 4.16Å; Y345-W383 HydrophobicContact CE2-CZ3 4.08Å; Y345-W383 HydrophobicContact CG-CH2 4.16Å; Y345-W383 HydrophobicContact CG-CZ2 4.45Å; Y345-W383 HydrophobicContact CG-CZ3 4.25Å; A348-W383 HydrophobicContact CB-CH2 4.29Å; I355-W383 HydrophobicContact CG1-CE3 4.35Å; I355-W383 HydrophobicContact CG1-CH2 4.38Å; I355-W383 HydrophobicContact CG1-CZ3 3.66Å; W379-W383 CarbonylContact O-C 3.56Å; W379-W383 PolarHBondContact O-N 2.86Å; W383-I385 HydrophobicContact CB-CD1 3.51Å; W383-I385 HydrophobicContact CB-CG1 3.64Å; W383-I385 HydrophobicContact CG-CD1 4.4Å; W383-I385 PolarHBondContact O-N 3.42Å |
| 384 | N | 96.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 27.1 Ų | 27.1 | 55% | 0.551 | 14% | 0.135 | S | C | * | . | trans | 52.3 | 41.1 | -172.4 | -170.4 | 35.7 | 0 | 0 | 0 | 112.5 | P358 W379 K380 Q386 | P358-N384 WeakPolarHBondContact CB-O 3.35Å; W379-N384 PolarHBondContact O-N 3.31Å; W379-N384 VanDerWaalsContact O-N 3.15Å; K380-N384 VanDerWaalsContact O-CA 3.24Å; K380-N384 WeakPolarHBondContact O-CA 3.48Å; K380-N384 PolarHBondContact O-N 2.82Å; K380-N384 VanDerWaalsContact O-N 3.12Å; N384-Q386 PolarHBondContact O-N 3.25Å | ||
| 385 | I | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -66 | 135.3 | -178.6 | -57.5 | -53.6 | 0 | 0 | 0 | 110.6 | A360 W379 W383 V387 I410 | A360-I385 HydrophobicContact CB-CD1 3.56Å; A360-I385 HydrophobicContact CB-CG1 3.77Å; A360-I385 HydrophobicContact CB-CG2 4.29Å; W379-I385 HydrophobicContact CB-CB 3.92Å; W379-I385 HydrophobicContact CB-CG1 3.88Å; W379-I385 HydrophobicContact CG-CB 4.3Å; W379-I385 HydrophobicContact CG-CG1 3.96Å; W379-I385 PolarHBondContact O-N 3.45Å; W379-I385 VanDerWaalsContact O-N 3.16Å; W383-I385 HydrophobicContact CB-CD1 3.51Å; W383-I385 HydrophobicContact CB-CG1 3.64Å; W383-I385 HydrophobicContact CG-CD1 4.4Å; W383-I385 PolarHBondContact O-N 3.42Å; I385-V387 WeakPolarHBondContact CG2-O 3.31Å; I385-I410 HydrophobicContact CB-CD1 4.46Å; I385-I410 HydrophobicContact CG2-CD1 4.35Å; I385-I410 HydrophobicContact CG2-CG2 4.36Å | ||
| 386 | Q | 98.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | trans | -120.3 | -19.8 | 175.6 | -63.1 | 174 | -2.9 | 0 | 0 | 111.4 | P358 N384 I410 M411 | P358-Q386 HydrophobicContact CB-CB 4.03Å; P358-Q386 HydrophobicContact CB-CG 3.94Å; P358-Q386 HydrophobicContact CG-CB 3.95Å; P358-Q386 HydrophobicContact CG-CG 4.03Å; P358-Q386 PolarHBondContact O-N 2.91Å; N384-Q386 PolarHBondContact O-N 3.25Å; Q386-I410 CarbonylContact O-C 3.46Å; Q386-I410 WeakPolarHBondContact O-CA 3.31Å; Q386-M411 PolarHBondContact O-N 2.89Å | ||
| 387 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.6 | -177.8 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | P358 Y359 A360 I385 M411 L413 A499 | P358-V387 PolarHBondContact O-N 2.93Å; Y359-V387 VanDerWaalsContact CA-O 3.29Å; Y359-V387 WeakPolarHBondContact CA-O 3.39Å; Y359-V387 HydrophobicContact CD2-CB 3.89Å; Y359-V387 HydrophobicContact CD2-CG1 3.75Å; Y359-V387 WeakPolarHBondContact CD2-O 3.36Å; Y359-V387 HydrophobicContact CE2-CG1 4.17Å; A360-V387 PolarHBondContact N-O 3.35Å; I385-V387 WeakPolarHBondContact CG2-O 3.31Å; V387-M411 CarbonylContact C-O 3.4Å; V387-M411 VanDerWaalsContact CA-O 3.27Å; V387-M411 WeakPolarHBondContact CA-O 3.48Å; V387-M411 HydrophobicContact CG2-CB 4.34Å; V387-M411 HydrophobicContact CG2-CE 3.99Å; V387-L413 HydrophobicContact CG1-CD1 3.92Å; V387-L413 HydrophobicContact CG1-CG 4.15Å; V387-A499 HydrophobicContact CB-CB 4.43Å; V387-A499 HydrophobicContact CG1-CB 3.77Å; V387-A499 HydrophobicContact CG2-CB 3.69Å |
| 388 | T | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 178.4 | 166.7 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | A360 V368 W379 I410 M411 V412 L413 | A360-T388 VanDerWaalsContact O-CA 3.31Å; A360-T388 WeakPolarHBondContact O-CA 3.27Å; A360-T388 WeakPolarHBondContact O-CB 3.43Å; A360-T388 PolarHBondContact O-OG1 3.36Å; V368-T388 HydrophobicContact CG1-CG2 3.85Å; W379-T388 HydrophobicContact CH2-CG2 4.18Å; W379-T388 WeakPolarHBondContact CH2-OG1 3.12Å; W379-T388 HydrophobicContact CZ3-CG2 3.89Å; T388-I410 HydrophobicContact CG2-CG2 4Å; T388-M411 PolarHBondContact N-O 2.84Å; T388-V412 HydrophobicContact CG2-CB 4.2Å; T388-V412 HydrophobicContact CG2-CG1 4.09Å; T388-V412 HydrophobicContact CG2-CG2 3.71Å; T388-V412 WeakPolarHBondContact O-CA 3.44Å; T388-L413 PolarHBondContact O-N 3.31Å |
| 389 | S | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.7 | 173.5 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | Y359 H365 L413 R415 | Y359-S389 PolarHBondContact OH-OG 3.34Å; H365-S389 PolarHBondContact ND1-O 3.23Å; H365-S389 VanDerWaalsContact ND1-O 3.16Å; S389-L413 WeakPolarHBondContact CA-O 3.24Å; S389-L413 WeakPolarHBondContact CB-O 3.5Å; S389-R415 PolarHBondContact OG-NH1 3.01Å |
| 390 | T | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 146.8 | 175.8 | -173 | 0 | 0 | 0 | 0 | 112 | V368 E392 V412 L413 R415 | V368-T390 HydrophobicContact CG1-CG2 3.94Å; T390-E392 WeakPolarHBondContact OG1-CB 3.23Å; T390-E392 PolarHBondContact OG1-N 2.86Å; T390-E392 VanDerWaalsContact OG1-N 3.11Å; T390-V412 HydrophobicContact CG2-CG1 3.7Å; T390-L413 PolarHBondContact N-O 2.9Å; T390-R415 VanDerWaalsContact C-CB 3.5Å; T390-R415 PolarHBondContact O-N 3.16Å |
| 391 | E | 94.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -92.4 | -7.5 | 170.6 | 60.4 | -162.3 | -159.8 | 0 | 0 | 112.9 | H365 L396 R402 R415 M459 | H365-E391 IonicContact CD2-OE1 3.68Å; E391-L396 HydrophobicContact CB-CD1 4.24Å; E391-L396 HydrophobicContact CG-CD1 3.88Å; E391-L396 WeakPolarHBondContact O-CA 3.19Å; E391-R402 PolarHBondContact O-NE 3.45Å; E391-R415 HydrophobicContact CB-CB 4.3Å; E391-M459 WeakPolarHBondContact OE1-CE 3.14Å; E391-M459 WeakPolarHBondContact OE2-CE 3.38Å |
| 392 | E | 92.8 | Very high | 95 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | trans | -86.3 | -10.8 | -172.3 | -58.2 | -60.5 | 155.5 | 0 | 0 | 114 | H365 T390 P394 H395 R522 | H365-E392 HydrophobicContact CB-CG 3.96Å; T390-E392 WeakPolarHBondContact OG1-CB 3.23Å; T390-E392 PolarHBondContact OG1-N 2.86Å; T390-E392 VanDerWaalsContact OG1-N 3.11Å; E392-P394 CarbonylContact O-C 3.58Å; E392-P394 VanDerWaalsContact O-C 3.27Å; E392-H395 CarbonylContact O-C 3.5Å; E392-H395 VanDerWaalsContact O-C 3.31Å; E392-H395 WeakPolarHBondContact O-CA 3.35Å; E392-H395 PolarHBondContact O-N 2.95Å; E392-R522 IonicContact OE1-CZ 2.72Å; E392-R522 IonicContact OE1-NE 2.87Å; E392-R522 IonicContact OE1-NH1 3.8Å; E392-R522 PolarHBondContact OE1-NH1 2.78Å; E392-R522 IonicContact OE1-NH2 3.96Å; E392-R522 PolarHBondContact OE1-NH2 3.26Å; E392-R522 IonicContact OE2-CZ 2.96Å; E392-R522 IonicContact OE2-NH1 3.65Å; E392-R522 PolarHBondContact OE2-NH1 2.83Å | ||
| 393 | Y | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -107 | 131.6 | -171.7 | 176.9 | -112.6 | 0 | 0 | 0 | 113.3 | Y369 H395 R402 R403 G404 F405 P512 V513 | Y369-Y393 AromaticContact CD1-CD2 3.86Å; Y369-Y393 HydrophobicContact CD1-CD2 3.86Å; Y369-Y393 HydrophobicContact CD1-CG 4.39Å; Y369-Y393 AromaticContact CD2-CD2 3.39Å; Y369-Y393 HydrophobicContact CD2-CD2 3.39Å; Y369-Y393 HydrophobicContact CD2-CE2 4.11Å; Y369-Y393 HydrophobicContact CD2-CG 4.1Å; Y369-Y393 AromaticContact CE1-CD2 3.76Å; Y369-Y393 HydrophobicContact CE1-CD2 3.76Å; Y369-Y393 AromaticContact CE2-CD2 3.28Å; Y369-Y393 HydrophobicContact CE2-CD2 3.28Å; Y369-Y393 AromaticContact CE2-CE2 3.64Å; Y369-Y393 HydrophobicContact CE2-CE2 3.64Å; Y369-Y393 HydrophobicContact CE2-CG 4.39Å; Y369-Y393 AromaticContact CG-CD2 3.68Å; Y369-Y393 HydrophobicContact CG-CD2 3.68Å; Y369-Y393 HydrophobicContact CG-CG 4.1Å; Y369-Y393 AromaticContact CZ-CD2 3.47Å; Y369-Y393 VanDerWaalsContact CZ-CD2 3.47Å; Y369-Y393 AromaticContact CZ-CE2 3.91Å; Y393-H395 VanDerWaalsContact C-N 3.26Å; Y393-R402 WeakPolarHBondContact O-CA 3.46Å; Y393-R403 HydrophobicContact CD1-CG 4.15Å; Y393-R403 WeakPolarHBondContact CD1-O 3.46Å; Y393-R403 HydrophobicContact CE1-CB 4.47Å; Y393-R403 HydrophobicContact CE1-CG 3.53Å; Y393-G404 WeakPolarHBondContact CE1-O 3.37Å; Y393-F405 AromaticContact CD1-CD1 3.26Å; Y393-F405 HydrophobicContact CD1-CD1 3.26Å; Y393-F405 AromaticContact CD1-CE1 3.64Å; Y393-F405 HydrophobicContact CD1-CE1 3.64Å; Y393-F405 HydrophobicContact CD1-CG 4.33Å; Y393-F405 HydrophobicContact CD2-CD1 4.32Å; Y393-F405 HydrophobicContact CD2-CE1 4.23Å; Y393-F405 HydrophobicContact CE1-CB 3.98Å; Y393-F405 AromaticContact CE1-CD1 3.35Å; Y393-F405 HydrophobicContact CE1-CD1 3.35Å; Y393-F405 HydrophobicContact CE1-CE1 4.13Å; Y393-F405 HydrophobicContact CE1-CG 4.02Å; Y393-F405 HydrophobicContact CE2-CD1 4.46Å; Y393-F405 AromaticContact CG-CD1 3.8Å; Y393-F405 HydrophobicContact CG-CD1 3.8Å; Y393-F405 AromaticContact CG-CE1 3.7Å; Y393-F405 HydrophobicContact CG-CE1 3.7Å; Y393-P512 WeakPolarHBondContact OH-CA 3.27Å; Y393-V513 PolarHBondContact OH-N 2.94Å |
| 394 | P | 91.9 | Very high | 95 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -74.9 | -14.2 | -5.8 | 33.3 | -34.9 | 0 | 0 | 0 | 113.6 | Y369 E392 L401 | Y369-P394 WeakPolarHBondContact CE1-O 3.18Å; E392-P394 CarbonylContact O-C 3.58Å; E392-P394 VanDerWaalsContact O-C 3.27Å; P394-L401 WeakPolarHBondContact CD-O 3.3Å |
| 395 | H | 89 | Confident | 95.1 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 40% | 0.398 | 16% | 0.164 | S | C | . | . | trans | -156.4 | 154.9 | 171.5 | -160.9 | -57.6 | 0 | 0 | 0 | 108.4 | E392 Y393 K397 D520 | E392-H395 CarbonylContact O-C 3.5Å; E392-H395 VanDerWaalsContact O-C 3.31Å; E392-H395 WeakPolarHBondContact O-CA 3.35Å; E392-H395 PolarHBondContact O-N 2.95Å; Y393-H395 VanDerWaalsContact C-N 3.26Å; H395-K397 PolarHBondContact O-N 3.37Å; H395-K397 VanDerWaalsContact O-N 3.15Å; H395-D520 IonicContact CD2-OD2 2.79Å; H395-D520 IonicContact CE1-OD2 2.65Å; H395-D520 PolarHBondContact CE1-OD2 3.05Å; H395-D520 IonicContact NE2-OD2 3.12Å; H395-D520 PolarHBondContact NE2-OD2 3.25Å | ||
| 396 | L | 89.5 | Confident | 95.1 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 29% | 0.293 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -51.1 | -37.1 | 175.7 | -174.8 | 63.8 | 0 | 0 | 0 | 114.4 | E391 R402 | E391-L396 HydrophobicContact CB-CD1 4.24Å; E391-L396 HydrophobicContact CG-CD1 3.88Å; E391-L396 WeakPolarHBondContact O-CA 3.19Å; L396-R402 PolarHBondContact O-NE 2.94Å; L396-R402 PolarHBondContact O-NH2 3.23Å |
| 397 | K | 90.8 | Very high | 95 | Very high | 157 Ų | 157 | 31.3 Ų | 31.3 | 68% | 0.683 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -136.3 | 153 | 179.7 | -69.1 | -171.6 | -179.7 | -177.8 | 0 | 110.8 | H395 | H395-K397 PolarHBondContact O-N 3.37Å; H395-K397 VanDerWaalsContact O-N 3.15Å |
| 398 | P | 92.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | cis | -73.1 | 147 | -11.8 | 31.2 | -35.9 | 0 | 0 | 0 | 111.9 | S400 L401 | P398-S400 PolarHBondContact O-N 3.19Å; P398-S400 VanDerWaalsContact O-N 3.13Å; P398-L401 HydrophobicContact CG-CB 4.41Å; P398-L401 HydrophobicContact CG-CD1 3.7Å; P398-L401 HydrophobicContact CG-CG 3.86Å; P398-L401 PolarHBondContact O-N 2.9Å; P398-L401 VanDerWaalsContact O-N 3.08Å | ||
| 399 | A | 93.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 40 Ų | 40 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L401 R402 | A399-L401 PolarHBondContact O-N 2.78Å; A399-L401 VanDerWaalsContact O-N 3.15Å; A399-R402 WeakPolarHBondContact O-CB 3.34Å; A399-R402 WeakPolarHBondContact O-CG 3.24Å; A399-R402 PolarHBondContact O-N 2.91Å |
| 400 | S | 94.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -64.6 | -15.1 | 177.2 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | N35 P398 | N35-S400 CarbonylContact C-O 3.46Å; P398-S400 PolarHBondContact O-N 3.19Å; P398-S400 VanDerWaalsContact O-N 3.13Å |
| 401 | L | 94.4 | Very high | 94.8 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -97.1 | -4.7 | 175.8 | -66.2 | -179.6 | 0 | 0 | 0 | 113.4 | N35 P394 P398 A399 | N35-L401 HydrophobicContact CB-CD2 4.12Å; P394-L401 WeakPolarHBondContact CD-O 3.3Å; P398-L401 HydrophobicContact CG-CB 4.41Å; P398-L401 HydrophobicContact CG-CD1 3.7Å; P398-L401 HydrophobicContact CG-CG 3.86Å; P398-L401 PolarHBondContact O-N 2.9Å; P398-L401 VanDerWaalsContact O-N 3.08Å; A399-L401 PolarHBondContact O-N 2.78Å; A399-L401 VanDerWaalsContact O-N 3.15Å |
| 402 | R | 95.8 | Very high | 95 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | trans | -60.8 | 143.5 | 176.4 | -66.3 | 177.2 | -174 | 165.6 | 7.4 | 110.3 | K38 E391 Y393 L396 A399 P414 R415 | K38-R402 PolarHBondContact NZ-O 2.91Å; E391-R402 PolarHBondContact O-NE 3.45Å; Y393-R402 WeakPolarHBondContact O-CA 3.46Å; L396-R402 PolarHBondContact O-NE 2.94Å; L396-R402 PolarHBondContact O-NH2 3.23Å; A399-R402 WeakPolarHBondContact O-CB 3.34Å; A399-R402 WeakPolarHBondContact O-CG 3.24Å; A399-R402 PolarHBondContact O-N 2.91Å; R402-P414 HydrophobicContact CB-CB 3.92Å; R402-R415 WeakPolarHBondContact CD-O 3.49Å; R402-R415 PolarHBondContact NH1-O 2.75Å | ||
| 403 | R | 96.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | trans | -151.7 | 164.7 | -176.5 | 50.8 | -174.8 | -56.1 | -175.9 | 2.8 | 110.3 | Y393 D508 E509 | Y393-R403 HydrophobicContact CD1-CG 4.15Å; Y393-R403 WeakPolarHBondContact CD1-O 3.46Å; Y393-R403 HydrophobicContact CE1-CB 4.47Å; Y393-R403 HydrophobicContact CE1-CG 3.53Å; R403-D508 PolarHBondContact NH2-O 3.44Å; R403-E509 WeakPolarHBondContact CA-OE2 3.46Å; R403-E509 HydrophobicContact CB-CG 4.26Å; R403-E509 WeakPolarHBondContact CB-OE1 3.34Å; R403-E509 WeakPolarHBondContact CB-OE2 3.39Å; R403-E509 IonicContact NE-OE1 2.59Å | ||
| 404 | G | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -85.2 | 170 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y393 V412 Y502 E509 | Y393-G404 WeakPolarHBondContact CE1-O 3.37Å; G404-V412 CarbonylContact C-O 3.59Å; G404-V412 WeakPolarHBondContact CA-O 3.25Å; G404-Y502 PolarHBondContact N-OH 3.31Å; G404-E509 CarbonylContact C-O 3.51Å; G404-E509 PolarHBondContact N-OE2 3.2Å | ||
| 405 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 161.5 | 165 | 66.7 | -79.6 | 0 | 0 | 0 | 111.2 | Y369 T371 Y393 V412 F503 E509 P512 | Y369-F405 HydrophobicContact CD2-CE1 4.36Å; Y369-F405 HydrophobicContact CD2-CZ 4.2Å; T371-F405 HydrophobicContact CG2-CE2 3.97Å; T371-F405 HydrophobicContact CG2-CZ 4.28Å; Y393-F405 AromaticContact CD1-CD1 3.26Å; Y393-F405 HydrophobicContact CD1-CD1 3.26Å; Y393-F405 AromaticContact CD1-CE1 3.64Å; Y393-F405 HydrophobicContact CD1-CE1 3.64Å; Y393-F405 HydrophobicContact CD1-CG 4.33Å; Y393-F405 HydrophobicContact CD2-CD1 4.32Å; Y393-F405 HydrophobicContact CD2-CE1 4.23Å; Y393-F405 HydrophobicContact CE1-CB 3.98Å; Y393-F405 AromaticContact CE1-CD1 3.35Å; Y393-F405 HydrophobicContact CE1-CD1 3.35Å; Y393-F405 HydrophobicContact CE1-CE1 4.13Å; Y393-F405 HydrophobicContact CE1-CG 4.02Å; Y393-F405 HydrophobicContact CE2-CD1 4.46Å; Y393-F405 AromaticContact CG-CD1 3.8Å; Y393-F405 HydrophobicContact CG-CD1 3.8Å; Y393-F405 AromaticContact CG-CE1 3.7Å; Y393-F405 HydrophobicContact CG-CE1 3.7Å; F405-V412 HydrophobicContact CD1-CB 3.76Å; F405-V412 HydrophobicContact CD1-CG1 4.01Å; F405-V412 HydrophobicContact CD1-CG2 4.28Å; F405-V412 HydrophobicContact CD2-CB 4.4Å; F405-V412 HydrophobicContact CD2-CG2 4.1Å; F405-V412 HydrophobicContact CE1-CB 3.58Å; F405-V412 HydrophobicContact CE1-CG1 3.45Å; F405-V412 VanDerWaalsContact CE1-CG1 3.45Å; F405-V412 HydrophobicContact CE1-CG2 3.89Å; F405-V412 HydrophobicContact CE2-CB 4.23Å; F405-V412 HydrophobicContact CE2-CG2 3.68Å; F405-V412 HydrophobicContact CG-CB 4.2Å; F405-V412 HydrophobicContact CG-CG2 4.41Å; F405-V412 HydrophobicContact CZ-CB 3.85Å; F405-V412 HydrophobicContact CZ-CG1 3.88Å; F405-V412 HydrophobicContact CZ-CG2 3.58Å; F405-V412 PolarHBondContact N-O 2.91Å; F405-V412 VanDerWaalsContact N-O 3.09Å; F405-V412 WeakPolarHBondContact O-CA 3.15Å; F405-V412 WeakPolarHBondContact O-CB 3.38Å; F405-V412 PolarHBondContact O-N 3.33Å; F405-F503 WeakPolarHBondContact O-CZ 3.33Å; F405-E509 VanDerWaalsContact CA-O 3.29Å; F405-E509 WeakPolarHBondContact CA-O 3.47Å; F405-P512 HydrophobicContact CB-CB 4.01Å; F405-P512 HydrophobicContact CD2-CB 3.72Å; F405-P512 HydrophobicContact CD2-CG 4.26Å; F405-P512 HydrophobicContact CE2-CB 4.37Å; F405-P512 HydrophobicContact CG-CB 3.98Å |
| 406 | I | 97.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.3 | 172 | -54.4 | -173.4 | 0 | 0 | 0 | 108.3 | I410 M411 F503 L510 | I406-I410 WeakPolarHBondContact CA-O 3.42Å; I406-M411 HydrophobicContact CD1-CG 3.95Å; I406-M411 HydrophobicContact CG1-CG 4.03Å; I406-F503 HydrophobicContact CD1-CD1 4.33Å; I406-F503 HydrophobicContact CD1-CD2 4.23Å; I406-F503 HydrophobicContact CD1-CE1 4.5Å; I406-F503 HydrophobicContact CD1-CE2 4.44Å; I406-F503 HydrophobicContact CD1-CG 4.19Å; I406-F503 HydrophobicContact CG1-CD1 4.2Å; I406-F503 HydrophobicContact CG1-CD2 4.28Å; I406-F503 HydrophobicContact CG1-CE1 3.88Å; I406-F503 HydrophobicContact CG1-CE2 4.01Å; I406-F503 HydrophobicContact CG1-CG 4.39Å; I406-F503 HydrophobicContact CG1-CZ 3.79Å; I406-L510 HydrophobicContact CD1-CD2 3.54Å; I406-L510 HydrophobicContact CG1-CD2 4.28Å; I406-L510 PolarHBondContact N-O 3.25Å |
| 407 | Y | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128.6 | 176.5 | -174.8 | -103.8 | 0 | 0 | 0 | 110.7 | T371 D373 Y376 D409 I410 W514 L602 | T371-Y407 HydrophobicContact CG2-CD1 3.62Å; T371-Y407 HydrophobicContact CG2-CD2 4.32Å; T371-Y407 HydrophobicContact CG2-CE1 3.98Å; T371-Y407 HydrophobicContact CG2-CG 3.82Å; D373-Y407 PolarHBondContact OD1-OH 3.19Å; D373-Y407 PolarHBondContact OD2-OH 3.13Å; Y376-Y407 AromaticContact CD1-CD1 3.75Å; Y376-Y407 HydrophobicContact CD1-CD1 3.75Å; Y376-Y407 WeakPolarHBondContact CD1-O 3.4Å; Y376-Y407 AromaticContact CD2-CD1 3.99Å; Y376-Y407 HydrophobicContact CD2-CD1 3.99Å; Y376-Y407 HydrophobicContact CD2-CE1 4.27Å; Y376-Y407 AromaticContact CE1-CD1 3.75Å; Y376-Y407 HydrophobicContact CE1-CD1 3.75Å; Y376-Y407 HydrophobicContact CE1-CG 4.37Å; Y376-Y407 AromaticContact CE2-CD1 3.98Å; Y376-Y407 HydrophobicContact CE2-CD1 3.98Å; Y376-Y407 AromaticContact CG-CD1 3.9Å; Y376-Y407 HydrophobicContact CG-CD1 3.9Å; Y376-Y407 HydrophobicContact CG-CE1 4.31Å; Y376-Y407 AromaticContact CZ-CD1 3.87Å; Y407-D409 PolarHBondContact O-N 2.99Å; Y407-I410 PolarHBondContact N-O 2.86Å; Y407-I410 PolarHBondContact O-N 2.8Å; Y407-W514 AromaticContact CD2-CH2 3.91Å; Y407-W514 HydrophobicContact CD2-CH2 3.91Å; Y407-W514 HydrophobicContact CD2-CZ2 4.09Å; Y407-W514 HydrophobicContact CE2-CH2 4.04Å; Y407-W514 HydrophobicContact CE2-CZ2 4.05Å; Y407-L602 VanDerWaalsContact CE2-O 3.3Å; Y407-L602 WeakPolarHBondContact CE2-O 3.33Å |
| 408 | K | 95 | Very high | 96.3 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 26% | 0.261 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.9 | 52.7 | -170.8 | -66.3 | -172.4 | 177.2 | -175.1 | 0 | 110.9 | D373 E377 K380 I410 | D373-K408 VanDerWaalsContact CG-NZ 3.26Å; D373-K408 VanDerWaalsContact OD2-CE 3.31Å; D373-K408 WeakPolarHBondContact OD2-CE 3.37Å; D373-K408 IonicContact OD2-NZ 3.66Å; D373-K408 PolarHBondContact OD2-NZ 3.31Å; E377-K408 IonicContact OE1-NZ 3.37Å; E377-K408 PolarHBondContact OE1-NZ 3Å; K380-K408 WeakPolarHBondContact CE-O 3.39Å; K380-K408 PolarHBondContact NZ-O 3.48Å; K408-I410 PolarHBondContact O-N 3.03Å |
| 409 | D | 96 | Very high | 96.2 | Very high | 124 Ų | 124 | 24.4 Ų | 24.4 | 66% | 0.663 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 14 | -179.3 | -35.2 | -61.9 | 0 | 0 | 0 | 116.6 | K380 Y407 | K380-D409 IonicContact NZ-OD2 2.83Å; K380-D409 PolarHBondContact NZ-OD2 2.97Å; Y407-D409 PolarHBondContact O-N 2.99Å |
| 410 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.2 | 170.3 | -58.5 | -171.4 | 0 | 0 | 0 | 108.4 | Y376 W379 K380 I385 Q386 T388 I406 Y407 K408 | Y376-I410 HydrophobicContact CD1-CB 3.9Å; Y376-I410 HydrophobicContact CD1-CD1 3.75Å; Y376-I410 HydrophobicContact CD1-CG1 4.06Å; Y376-I410 HydrophobicContact CE1-CB 3.95Å; Y376-I410 HydrophobicContact CE1-CD1 4.47Å; Y376-I410 HydrophobicContact CE1-CG2 4.28Å; Y376-I410 HydrophobicContact CG-CD1 4.44Å; W379-I410 HydrophobicContact CB-CD1 4.26Å; W379-I410 HydrophobicContact CE3-CD1 4.16Å; K380-I410 HydrophobicContact CG-CD1 4.17Å; K380-I410 HydrophobicContact CG-CG1 4.45Å; I385-I410 HydrophobicContact CB-CD1 4.46Å; I385-I410 HydrophobicContact CG2-CD1 4.35Å; I385-I410 HydrophobicContact CG2-CG2 4.36Å; Q386-I410 CarbonylContact O-C 3.46Å; Q386-I410 WeakPolarHBondContact O-CA 3.31Å; T388-I410 HydrophobicContact CG2-CG2 4Å; I406-I410 WeakPolarHBondContact CA-O 3.42Å; Y407-I410 PolarHBondContact N-O 2.86Å; Y407-I410 PolarHBondContact O-N 2.8Å; K408-I410 PolarHBondContact O-N 3.03Å |
| 411 | M | 98.7 | Very high | 95.9 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 119 | 174.3 | -76.5 | -177.9 | -74.4 | 0 | 0 | 110.3 | Q386 V387 T388 I406 A499 E500 F503 | Q386-M411 PolarHBondContact O-N 2.89Å; V387-M411 CarbonylContact C-O 3.4Å; V387-M411 VanDerWaalsContact CA-O 3.27Å; V387-M411 WeakPolarHBondContact CA-O 3.48Å; V387-M411 HydrophobicContact CG2-CB 4.34Å; V387-M411 HydrophobicContact CG2-CE 3.99Å; T388-M411 PolarHBondContact N-O 2.84Å; I406-M411 HydrophobicContact CD1-CG 3.95Å; I406-M411 HydrophobicContact CG1-CG 4.03Å; M411-A499 HydrophobicContact CB-CB 3.91Å; M411-A499 HydrophobicContact CE-CB 3.86Å; M411-A499 HydrophobicContact CG-CB 4.38Å; M411-A499 HydrophobicContact SD-CB 3.61Å; M411-E500 HydrophobicContact CE-CG 4.42Å; M411-F503 HydrophobicContact CB-CD2 4.2Å; M411-F503 HydrophobicContact CB-CE2 3.63Å; M411-F503 HydrophobicContact CG-CD2 3.75Å; M411-F503 HydrophobicContact CG-CE2 3.63Å; M411-F503 HydrophobicContact SD-CD2 3.76Å; M411-F503 HydrophobicContact SD-CE2 4.19Å |
| 412 | V | 98.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.9 | 178.9 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | V368 Y376 T388 T390 G404 F405 | V368-V412 HydrophobicContact CG1-CG1 3.78Å; V368-V412 HydrophobicContact CG1-CG2 4.47Å; Y376-V412 HydrophobicContact CE1-CG2 4.34Å; Y376-V412 WeakPolarHBondContact OH-CG2 3.33Å; T388-V412 HydrophobicContact CG2-CB 4.2Å; T388-V412 HydrophobicContact CG2-CG1 4.09Å; T388-V412 HydrophobicContact CG2-CG2 3.71Å; T388-V412 WeakPolarHBondContact O-CA 3.44Å; T390-V412 HydrophobicContact CG2-CG1 3.7Å; G404-V412 CarbonylContact C-O 3.59Å; G404-V412 WeakPolarHBondContact CA-O 3.25Å; F405-V412 HydrophobicContact CD1-CB 3.76Å; F405-V412 HydrophobicContact CD1-CG1 4.01Å; F405-V412 HydrophobicContact CD1-CG2 4.28Å; F405-V412 HydrophobicContact CD2-CB 4.4Å; F405-V412 HydrophobicContact CD2-CG2 4.1Å; F405-V412 HydrophobicContact CE1-CB 3.58Å; F405-V412 HydrophobicContact CE1-CG1 3.45Å; F405-V412 VanDerWaalsContact CE1-CG1 3.45Å; F405-V412 HydrophobicContact CE1-CG2 3.89Å; F405-V412 HydrophobicContact CE2-CB 4.23Å; F405-V412 HydrophobicContact CE2-CG2 3.68Å; F405-V412 HydrophobicContact CG-CB 4.2Å; F405-V412 HydrophobicContact CG-CG2 4.41Å; F405-V412 HydrophobicContact CZ-CB 3.85Å; F405-V412 HydrophobicContact CZ-CG1 3.88Å; F405-V412 HydrophobicContact CZ-CG2 3.58Å; F405-V412 PolarHBondContact N-O 2.91Å; F405-V412 VanDerWaalsContact N-O 3.09Å; F405-V412 WeakPolarHBondContact O-CA 3.15Å; F405-V412 WeakPolarHBondContact O-CB 3.38Å; F405-V412 PolarHBondContact O-N 3.33Å |
| 413 | L | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 146.6 | -179.1 | -58.4 | 178.9 | 0 | 0 | 0 | 112.8 | V387 T388 S389 T390 R415 I457 L498 A499 Y502 F503 | V387-L413 HydrophobicContact CG1-CD1 3.92Å; V387-L413 HydrophobicContact CG1-CG 4.15Å; T388-L413 PolarHBondContact O-N 3.31Å; S389-L413 WeakPolarHBondContact CA-O 3.24Å; S389-L413 WeakPolarHBondContact CB-O 3.5Å; T390-L413 PolarHBondContact N-O 2.9Å; L413-R415 PolarHBondContact O-N 3.29Å; L413-I457 HydrophobicContact CB-CD1 4.07Å; L413-I457 HydrophobicContact CB-CG1 4.35Å; L413-I457 HydrophobicContact CD1-CD1 4.24Å; L413-I457 HydrophobicContact CD1-CG1 4.23Å; L413-L498 HydrophobicContact CD1-CD2 4.1Å; L413-L498 HydrophobicContact CD1-CG 4.15Å; L413-A499 HydrophobicContact CD1-CB 4.07Å; L413-A499 HydrophobicContact CD2-CB 3.98Å; L413-A499 HydrophobicContact CG-CB 4.27Å; L413-Y502 HydrophobicContact CD2-CD1 4.08Å; L413-Y502 HydrophobicContact CD2-CD2 4.17Å; L413-Y502 HydrophobicContact CD2-CG 3.7Å; L413-F503 HydrophobicContact CD2-CE2 4.15Å |
| 414 | P | 97.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.5 | 177.2 | 30.6 | -34.7 | 0 | 0 | 0 | 111.4 | R402 Q416 Y502 | R402-P414 HydrophobicContact CB-CB 3.92Å; P414-Q416 PolarHBondContact O-NE2 3.08Å; P414-Q416 VanDerWaalsContact O-NE2 3.09Å; P414-Y502 HydrophobicContact CG-CD2 4.49Å; P414-Y502 HydrophobicContact CG-CE2 3.51Å; P414-Y502 WeakPolarHBondContact CG-OH 3.49Å |
| 415 | R | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 144.6 | 179 | -157.9 | 176.5 | 178.5 | 96.3 | -4.2 | 111.1 | D238 D240 Y359 H365 S389 T390 E391 R402 L413 I457 M459 | D238-R415 IonicContact OD2-CZ 2.93Å; D238-R415 IonicContact OD2-NH1 3.19Å; D238-R415 PolarHBondContact OD2-NH1 3.35Å; D238-R415 IonicContact OD2-NH2 3.35Å; D240-R415 IonicContact OD1-CZ 3.54Å; D240-R415 IonicContact OD1-NH2 2.74Å; D240-R415 PolarHBondContact OD1-NH2 2.82Å; D240-R415 IonicContact OD2-CZ 3.8Å; D240-R415 IonicContact OD2-NH2 3.32Å; D240-R415 PolarHBondContact OD2-NH2 2.82Å; Y359-R415 PolarHBondContact OH-NH1 3.19Å; H365-R415 WeakPolarHBondContact CE1-CD 3.2Å; S389-R415 PolarHBondContact OG-NH1 3.01Å; T390-R415 VanDerWaalsContact C-CB 3.5Å; T390-R415 PolarHBondContact O-N 3.16Å; E391-R415 HydrophobicContact CB-CB 4.3Å; R402-R415 WeakPolarHBondContact CD-O 3.49Å; R402-R415 PolarHBondContact NH1-O 2.75Å; L413-R415 PolarHBondContact O-N 3.29Å; R415-I457 CarbonylContact C-O 3.59Å; R415-I457 WeakPolarHBondContact CA-O 3.48Å; R415-I457 HydrophobicContact CG-CG2 4.31Å; R415-I457 WeakPolarHBondContact CG-O 3.29Å; R415-M459 HydrophobicContact CG-CB 4.27Å |
| 416 | Q | 95.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 150.3 | -176.9 | -53.1 | -53.1 | -41.9 | 0 | 0 | 110.6 | P414 T449 I457 F458 M459 | P414-Q416 PolarHBondContact O-NE2 3.08Å; P414-Q416 VanDerWaalsContact O-NE2 3.09Å; Q416-T449 HydrophobicContact CB-CG2 4.33Å; Q416-T449 HydrophobicContact CG-CG2 4.33Å; Q416-I457 PolarHBondContact N-O 2.97Å; Q416-F458 HydrophobicContact CB-CD1 3.73Å; Q416-F458 HydrophobicContact CB-CE1 3.71Å; Q416-F458 HydrophobicContact CB-CG 4.22Å; Q416-F458 HydrophobicContact CB-CZ 4.18Å; Q416-F458 WeakPolarHBondContact O-CA 3.25Å; Q416-M459 PolarHBondContact O-N 3.39Å |
| 417 | T | 93.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.2 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 418 | C | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | trans | -109.5 | 12.6 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L420 L446 F458 F475 | C418-L420 PolarHBondContact O-N 2.84Å; C418-L446 HydrophobicContact CB-CD1 3.88Å; C418-L446 HydrophobicContact CB-CD2 4.49Å; C418-F458 HydrophobicContact CB-CD1 3.92Å; C418-F458 HydrophobicContact CB-CE1 4.05Å; C418-F475 HydrophobicContact CB-CZ 4.21Å | ||
| 419 | G | 91.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 80.9 | -2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F430 | G419-F430 WeakPolarHBondContact O-CE2 3.46Š|
| 420 | L | 92.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | trans | -94.9 | 123 | 173.4 | -57 | 176.9 | 0 | 0 | 0 | 109.6 | C418 T424 F430 N464 L470 A471 | C418-L420 PolarHBondContact O-N 2.84Å; L420-T424 HydrophobicContact CD2-CG2 4.16Å; L420-F430 HydrophobicContact CD2-CD2 3.8Å; L420-F430 HydrophobicContact CD2-CE2 3.88Å; L420-N464 HydrophobicContact CD1-CB 4.43Å; L420-L470 HydrophobicContact CD1-CB 4.3Å; L420-L470 HydrophobicContact CD2-CB 3.99Å; L420-L470 HydrophobicContact CD2-CD2 4.01Å; L420-A471 VanDerWaalsContact CD1-CA 3.49Å; L420-A471 HydrophobicContact CD1-CB 3.78Å | ||
| 421 | Y | 88.7 | Confident | 92.1 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | trans | -110.8 | 170.6 | 177.7 | -57.9 | -80.8 | 0 | 0 | 0 | 110.3 | H423 T424 N464 | Y421-H423 PolarHBondContact O-N 3.26Å; Y421-T424 PolarHBondContact N-OG1 2.77Å; Y421-T424 WeakPolarHBondContact O-CB 3.34Å; Y421-T424 PolarHBondContact O-N 3.2Å; Y421-T424 PolarHBondContact O-OG1 2.9Å; Y421-N464 PolarHBondContact O-ND2 3.2Å | ||
| 422 | T | 83.8 | Confident | 91.7 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.8 | -176.2 | -35.7 | 0 | 0 | 0 | 0 | 113.8 | H461 | T422-H461 HydrophobicContact CG2-CB 4.37Å; T422-H461 PolarHBondContact OG1-CD2 2.74Å; T422-H461 PolarHBondContact OG1-CE1 3.03Å; T422-H461 PolarHBondContact OG1-NE2 3.19Å; T422-H461 VanDerWaalsContact OG1-NE2 3.08Å |
| 423 | H | 84.2 | Confident | 91.4 | Very high | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.9 | -179 | 62.6 | -86.8 | 0 | 0 | 0 | 114 | Y421 I425 Q429 | Y421-H423 PolarHBondContact O-N 3.26Å; H423-I425 PolarHBondContact O-N 2.9Å; H423-Q429 PolarHBondContact O-OE1 3.18Å; H423-Q429 VanDerWaalsContact O-OE1 3.08Å |
| 424 | T | 89.4 | Confident | 91.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -88.8 | 81.6 | -179.9 | -42.8 | 0 | 0 | 0 | 0 | 109.6 | L420 Y421 F430 N464 L470 | L420-T424 HydrophobicContact CD2-CG2 4.16Å; Y421-T424 PolarHBondContact N-OG1 2.77Å; Y421-T424 WeakPolarHBondContact O-CB 3.34Å; Y421-T424 PolarHBondContact O-N 3.2Å; Y421-T424 PolarHBondContact O-OG1 2.9Å; T424-F430 HydrophobicContact CG2-CB 4.14Å; T424-F430 HydrophobicContact CG2-CD2 4Å; T424-N464 PolarHBondContact O-ND2 3.17Å; T424-L470 HydrophobicContact CG2-CD2 3.75Å | ||
| 425 | I | 88.4 | Confident | 91 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | trans | -97.5 | -42.7 | -175.7 | -55.1 | 175.6 | 0 | 0 | 0 | 110.7 | H423 A463 R467 L470 | H423-I425 PolarHBondContact O-N 2.9Å; I425-A463 HydrophobicContact CD1-CB 4.47Å; I425-A463 HydrophobicContact CG1-CB 4.08Å; I425-R467 HydrophobicContact CG2-CB 3.94Å; I425-R467 HydrophobicContact CG2-CG 3.78Å; I425-L470 WeakPolarHBondContact O-CD1 3.38Å | ||
| 426 | Y | 92.5 | Very high | 90.9 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 35% | 0.349 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -106.7 | 152.4 | -177.7 | -60.1 | -76.1 | 0 | 0 | 0 | 111.8 | N428 Q429 R467 D468 | Y426-N428 WeakPolarHBondContact CB-OD1 3.36Å; Y426-N428 PolarHBondContact O-N 3.28Å; Y426-Q429 WeakPolarHBondContact O-CB 3.5Å; Y426-Q429 PolarHBondContact O-N 2.86Å; Y426-R467 HydrophobicContact CD1-CB 4.46Å; Y426-R467 HydrophobicContact CE1-CB 4Å; Y426-R467 HydrophobicContact CE1-CG 4.18Å; Y426-D468 VanDerWaalsContact CA-OD2 3.3Å; Y426-D468 WeakPolarHBondContact CA-OD2 3.39Å |
| 427 | M | 90.7 | Very high | 90.9 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -60.2 | -31.2 | -179 | -172.6 | 62.7 | 71.6 | 0 | 0 | 112.5 | Q429 F430 K434 L437 D468 L470 Y473 | M427-Q429 VanDerWaalsContact C-N 3.32Å; M427-F430 PolarHBondContact O-N 3.23Å; M427-K434 HydrophobicContact CE-CG 4.39Å; M427-K434 HydrophobicContact CG-CB 3.75Å; M427-K434 HydrophobicContact CG-CG 4.32Å; M427-K434 HydrophobicContact SD-CB 3.72Å; M427-K434 HydrophobicContact SD-CG 3.91Å; M427-L437 HydrophobicContact CE-CD2 4.14Å; M427-L437 HydrophobicContact SD-CD2 3.91Å; M427-D468 PolarHBondContact N-OD2 3.33Å; M427-L470 HydrophobicContact CE-CD1 4.41Å; M427-L470 HydrophobicContact CE-CG 4.22Å; M427-Y473 HydrophobicContact CE-CD1 4.33Å |
| 428 | N | 89.5 | Confident | 91 | Very high | 133 Ų | 133 | 55.6 Ų | 55.6 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -76.6 | -14.8 | 176.7 | 66.4 | -3.6 | 0 | 0 | 0 | 113.9 | Y426 | Y426-N428 WeakPolarHBondContact CB-OD1 3.36Å; Y426-N428 PolarHBondContact O-N 3.28Å |
| 429 | Q | 90.1 | Very high | 91 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -87.1 | -14.3 | 175.4 | -67.5 | 174.1 | -30 | 0 | 0 | 112.4 | H423 Y426 M427 P431 | H423-Q429 PolarHBondContact O-OE1 3.18Å; H423-Q429 VanDerWaalsContact O-OE1 3.08Å; Y426-Q429 WeakPolarHBondContact O-CB 3.5Å; Y426-Q429 PolarHBondContact O-N 2.86Å; M427-Q429 VanDerWaalsContact C-N 3.32Å; Q429-P431 WeakPolarHBondContact O-CD 3.44Å |
| 430 | F | 90.6 | Very high | 91.3 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -64 | 128.3 | 171.9 | -168.6 | -87.9 | 0 | 0 | 0 | 108.9 | G419 L420 T424 M427 G432 G433 Q436 L437 L470 | G419-F430 WeakPolarHBondContact O-CE2 3.46Å; L420-F430 HydrophobicContact CD2-CD2 3.8Å; L420-F430 HydrophobicContact CD2-CE2 3.88Å; T424-F430 HydrophobicContact CG2-CB 4.14Å; T424-F430 HydrophobicContact CG2-CD2 4Å; M427-F430 PolarHBondContact O-N 3.23Å; F430-G432 PolarHBondContact O-N 3.41Å; F430-G432 VanDerWaalsContact O-N 3.07Å; F430-G433 WeakPolarHBondContact CD1-O 3.48Å; F430-G433 WeakPolarHBondContact O-CA 3.45Å; F430-G433 PolarHBondContact O-N 2.83Å; F430-Q436 HydrophobicContact CD1-CB 4.28Å; F430-Q436 HydrophobicContact CE1-CB 4Å; F430-Q436 HydrophobicContact CE1-CG 3.96Å; F430-L437 HydrophobicContact CD1-CB 3.88Å; F430-L437 HydrophobicContact CD2-CB 4.34Å; F430-L437 HydrophobicContact CD2-CD1 4.2Å; F430-L437 HydrophobicContact CE1-CB 3.82Å; F430-L437 HydrophobicContact CE2-CB 4.29Å; F430-L437 HydrophobicContact CE2-CD1 3.69Å; F430-L437 HydrophobicContact CE2-CG 4.48Å; F430-L437 HydrophobicContact CG-CB 4.15Å; F430-L437 HydrophobicContact CZ-CB 4.03Å; F430-L437 HydrophobicContact CZ-CD1 3.87Å; F430-L470 HydrophobicContact CB-CD2 4.48Å |
| 431 | P | 89.5 | Confident | 91.5 | Very high | 82 Ų | 82 | 61 Ų | 61 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 116.6 | 178.7 | -26.4 | 35.2 | 0 | 0 | 0 | 111.6 | Q429 Q436 | Q429-P431 WeakPolarHBondContact O-CD 3.44Å; P431-Q436 WeakPolarHBondContact O-CB 3.43Å; P431-Q436 VanDerWaalsContact O-CG 3.28Å; P431-Q436 WeakPolarHBondContact O-CG 3.34Å |
| 432 | G | 90.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 6.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F430 | F430-G432 PolarHBondContact O-N 3.41Å; F430-G432 VanDerWaalsContact O-N 3.07Å |
| 433 | G | 92.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | 65.2 | -162.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F430 S435 Q436 L437 | F430-G433 WeakPolarHBondContact CD1-O 3.48Å; F430-G433 WeakPolarHBondContact O-CA 3.45Å; F430-G433 PolarHBondContact O-N 2.83Å; G433-S435 VanDerWaalsContact C-N 3.28Å; G433-S435 PolarHBondContact O-N 2.91Å; G433-Q436 PolarHBondContact O-N 3.09Å; G433-Q436 VanDerWaalsContact O-N 3.1Å; G433-L437 PolarHBondContact O-N 3.29Å |
| 434 | K | 93.7 | Very high | 93 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.6 | -42.3 | -178.2 | -172.1 | -178 | -176.8 | -58.9 | 0 | 113.2 | M427 Q436 L437 D438 Y473 | M427-K434 HydrophobicContact CE-CG 4.39Å; M427-K434 HydrophobicContact CG-CB 3.75Å; M427-K434 HydrophobicContact CG-CG 4.32Å; M427-K434 HydrophobicContact SD-CB 3.72Å; M427-K434 HydrophobicContact SD-CG 3.91Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.35Å; K434-L437 PolarHBondContact O-N 3.05Å; K434-D438 VanDerWaalsContact NZ-CG 3.26Å; K434-D438 IonicContact NZ-OD1 3.89Å; K434-D438 PolarHBondContact NZ-OD1 3.36Å; K434-D438 VanDerWaalsContact NZ-OD1 3.12Å; K434-D438 IonicContact NZ-OD2 2.85Å; K434-D438 PolarHBondContact NZ-OD2 2.87Å; K434-D438 WeakPolarHBondContact O-CB 3.4Å; K434-D438 VanDerWaalsContact O-CG 3.23Å; K434-D438 PolarHBondContact O-N 3.48Å; K434-Y473 PolarHBondContact NZ-OH 3.17Å |
| 435 | S | 94.1 | Very high | 93.2 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | -178.9 | -177.3 | 0 | 0 | 0 | 0 | 112 | G433 K439 | G433-S435 VanDerWaalsContact C-N 3.28Å; G433-S435 PolarHBondContact O-N 2.91Å; S435-K439 WeakPolarHBondContact O-CB 3.28Å; S435-K439 VanDerWaalsContact O-CG 3.25Å; S435-K439 WeakPolarHBondContact O-CG 3.33Å; S435-K439 PolarHBondContact O-N 3.15Å |
| 436 | Q | 94.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 178.3 | -171.3 | 57.9 | 34.8 | 0 | 0 | 112.1 | F430 P431 G433 K434 K439 S440 | F430-Q436 HydrophobicContact CD1-CB 4.28Å; F430-Q436 HydrophobicContact CE1-CB 4Å; F430-Q436 HydrophobicContact CE1-CG 3.96Å; P431-Q436 WeakPolarHBondContact O-CB 3.43Å; P431-Q436 VanDerWaalsContact O-CG 3.28Å; P431-Q436 WeakPolarHBondContact O-CG 3.34Å; G433-Q436 PolarHBondContact O-N 3.09Å; G433-Q436 VanDerWaalsContact O-N 3.1Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.35Å; Q436-K439 PolarHBondContact O-N 3.41Å; Q436-S440 PolarHBondContact O-N 2.86Å; Q436-S440 VanDerWaalsContact O-N 3.13Å |
| 437 | L | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 172.7 | 178.7 | 58.9 | 0 | 0 | 0 | 111 | M427 F430 G433 K434 K439 S440 I441 Y473 T474 | M427-L437 HydrophobicContact CE-CD2 4.14Å; M427-L437 HydrophobicContact SD-CD2 3.91Å; F430-L437 HydrophobicContact CD1-CB 3.88Å; F430-L437 HydrophobicContact CD2-CB 4.34Å; F430-L437 HydrophobicContact CD2-CD1 4.2Å; F430-L437 HydrophobicContact CE1-CB 3.82Å; F430-L437 HydrophobicContact CE2-CB 4.29Å; F430-L437 HydrophobicContact CE2-CD1 3.69Å; F430-L437 HydrophobicContact CE2-CG 4.48Å; F430-L437 HydrophobicContact CG-CB 4.15Å; F430-L437 HydrophobicContact CZ-CB 4.03Å; F430-L437 HydrophobicContact CZ-CD1 3.87Å; G433-L437 PolarHBondContact O-N 3.29Å; K434-L437 PolarHBondContact O-N 3.05Å; L437-K439 VanDerWaalsContact C-N 3.31Å; L437-K439 PolarHBondContact O-N 3.21Å; L437-S440 WeakPolarHBondContact O-CB 3.42Å; L437-S440 PolarHBondContact O-N 2.76Å; L437-I441 HydrophobicContact CD1-CD1 3.96Å; L437-I441 HydrophobicContact CD1-CG1 4.4Å; L437-I441 HydrophobicContact CG-CD1 3.8Å; L437-I441 WeakPolarHBondContact O-CG1 3.33Å; L437-I441 PolarHBondContact O-N 2.6Å; L437-Y473 HydrophobicContact CD2-CD1 4.08Å; L437-Y473 HydrophobicContact CD2-CE1 4.28Å; L437-T474 HydrophobicContact CD1-CG2 4.31Å |
| 438 | D | 96.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -43.8 | 176.2 | -70.4 | -8.3 | 0 | 0 | 0 | 111.2 | K434 S440 I441 F442 Y473 | K434-D438 VanDerWaalsContact NZ-CG 3.26Å; K434-D438 IonicContact NZ-OD1 3.89Å; K434-D438 PolarHBondContact NZ-OD1 3.36Å; K434-D438 VanDerWaalsContact NZ-OD1 3.12Å; K434-D438 IonicContact NZ-OD2 2.85Å; K434-D438 PolarHBondContact NZ-OD2 2.87Å; K434-D438 WeakPolarHBondContact O-CB 3.4Å; K434-D438 VanDerWaalsContact O-CG 3.23Å; K434-D438 PolarHBondContact O-N 3.48Å; D438-S440 PolarHBondContact O-N 3.39Å; D438-I441 PolarHBondContact O-N 2.81Å; D438-I441 VanDerWaalsContact O-N 3.14Å; D438-F442 HydrophobicContact CB-CD2 3.92Å; D438-F442 HydrophobicContact CB-CE2 4.03Å; D438-F442 VanDerWaalsContact O-CD2 3.25Å; D438-F442 WeakPolarHBondContact O-CD2 3.28Å; D438-F442 PolarHBondContact O-N 2.93Å; D438-Y473 PolarHBondContact OD1-OH 3.3Å |
| 439 | K | 95 | Very high | 94.7 | Very high | 131 Ų | 131 | 45.5 Ų | 45.5 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.1 | -33.2 | 175.6 | -80.7 | 174.5 | -177.6 | 177.5 | 0 | 112.8 | S435 Q436 L437 G444 | S435-K439 WeakPolarHBondContact O-CB 3.28Å; S435-K439 VanDerWaalsContact O-CG 3.25Å; S435-K439 WeakPolarHBondContact O-CG 3.33Å; S435-K439 PolarHBondContact O-N 3.15Å; Q436-K439 PolarHBondContact O-N 3.41Å; L437-K439 VanDerWaalsContact C-N 3.31Å; L437-K439 PolarHBondContact O-N 3.21Å; K439-G444 WeakPolarHBondContact O-CA 3.41Å; K439-G444 PolarHBondContact O-N 3.3Å |
| 440 | S | 96.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -40.1 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | Q436 L437 D438 G444 E445 L446 F447 | Q436-S440 PolarHBondContact O-N 2.86Å; Q436-S440 VanDerWaalsContact O-N 3.13Å; L437-S440 WeakPolarHBondContact O-CB 3.42Å; L437-S440 PolarHBondContact O-N 2.76Å; D438-S440 PolarHBondContact O-N 3.39Å; S440-G444 CarbonylContact O-C 3.52Å; S440-G444 VanDerWaalsContact O-CA 3.28Å; S440-G444 WeakPolarHBondContact O-CA 3.32Å; S440-G444 PolarHBondContact O-N 3.45Å; S440-E445 PolarHBondContact O-N 3.17Å; S440-L446 WeakPolarHBondContact O-CB 3.29Å; S440-L446 PolarHBondContact O-N 3.39Å; S440-L446 VanDerWaalsContact O-N 3.07Å; S440-L446 WeakPolarHBondContact OG-CB 3.32Å; S440-L446 PolarHBondContact OG-N 3.26Å; S440-F447 PolarHBondContact O-N 3.39Å |
| 441 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74 | -48.5 | -176.8 | -66.6 | 163.5 | 0 | 0 | 0 | 112.2 | L437 D438 G443 L446 F447 Y473 T474 V478 | L437-I441 HydrophobicContact CD1-CD1 3.96Å; L437-I441 HydrophobicContact CD1-CG1 4.4Å; L437-I441 HydrophobicContact CG-CD1 3.8Å; L437-I441 WeakPolarHBondContact O-CG1 3.33Å; L437-I441 PolarHBondContact O-N 2.6Å; D438-I441 PolarHBondContact O-N 2.81Å; D438-I441 VanDerWaalsContact O-N 3.14Å; I441-G443 PolarHBondContact O-N 3.26Å; I441-L446 HydrophobicContact CG1-CD2 4.14Å; I441-F447 WeakPolarHBondContact O-CB 3.41Å; I441-Y473 HydrophobicContact CD1-CD1 4.4Å; I441-Y473 HydrophobicContact CD1-CE1 4.07Å; I441-T474 HydrophobicContact CD1-CG2 4.15Å; I441-T474 HydrophobicContact CG1-CG2 4.14Å; I441-V478 HydrophobicContact CG2-CB 4.01Å; I441-V478 HydrophobicContact CG2-CG2 4.5Å |
| 442 | F | 96.2 | Very high | 95.8 | Very high | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.333 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -96.3 | 85.6 | -170.1 | -56.2 | -57.3 | 0 | 0 | 0 | 110.4 | D438 G444 F481 | D438-F442 HydrophobicContact CB-CD2 3.92Å; D438-F442 HydrophobicContact CB-CE2 4.03Å; D438-F442 VanDerWaalsContact O-CD2 3.25Å; D438-F442 WeakPolarHBondContact O-CD2 3.28Å; D438-F442 PolarHBondContact O-N 2.93Å; F442-G444 VanDerWaalsContact C-N 3.3Å; F442-G444 PolarHBondContact O-N 3Å; F442-F481 HydrophobicContact CB-CD2 4.34Å; F442-F481 HydrophobicContact CB-CE2 4.01Å; F442-F481 HydrophobicContact CB-CZ 4.29Å; F442-F481 HydrophobicContact CD1-CB 4.17Å; F442-F481 AromaticContact CD1-CD2 3.5Å; F442-F481 HydrophobicContact CD1-CD2 3.5Å; F442-F481 HydrophobicContact CD1-CE2 4.01Å; F442-F481 AromaticContact CD1-CG 3.93Å; F442-F481 HydrophobicContact CD1-CG 3.93Å; F442-F481 HydrophobicContact CE1-CD2 4.32Å; F442-F481 HydrophobicContact CG-CD2 4.37Å; F442-F481 HydrophobicContact CG-CE2 4.46Å |
| 443 | G | 95.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 35 Ų | 35 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 79.1 | 9.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W209 I441 Y448 F481 | W209-G443 WeakPolarHBondContact CB-O 3.33Å; I441-G443 PolarHBondContact O-N 3.26Å; G443-Y448 VanDerWaalsContact O-CE2 3.31Å; G443-Y448 WeakPolarHBondContact O-CE2 3.37Å; G443-F481 VanDerWaalsContact N-CE1 3.25Å |
| 444 | G | 95.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 16% | 0.155 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -98.6 | -154.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K439 S440 F442 F447 Y448 | K439-G444 WeakPolarHBondContact O-CA 3.41Å; K439-G444 PolarHBondContact O-N 3.3Å; S440-G444 CarbonylContact O-C 3.52Å; S440-G444 VanDerWaalsContact O-CA 3.28Å; S440-G444 WeakPolarHBondContact O-CA 3.32Å; S440-G444 PolarHBondContact O-N 3.45Å; F442-G444 VanDerWaalsContact C-N 3.3Å; F442-G444 PolarHBondContact O-N 3Å; G444-F447 PolarHBondContact O-N 3.43Å; G444-Y448 WeakPolarHBondContact O-CD2 3.38Å; G444-Y448 PolarHBondContact O-N 3.3Å |
| 445 | E | 95 | Very high | 96.6 | Very high | 137 Ų | 137 | 30 Ų | 30 | 64% | 0.64 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -56.4 | -51.7 | -176.7 | -174.9 | 179.6 | 173.1 | 0 | 0 | 112.3 | S440 F447 Y448 T449 | S440-E445 PolarHBondContact O-N 3.17Å; E445-F447 PolarHBondContact O-N 2.82Å; E445-Y448 PolarHBondContact O-N 3.4Å; E445-Y448 VanDerWaalsContact O-N 3.14Å; E445-T449 PolarHBondContact O-N 3.49Å; E445-T449 PolarHBondContact O-OG1 3Å; E445-T449 VanDerWaalsContact O-OG1 3.1Å |
| 446 | L | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -43 | -179 | -177.8 | 61.8 | 0 | 0 | 0 | 111.8 | C418 S440 I441 Y448 T449 F450 F458 T474 V478 | C418-L446 HydrophobicContact CB-CD1 3.88Å; C418-L446 HydrophobicContact CB-CD2 4.49Å; S440-L446 WeakPolarHBondContact O-CB 3.29Å; S440-L446 PolarHBondContact O-N 3.39Å; S440-L446 VanDerWaalsContact O-N 3.07Å; S440-L446 WeakPolarHBondContact OG-CB 3.32Å; S440-L446 PolarHBondContact OG-N 3.26Å; I441-L446 HydrophobicContact CG1-CD2 4.14Å; L446-Y448 VanDerWaalsContact C-N 3.3Å; L446-Y448 PolarHBondContact O-N 3.13Å; L446-T449 WeakPolarHBondContact O-CB 3.27Å; L446-T449 PolarHBondContact O-N 3.06Å; L446-F450 HydrophobicContact CD1-CD2 4.35Å; L446-F450 HydrophobicContact CD1-CE2 4.08Å; L446-F450 HydrophobicContact CG-CE2 4.39Å; L446-F450 WeakPolarHBondContact O-CD2 3.49Å; L446-F450 PolarHBondContact O-N 2.97Å; L446-F458 HydrophobicContact CD1-CE1 3.61Å; L446-F458 HydrophobicContact CD1-CZ 3.64Å; L446-T474 HydrophobicContact CD2-CG2 3.34Å; L446-V478 HydrophobicContact CD2-CB 4.17Å; L446-V478 HydrophobicContact CD2-CG1 4.2Å; L446-V478 HydrophobicContact CD2-CG2 4.34Å; L446-V478 HydrophobicContact CG-CB 4.49Å; L446-V478 HydrophobicContact CG-CG2 4.15Å |
| 447 | F | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.6 | -47.1 | 173.5 | 170.6 | -106 | 0 | 0 | 0 | 111.4 | W209 L213 S440 I441 G444 E445 T449 F450 V451 F481 I482 T486 | W209-F447 HydrophobicContact CE3-CD1 4.35Å; W209-F447 AromaticContact CE3-CE1 3.79Å; W209-F447 HydrophobicContact CE3-CE1 3.79Å; W209-F447 HydrophobicContact CE3-CZ 4.41Å; W209-F447 HydrophobicContact CH2-CZ 4.47Å; W209-F447 HydrophobicContact CZ3-CD1 4.43Å; W209-F447 AromaticContact CZ3-CE1 3.55Å; W209-F447 HydrophobicContact CZ3-CE1 3.55Å; W209-F447 AromaticContact CZ3-CZ 3.73Å; W209-F447 HydrophobicContact CZ3-CZ 3.73Å; L213-F447 HydrophobicContact CD2-CZ 4.46Å; S440-F447 PolarHBondContact O-N 3.39Å; I441-F447 WeakPolarHBondContact O-CB 3.41Å; G444-F447 PolarHBondContact O-N 3.43Å; E445-F447 PolarHBondContact O-N 2.82Å; F447-T449 VanDerWaalsContact C-N 3.33Å; F447-T449 PolarHBondContact O-N 3.03Å; F447-F450 WeakPolarHBondContact O-CB 3.41Å; F447-F450 PolarHBondContact O-N 3.21Å; F447-F450 VanDerWaalsContact O-N 3.14Å; F447-V451 HydrophobicContact CD1-CG2 4.17Å; F447-V451 HydrophobicContact CD2-CG2 4.43Å; F447-V451 HydrophobicContact CE1-CG2 3.7Å; F447-V451 HydrophobicContact CE2-CG2 4Å; F447-V451 HydrophobicContact CZ-CG2 3.62Å; F447-V451 WeakPolarHBondContact O-CG2 3.26Å; F447-V451 PolarHBondContact O-N 3.06Å; F447-F481 AromaticContact CD2-CD1 3.55Å; F447-F481 HydrophobicContact CD2-CD1 3.55Å; F447-F481 AromaticContact CD2-CE1 3.85Å; F447-F481 HydrophobicContact CD2-CE1 3.85Å; F447-F481 AromaticContact CE2-CD1 3.81Å; F447-F481 HydrophobicContact CE2-CD1 3.81Å; F447-F481 AromaticContact CE2-CE1 3.95Å; F447-F481 HydrophobicContact CE2-CE1 3.95Å; F447-F481 HydrophobicContact CG-CD1 4.19Å; F447-F481 HydrophobicContact CG-CE1 4.15Å; F447-F481 HydrophobicContact CZ-CE1 4.36Å; F447-I482 HydrophobicContact CD2-CG1 3.9Å; F447-I482 HydrophobicContact CE2-CG1 4.03Å; F447-T486 HydrophobicContact CE2-CG2 3.92Å; F447-T486 HydrophobicContact CZ-CG2 3.85Å |
| 448 | Y | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.2 | -27 | 179.7 | -82.3 | -59.8 | 0 | 0 | 0 | 114.1 | W209 K212 L213 G443 G444 E445 L446 F450 V451 F452 | W209-Y448 PolarHBondContact O-OH 3.04Å; K212-Y448 HydrophobicContact CB-CD1 4.34Å; K212-Y448 HydrophobicContact CB-CE1 3.59Å; K212-Y448 HydrophobicContact CB-CE2 4.24Å; K212-Y448 HydrophobicContact CD-CD2 4.09Å; K212-Y448 HydrophobicContact CD-CE1 4.39Å; K212-Y448 HydrophobicContact CD-CE2 3.85Å; K212-Y448 HydrophobicContact CD-CG 4.48Å; L213-Y448 HydrophobicContact CB-CE1 4.43Å; G443-Y448 VanDerWaalsContact O-CE2 3.31Å; G443-Y448 WeakPolarHBondContact O-CE2 3.37Å; G444-Y448 WeakPolarHBondContact O-CD2 3.38Å; G444-Y448 PolarHBondContact O-N 3.3Å; E445-Y448 PolarHBondContact O-N 3.4Å; E445-Y448 VanDerWaalsContact O-N 3.14Å; L446-Y448 VanDerWaalsContact C-N 3.3Å; L446-Y448 PolarHBondContact O-N 3.13Å; Y448-F450 VanDerWaalsContact C-N 3.3Å; Y448-F450 PolarHBondContact O-N 3.19Å; Y448-V451 HydrophobicContact CD1-CB 4.06Å; Y448-V451 HydrophobicContact CD1-CG1 4.31Å; Y448-V451 HydrophobicContact CD1-CG2 4.25Å; Y448-V451 HydrophobicContact CE1-CG2 4.46Å; Y448-V451 PolarHBondContact O-N 3.42Å; Y448-F452 HydrophobicContact CD1-CD2 4.11Å; Y448-F452 HydrophobicContact CD1-CE1 4.18Å; Y448-F452 AromaticContact CD1-CE2 3.34Å; Y448-F452 HydrophobicContact CD1-CE2 3.34Å; Y448-F452 AromaticContact CD1-CZ 3.36Å; Y448-F452 HydrophobicContact CD1-CZ 3.36Å; Y448-F452 HydrophobicContact CE1-CE2 4.3Å; Y448-F452 AromaticContact CE1-CZ 3.92Å; Y448-F452 HydrophobicContact CE1-CZ 3.92Å; Y448-F452 HydrophobicContact CG-CD2 4.4Å; Y448-F452 AromaticContact CG-CE2 3.72Å; Y448-F452 HydrophobicContact CG-CE2 3.72Å; Y448-F452 HydrophobicContact CG-CZ 4.19Å; Y448-F452 WeakPolarHBondContact O-CB 3.37Å; Y448-F452 WeakPolarHBondContact O-CD2 3.34Å; Y448-F452 WeakPolarHBondContact O-CG 3.12Å; Y448-F452 PolarHBondContact O-N 2.94Å |
| 449 | T | 97.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 168.4 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | Q416 E445 L446 F447 N453 L456 F458 | Q416-T449 HydrophobicContact CB-CG2 4.33Å; Q416-T449 HydrophobicContact CG-CG2 4.33Å; E445-T449 PolarHBondContact O-N 3.49Å; E445-T449 PolarHBondContact O-OG1 3Å; E445-T449 VanDerWaalsContact O-OG1 3.1Å; L446-T449 WeakPolarHBondContact O-CB 3.27Å; L446-T449 PolarHBondContact O-N 3.06Å; F447-T449 VanDerWaalsContact C-N 3.33Å; F447-T449 PolarHBondContact O-N 3.03Å; T449-N453 WeakPolarHBondContact O-CB 3.2Å; T449-N453 PolarHBondContact O-N 3.45Å; T449-N453 VanDerWaalsContact O-N 3.14Å; T449-N453 PolarHBondContact O-ND2 3.14Å; T449-L456 HydrophobicContact CG2-CD2 4.12Å; T449-L456 WeakPolarHBondContact O-CD2 3.46Å; T449-F458 HydrophobicContact CG2-CE1 4.09Å; T449-F458 HydrophobicContact CG2-CZ 3.66Å |
| 450 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | 174.3 | -83.7 | -104 | 0 | 0 | 0 | 113.2 | R233 L235 L446 F447 Y448 L456 F458 F475 V478 V479 I482 L490 | R233-F450 WeakPolarHBondContact CD-O 3.4Å; R233-F450 PolarHBondContact NE-O 3.48Å; L235-F450 HydrophobicContact CD1-CE1 4.01Å; L235-F450 HydrophobicContact CD1-CZ 3.91Å; L235-F450 HydrophobicContact CD2-CE1 4.2Å; L235-F450 HydrophobicContact CD2-CZ 4.39Å; L446-F450 HydrophobicContact CD1-CD2 4.35Å; L446-F450 HydrophobicContact CD1-CE2 4.08Å; L446-F450 HydrophobicContact CG-CE2 4.39Å; L446-F450 WeakPolarHBondContact O-CD2 3.49Å; L446-F450 PolarHBondContact O-N 2.97Å; F447-F450 WeakPolarHBondContact O-CB 3.41Å; F447-F450 PolarHBondContact O-N 3.21Å; F447-F450 VanDerWaalsContact O-N 3.14Å; Y448-F450 VanDerWaalsContact C-N 3.3Å; Y448-F450 PolarHBondContact O-N 3.19Å; F450-L456 HydrophobicContact CB-CD1 4.32Å; F450-L456 HydrophobicContact CD1-CD1 3.31Å; F450-L456 HydrophobicContact CE1-CD1 3.67Å; F450-L456 HydrophobicContact CG-CD1 3.8Å; F450-L456 HydrophobicContact CZ-CD1 4.4Å; F450-F458 HydrophobicContact CD2-CE2 4.17Å; F450-F458 HydrophobicContact CD2-CZ 4.12Å; F450-F458 AromaticContact CE2-CE2 3.53Å; F450-F458 HydrophobicContact CE2-CE2 3.53Å; F450-F458 AromaticContact CE2-CZ 3.71Å; F450-F458 HydrophobicContact CE2-CZ 3.71Å; F450-F458 AromaticContact CZ-CE2 3.82Å; F450-F458 HydrophobicContact CZ-CE2 3.82Å; F450-F458 HydrophobicContact CZ-CZ 4.45Å; F450-F475 HydrophobicContact CZ-CD1 4.25Å; F450-F475 HydrophobicContact CZ-CE1 4.35Å; F450-V478 HydrophobicContact CD2-CG1 4.28Å; F450-V478 HydrophobicContact CD2-CG2 4.21Å; F450-V478 HydrophobicContact CE2-CG1 3.64Å; F450-V478 HydrophobicContact CE2-CG2 4.37Å; F450-V478 HydrophobicContact CZ-CG1 3.85Å; F450-V479 HydrophobicContact CE1-CG1 4.35Å; F450-I482 HydrophobicContact CB-CD1 3.36Å; F450-I482 HydrophobicContact CB-CG1 4.28Å; F450-I482 HydrophobicContact CD1-CD1 3.23Å; F450-I482 HydrophobicContact CD2-CD1 4.03Å; F450-I482 HydrophobicContact CE1-CD1 3.96Å; F450-I482 HydrophobicContact CG-CD1 3.28Å; F450-L490 HydrophobicContact CD1-CD1 4.38Å; F450-L490 HydrophobicContact CD1-CD2 4.06Å; F450-L490 HydrophobicContact CE1-CD1 4.21Å; F450-L490 HydrophobicContact CE1-CD2 4.46Å |
| 451 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 179.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L213 L216 R233 F447 Y448 L488 | L213-V451 HydrophobicContact CD1-CG1 3.64Å; L213-V451 HydrophobicContact CD1-CG2 4.06Å; L216-V451 HydrophobicContact CD2-CG1 3.69Å; R233-V451 PolarHBondContact NE-O 3.05Å; R233-V451 PolarHBondContact NH2-O 3.44Å; F447-V451 HydrophobicContact CD1-CG2 4.17Å; F447-V451 HydrophobicContact CD2-CG2 4.43Å; F447-V451 HydrophobicContact CE1-CG2 3.7Å; F447-V451 HydrophobicContact CE2-CG2 4Å; F447-V451 HydrophobicContact CZ-CG2 3.62Å; F447-V451 WeakPolarHBondContact O-CG2 3.26Å; F447-V451 PolarHBondContact O-N 3.06Å; Y448-V451 HydrophobicContact CD1-CB 4.06Å; Y448-V451 HydrophobicContact CD1-CG1 4.31Å; Y448-V451 HydrophobicContact CD1-CG2 4.25Å; Y448-V451 HydrophobicContact CE1-CG2 4.46Å; Y448-V451 PolarHBondContact O-N 3.42Å; V451-L488 HydrophobicContact CG2-CD1 4.38Å |
| 452 | F | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -91.5 | -14.9 | -168.2 | -60.5 | -43 | 0 | 0 | 0 | 115.3 | I33 Y36 K212 L216 L229 Y448 | I33-F452 HydrophobicContact CD1-CZ 4.01Å; I33-F452 HydrophobicContact CG1-CE1 4.25Å; I33-F452 HydrophobicContact CG1-CE2 3.86Å; I33-F452 HydrophobicContact CG1-CZ 3.64Å; I33-F452 HydrophobicContact CG2-CE1 4.06Å; I33-F452 HydrophobicContact CG2-CZ 4.31Å; Y36-F452 HydrophobicContact CD1-CB 4.21Å; Y36-F452 HydrophobicContact CD2-CB 3.94Å; Y36-F452 AromaticContact CD2-CD2 3.86Å; Y36-F452 HydrophobicContact CD2-CD2 3.86Å; Y36-F452 HydrophobicContact CD2-CG 4.18Å; Y36-F452 HydrophobicContact CE2-CD2 4.2Å; Y36-F452 HydrophobicContact CG-CB 3.72Å; Y36-F452 HydrophobicContact CG-CG 4.41Å; K212-F452 HydrophobicContact CB-CZ 4.33Å; L216-F452 HydrophobicContact CB-CE1 4.45Å; L216-F452 HydrophobicContact CD2-CD1 4.18Å; L216-F452 HydrophobicContact CD2-CE1 4.19Å; L229-F452 VanDerWaalsContact CD1-O 3.3Å; L229-F452 WeakPolarHBondContact CD1-O 3.37Å; Y448-F452 HydrophobicContact CD1-CD2 4.11Å; Y448-F452 HydrophobicContact CD1-CE1 4.18Å; Y448-F452 AromaticContact CD1-CE2 3.34Å; Y448-F452 HydrophobicContact CD1-CE2 3.34Å; Y448-F452 AromaticContact CD1-CZ 3.36Å; Y448-F452 HydrophobicContact CD1-CZ 3.36Å; Y448-F452 HydrophobicContact CE1-CE2 4.3Å; Y448-F452 AromaticContact CE1-CZ 3.92Å; Y448-F452 HydrophobicContact CE1-CZ 3.92Å; Y448-F452 HydrophobicContact CG-CD2 4.4Å; Y448-F452 AromaticContact CG-CE2 3.72Å; Y448-F452 HydrophobicContact CG-CE2 3.72Å; Y448-F452 HydrophobicContact CG-CZ 4.19Å; Y448-F452 WeakPolarHBondContact O-CB 3.37Å; Y448-F452 WeakPolarHBondContact O-CD2 3.34Å; Y448-F452 WeakPolarHBondContact O-CG 3.12Å; Y448-F452 PolarHBondContact O-N 2.94Å |
| 453 | N | 97.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 12.1 Ų | 12.1 | 11% | 0.112 | 7% | 0.065 | C | C | . | . | trans | -114 | 112.7 | -177.6 | -62 | -83.9 | 0 | 0 | 0 | 111.2 | Y36 R233 T449 F455 L456 | Y36-N453 VanDerWaalsContact CD1-OD1 3.27Å; Y36-N453 WeakPolarHBondContact CD1-OD1 3.41Å; Y36-N453 VanDerWaalsContact CE1-ND2 3.28Å; Y36-N453 WeakPolarHBondContact CE1-ND2 3.36Å; Y36-N453 WeakPolarHBondContact CE1-OD1 3.07Å; R233-N453 WeakPolarHBondContact CD-O 3.17Å; T449-N453 WeakPolarHBondContact O-CB 3.2Å; T449-N453 PolarHBondContact O-N 3.45Å; T449-N453 VanDerWaalsContact O-N 3.14Å; T449-N453 PolarHBondContact O-ND2 3.14Å; N453-F455 PolarHBondContact O-N 3Å; N453-L456 HydrophobicContact CB-CD2 3.72Å; N453-L456 WeakPolarHBondContact O-CG 3.45Å | ||
| 454 | P | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -61.8 | -25.9 | 172.4 | -25.1 | 36.1 | 0 | 0 | 0 | 114.4 | L229 P230 R233 Y234 | L229-P454 HydrophobicContact CB-CG 4.49Å; L229-P454 HydrophobicContact CD2-CG 3.85Å; P230-P454 HydrophobicContact CG-CB 4.03Å; P230-P454 HydrophobicContact CG-CG 4.13Å; R233-P454 CarbonylContact C-O 3.27Å; R233-P454 WeakPolarHBondContact CA-O 3.19Å; Y234-P454 PolarHBondContact N-O 3.3Å |
| 455 | F | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 11 Ų | 11 | 4% | 0.035 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.4 | -177.5 | -57.2 | -89.4 | 0 | 0 | 0 | 109.5 | Y234 N453 I457 L498 Q501 Y502 H505 Y506 | Y234-F455 AromaticContact CD2-CD1 3.8Å; Y234-F455 HydrophobicContact CD2-CD1 3.8Å; Y234-F455 AromaticContact CD2-CE1 3.59Å; Y234-F455 HydrophobicContact CD2-CE1 3.59Å; Y234-F455 HydrophobicContact CD2-CZ 4.33Å; Y234-F455 AromaticContact CE2-CE1 3.98Å; Y234-F455 HydrophobicContact CE2-CE1 3.98Å; Y234-F455 HydrophobicContact CE2-CZ 4.43Å; N453-F455 PolarHBondContact O-N 3Å; F455-I457 HydrophobicContact CB-CD1 4.13Å; F455-L498 HydrophobicContact CD1-CD1 3.78Å; F455-L498 HydrophobicContact CE1-CD1 4.44Å; F455-Q501 HydrophobicContact CE1-CB 3.76Å; F455-Q501 HydrophobicContact CZ-CB 4.28Å; F455-Q501 WeakPolarHBondContact CZ-O 3.47Å; F455-Y502 HydrophobicContact CB-CD2 3.81Å; F455-Y502 HydrophobicContact CB-CE2 4.27Å; F455-Y502 HydrophobicContact CD1-CD2 4.05Å; F455-Y502 AromaticContact CD2-CD2 3.6Å; F455-Y502 HydrophobicContact CD2-CD2 3.6Å; F455-Y502 HydrophobicContact CD2-CE2 4.1Å; F455-Y502 HydrophobicContact CE2-CD2 4.17Å; F455-Y502 AromaticContact CG-CD2 3.55Å; F455-Y502 HydrophobicContact CG-CD2 3.55Å; F455-Y502 HydrophobicContact CG-CE2 4.28Å; F455-Y502 HydrophobicContact CG-CG 4.47Å; F455-Y502 VanDerWaalsContact CZ-CA 3.48Å; F455-H505 HydrophobicContact CE2-CB 3.86Å; F455-H505 AromaticContact CE2-CD2 3.9Å; F455-H505 AromaticContact CE2-CG 3.98Å; F455-H505 HydrophobicContact CZ-CB 3.84Å; F455-Y506 HydrophobicContact CD2-CD2 4.43Å; F455-Y506 AromaticContact CD2-CE2 3.75Å; F455-Y506 HydrophobicContact CD2-CE2 3.75Å; F455-Y506 HydrophobicContact CE2-CD2 4.23Å; F455-Y506 AromaticContact CE2-CE2 3.76Å; F455-Y506 HydrophobicContact CE2-CE2 3.76Å |
| 456 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 87.3 | -170.9 | -61.1 | 165.6 | 0 | 0 | 0 | 109.7 | R233 Y234 L235 Q236 T449 F450 N453 F458 | R233-L456 HydrophobicContact CB-CD1 3.91Å; Y234-L456 WeakPolarHBondContact O-CA 3.28Å; Y234-L456 WeakPolarHBondContact O-CB 3.45Å; Y234-L456 PolarHBondContact O-N 2.06Å; L235-L456 HydrophobicContact CD1-CB 3.9Å; L235-L456 HydrophobicContact CD1-CD1 4.45Å; Q236-L456 PolarHBondContact N-O 2.81Å; Q236-L456 VanDerWaalsContact O-O 3.06Å; T449-L456 HydrophobicContact CG2-CD2 4.12Å; T449-L456 WeakPolarHBondContact O-CD2 3.46Å; F450-L456 HydrophobicContact CB-CD1 4.32Å; F450-L456 HydrophobicContact CD1-CD1 3.31Å; F450-L456 HydrophobicContact CE1-CD1 3.67Å; F450-L456 HydrophobicContact CG-CD1 3.8Å; F450-L456 HydrophobicContact CZ-CD1 4.4Å; N453-L456 HydrophobicContact CB-CD2 3.72Å; N453-L456 WeakPolarHBondContact O-CG 3.45Å; L456-F458 HydrophobicContact CB-CD2 4.15Å; L456-F458 HydrophobicContact CB-CE2 3.86Å; L456-F458 HydrophobicContact CD2-CE2 3.98Å; L456-F458 HydrophobicContact CD2-CZ 4.34Å; L456-F458 HydrophobicContact CG-CE2 4.39Å |
| 457 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 94.8 | 174.8 | -54.5 | 85.2 | 0 | 0 | 0 | 107.7 | L413 R415 Q416 F455 L498 | L413-I457 HydrophobicContact CB-CD1 4.07Å; L413-I457 HydrophobicContact CB-CG1 4.35Å; L413-I457 HydrophobicContact CD1-CD1 4.24Å; L413-I457 HydrophobicContact CD1-CG1 4.23Å; R415-I457 CarbonylContact C-O 3.59Å; R415-I457 WeakPolarHBondContact CA-O 3.48Å; R415-I457 HydrophobicContact CG-CG2 4.31Å; R415-I457 WeakPolarHBondContact CG-O 3.29Å; Q416-I457 PolarHBondContact N-O 2.97Å; F455-I457 HydrophobicContact CB-CD1 4.13Å; I457-L498 HydrophobicContact CD1-CD2 4.15Å; I457-L498 HydrophobicContact CG1-CD2 3.76Å |
| 458 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.1 | -176.9 | -80.5 | -81 | 0 | 0 | 0 | 112.7 | L235 Q236 D238 Q416 C418 L446 T449 F450 L456 F475 | L235-F458 HydrophobicContact CD1-CD2 3.74Å; L235-F458 HydrophobicContact CD1-CE2 4.08Å; Q236-F458 PolarHBondContact O-N 3.02Å; D238-F458 PolarHBondContact N-O 3.03Å; Q416-F458 HydrophobicContact CB-CD1 3.73Å; Q416-F458 HydrophobicContact CB-CE1 3.71Å; Q416-F458 HydrophobicContact CB-CG 4.22Å; Q416-F458 HydrophobicContact CB-CZ 4.18Å; Q416-F458 WeakPolarHBondContact O-CA 3.25Å; C418-F458 HydrophobicContact CB-CD1 3.92Å; C418-F458 HydrophobicContact CB-CE1 4.05Å; L446-F458 HydrophobicContact CD1-CE1 3.61Å; L446-F458 HydrophobicContact CD1-CZ 3.64Å; T449-F458 HydrophobicContact CG2-CE1 4.09Å; T449-F458 HydrophobicContact CG2-CZ 3.66Å; F450-F458 HydrophobicContact CD2-CE2 4.17Å; F450-F458 HydrophobicContact CD2-CZ 4.12Å; F450-F458 AromaticContact CE2-CE2 3.53Å; F450-F458 HydrophobicContact CE2-CE2 3.53Å; F450-F458 AromaticContact CE2-CZ 3.71Å; F450-F458 HydrophobicContact CE2-CZ 3.71Å; F450-F458 AromaticContact CZ-CE2 3.82Å; F450-F458 HydrophobicContact CZ-CE2 3.82Å; F450-F458 HydrophobicContact CZ-CZ 4.45Å; L456-F458 HydrophobicContact CB-CD2 4.15Å; L456-F458 HydrophobicContact CB-CE2 3.86Å; L456-F458 HydrophobicContact CD2-CE2 3.98Å; L456-F458 HydrophobicContact CD2-CZ 4.34Å; L456-F458 HydrophobicContact CG-CE2 4.39Å; F458-F475 HydrophobicContact CB-CE1 4.21Å; F458-F475 HydrophobicContact CB-CZ 3.77Å; F458-F475 HydrophobicContact CD1-CE1 4.35Å; F458-F475 HydrophobicContact CD1-CZ 4.19Å; F458-F475 AromaticContact CD2-CE1 3.8Å; F458-F475 HydrophobicContact CD2-CE1 3.8Å; F458-F475 HydrophobicContact CD2-CZ 4.21Å; F458-F475 HydrophobicContact CE2-CE1 4.19Å; F458-F475 AromaticContact CG-CE1 3.86Å; F458-F475 HydrophobicContact CG-CE1 3.86Å; F458-F475 AromaticContact CG-CZ 3.81Å; F458-F475 HydrophobicContact CG-CZ 3.81Å |
| 459 | M | 95.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 14.6 Ų | 14.6 | 10% | 0.099 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.2 | 163.4 | -170.1 | -156.7 | -95.2 | 0 | 0 | 110.8 | H365 E391 R415 Q416 H461 | H365-M459 WeakPolarHBondContact CD2-CE 2.91Å; H365-M459 WeakPolarHBondContact NE2-CE 3.42Å; E391-M459 WeakPolarHBondContact OE1-CE 3.14Å; E391-M459 WeakPolarHBondContact OE2-CE 3.38Å; R415-M459 HydrophobicContact CG-CB 4.27Å; Q416-M459 PolarHBondContact O-N 3.39Å; M459-H461 PolarHBondContact SD-CE1 3.49Å |
| 460 | T | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 175.6 | 156.8 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | D238 D240 Y465 A471 F475 | D238-T460 PolarHBondContact O-N 2.96Å; D238-T460 PolarHBondContact O-OG1 3Å; D240-T460 WeakPolarHBondContact CB-O 3.32Å; D240-T460 PolarHBondContact N-O 3.11Å; T460-Y465 HydrophobicContact CG2-CE2 4.37Å; T460-Y465 VanDerWaalsContact OG1-CE2 3.23Å; T460-Y465 WeakPolarHBondContact OG1-CE2 3.24Å; T460-Y465 PolarHBondContact OG1-OH 3.38Å; T460-A471 HydrophobicContact CG2-CB 4.21Å; T460-F475 HydrophobicContact CG2-CE2 3.68Å; T460-F475 HydrophobicContact CG2-CZ 4.29Å |
| 461 | H | 96.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 7% | 0.069 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.9 | 176.7 | -55.1 | 79 | 0 | 0 | 0 | 109.9 | D240 D241 T422 M459 A463 N464 Y465 | D240-H461 CarbonylContact O-C 3.59Å; D240-H461 WeakPolarHBondContact O-CA 3.5Å; D241-H461 IonicContact OD2-CD2 2.96Å; D241-H461 PolarHBondContact OD2-CD2 2.93Å; T422-H461 HydrophobicContact CG2-CB 4.37Å; T422-H461 PolarHBondContact OG1-CD2 2.74Å; T422-H461 PolarHBondContact OG1-CE1 3.03Å; T422-H461 PolarHBondContact OG1-NE2 3.19Å; T422-H461 VanDerWaalsContact OG1-NE2 3.08Å; M459-H461 PolarHBondContact SD-CE1 3.49Å; H461-A463 PolarHBondContact O-N 3.19Å; H461-N464 PolarHBondContact N-OD1 2.97Å; H461-N464 WeakPolarHBondContact O-CB 3.31Å; H461-N464 PolarHBondContact O-N 2.76Å; H461-N464 PolarHBondContact O-OD1 3.04Å; H461-Y465 WeakPolarHBondContact O-CD2 3.4Å |
| 462 | Q | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -43.8 | -43.7 | 174.8 | -171.9 | -174.5 | -95.3 | 0 | 0 | 113.2 | D240 I242 K250 M251 N464 Y465 A466 | D240-Q462 PolarHBondContact O-N 3.09Å; I242-Q462 HydrophobicContact CD1-CB 4.05Å; I242-Q462 HydrophobicContact CD1-CG 4.02Å; K250-Q462 VanDerWaalsContact CA-NE2 3.29Å; M251-Q462 HydrophobicContact CE-CG 3.92Å; M251-Q462 HydrophobicContact CG-CG 3.86Å; M251-Q462 HydrophobicContact SD-CG 4.25Å; Q462-N464 PolarHBondContact O-N 3.27Å; Q462-Y465 PolarHBondContact O-N 3.13Å; Q462-A466 PolarHBondContact O-N 3.13Å |
| 463 | A | 95.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 5% | 0.05 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -62.1 | -24.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S249 I425 H461 Y465 A466 | S249-A463 WeakPolarHBondContact O-CA 3.16Å; I425-A463 HydrophobicContact CD1-CB 4.47Å; I425-A463 HydrophobicContact CG1-CB 4.08Å; H461-A463 PolarHBondContact O-N 3.19Å; A463-Y465 PolarHBondContact O-N 3.08Å; A463-A466 PolarHBondContact O-N 2.73Å |
| 464 | N | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -76.8 | -11.3 | 178 | -50.8 | 133.4 | 0 | 0 | 0 | 113.2 | L420 Y421 T424 H461 Q462 R469 L470 A471 | L420-N464 HydrophobicContact CD1-CB 4.43Å; Y421-N464 PolarHBondContact O-ND2 3.2Å; T424-N464 PolarHBondContact O-ND2 3.17Å; H461-N464 PolarHBondContact N-OD1 2.97Å; H461-N464 WeakPolarHBondContact O-CB 3.31Å; H461-N464 PolarHBondContact O-N 2.76Å; H461-N464 PolarHBondContact O-OD1 3.04Å; Q462-N464 PolarHBondContact O-N 3.27Å; N464-R469 CarbonylContact O-C 3.58Å; N464-L470 PolarHBondContact O-N 3.34Å; N464-L470 VanDerWaalsContact O-N 3.11Å; N464-A471 HydrophobicContact CB-CB 3.71Å; N464-A471 WeakPolarHBondContact O-CB 3.32Å; N464-A471 PolarHBondContact O-N 3.47Å |
| 465 | Y | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -5.2 | 176.6 | -60.3 | -91.3 | 0 | 0 | 0 | 112.6 | V237 I239 L259 Y275 T460 H461 Q462 A463 R469 A471 | V237-Y465 VanDerWaalsContact CG1-OH 3.28Å; V237-Y465 WeakPolarHBondContact CG1-OH 3.45Å; I239-Y465 HydrophobicContact CB-CE2 4.17Å; I239-Y465 HydrophobicContact CD1-CD1 4.34Å; I239-Y465 HydrophobicContact CD1-CD2 3.9Å; I239-Y465 HydrophobicContact CD1-CE1 4.01Å; I239-Y465 HydrophobicContact CD1-CE2 3.55Å; I239-Y465 HydrophobicContact CD1-CG 4.27Å; I239-Y465 HydrophobicContact CG1-CD2 4.21Å; I239-Y465 HydrophobicContact CG1-CE2 3.51Å; I239-Y465 HydrophobicContact CG2-CD2 3.79Å; I239-Y465 HydrophobicContact CG2-CE2 3.74Å; L259-Y465 HydrophobicContact CD1-CD1 3.45Å; L259-Y465 VanDerWaalsContact CD1-CD1 3.45Å; L259-Y465 HydrophobicContact CD1-CE1 3.82Å; L259-Y465 HydrophobicContact CD1-CG 4.09Å; Y275-Y465 AromaticContact CE1-CE1 3.89Å; Y275-Y465 HydrophobicContact CE1-CE1 3.89Å; T460-Y465 HydrophobicContact CG2-CE2 4.37Å; T460-Y465 VanDerWaalsContact OG1-CE2 3.23Å; T460-Y465 WeakPolarHBondContact OG1-CE2 3.24Å; T460-Y465 PolarHBondContact OG1-OH 3.38Å; H461-Y465 WeakPolarHBondContact O-CD2 3.4Å; Q462-Y465 PolarHBondContact O-N 3.13Å; A463-Y465 PolarHBondContact O-N 3.08Å; Y465-R469 VanDerWaalsContact O-CG 3.29Å; Y465-R469 WeakPolarHBondContact O-CG 3.37Å; Y465-A471 HydrophobicContact CD1-CB 3.85Å; Y465-A471 HydrophobicContact CD2-CB 4.03Å; Y465-A471 HydrophobicContact CE1-CB 3.47Å; Y465-A471 VanDerWaalsContact CE1-CB 3.47Å; Y465-A471 HydrophobicContact CE2-CB 3.63Å; Y465-A471 HydrophobicContact CG-CB 4.14Å |
| 466 | A | 94.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -85.8 | 161.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M251 Q462 A463 D468 R469 | M251-A466 HydrophobicContact CG-CB 4.2Å; Q462-A466 PolarHBondContact O-N 3.13Å; A463-A466 PolarHBondContact O-N 2.73Å; A466-D468 PolarHBondContact O-N 3.15Å; A466-D468 VanDerWaalsContact O-N 3.1Å; A466-R469 PolarHBondContact O-N 3.36Å; A466-R469 VanDerWaalsContact O-N 3.07Å |
| 467 | R | 93 | Very high | 96.6 | Very high | 98 Ų | 98 | 17.4 Ų | 17.4 | 37% | 0.37 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -110.7 | 171.5 | -52.8 | -59.3 | -173.1 | 173.6 | -0.2 | 112.7 | G248 D255 I425 Y426 R469 | G248-R467 PolarHBondContact O-NE 2.89Å; G248-R467 VanDerWaalsContact O-NE 3.11Å; G248-R467 PolarHBondContact O-NH2 3.33Å; D255-R467 PolarHBondContact OD1-N 2.88Å; I425-R467 HydrophobicContact CG2-CB 3.94Å; I425-R467 HydrophobicContact CG2-CG 3.78Å; Y426-R467 HydrophobicContact CD1-CB 4.46Å; Y426-R467 HydrophobicContact CE1-CB 4Å; Y426-R467 HydrophobicContact CE1-CG 4.18Å; R467-R469 WeakPolarHBondContact O-CG 3.24Å; R467-R469 PolarHBondContact O-N 3.39Å |
| 468 | D | 94.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 17.4 Ų | 17.4 | 42% | 0.422 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6.8 | -177.4 | -71.6 | 4.4 | 0 | 0 | 0 | 112.8 | Y426 M427 A466 L470 | Y426-D468 VanDerWaalsContact CA-OD2 3.3Å; Y426-D468 WeakPolarHBondContact CA-OD2 3.39Å; M427-D468 PolarHBondContact N-OD2 3.33Å; A466-D468 PolarHBondContact O-N 3.15Å; A466-D468 VanDerWaalsContact O-N 3.1Å; D468-L470 VanDerWaalsContact C-N 3.27Å; D468-L470 HydrophobicContact CB-CD1 3.27Å; D468-L470 PolarHBondContact O-N 3.49Å |
| 469 | R | 95.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 17.4 Ų | 17.4 | 17% | 0.174 | 8% | 0.078 | C | C | . | . | trans | 54.1 | 41 | 171.6 | -63.5 | 149.7 | -177.9 | -177.3 | 8.7 | 113.1 | D254 D255 H258 N464 Y465 A466 R467 A471 S472 Y473 | D254-R469 IonicContact OD2-CZ 3.99Å; D254-R469 IonicContact OD2-NH1 3.82Å; D254-R469 IonicContact OD2-NH2 3.93Å; D254-R469 PolarHBondContact OD2-NH2 3.33Å; D255-R469 IonicContact OD1-CZ 3.07Å; D255-R469 IonicContact OD1-NE 2.65Å; D255-R469 PolarHBondContact OD1-NE 2.98Å; D255-R469 IonicContact OD1-NH2 3.66Å; D255-R469 PolarHBondContact OD1-NH2 3.01Å; H258-R469 PolarHBondContact CD2-NH1 3.15Å; N464-R469 CarbonylContact O-C 3.58Å; Y465-R469 VanDerWaalsContact O-CG 3.29Å; Y465-R469 WeakPolarHBondContact O-CG 3.37Å; A466-R469 PolarHBondContact O-N 3.36Å; A466-R469 VanDerWaalsContact O-N 3.07Å; R467-R469 WeakPolarHBondContact O-CG 3.24Å; R467-R469 PolarHBondContact O-N 3.39Å; R469-A471 PolarHBondContact O-N 2.66Å; R469-A471 VanDerWaalsContact O-N 3.15Å; R469-S472 PolarHBondContact O-N 3.29Å; R469-S472 VanDerWaalsContact O-N 3.11Å; R469-Y473 PolarHBondContact O-N 3.07Å; R469-Y473 VanDerWaalsContact O-N 3.11Å | ||
| 470 | L | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -53.3 | -39.5 | -175.3 | -86.7 | 64.3 | 0 | 0 | 0 | 112.2 | L420 T424 I425 M427 F430 N464 D468 Y473 T474 | L420-L470 HydrophobicContact CD1-CB 4.3Å; L420-L470 HydrophobicContact CD2-CB 3.99Å; L420-L470 HydrophobicContact CD2-CD2 4.01Å; T424-L470 HydrophobicContact CG2-CD2 3.75Å; I425-L470 WeakPolarHBondContact O-CD1 3.38Å; M427-L470 HydrophobicContact CE-CD1 4.41Å; M427-L470 HydrophobicContact CE-CG 4.22Å; F430-L470 HydrophobicContact CB-CD2 4.48Å; N464-L470 PolarHBondContact O-N 3.34Å; N464-L470 VanDerWaalsContact O-N 3.11Å; D468-L470 VanDerWaalsContact C-N 3.27Å; D468-L470 HydrophobicContact CB-CD1 3.27Å; D468-L470 PolarHBondContact O-N 3.49Å; L470-Y473 PolarHBondContact O-N 2.95Å; L470-T474 VanDerWaalsContact O-CB 3.22Å; L470-T474 WeakPolarHBondContact O-CB 3.49Å; L470-T474 PolarHBondContact O-N 3.34Å; L470-T474 PolarHBondContact O-OG1 3.37Å |
| 471 | A | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.7 | -43.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L420 T460 N464 Y465 R469 Y473 T474 F475 | L420-A471 VanDerWaalsContact CD1-CA 3.49Å; L420-A471 HydrophobicContact CD1-CB 3.78Å; T460-A471 HydrophobicContact CG2-CB 4.21Å; N464-A471 HydrophobicContact CB-CB 3.71Å; N464-A471 WeakPolarHBondContact O-CB 3.32Å; N464-A471 PolarHBondContact O-N 3.47Å; Y465-A471 HydrophobicContact CD1-CB 3.85Å; Y465-A471 HydrophobicContact CD2-CB 4.03Å; Y465-A471 HydrophobicContact CE1-CB 3.47Å; Y465-A471 VanDerWaalsContact CE1-CB 3.47Å; Y465-A471 HydrophobicContact CE2-CB 3.63Å; Y465-A471 HydrophobicContact CG-CB 4.14Å; R469-A471 PolarHBondContact O-N 2.66Å; R469-A471 VanDerWaalsContact O-N 3.15Å; A471-Y473 PolarHBondContact O-N 3.05Å; A471-T474 PolarHBondContact O-N 2.88Å; A471-F475 VanDerWaalsContact O-CD2 3.3Å; A471-F475 WeakPolarHBondContact O-CD2 3.26Å; A471-F475 PolarHBondContact O-N 3.36Å |
| 472 | S | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 174.1 | -65 | 0 | 0 | 0 | 0 | 111.2 | R469 T474 E476 | R469-S472 PolarHBondContact O-N 3.29Å; R469-S472 VanDerWaalsContact O-N 3.11Å; S472-T474 VanDerWaalsContact C-N 3.34Å; S472-T474 PolarHBondContact O-N 3.48Å; S472-E476 VanDerWaalsContact O-CB 3.25Å; S472-E476 WeakPolarHBondContact O-CB 3.35Å; S472-E476 VanDerWaalsContact O-CG 3.25Å; S472-E476 WeakPolarHBondContact O-CG 3.42Å; S472-E476 PolarHBondContact O-N 3.41Å |
| 473 | Y | 97.3 | Very high | 97 | Very high | 72 Ų | 72 | 28.5 Ų | 28.5 | 28% | 0.282 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.7 | 173.4 | -107.6 | 0 | 0 | 0 | 111.8 | M427 K434 L437 D438 I441 R469 L470 A471 S477 | M427-Y473 HydrophobicContact CE-CD1 4.33Å; K434-Y473 PolarHBondContact NZ-OH 3.17Å; L437-Y473 HydrophobicContact CD2-CD1 4.08Å; L437-Y473 HydrophobicContact CD2-CE1 4.28Å; D438-Y473 PolarHBondContact OD1-OH 3.3Å; I441-Y473 HydrophobicContact CD1-CD1 4.4Å; I441-Y473 HydrophobicContact CD1-CE1 4.07Å; R469-Y473 PolarHBondContact O-N 3.07Å; R469-Y473 VanDerWaalsContact O-N 3.11Å; L470-Y473 PolarHBondContact O-N 2.95Å; A471-Y473 PolarHBondContact O-N 3.05Å; Y473-S477 WeakPolarHBondContact CE2-OG 3.26Å; Y473-S477 WeakPolarHBondContact O-CB 3.33Å; Y473-S477 PolarHBondContact O-N 3.47Å; Y473-S477 PolarHBondContact O-OG 3.23Å |
| 474 | T | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -53 | -176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | L437 I441 L446 L470 A471 S472 S477 V478 | L437-T474 HydrophobicContact CD1-CG2 4.31Å; I441-T474 HydrophobicContact CD1-CG2 4.15Å; I441-T474 HydrophobicContact CG1-CG2 4.14Å; L446-T474 HydrophobicContact CD2-CG2 3.34Å; L470-T474 VanDerWaalsContact O-CB 3.22Å; L470-T474 WeakPolarHBondContact O-CB 3.49Å; L470-T474 PolarHBondContact O-N 3.34Å; L470-T474 PolarHBondContact O-OG1 3.37Å; A471-T474 PolarHBondContact O-N 2.88Å; S472-T474 VanDerWaalsContact C-N 3.34Å; S472-T474 PolarHBondContact O-N 3.48Å; T474-S477 PolarHBondContact O-N 3.39Å; T474-V478 PolarHBondContact O-N 2.95Å |
| 475 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -41.9 | -177.7 | -76.5 | -69.7 | 0 | 0 | 0 | 112.5 | V237 M266 C418 F450 F458 T460 A471 S477 V478 V479 | V237-F475 HydrophobicContact CG1-CD2 4.33Å; V237-F475 HydrophobicContact CG1-CE2 3.86Å; V237-F475 HydrophobicContact CG1-CZ 4.12Å; V237-F475 HydrophobicContact CG2-CD1 4.28Å; V237-F475 HydrophobicContact CG2-CE1 4.04Å; V237-F475 HydrophobicContact CG2-CE2 4.44Å; V237-F475 HydrophobicContact CG2-CZ 4.13Å; M266-F475 HydrophobicContact CE-CB 4.04Å; M266-F475 HydrophobicContact SD-CB 4.24Å; C418-F475 HydrophobicContact CB-CZ 4.21Å; F450-F475 HydrophobicContact CZ-CD1 4.25Å; F450-F475 HydrophobicContact CZ-CE1 4.35Å; F458-F475 HydrophobicContact CB-CE1 4.21Å; F458-F475 HydrophobicContact CB-CZ 3.77Å; F458-F475 HydrophobicContact CD1-CE1 4.35Å; F458-F475 HydrophobicContact CD1-CZ 4.19Å; F458-F475 AromaticContact CD2-CE1 3.8Å; F458-F475 HydrophobicContact CD2-CE1 3.8Å; F458-F475 HydrophobicContact CD2-CZ 4.21Å; F458-F475 HydrophobicContact CE2-CE1 4.19Å; F458-F475 AromaticContact CG-CE1 3.86Å; F458-F475 HydrophobicContact CG-CE1 3.86Å; F458-F475 AromaticContact CG-CZ 3.81Å; F458-F475 HydrophobicContact CG-CZ 3.81Å; T460-F475 HydrophobicContact CG2-CE2 3.68Å; T460-F475 HydrophobicContact CG2-CZ 4.29Å; A471-F475 VanDerWaalsContact O-CD2 3.3Å; A471-F475 WeakPolarHBondContact O-CD2 3.26Å; A471-F475 PolarHBondContact O-N 3.36Å; F475-S477 VanDerWaalsContact C-N 3.27Å; F475-S477 PolarHBondContact O-N 3.45Å; F475-V478 WeakPolarHBondContact O-CG1 3.36Å; F475-V478 PolarHBondContact O-N 3.24Å; F475-V479 WeakPolarHBondContact O-CG1 3.27Å; F475-V479 WeakPolarHBondContact O-CG2 3.44Å; F475-V479 PolarHBondContact O-N 3.47Å; F475-V479 VanDerWaalsContact O-N 3.08Å |
| 476 | E | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | 177.1 | -72.7 | -175.3 | -143.2 | 0 | 0 | 112.2 | S262 R265 M266 S472 R480 | S262-E476 WeakPolarHBondContact CA-OE1 3.38Å; S262-E476 VanDerWaalsContact CB-OE1 3.28Å; S262-E476 WeakPolarHBondContact CB-OE1 3.39Å; S262-E476 PolarHBondContact OG-OE1 2.88Å; R265-E476 IonicContact CZ-OE1 3.87Å; R265-E476 VanDerWaalsContact CZ-OE1 3.32Å; R265-E476 IonicContact CZ-OE2 2.81Å; R265-E476 VanDerWaalsContact NE-CD 3.28Å; R265-E476 IonicContact NE-OE1 3.71Å; R265-E476 PolarHBondContact NE-OE1 3.44Å; R265-E476 VanDerWaalsContact NE-OE1 3.07Å; R265-E476 IonicContact NE-OE2 2.86Å; R265-E476 PolarHBondContact NE-OE2 3.15Å; R265-E476 IonicContact NH2-OE1 3.7Å; R265-E476 PolarHBondContact NH2-OE1 2.88Å; R265-E476 IonicContact NH2-OE2 3.73Å; M266-E476 HydrophobicContact CG-CG 4.17Å; M266-E476 HydrophobicContact SD-CB 4.43Å; M266-E476 HydrophobicContact SD-CG 3.84Å; S472-E476 VanDerWaalsContact O-CB 3.25Å; S472-E476 WeakPolarHBondContact O-CB 3.35Å; S472-E476 VanDerWaalsContact O-CG 3.25Å; S472-E476 WeakPolarHBondContact O-CG 3.42Å; S472-E476 PolarHBondContact O-N 3.41Å; E476-R480 WeakPolarHBondContact O-CB 3.25Å; E476-R480 WeakPolarHBondContact O-CD 3.37Å; E476-R480 WeakPolarHBondContact O-CG 3.47Å; E476-R480 PolarHBondContact O-N 2.69Å; E476-R480 IonicContact OE2-CZ 2.71Å; E476-R480 IonicContact OE2-NH1 3.89Å; E476-R480 IonicContact OE2-NH2 3.07Å; E476-R480 PolarHBondContact OE2-NH2 2.94Å |
| 477 | S | 98.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -45 | 179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | Y473 T474 F475 R480 F481 | Y473-S477 WeakPolarHBondContact CE2-OG 3.26Å; Y473-S477 WeakPolarHBondContact O-CB 3.33Å; Y473-S477 PolarHBondContact O-N 3.47Å; Y473-S477 PolarHBondContact O-OG 3.23Å; T474-S477 PolarHBondContact O-N 3.39Å; F475-S477 VanDerWaalsContact C-N 3.27Å; F475-S477 PolarHBondContact O-N 3.45Å; S477-R480 PolarHBondContact O-N 3.19Å; S477-F481 WeakPolarHBondContact O-CB 3.24Å; S477-F481 PolarHBondContact O-N 2.89Å |
| 478 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | -178.4 | 78.1 | 0 | 0 | 0 | 0 | 112 | I441 L446 F450 T474 F475 R480 F481 I482 | I441-V478 HydrophobicContact CG2-CB 4.01Å; I441-V478 HydrophobicContact CG2-CG2 4.5Å; L446-V478 HydrophobicContact CD2-CB 4.17Å; L446-V478 HydrophobicContact CD2-CG1 4.2Å; L446-V478 HydrophobicContact CD2-CG2 4.34Å; L446-V478 HydrophobicContact CG-CB 4.49Å; L446-V478 HydrophobicContact CG-CG2 4.15Å; F450-V478 HydrophobicContact CD2-CG1 4.28Å; F450-V478 HydrophobicContact CD2-CG2 4.21Å; F450-V478 HydrophobicContact CE2-CG1 3.64Å; F450-V478 HydrophobicContact CE2-CG2 4.37Å; F450-V478 HydrophobicContact CZ-CG1 3.85Å; T474-V478 PolarHBondContact O-N 2.95Å; F475-V478 WeakPolarHBondContact O-CG1 3.36Å; F475-V478 PolarHBondContact O-N 3.24Å; V478-R480 VanDerWaalsContact C-N 3.35Å; V478-R480 PolarHBondContact O-N 3.5Å; V478-F481 PolarHBondContact O-N 2.88Å; V478-I482 HydrophobicContact CG2-CD1 4.04Å; V478-I482 HydrophobicContact CG2-CG1 4.41Å; V478-I482 WeakPolarHBondContact O-CB 3.48Å; V478-I482 WeakPolarHBondContact O-CD1 3.2Å; V478-I482 VanDerWaalsContact O-CG1 3.23Å; V478-I482 WeakPolarHBondContact O-CG1 3.35Å; V478-I482 PolarHBondContact O-N 3.13Å |
| 479 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | M266 Y269 V270 F450 F475 R483 L490 | M266-V479 HydrophobicContact CE-CG1 3.69Å; M266-V479 HydrophobicContact CE-CG2 4.15Å; M266-V479 HydrophobicContact SD-CG1 4.35Å; M266-V479 HydrophobicContact SD-CG2 3.71Å; Y269-V479 HydrophobicContact CD2-CG2 3.93Å; Y269-V479 HydrophobicContact CG-CG2 4.02Å; V270-V479 HydrophobicContact CG2-CB 4.44Å; V270-V479 HydrophobicContact CG2-CG1 3.95Å; F450-V479 HydrophobicContact CE1-CG1 4.35Å; F475-V479 WeakPolarHBondContact O-CG1 3.27Å; F475-V479 WeakPolarHBondContact O-CG2 3.44Å; F475-V479 PolarHBondContact O-N 3.47Å; F475-V479 VanDerWaalsContact O-N 3.08Å; V479-R483 WeakPolarHBondContact O-CB 3.18Å; V479-R483 PolarHBondContact O-N 3.47Å; V479-L490 HydrophobicContact CB-CD1 3.86Å; V479-L490 HydrophobicContact CG1-CD1 3.59Å |
| 480 | R | 98.1 | Very high | 97.8 | Very high | 90 Ų | 90 | 32.4 Ų | 32.4 | 34% | 0.34 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63 | -46.1 | 171.2 | -75.4 | 174.2 | -171.4 | 142.3 | 16.1 | 110.7 | Y269 E476 S477 V478 R483 C484 | Y269-R480 HydrophobicContact CD1-CG 4.49Å; Y269-R480 HydrophobicContact CD2-CG 4.34Å; Y269-R480 HydrophobicContact CE1-CG 3.91Å; Y269-R480 HydrophobicContact CE2-CG 3.74Å; Y269-R480 VanDerWaalsContact CZ-CG 3.5Å; Y269-R480 PolarHBondContact OH-NE 3.42Å; E476-R480 WeakPolarHBondContact O-CB 3.25Å; E476-R480 WeakPolarHBondContact O-CD 3.37Å; E476-R480 WeakPolarHBondContact O-CG 3.47Å; E476-R480 PolarHBondContact O-N 2.69Å; E476-R480 IonicContact OE2-CZ 2.71Å; E476-R480 IonicContact OE2-NH1 3.89Å; E476-R480 IonicContact OE2-NH2 3.07Å; E476-R480 PolarHBondContact OE2-NH2 2.94Å; S477-R480 PolarHBondContact O-N 3.19Å; V478-R480 VanDerWaalsContact C-N 3.35Å; V478-R480 PolarHBondContact O-N 3.5Å; R480-R483 WeakPolarHBondContact O-CB 3.19Å; R480-R483 PolarHBondContact O-N 3.48Å; R480-C484 PolarHBondContact O-N 3.24Å; R480-C484 PolarHBondContact O-SG 3.07Å |
| 481 | F | 97.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 179 | -168.4 | -98.8 | 0 | 0 | 0 | 111.9 | W209 F442 G443 F447 S477 V478 R483 C484 W485 | W209-F481 HydrophobicContact CH2-CE1 4.03Å; W209-F481 AromaticContact CH2-CZ 4Å; W209-F481 HydrophobicContact CH2-CZ 4Å; W209-F481 HydrophobicContact CZ2-CE1 4.13Å; W209-F481 AromaticContact CZ2-CZ 3.63Å; W209-F481 HydrophobicContact CZ2-CZ 3.63Å; W209-F481 HydrophobicContact CZ3-CE1 4.36Å; F442-F481 HydrophobicContact CB-CD2 4.34Å; F442-F481 HydrophobicContact CB-CE2 4.01Å; F442-F481 HydrophobicContact CB-CZ 4.29Å; F442-F481 HydrophobicContact CD1-CB 4.17Å; F442-F481 AromaticContact CD1-CD2 3.5Å; F442-F481 HydrophobicContact CD1-CD2 3.5Å; F442-F481 HydrophobicContact CD1-CE2 4.01Å; F442-F481 AromaticContact CD1-CG 3.93Å; F442-F481 HydrophobicContact CD1-CG 3.93Å; F442-F481 HydrophobicContact CE1-CD2 4.32Å; F442-F481 HydrophobicContact CG-CD2 4.37Å; F442-F481 HydrophobicContact CG-CE2 4.46Å; G443-F481 VanDerWaalsContact N-CE1 3.25Å; F447-F481 AromaticContact CD2-CD1 3.55Å; F447-F481 HydrophobicContact CD2-CD1 3.55Å; F447-F481 AromaticContact CD2-CE1 3.85Å; F447-F481 HydrophobicContact CD2-CE1 3.85Å; F447-F481 AromaticContact CE2-CD1 3.81Å; F447-F481 HydrophobicContact CE2-CD1 3.81Å; F447-F481 AromaticContact CE2-CE1 3.95Å; F447-F481 HydrophobicContact CE2-CE1 3.95Å; F447-F481 HydrophobicContact CG-CD1 4.19Å; F447-F481 HydrophobicContact CG-CE1 4.15Å; F447-F481 HydrophobicContact CZ-CE1 4.36Å; S477-F481 WeakPolarHBondContact O-CB 3.24Å; S477-F481 PolarHBondContact O-N 2.89Å; V478-F481 PolarHBondContact O-N 2.88Å; F481-R483 VanDerWaalsContact C-N 3.29Å; F481-R483 PolarHBondContact O-N 3.15Å; F481-C484 WeakPolarHBondContact O-CB 3.33Å; F481-C484 PolarHBondContact O-N 3.05Å; F481-W485 AromaticContact CD1-CD1 3.76Å; F481-W485 AromaticContact CD2-CD1 3.6Å; F481-W485 AromaticContact CD2-NE1 3.39Å; F481-W485 AromaticContact CE1-CD1 3.58Å; F481-W485 HydrophobicContact CE1-CG 4.42Å; F481-W485 AromaticContact CE2-CD1 3.46Å; F481-W485 VanDerWaalsContact CE2-CD1 3.46Å; F481-W485 AromaticContact CE2-NE1 3.04Å; F481-W485 AromaticContact CG-CD1 3.77Å; F481-W485 AromaticContact CZ-CD1 3.44Å; F481-W485 VanDerWaalsContact CZ-CD1 3.44Å; F481-W485 HydrophobicContact CZ-CG 4.35Å; F481-W485 AromaticContact CZ-NE1 3.4Å; F481-W485 PolarHBondContact O-N 2.74Å; F481-W485 VanDerWaalsContact O-N 3.14Å |
| 482 | I | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.4 | -46.1 | 173.5 | -69.8 | 162.4 | 0 | 0 | 0 | 110.7 | F447 F450 V478 C484 W485 T486 L488 L490 | F447-I482 HydrophobicContact CD2-CG1 3.9Å; F447-I482 HydrophobicContact CE2-CG1 4.03Å; F450-I482 HydrophobicContact CB-CD1 3.36Å; F450-I482 HydrophobicContact CB-CG1 4.28Å; F450-I482 HydrophobicContact CD1-CD1 3.23Å; F450-I482 HydrophobicContact CD2-CD1 4.03Å; F450-I482 HydrophobicContact CE1-CD1 3.96Å; F450-I482 HydrophobicContact CG-CD1 3.28Å; V478-I482 HydrophobicContact CG2-CD1 4.04Å; V478-I482 HydrophobicContact CG2-CG1 4.41Å; V478-I482 WeakPolarHBondContact O-CB 3.48Å; V478-I482 WeakPolarHBondContact O-CD1 3.2Å; V478-I482 VanDerWaalsContact O-CG1 3.23Å; V478-I482 WeakPolarHBondContact O-CG1 3.35Å; V478-I482 PolarHBondContact O-N 3.13Å; I482-C484 VanDerWaalsContact C-N 3.27Å; I482-C484 PolarHBondContact O-N 2.89Å; I482-W485 PolarHBondContact O-N 2.79Å; I482-T486 VanDerWaalsContact CG2-OG1 3.29Å; I482-T486 WeakPolarHBondContact CG2-OG1 3.48Å; I482-T486 WeakPolarHBondContact O-CB 3.19Å; I482-T486 PolarHBondContact O-N 3.04Å; I482-T486 PolarHBondContact O-OG1 2.88Å; I482-L488 HydrophobicContact CG2-CB 4.08Å; I482-L488 HydrophobicContact CG2-CD1 4.29Å; I482-L490 HydrophobicContact CD1-CD1 4.35Å; I482-L490 HydrophobicContact CG2-CD1 4.46Å; I482-L490 HydrophobicContact CG2-CD2 4.4Å |
| 483 | R | 97.1 | Very high | 98 | Very high | 162 Ų | 162 | 36.4 Ų | 36.4 | 61% | 0.611 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -62.9 | -31.7 | 177.3 | 178.1 | 59.8 | 178.2 | 175.9 | -1 | 112.4 | K140 Y269 V479 R480 F481 | K140-R483 WeakPolarHBondContact CE-O 3.25Å; K140-R483 PolarHBondContact NZ-O 3.42Å; Y269-R483 HydrophobicContact CD1-CB 4.19Å; Y269-R483 HydrophobicContact CD1-CG 4.19Å; V479-R483 WeakPolarHBondContact O-CB 3.18Å; V479-R483 PolarHBondContact O-N 3.47Å; R480-R483 WeakPolarHBondContact O-CB 3.19Å; R480-R483 PolarHBondContact O-N 3.48Å; F481-R483 VanDerWaalsContact C-N 3.29Å; F481-R483 PolarHBondContact O-N 3.15Å |
| 484 | C | 95.3 | Very high | 98 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.8 | -49.6 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | K140 R480 F481 I482 | K140-C484 WeakPolarHBondContact CD-O 3.11Å; K140-C484 WeakPolarHBondContact CE-O 3.28Å; K140-C484 PolarHBondContact NZ-O 3.22Å; R480-C484 PolarHBondContact O-N 3.24Å; R480-C484 PolarHBondContact O-SG 3.07Å; F481-C484 WeakPolarHBondContact O-CB 3.33Å; F481-C484 PolarHBondContact O-N 3.05Å; I482-C484 VanDerWaalsContact C-N 3.27Å; I482-C484 PolarHBondContact O-N 2.89Å |
| 485 | W | 96.3 | Very high | 98 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 11% | 0.114 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -102.1 | -19.7 | -164 | -59.3 | 103.2 | 0 | 0 | 0 | 115.4 | K140 I143 S144 F145 Q148 W209 F481 I482 | K140-W485 PolarHBondContact N-O 3.16Å; K140-W485 VanDerWaalsContact N-O 3.15Å; I143-W485 HydrophobicContact CB-CE3 4.44Å; I143-W485 HydrophobicContact CB-CZ3 4.36Å; I143-W485 HydrophobicContact CD1-CE3 4.06Å; I143-W485 HydrophobicContact CG2-CE3 3.56Å; I143-W485 HydrophobicContact CG2-CH2 4.09Å; I143-W485 HydrophobicContact CG2-CZ3 3.22Å; S144-W485 WeakPolarHBondContact O-CH2 3.39Å; F145-W485 HydrophobicContact CB-CZ3 4.45Å; F145-W485 AromaticContact CD1-CE3 3.56Å; F145-W485 HydrophobicContact CD1-CE3 3.56Å; F145-W485 AromaticContact CD1-CH2 3.92Å; F145-W485 HydrophobicContact CD1-CH2 3.92Å; F145-W485 AromaticContact CD1-CZ3 3.11Å; F145-W485 HydrophobicContact CD1-CZ3 3.11Å; F145-W485 HydrophobicContact CE1-CD2 4.28Å; F145-W485 AromaticContact CE1-CE3 3.22Å; F145-W485 HydrophobicContact CE1-CE3 3.22Å; F145-W485 HydrophobicContact CE1-CH2 4.45Å; F145-W485 AromaticContact CE1-CZ3 3.32Å; F145-W485 HydrophobicContact CE1-CZ3 3.32Å; F145-W485 AromaticContact CG-CZ3 3.82Å; F145-W485 HydrophobicContact CG-CZ3 3.82Å; F145-W485 HydrophobicContact CZ-CE3 4.02Å; F145-W485 HydrophobicContact CZ-CZ3 4.16Å; Q148-W485 HydrophobicContact CG-CH2 4.41Å; Q148-W485 HydrophobicContact CG-CZ2 4.46Å; W209-W485 HydrophobicContact CH2-CB 3.89Å; W209-W485 AromaticContact CH2-CD2 3.87Å; W209-W485 HydrophobicContact CH2-CD2 3.87Å; W209-W485 HydrophobicContact CH2-CE3 4.17Å; W209-W485 AromaticContact CH2-CG 3.71Å; W209-W485 HydrophobicContact CH2-CG 3.71Å; W209-W485 AromaticContact CZ2-CD2 3.93Å; W209-W485 HydrophobicContact CZ2-CD2 3.93Å; W209-W485 HydrophobicContact CZ2-CE3 4.18Å; W209-W485 HydrophobicContact CZ2-CG 4.15Å; F481-W485 AromaticContact CD1-CD1 3.76Å; F481-W485 AromaticContact CD2-CD1 3.6Å; F481-W485 AromaticContact CD2-NE1 3.39Å; F481-W485 AromaticContact CE1-CD1 3.58Å; F481-W485 HydrophobicContact CE1-CG 4.42Å; F481-W485 AromaticContact CE2-CD1 3.46Å; F481-W485 VanDerWaalsContact CE2-CD1 3.46Å; F481-W485 AromaticContact CE2-NE1 3.04Å; F481-W485 AromaticContact CG-CD1 3.77Å; F481-W485 AromaticContact CZ-CD1 3.44Å; F481-W485 VanDerWaalsContact CZ-CD1 3.44Å; F481-W485 HydrophobicContact CZ-CG 4.35Å; F481-W485 AromaticContact CZ-NE1 3.4Å; F481-W485 PolarHBondContact O-N 2.74Å; F481-W485 VanDerWaalsContact O-N 3.14Å; I482-W485 PolarHBondContact O-N 2.79Å |
| 486 | T | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -120.5 | 164.2 | -172.6 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | Y138 K140 L213 F447 I482 L488 | Y138-T486 CarbonylContact O-C 3.55Å; Y138-T486 WeakPolarHBondContact O-CA 3.21Å; Y138-T486 WeakPolarHBondContact O-CB 3.44Å; K140-T486 WeakPolarHBondContact CE-O 3.47Å; K140-T486 WeakPolarHBondContact CG-O 3.25Å; L213-T486 HydrophobicContact CD1-CG2 4.47Å; L213-T486 HydrophobicContact CD2-CG2 4.1Å; F447-T486 HydrophobicContact CE2-CG2 3.92Å; F447-T486 HydrophobicContact CZ-CG2 3.85Å; I482-T486 VanDerWaalsContact CG2-OG1 3.29Å; I482-T486 WeakPolarHBondContact CG2-OG1 3.48Å; I482-T486 WeakPolarHBondContact O-CB 3.19Å; I482-T486 PolarHBondContact O-N 3.04Å; I482-T486 PolarHBondContact O-OG1 2.88Å; T486-L488 VanDerWaalsContact C-N 3.34Å; T486-L488 HydrophobicContact CG2-CD1 4.45Å; T486-L488 WeakPolarHBondContact OG1-CB 3.44Å; T486-L488 WeakPolarHBondContact OG1-CG 3.21Å; T486-L488 PolarHBondContact OG1-N 3Å |
| 487 | T | 98 | Very high | 98 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | trans | -92.8 | 5.4 | 171.7 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | Y137 Y138 K140 L231 | Y137-T487 WeakPolarHBondContact O-CB 3.43Å; Y137-T487 WeakPolarHBondContact O-CG2 3.31Å; Y137-T487 PolarHBondContact O-OG1 3.29Å; Y138-T487 WeakPolarHBondContact CA-OG1 3.41Å; Y138-T487 PolarHBondContact O-N 2.83Å; Y138-T487 PolarHBondContact O-OG1 3.04Å; K140-T487 HydrophobicContact CB-CG2 4.47Å; K140-T487 HydrophobicContact CG-CG2 3.96Å; L231-T487 WeakPolarHBondContact CD2-OG1 3.45Å | ||
| 488 | L | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | trans | -62 | 146.8 | -177.2 | -60.3 | 178.9 | 0 | 0 | 0 | 111.2 | Y138 L231 R233 V451 I482 T486 | Y138-L488 HydrophobicContact CD1-CD2 4.09Å; L231-L488 HydrophobicContact CD2-CD2 4.23Å; L231-L488 WeakPolarHBondContact O-CA 3.3Å; R233-L488 HydrophobicContact CG-CB 4.45Å; R233-L488 HydrophobicContact CG-CD1 4.29Å; V451-L488 HydrophobicContact CG2-CD1 4.38Å; I482-L488 HydrophobicContact CG2-CB 4.08Å; I482-L488 HydrophobicContact CG2-CD1 4.29Å; T486-L488 VanDerWaalsContact C-N 3.34Å; T486-L488 HydrophobicContact CG2-CD1 4.45Å; T486-L488 WeakPolarHBondContact OG1-CB 3.44Å; T486-L488 WeakPolarHBondContact OG1-CG 3.21Å; T486-L488 PolarHBondContact OG1-N 3Å | ||
| 489 | K | 98.5 | Very high | 98 | Very high | 140 Ų | 140 | 36.8 Ų | 36.8 | 61% | 0.609 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.6 | 175.3 | -60.6 | -176.9 | -177.3 | 179.6 | 0 | 108.5 | L231 T232 R233 | L231-K489 PolarHBondContact O-N 3.35Å; T232-K489 CarbonylContact C-O 3.37Å; T232-K489 WeakPolarHBondContact CA-O 3.44Å; R233-K489 PolarHBondContact N-O 3.39Å |
| 490 | L | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.4 | -179.8 | -51.5 | -176.4 | 0 | 0 | 0 | 109.5 | R233 V270 T271 F450 V479 I482 | R233-L490 HydrophobicContact CB-CD2 3.57Å; R233-L490 HydrophobicContact CG-CD2 3.91Å; R233-L490 WeakPolarHBondContact O-CA 3.5Å; V270-L490 WeakPolarHBondContact CA-O 3.5Å; V270-L490 HydrophobicContact CB-CB 4.16Å; V270-L490 HydrophobicContact CG1-CB 4.02Å; V270-L490 HydrophobicContact CG2-CB 3.77Å; V270-L490 HydrophobicContact CG2-CD1 3.86Å; V270-L490 HydrophobicContact CG2-CG 4.48Å; T271-L490 PolarHBondContact N-O 3.03Å; F450-L490 HydrophobicContact CD1-CD1 4.38Å; F450-L490 HydrophobicContact CD1-CD2 4.06Å; F450-L490 HydrophobicContact CE1-CD1 4.21Å; F450-L490 HydrophobicContact CE1-CD2 4.46Å; V479-L490 HydrophobicContact CB-CD1 3.86Å; V479-L490 HydrophobicContact CG1-CD1 3.59Å; I482-L490 HydrophobicContact CD1-CD1 4.35Å; I482-L490 HydrophobicContact CG2-CD1 4.46Å; I482-L490 HydrophobicContact CG2-CD2 4.4Å |
| 491 | E | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 27% | 0.271 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 142.4 | -177.1 | -176.7 | 173.2 | -168.4 | 0 | 0 | 111.1 | T232 R233 Y234 L235 I493 | T232-E491 HydrophobicContact CG2-CB 4.39Å; R233-E491 PolarHBondContact O-N 3.5Å; Y234-E491 CarbonylContact C-O 3.54Å; Y234-E491 WeakPolarHBondContact CA-O 3.28Å; Y234-E491 HydrophobicContact CD1-CB 4.48Å; L235-E491 PolarHBondContact N-O 3.2Å; E491-I493 HydrophobicContact CG-CG2 4.01Å |
| 492 | T | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | trans | -107.3 | 129.4 | 169.9 | -62.8 | 0 | 0 | 0 | 0 | 109.2 | L235 T271 N272 W318 | L235-T492 WeakPolarHBondContact O-CB 2.95Å; L235-T492 PolarHBondContact O-OG1 3.41Å; T271-T492 PolarHBondContact O-N 3.4Å; N272-T492 WeakPolarHBondContact CB-O 3.22Å; W318-T492 HydrophobicContact CH2-CG2 3.91Å; W318-T492 HydrophobicContact CZ3-CG2 3.84Å | ||
| 493 | I | 98.2 | Very high | 98 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | trans | -128.1 | 161.2 | 176.3 | 60.6 | 172.5 | 0 | 0 | 0 | 109.6 | Y234 E491 A497 L498 Q501 | Y234-I493 HydrophobicContact CD1-CD1 3.6Å; Y234-I493 HydrophobicContact CD1-CG1 3.84Å; Y234-I493 HydrophobicContact CD1-CG2 4.22Å; Y234-I493 HydrophobicContact CE1-CD1 3.71Å; Y234-I493 HydrophobicContact CE1-CG1 4.34Å; Y234-I493 HydrophobicContact CE1-CG2 4.25Å; Y234-I493 HydrophobicContact CG-CD1 4.19Å; Y234-I493 HydrophobicContact CG-CG1 4.48Å; E491-I493 HydrophobicContact CG-CG2 4.01Å; I493-A497 HydrophobicContact CD1-CB 4.27Å; I493-L498 HydrophobicContact CD1-CB 4.24Å; I493-L498 HydrophobicContact CD1-CD1 4.23Å; I493-L498 HydrophobicContact CG1-CB 4.07Å; I493-L498 HydrophobicContact CG1-CD1 4.16Å; I493-Q501 HydrophobicContact CD1-CG 4.15Å | ||
| 494 | P | 97.9 | Very high | 98.1 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 29% | 0.292 | 21% | 0.209 | S | C | . | . | trans | -49.3 | 140.5 | 175.5 | -34.5 | 40.6 | 0 | 0 | 0 | 113.7 | F357 S496 A497 L498 | F357-P494 HydrophobicContact CD1-CB 3.82Å; F357-P494 HydrophobicContact CE1-CB 3.44Å; F357-P494 VanDerWaalsContact CE1-CB 3.44Å; F357-P494 HydrophobicContact CE1-CG 3.74Å; F357-P494 HydrophobicContact CZ-CB 3.81Å; F357-P494 HydrophobicContact CZ-CG 3.87Å; P494-S496 PolarHBondContact O-N 3.04Å; P494-S496 VanDerWaalsContact O-N 3.15Å; P494-A497 HydrophobicContact CB-CB 4.21Å; P494-A497 PolarHBondContact O-N 3.44Å; P494-A497 VanDerWaalsContact O-N 3.09Å; P494-L498 WeakPolarHBondContact O-CB 3.27Å; P494-L498 PolarHBondContact O-N 2.99Å | ||
| 495 | P | 97.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.9 | -34.3 | 178.7 | -27.4 | 33.1 | 0 | 0 | 0 | 114.9 | F357 Y359 L498 A499 | F357-P495 HydrophobicContact CB-CG 4.22Å; F357-P495 VanDerWaalsContact CD2-CD 3.42Å; F357-P495 HydrophobicContact CD2-CG 4.08Å; F357-P495 HydrophobicContact CG-CG 4.29Å; Y359-P495 HydrophobicContact CD1-CG 4.45Å; Y359-P495 HydrophobicContact CD2-CB 4.08Å; Y359-P495 HydrophobicContact CG-CB 3.89Å; Y359-P495 HydrophobicContact CG-CG 4.26Å; P495-L498 WeakPolarHBondContact O-CB 3.35Å; P495-A499 WeakPolarHBondContact O-CB 3.36Å; P495-A499 PolarHBondContact O-N 2.85Å |
| 496 | S | 97.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -51.4 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | P494 L498 A499 E500 | P494-S496 PolarHBondContact O-N 3.04Å; P494-S496 VanDerWaalsContact O-N 3.15Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 3.25Å; S496-A499 PolarHBondContact O-N 3.23Å; S496-A499 VanDerWaalsContact O-N 3.14Å; S496-E500 WeakPolarHBondContact O-CG 3.49Å; S496-E500 PolarHBondContact O-N 3.23Å |
| 497 | A | 98.3 | Very high | 98 | Very high | 30 Ų | 30 | 44 Ų | 44 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I493 P494 A499 E500 Q501 | I493-A497 HydrophobicContact CD1-CB 4.27Å; P494-A497 HydrophobicContact CB-CB 4.21Å; P494-A497 PolarHBondContact O-N 3.44Å; P494-A497 VanDerWaalsContact O-N 3.09Å; A497-A499 VanDerWaalsContact C-N 3.31Å; A497-A499 PolarHBondContact O-N 3.23Å; A497-E500 PolarHBondContact O-N 3.44Å; A497-Q501 WeakPolarHBondContact O-CB 2.98Å; A497-Q501 VanDerWaalsContact O-CG 3.27Å; A497-Q501 WeakPolarHBondContact O-CG 3.45Å; A497-Q501 PolarHBondContact O-N 3.21Å |
| 498 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 174.3 | -176.1 | 64.6 | 0 | 0 | 0 | 111.4 | Y234 Q236 L413 F455 I457 I493 P494 P495 S496 Q501 Y502 | Y234-L498 HydrophobicContact CD2-CD1 4.35Å; Y234-L498 HydrophobicContact CG-CD1 3.88Å; Q236-L498 HydrophobicContact CB-CD2 4.16Å; L413-L498 HydrophobicContact CD1-CD2 4.1Å; L413-L498 HydrophobicContact CD1-CG 4.15Å; F455-L498 HydrophobicContact CD1-CD1 3.78Å; F455-L498 HydrophobicContact CE1-CD1 4.44Å; I457-L498 HydrophobicContact CD1-CD2 4.15Å; I457-L498 HydrophobicContact CG1-CD2 3.76Å; I493-L498 HydrophobicContact CD1-CB 4.24Å; I493-L498 HydrophobicContact CD1-CD1 4.23Å; I493-L498 HydrophobicContact CG1-CB 4.07Å; I493-L498 HydrophobicContact CG1-CD1 4.16Å; P494-L498 WeakPolarHBondContact O-CB 3.27Å; P494-L498 PolarHBondContact O-N 2.99Å; P495-L498 WeakPolarHBondContact O-CB 3.35Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 3.25Å; L498-Q501 PolarHBondContact O-N 3.23Å; L498-Y502 WeakPolarHBondContact O-CB 3.06Å; L498-Y502 PolarHBondContact O-N 2.98Å |
| 499 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V387 M411 L413 P495 S496 A497 Q501 Y502 F503 | V387-A499 HydrophobicContact CB-CB 4.43Å; V387-A499 HydrophobicContact CG1-CB 3.77Å; V387-A499 HydrophobicContact CG2-CB 3.69Å; M411-A499 HydrophobicContact CB-CB 3.91Å; M411-A499 HydrophobicContact CE-CB 3.86Å; M411-A499 HydrophobicContact CG-CB 4.38Å; M411-A499 HydrophobicContact SD-CB 3.61Å; L413-A499 HydrophobicContact CD1-CB 4.07Å; L413-A499 HydrophobicContact CD2-CB 3.98Å; L413-A499 HydrophobicContact CG-CB 4.27Å; P495-A499 WeakPolarHBondContact O-CB 3.36Å; P495-A499 PolarHBondContact O-N 2.85Å; S496-A499 PolarHBondContact O-N 3.23Å; S496-A499 VanDerWaalsContact O-N 3.14Å; A497-A499 VanDerWaalsContact C-N 3.31Å; A497-A499 PolarHBondContact O-N 3.23Å; A499-Q501 PolarHBondContact O-N 3.46Å; A499-Y502 WeakPolarHBondContact O-CB 3.48Å; A499-Y502 PolarHBondContact O-N 3.28Å; A499-Y502 VanDerWaalsContact O-N 3.17Å; A499-F503 VanDerWaalsContact O-CD2 3.26Å; A499-F503 WeakPolarHBondContact O-CD2 3.42Å; A499-F503 PolarHBondContact O-N 3.11Å |
| 500 | E | 98.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 45.4 Ų | 45.4 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.1 | -70.5 | 170.7 | -170.8 | 0 | 0 | 111.4 | M411 S496 A497 Y502 F503 Q504 | M411-E500 HydrophobicContact CE-CG 4.42Å; S496-E500 WeakPolarHBondContact O-CG 3.49Å; S496-E500 PolarHBondContact O-N 3.23Å; A497-E500 PolarHBondContact O-N 3.44Å; E500-Y502 VanDerWaalsContact C-N 3.29Å; E500-Y502 PolarHBondContact O-N 3.23Å; E500-F503 PolarHBondContact O-N 3.11Å; E500-Q504 VanDerWaalsContact O-CB 3.25Å; E500-Q504 WeakPolarHBondContact O-CB 3.34Å; E500-Q504 PolarHBondContact O-N 3.41Å |
| 501 | Q | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 175.3 | -71.8 | -60.6 | -54.1 | 0 | 0 | 111.7 | Y234 F455 I493 A497 L498 A499 H505 | Y234-Q501 HydrophobicContact CE2-CB 4.49Å; F455-Q501 HydrophobicContact CE1-CB 3.76Å; F455-Q501 HydrophobicContact CZ-CB 4.28Å; F455-Q501 WeakPolarHBondContact CZ-O 3.47Å; I493-Q501 HydrophobicContact CD1-CG 4.15Å; A497-Q501 WeakPolarHBondContact O-CB 2.98Å; A497-Q501 VanDerWaalsContact O-CG 3.27Å; A497-Q501 WeakPolarHBondContact O-CG 3.45Å; A497-Q501 PolarHBondContact O-N 3.21Å; L498-Q501 PolarHBondContact O-N 3.23Å; A499-Q501 PolarHBondContact O-N 3.46Å; Q501-H505 VanDerWaalsContact O-CB 3.28Å; Q501-H505 WeakPolarHBondContact O-CB 3.33Å; Q501-H505 PolarHBondContact O-N 3.46Å |
| 502 | Y | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -54.5 | 177.1 | -174.5 | -83 | 0 | 0 | 0 | 111.8 | G404 L413 P414 F455 L498 A499 E500 Q504 H505 Y506 E509 | G404-Y502 PolarHBondContact N-OH 3.31Å; L413-Y502 HydrophobicContact CD2-CD1 4.08Å; L413-Y502 HydrophobicContact CD2-CD2 4.17Å; L413-Y502 HydrophobicContact CD2-CG 3.7Å; P414-Y502 HydrophobicContact CG-CD2 4.49Å; P414-Y502 HydrophobicContact CG-CE2 3.51Å; P414-Y502 WeakPolarHBondContact CG-OH 3.49Å; F455-Y502 HydrophobicContact CB-CD2 3.81Å; F455-Y502 HydrophobicContact CB-CE2 4.27Å; F455-Y502 HydrophobicContact CD1-CD2 4.05Å; F455-Y502 AromaticContact CD2-CD2 3.6Å; F455-Y502 HydrophobicContact CD2-CD2 3.6Å; F455-Y502 HydrophobicContact CD2-CE2 4.1Å; F455-Y502 HydrophobicContact CE2-CD2 4.17Å; F455-Y502 AromaticContact CG-CD2 3.55Å; F455-Y502 HydrophobicContact CG-CD2 3.55Å; F455-Y502 HydrophobicContact CG-CE2 4.28Å; F455-Y502 HydrophobicContact CG-CG 4.47Å; F455-Y502 VanDerWaalsContact CZ-CA 3.48Å; L498-Y502 WeakPolarHBondContact O-CB 3.06Å; L498-Y502 PolarHBondContact O-N 2.98Å; A499-Y502 WeakPolarHBondContact O-CB 3.48Å; A499-Y502 PolarHBondContact O-N 3.28Å; A499-Y502 VanDerWaalsContact O-N 3.17Å; E500-Y502 VanDerWaalsContact C-N 3.29Å; E500-Y502 PolarHBondContact O-N 3.23Å; Y502-Q504 VanDerWaalsContact C-N 3.35Å; Y502-Q504 PolarHBondContact O-N 3.34Å; Y502-H505 PolarHBondContact O-N 3.04Å; Y502-H505 VanDerWaalsContact O-N 3.16Å; Y502-Y506 HydrophobicContact CD1-CD2 4.24Å; Y502-Y506 HydrophobicContact CD2-CD2 4.06Å; Y502-Y506 HydrophobicContact CD2-CE2 4.31Å; Y502-Y506 AromaticContact CE1-CD2 3.85Å; Y502-Y506 HydrophobicContact CE1-CD2 3.85Å; Y502-Y506 AromaticContact CE2-CD2 3.69Å; Y502-Y506 HydrophobicContact CE2-CD2 3.69Å; Y502-Y506 AromaticContact CE2-CE2 3.83Å; Y502-Y506 HydrophobicContact CE2-CE2 3.83Å; Y502-Y506 HydrophobicContact CG-CD2 4.31Å; Y502-Y506 AromaticContact CZ-CD2 3.54Å; Y502-Y506 PolarHBondContact O-N 2.9Å; Y502-E509 WeakPolarHBondContact CE1-OE2 3.47Å; Y502-E509 VanDerWaalsContact CZ-OE2 3.26Å; Y502-E509 PolarHBondContact OH-OE2 3.41Å |
| 503 | F | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.8 | -23.3 | -176.3 | -71.2 | -70.1 | 0 | 0 | 0 | 113.2 | F405 I406 M411 L413 A499 E500 H505 Y506 P507 L510 | F405-F503 WeakPolarHBondContact O-CZ 3.33Å; I406-F503 HydrophobicContact CD1-CD1 4.33Å; I406-F503 HydrophobicContact CD1-CD2 4.23Å; I406-F503 HydrophobicContact CD1-CE1 4.5Å; I406-F503 HydrophobicContact CD1-CE2 4.44Å; I406-F503 HydrophobicContact CD1-CG 4.19Å; I406-F503 HydrophobicContact CG1-CD1 4.2Å; I406-F503 HydrophobicContact CG1-CD2 4.28Å; I406-F503 HydrophobicContact CG1-CE1 3.88Å; I406-F503 HydrophobicContact CG1-CE2 4.01Å; I406-F503 HydrophobicContact CG1-CG 4.39Å; I406-F503 HydrophobicContact CG1-CZ 3.79Å; M411-F503 HydrophobicContact CB-CD2 4.2Å; M411-F503 HydrophobicContact CB-CE2 3.63Å; M411-F503 HydrophobicContact CG-CD2 3.75Å; M411-F503 HydrophobicContact CG-CE2 3.63Å; M411-F503 HydrophobicContact SD-CD2 3.76Å; M411-F503 HydrophobicContact SD-CE2 4.19Å; L413-F503 HydrophobicContact CD2-CE2 4.15Å; A499-F503 VanDerWaalsContact O-CD2 3.26Å; A499-F503 WeakPolarHBondContact O-CD2 3.42Å; A499-F503 PolarHBondContact O-N 3.11Å; E500-F503 PolarHBondContact O-N 3.11Å; F503-H505 VanDerWaalsContact C-N 3.34Å; F503-Y506 CarbonylContact O-C 3.49Å; F503-P507 WeakPolarHBondContact O-CA 3.42Å; F503-L510 HydrophobicContact CB-CD2 4.02Å; F503-L510 HydrophobicContact CD1-CD2 3.8Å; F503-L510 HydrophobicContact CG-CD2 4.12Å |
| 504 | Q | 97.7 | Very high | 96.9 | Very high | 140 Ų | 140 | 44.9 Ų | 44.9 | 65% | 0.654 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.4 | -38.8 | 166.9 | -173.8 | 178.6 | 15.3 | 0 | 0 | 111.4 | E500 Y502 | E500-Q504 VanDerWaalsContact O-CB 3.25Å; E500-Q504 WeakPolarHBondContact O-CB 3.34Å; E500-Q504 PolarHBondContact O-N 3.41Å; Y502-Q504 VanDerWaalsContact C-N 3.35Å; Y502-Q504 PolarHBondContact O-N 3.34Å |
| 505 | H | 96.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -77.8 | -33.5 | 179.1 | -168.2 | 79.3 | 0 | 0 | 0 | 112.7 | F455 Q501 Y502 F503 P507 | F455-H505 HydrophobicContact CE2-CB 3.86Å; F455-H505 AromaticContact CE2-CD2 3.9Å; F455-H505 AromaticContact CE2-CG 3.98Å; F455-H505 HydrophobicContact CZ-CB 3.84Å; Q501-H505 VanDerWaalsContact O-CB 3.28Å; Q501-H505 WeakPolarHBondContact O-CB 3.33Å; Q501-H505 PolarHBondContact O-N 3.46Å; Y502-H505 PolarHBondContact O-N 3.04Å; Y502-H505 VanDerWaalsContact O-N 3.16Å; F503-H505 VanDerWaalsContact C-N 3.34Å; H505-P507 VanDerWaalsContact C-CD 3.47Å; H505-P507 WeakPolarHBondContact O-CD 3.21Å |
| 506 | Y | 96.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | trans | -122 | 68.8 | -179.6 | -59.2 | -61.2 | 0 | 0 | 0 | 112.5 | K38 F455 Y502 F503 D508 E509 | K38-Y506 HydrophobicContact CG-CD1 4.22Å; K38-Y506 HydrophobicContact CG-CE1 3.73Å; F455-Y506 HydrophobicContact CD2-CD2 4.43Å; F455-Y506 AromaticContact CD2-CE2 3.75Å; F455-Y506 HydrophobicContact CD2-CE2 3.75Å; F455-Y506 HydrophobicContact CE2-CD2 4.23Å; F455-Y506 AromaticContact CE2-CE2 3.76Å; F455-Y506 HydrophobicContact CE2-CE2 3.76Å; Y502-Y506 HydrophobicContact CD1-CD2 4.24Å; Y502-Y506 HydrophobicContact CD2-CD2 4.06Å; Y502-Y506 HydrophobicContact CD2-CE2 4.31Å; Y502-Y506 AromaticContact CE1-CD2 3.85Å; Y502-Y506 HydrophobicContact CE1-CD2 3.85Å; Y502-Y506 AromaticContact CE2-CD2 3.69Å; Y502-Y506 HydrophobicContact CE2-CD2 3.69Å; Y502-Y506 AromaticContact CE2-CE2 3.83Å; Y502-Y506 HydrophobicContact CE2-CE2 3.83Å; Y502-Y506 HydrophobicContact CG-CD2 4.31Å; Y502-Y506 AromaticContact CZ-CD2 3.54Å; Y502-Y506 PolarHBondContact O-N 2.9Å; F503-Y506 CarbonylContact O-C 3.49Å; Y506-D508 PolarHBondContact O-N 3.26Å; Y506-E509 PolarHBondContact O-N 3.31Å | ||
| 507 | P | 95.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -64.9 | -23 | -176.8 | 26.8 | -35.8 | 0 | 0 | 0 | 113.8 | F503 H505 E509 L510 | F503-P507 WeakPolarHBondContact O-CA 3.42Å; H505-P507 VanDerWaalsContact C-CD 3.47Å; H505-P507 WeakPolarHBondContact O-CD 3.21Å; P507-E509 PolarHBondContact O-N 3.42Å; P507-L510 VanDerWaalsContact O-CD1 3.3Å; P507-L510 WeakPolarHBondContact O-CD1 3.27Å; P507-L510 WeakPolarHBondContact O-CG 3.4Å |
| 508 | D | 92.7 | Very high | 96.1 | Very high | 147 Ų | 147 | 44.1 Ų | 44.1 | 79% | 0.786 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -77.2 | -5.6 | 176.8 | -61.4 | -37.7 | 0 | 0 | 0 | 113.1 | R403 Y506 | R403-D508 PolarHBondContact NH2-O 3.44Å; Y506-D508 PolarHBondContact O-N 3.26Å |
| 509 | E | 95.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -99.3 | 9.2 | 178.7 | -55.3 | -164.2 | 160.9 | 0 | 0 | 113.6 | K38 R403 G404 F405 Y502 Y506 P507 N511 | K38-E509 WeakPolarHBondContact CE-OE1 3.17Å; K38-E509 IonicContact NZ-OE1 3.65Å; K38-E509 PolarHBondContact NZ-OE1 3.16Å; R403-E509 WeakPolarHBondContact CA-OE2 3.46Å; R403-E509 HydrophobicContact CB-CG 4.26Å; R403-E509 WeakPolarHBondContact CB-OE1 3.34Å; R403-E509 WeakPolarHBondContact CB-OE2 3.39Å; R403-E509 IonicContact NE-OE1 2.59Å; G404-E509 CarbonylContact C-O 3.51Å; G404-E509 PolarHBondContact N-OE2 3.2Å; F405-E509 VanDerWaalsContact CA-O 3.29Å; F405-E509 WeakPolarHBondContact CA-O 3.47Å; Y502-E509 WeakPolarHBondContact CE1-OE2 3.47Å; Y502-E509 VanDerWaalsContact CZ-OE2 3.26Å; Y502-E509 PolarHBondContact OH-OE2 3.41Å; Y506-E509 PolarHBondContact O-N 3.31Å; P507-E509 PolarHBondContact O-N 3.42Å; E509-N511 VanDerWaalsContact C-N 3.34Å; E509-N511 PolarHBondContact O-N 2.76Å |
| 510 | L | 95.6 | Very high | 95.4 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -60.6 | -40.1 | 178.7 | -67.8 | 168.3 | 0 | 0 | 0 | 113.3 | I406 F503 P507 | I406-L510 HydrophobicContact CD1-CD2 3.54Å; I406-L510 HydrophobicContact CG1-CD2 4.28Å; I406-L510 PolarHBondContact N-O 3.25Å; F503-L510 HydrophobicContact CB-CD2 4.02Å; F503-L510 HydrophobicContact CD1-CD2 3.8Å; F503-L510 HydrophobicContact CG-CD2 4.12Å; P507-L510 VanDerWaalsContact O-CD1 3.3Å; P507-L510 WeakPolarHBondContact O-CD1 3.27Å; P507-L510 WeakPolarHBondContact O-CG 3.4Å |
| 511 | N | 95 | Very high | 95 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -95.4 | 137.5 | -176.5 | -65.4 | -44.5 | 0 | 0 | 0 | 111.2 | E509 | E509-N511 VanDerWaalsContact C-N 3.34Å; E509-N511 PolarHBondContact O-N 2.76Å |
| 512 | P | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -62 | 150 | 172.8 | 25.8 | -33 | 0 | 0 | 0 | 110.6 | Y393 F405 W514 Y601 L602 | Y393-P512 WeakPolarHBondContact OH-CA 3.27Å; F405-P512 HydrophobicContact CB-CB 4.01Å; F405-P512 HydrophobicContact CD2-CB 3.72Å; F405-P512 HydrophobicContact CD2-CG 4.26Å; F405-P512 HydrophobicContact CE2-CB 4.37Å; F405-P512 HydrophobicContact CG-CB 3.98Å; P512-W514 HydrophobicContact CB-CD2 4.25Å; P512-W514 HydrophobicContact CB-CE3 4.13Å; P512-W514 HydrophobicContact CB-CH2 3.65Å; P512-W514 HydrophobicContact CB-CZ2 3.79Å; P512-W514 HydrophobicContact CB-CZ3 3.82Å; P512-W514 HydrophobicContact CG-CD2 4.38Å; P512-W514 HydrophobicContact CG-CH2 3.51Å; P512-W514 HydrophobicContact CG-CZ2 3.22Å; P512-W514 HydrophobicContact CG-CZ3 4.19Å; P512-Y601 WeakPolarHBondContact O-CE1 3.34Å; P512-Y601 PolarHBondContact O-OH 2.67Å; P512-L602 HydrophobicContact CG-CD2 4.34Å | ||
| 513 | V | 95.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | trans | -110.9 | 98.8 | 170.9 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | Y369 Y393 G515 Y601 L637 A641 | Y369-V513 PolarHBondContact OH-O 2.92Å; Y393-V513 PolarHBondContact OH-N 2.94Å; V513-G515 PolarHBondContact O-N 3.26Å; V513-G515 VanDerWaalsContact O-N 3.11Å; V513-Y601 WeakPolarHBondContact CA-OH 3.42Å; V513-L637 HydrophobicContact CG1-CD2 3.75Å; V513-L637 HydrophobicContact CG2-CD2 3.88Å; V513-A641 HydrophobicContact CG1-CB 3.47Å; V513-A641 VanDerWaalsContact CG1-CB 3.47Å | ||
| 514 | W | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -64.3 | 109.9 | -178 | -54.7 | 129.7 | 0 | 0 | 0 | 111.1 | Y369 T371 Y407 P512 F595 Y601 I605 A641 L642 | Y369-W514 HydrophobicContact CD2-CZ3 4.17Å; Y369-W514 AromaticContact CE2-CE3 3.77Å; Y369-W514 HydrophobicContact CE2-CE3 3.77Å; Y369-W514 AromaticContact CE2-CZ3 3.85Å; Y369-W514 HydrophobicContact CE2-CZ3 3.85Å; T371-W514 HydrophobicContact CG2-CH2 3.8Å; T371-W514 HydrophobicContact CG2-CZ3 3.96Å; Y407-W514 AromaticContact CD2-CH2 3.91Å; Y407-W514 HydrophobicContact CD2-CH2 3.91Å; Y407-W514 HydrophobicContact CD2-CZ2 4.09Å; Y407-W514 HydrophobicContact CE2-CH2 4.04Å; Y407-W514 HydrophobicContact CE2-CZ2 4.05Å; P512-W514 HydrophobicContact CB-CD2 4.25Å; P512-W514 HydrophobicContact CB-CE3 4.13Å; P512-W514 HydrophobicContact CB-CH2 3.65Å; P512-W514 HydrophobicContact CB-CZ2 3.79Å; P512-W514 HydrophobicContact CB-CZ3 3.82Å; P512-W514 HydrophobicContact CG-CD2 4.38Å; P512-W514 HydrophobicContact CG-CH2 3.51Å; P512-W514 HydrophobicContact CG-CZ2 3.22Å; P512-W514 HydrophobicContact CG-CZ3 4.19Å; W514-F595 AromaticContact CD1-CZ 3.82Å; W514-Y601 AromaticContact CD1-CD2 3.93Å; W514-Y601 AromaticContact CD1-CE2 3.33Å; W514-Y601 AromaticContact CD1-CZ 3.38Å; W514-Y601 HydrophobicContact CG-CE2 4.3Å; W514-Y601 PolarHBondContact N-OH 3.23Å; W514-Y601 AromaticContact NE1-CE2 3.98Å; W514-Y601 AromaticContact NE1-CZ 3.89Å; W514-Y601 PolarHBondContact NE1-O 2.81Å; W514-I605 HydrophobicContact CB-CD1 4.02Å; W514-I605 HydrophobicContact CB-CG1 3.77Å; W514-I605 HydrophobicContact CD2-CD1 4.42Å; W514-I605 HydrophobicContact CD2-CG1 4.04Å; W514-I605 HydrophobicContact CE3-CD1 4.13Å; W514-I605 HydrophobicContact CE3-CG1 4.2Å; W514-I605 HydrophobicContact CG-CD1 4.39Å; W514-I605 HydrophobicContact CG-CG1 3.84Å; W514-A641 CarbonylContact O-C 3.27Å; W514-A641 VanDerWaalsContact O-C 3.27Å; W514-A641 VanDerWaalsContact O-CB 3.31Å; W514-A641 WeakPolarHBondContact O-CB 3.14Å; W514-L642 HydrophobicContact CB-CD1 4.37Å; W514-L642 WeakPolarHBondContact O-CA 3.26Å; W514-L642 WeakPolarHBondContact O-CB 3.25Å; W514-L642 PolarHBondContact O-N 2.94Å; W514-L642 VanDerWaalsContact O-N 3.13Å | ||
| 515 | G | 94.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -78.7 | 158.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y369 V513 P517 A641 | Y369-G515 PolarHBondContact OH-N 2.99Å; V513-G515 PolarHBondContact O-N 3.26Å; V513-G515 VanDerWaalsContact O-N 3.11Å; G515-P517 WeakPolarHBondContact O-CD 3.28Å; G515-P517 VanDerWaalsContact O-N 3.17Å; G515-A641 CarbonylContact C-O 3.59Å; G515-A641 VanDerWaalsContact CA-O 3.31Å; G515-A641 WeakPolarHBondContact CA-O 3.41Å | ||
| 516 | D | 94.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | trans | -63.9 | 107.5 | 174.6 | -175.7 | -1 | 0 | 0 | 0 | 110.9 | C518 Q519 A641 L642 P644 | D516-C518 PolarHBondContact O-N 3.49Å; D516-C518 WeakPolarHBondContact OD1-CA 3.19Å; D516-C518 WeakPolarHBondContact OD1-CB 3.41Å; D516-C518 PolarHBondContact OD1-N 3.29Å; D516-C518 PolarHBondContact OD1-SG 2.95Å; D516-Q519 HydrophobicContact CB-CG 4.21Å; D516-Q519 PolarHBondContact O-N 2.72Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.36Å; D516-Q519 PolarHBondContact OD2-NE2 3.02Å; D516-A641 PolarHBondContact N-O 2.71Å; D516-L642 WeakPolarHBondContact CB-O 3.39Å; D516-P644 HydrophobicContact CB-CG 4.16Å | ||
| 517 | P | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -69.7 | -14.1 | 178.9 | 32.6 | -36.3 | 0 | 0 | 0 | 112.3 | G515 Q519 D520 H523 L527 L532 F536 I605 | G515-P517 WeakPolarHBondContact O-CD 3.28Å; G515-P517 VanDerWaalsContact O-N 3.17Å; P517-Q519 VanDerWaalsContact C-N 3.32Å; P517-D520 PolarHBondContact O-N 3.33Å; P517-H523 HydrophobicContact CB-CB 4.08Å; P517-L527 HydrophobicContact CB-CD1 3.61Å; P517-L527 HydrophobicContact CG-CD1 3.81Å; P517-L532 HydrophobicContact CB-CD2 4.49Å; P517-L532 HydrophobicContact CG-CD2 3.79Å; P517-F536 HydrophobicContact CG-CE2 4.02Å; P517-F536 HydrophobicContact CG-CZ 4.11Å; P517-I605 HydrophobicContact CG-CG2 4.32Å |
| 518 | C | 92.8 | Very high | 91.9 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 28% | 0.284 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -77.5 | -18.6 | -177.4 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | D516 C533 | D516-C518 PolarHBondContact O-N 3.49Å; D516-C518 WeakPolarHBondContact OD1-CA 3.19Å; D516-C518 WeakPolarHBondContact OD1-CB 3.41Å; D516-C518 PolarHBondContact OD1-N 3.29Å; D516-C518 PolarHBondContact OD1-SG 2.95Å; C518-C533 VanDerWaalsContact CA-SG 3.56Å; C518-C533 HydrophobicContact CB-CB 3.97Å; C518-C533 WeakPolarHBondContact CB-SG 3.5Å; C518-C533 WeakPolarHBondContact SG-CA 3.42Å; C518-C533 WeakPolarHBondContact SG-CB 3.46Å; C518-C533 CovalentContact SG-SG 2.03Å; C518-C533 PolarHBondContact SG-SG 3.14Å |
| 519 | Q | 91.4 | Very high | 91.1 | Very high | 139 Ų | 139 | 45.5 Ų | 45.5 | 65% | 0.65 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -87 | -8.9 | 174.1 | -56.6 | -58.7 | -35.1 | 0 | 0 | 113 | D516 P517 | D516-Q519 HydrophobicContact CB-CG 4.21Å; D516-Q519 PolarHBondContact O-N 2.72Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.36Å; D516-Q519 PolarHBondContact OD2-NE2 3.02Å; P517-Q519 VanDerWaalsContact C-N 3.32Å |
| 520 | D | 90.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | trans | -128.1 | 110.8 | -178.8 | -175 | -47.1 | 0 | 0 | 0 | 110.7 | H395 P517 R522 H523 L524 | H395-D520 IonicContact CD2-OD2 2.79Å; H395-D520 IonicContact CE1-OD2 2.65Å; H395-D520 PolarHBondContact CE1-OD2 3.05Å; H395-D520 IonicContact NE2-OD2 3.12Å; H395-D520 PolarHBondContact NE2-OD2 3.25Å; P517-D520 PolarHBondContact O-N 3.33Å; D520-R522 PolarHBondContact O-N 2.65Å; D520-R522 WeakPolarHBondContact OD1-CA 3.42Å; D520-R522 VanDerWaalsContact OD1-CB 3.24Å; D520-R522 WeakPolarHBondContact OD1-CB 3.21Å; D520-R522 PolarHBondContact OD1-N 3.07Å; D520-H523 HydrophobicContact CB-CB 3.89Å; D520-H523 PolarHBondContact O-N 3.15Å; D520-H523 VanDerWaalsContact O-N 3.13Å; D520-H523 IonicContact OD1-CD2 2.68Å; D520-H523 IonicContact OD1-CG 3.01Å; D520-H523 PolarHBondContact OD1-N 3.03Å; D520-H523 IonicContact OD2-CD2 3.26Å; D520-H523 IonicContact OD2-CE1 3.7Å; D520-H523 IonicContact OD2-NE2 3.67Å; D520-L524 PolarHBondContact O-N 3.38Å | ||
| 521 | K | 90.2 | Very high | 89.5 | Confident | 193 Ų | 193 | 54.9 Ų | 54.9 | 84% | 0.839 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.6 | -33.4 | -178.9 | -67 | -176.4 | 179.7 | -179.8 | 0 | 113 | A525 | K521-A525 WeakPolarHBondContact O-CB 3.35Å; K521-A525 PolarHBondContact O-N 3.06Å; K521-A525 VanDerWaalsContact O-N 3.09Å |
| 522 | R | 90.4 | Very high | 89.4 | Confident | 91 Ų | 91 | 52 Ų | 52 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.7 | -43 | 178.4 | -178.1 | -179.3 | -179.4 | 179.7 | -7.8 | 110.5 | H364 E392 D520 L524 A525 I526 | H364-R522 PolarHBondContact O-NH2 3.49Å; E392-R522 IonicContact OE1-CZ 2.72Å; E392-R522 IonicContact OE1-NE 2.87Å; E392-R522 IonicContact OE1-NH1 3.8Å; E392-R522 PolarHBondContact OE1-NH1 2.78Å; E392-R522 IonicContact OE1-NH2 3.96Å; E392-R522 PolarHBondContact OE1-NH2 3.26Å; E392-R522 IonicContact OE2-CZ 2.96Å; E392-R522 IonicContact OE2-NH1 3.65Å; E392-R522 PolarHBondContact OE2-NH1 2.83Å; D520-R522 PolarHBondContact O-N 2.65Å; D520-R522 WeakPolarHBondContact OD1-CA 3.42Å; D520-R522 VanDerWaalsContact OD1-CB 3.24Å; D520-R522 WeakPolarHBondContact OD1-CB 3.21Å; D520-R522 PolarHBondContact OD1-N 3.07Å; R522-L524 VanDerWaalsContact C-N 3.33Å; R522-L524 PolarHBondContact O-N 3Å; R522-A525 PolarHBondContact O-N 3.11Å; R522-I526 HydrophobicContact CG-CD1 4.13Å; R522-I526 WeakPolarHBondContact O-CG1 3.23Å; R522-I526 PolarHBondContact O-N 2.72Å |
| 523 | H | 92.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.8 | -69.6 | -176.4 | 0 | 0 | 0 | 111.5 | Y369 P370 P517 D520 A525 I526 L527 | Y369-H523 AromaticContact CE1-CE1 3.76Å; P370-H523 HydrophobicContact CG-CB 3.62Å; P517-H523 HydrophobicContact CB-CB 4.08Å; D520-H523 HydrophobicContact CB-CB 3.89Å; D520-H523 PolarHBondContact O-N 3.15Å; D520-H523 VanDerWaalsContact O-N 3.13Å; D520-H523 IonicContact OD1-CD2 2.68Å; D520-H523 IonicContact OD1-CG 3.01Å; D520-H523 PolarHBondContact OD1-N 3.03Å; D520-H523 IonicContact OD2-CD2 3.26Å; D520-H523 IonicContact OD2-CE1 3.7Å; D520-H523 IonicContact OD2-NE2 3.67Å; H523-A525 PolarHBondContact O-N 3.33Å; H523-I526 PolarHBondContact O-N 3.11Å; H523-L527 PolarHBondContact O-N 2.94Å; H523-L527 VanDerWaalsContact O-N 3.16Å |
| 524 | L | 91.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.8 | -170.7 | 61.2 | 0 | 0 | 0 | 112.1 | D520 R522 I526 L527 A528 L532 | D520-L524 PolarHBondContact O-N 3.38Å; R522-L524 VanDerWaalsContact C-N 3.33Å; R522-L524 PolarHBondContact O-N 3Å; L524-I526 VanDerWaalsContact C-N 3.3Å; L524-I526 PolarHBondContact O-N 3.15Å; L524-L527 PolarHBondContact O-N 3.25Å; L524-A528 PolarHBondContact O-N 3.29Å; L524-L532 HydrophobicContact CD1-CB 4.4Å; L524-L532 HydrophobicContact CD1-CD2 4.34Å |
| 525 | A | 90.6 | Very high | 89.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H330 K521 R522 H523 A528 | H330-A525 PolarHBondContact CD2-O 3.4Å; K521-A525 WeakPolarHBondContact O-CB 3.35Å; K521-A525 PolarHBondContact O-N 3.06Å; K521-A525 VanDerWaalsContact O-N 3.09Å; R522-A525 PolarHBondContact O-N 3.11Å; H523-A525 PolarHBondContact O-N 3.33Å; A525-A528 PolarHBondContact O-N 3.16Å |
| 526 | I | 91.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177.8 | -71 | 168 | 0 | 0 | 0 | 111.9 | H330 P370 R522 H523 L524 A528 | H330-I526 HydrophobicContact CB-CG2 4.25Å; H330-I526 WeakPolarHBondContact CB-O 3.32Å; P370-I526 HydrophobicContact CB-CG2 4.46Å; P370-I526 WeakPolarHBondContact O-CG2 3.28Å; R522-I526 HydrophobicContact CG-CD1 4.13Å; R522-I526 WeakPolarHBondContact O-CG1 3.23Å; R522-I526 PolarHBondContact O-N 2.72Å; H523-I526 PolarHBondContact O-N 3.11Å; L524-I526 VanDerWaalsContact C-N 3.3Å; L524-I526 PolarHBondContact O-N 3.15Å; I526-A528 VanDerWaalsContact C-N 3.27Å; I526-A528 PolarHBondContact O-N 3.41Å |
| 527 | L | 89.4 | Confident | 89.2 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.2 | -14.1 | 179.6 | -69.3 | 173.1 | 0 | 0 | 0 | 113.5 | P370 P517 H523 L524 S529 L532 I605 | P370-L527 HydrophobicContact CB-CD1 4.04Å; P370-L527 HydrophobicContact CB-CD2 3.67Å; P370-L527 HydrophobicContact CB-CG 3.74Å; P370-L527 HydrophobicContact CG-CD1 4.28Å; P370-L527 HydrophobicContact CG-CG 4.2Å; P517-L527 HydrophobicContact CB-CD1 3.61Å; P517-L527 HydrophobicContact CG-CD1 3.81Å; H523-L527 PolarHBondContact O-N 2.94Å; H523-L527 VanDerWaalsContact O-N 3.16Å; L524-L527 PolarHBondContact O-N 3.25Å; L527-S529 VanDerWaalsContact C-N 3.27Å; L527-S529 PolarHBondContact O-N 3.45Å; L527-S529 VanDerWaalsContact O-N 3.11Å; L527-L532 HydrophobicContact CB-CD2 4.04Å; L527-L532 HydrophobicContact CD1-CD2 3.53Å; L527-L532 HydrophobicContact CG-CD2 4.42Å; L527-I605 HydrophobicContact CD1-CB 4.47Å; L527-I605 HydrophobicContact CD1-CD1 4.16Å; L527-I605 HydrophobicContact CD1-CG2 4.19Å |
| 528 | A | 70.6 | Confident | 89.4 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 60% | 0.595 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | L524 A525 I526 | L524-A528 PolarHBondContact O-N 3.29Å; A525-A528 PolarHBondContact O-N 3.16Å; I526-A528 VanDerWaalsContact C-N 3.27Å; I526-A528 PolarHBondContact O-N 3.41Å |
| 529 | S | 74.2 | Confident | 89.7 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | trans | -122.9 | 102.7 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | L527 K531 L532 | L527-S529 VanDerWaalsContact C-N 3.27Å; L527-S529 PolarHBondContact O-N 3.45Å; L527-S529 VanDerWaalsContact O-N 3.11Å; S529-K531 PolarHBondContact O-N 3.1Å; S529-L532 WeakPolarHBondContact O-CB 3.47Å; S529-L532 PolarHBondContact O-N 2.96Å | ||
| 530 | D | 71.9 | Confident | 90 | Very high | 164 Ų | 164 | 53.2 Ų | 53.2 | 88% | 0.877 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -7 | -173.6 | -72.8 | -20.6 | 0 | 0 | 0 | 114.9 | ||
| 531 | K | 86 | Confident | 90.3 | Very high | 114 Ų | 114 | 52 Ų | 52 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 13.9 | -177.4 | -65.5 | 174.8 | 172.7 | -176.1 | 0 | 113.1 | S529 C533 Q534 V614 | S529-K531 PolarHBondContact O-N 3.1Å; K531-C533 PolarHBondContact O-N 2.86Å; K531-Q534 WeakPolarHBondContact O-CB 3.28Å; K531-Q534 PolarHBondContact O-N 3.44Å; K531-Q534 VanDerWaalsContact O-N 3.16Å; K531-V614 HydrophobicContact CB-CG1 4.1Å; K531-V614 HydrophobicContact CB-CG2 3.94Å; K531-V614 HydrophobicContact CD-CG1 3.81Å; K531-V614 HydrophobicContact CD-CG2 4Å; K531-V614 HydrophobicContact CG-CG1 4.22Å |
| 532 | L | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -55.6 | -52.9 | -175.6 | -174.7 | 67.7 | 0 | 0 | 0 | 112.1 | P517 L524 L527 S529 Q534 R535 F536 I605 N606 A609 | P517-L532 HydrophobicContact CB-CD2 4.49Å; P517-L532 HydrophobicContact CG-CD2 3.79Å; L524-L532 HydrophobicContact CD1-CB 4.4Å; L524-L532 HydrophobicContact CD1-CD2 4.34Å; L527-L532 HydrophobicContact CB-CD2 4.04Å; L527-L532 HydrophobicContact CD1-CD2 3.53Å; L527-L532 HydrophobicContact CG-CD2 4.42Å; S529-L532 WeakPolarHBondContact O-CB 3.47Å; S529-L532 PolarHBondContact O-N 2.96Å; L532-Q534 PolarHBondContact O-N 3.12Å; L532-R535 WeakPolarHBondContact O-CB 3.35Å; L532-R535 PolarHBondContact O-N 3.09Å; L532-F536 HydrophobicContact CD1-CZ 4.42Å; L532-F536 HydrophobicContact CD2-CZ 4.47Å; L532-F536 HydrophobicContact CG-CE2 4.4Å; L532-F536 HydrophobicContact CG-CZ 4.14Å; L532-I605 HydrophobicContact CD1-CG2 4.46Å; L532-I605 HydrophobicContact CD2-CG2 4.32Å; L532-N606 WeakPolarHBondContact CD1-OD1 3.37Å; L532-A609 HydrophobicContact CD1-CB 3.45Å; L532-A609 VanDerWaalsContact CD1-CB 3.45Å |
| 533 | C | 92.7 | Very high | 90.6 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 30% | 0.297 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.2 | -178.5 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | C518 K531 R535 | C518-C533 VanDerWaalsContact CA-SG 3.56Å; C518-C533 HydrophobicContact CB-CB 3.97Å; C518-C533 WeakPolarHBondContact CB-SG 3.5Å; C518-C533 WeakPolarHBondContact SG-CA 3.42Å; C518-C533 WeakPolarHBondContact SG-CB 3.46Å; C518-C533 CovalentContact SG-SG 2.03Å; C518-C533 PolarHBondContact SG-SG 3.14Å; K531-C533 PolarHBondContact O-N 2.86Å; C533-R535 PolarHBondContact O-N 3.09Å |
| 534 | Q | 93 | Very high | 90.5 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.6 | 177.1 | -61.8 | 175.1 | 8.1 | 0 | 0 | 113.2 | K531 L532 V614 R615 | K531-Q534 WeakPolarHBondContact O-CB 3.28Å; K531-Q534 PolarHBondContact O-N 3.44Å; K531-Q534 VanDerWaalsContact O-N 3.16Å; L532-Q534 PolarHBondContact O-N 3.12Å; Q534-V614 HydrophobicContact CB-CG1 4.14Å; Q534-V614 VanDerWaalsContact OE1-CG1 3.26Å; Q534-R615 WeakPolarHBondContact O-CG 3.4Å; Q534-R615 PolarHBondContact O-N 3.06Å; Q534-R615 PolarHBondContact O-NH1 3.18Å |
| 535 | R | 95.2 | Very high | 90 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -20.6 | -179.8 | -69 | 173.6 | 172 | -112.8 | 12.4 | 114.1 | L532 C533 A609 F612 V614 L622 | L532-R535 WeakPolarHBondContact O-CB 3.35Å; L532-R535 PolarHBondContact O-N 3.09Å; C533-R535 PolarHBondContact O-N 3.09Å; R535-A609 HydrophobicContact CB-CB 4.14Å; R535-F612 HydrophobicContact CB-CB 4.24Å; R535-F612 PolarHBondContact NH1-O 2.88Å; R535-F612 WeakPolarHBondContact O-CB 3.42Å; R535-F612 WeakPolarHBondContact O-CG 3.44Å; R535-V614 HydrophobicContact CG-CG2 4.04Å; R535-L622 WeakPolarHBondContact O-CD1 3.4Å |
| 536 | F | 95.7 | Very high | 89.2 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.4 | 141.2 | -179.5 | -68.9 | -43.8 | 0 | 0 | 0 | 112.3 | P517 L532 I605 Y608 A609 R615 L642 L643 | P517-F536 HydrophobicContact CG-CE2 4.02Å; P517-F536 HydrophobicContact CG-CZ 4.11Å; L532-F536 HydrophobicContact CD1-CZ 4.42Å; L532-F536 HydrophobicContact CD2-CZ 4.47Å; L532-F536 HydrophobicContact CG-CE2 4.4Å; L532-F536 HydrophobicContact CG-CZ 4.14Å; F536-I605 HydrophobicContact CE1-CG2 3.98Å; F536-I605 HydrophobicContact CZ-CG2 3.6Å; F536-Y608 HydrophobicContact CD1-CD1 4.12Å; F536-Y608 HydrophobicContact CD1-CE1 4.15Å; F536-Y608 HydrophobicContact CE1-CD1 4.12Å; F536-A609 HydrophobicContact CD1-CB 4.48Å; F536-A609 HydrophobicContact CE1-CB 4.05Å; F536-R615 VanDerWaalsContact O-CZ 3.32Å; F536-R615 PolarHBondContact O-NH1 2.58Å; F536-R615 PolarHBondContact O-NH2 3.24Å; F536-L642 HydrophobicContact CE1-CD1 4.25Å; F536-L642 HydrophobicContact CE1-CD2 4.46Å; F536-L642 HydrophobicContact CE1-CG 4.47Å; F536-L642 HydrophobicContact CZ-CD1 4Å; F536-L643 HydrophobicContact CB-CD2 3.63Å; F536-L643 HydrophobicContact CD1-CD2 4.04Å; F536-L643 HydrophobicContact CD2-CD2 4.45Å; F536-L643 HydrophobicContact CG-CD2 3.81Å |
| 537 | P | 96.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | trans | -67.3 | 145.4 | -180 | 27.1 | -32.8 | 0 | 0 | 0 | 112.5 | I540 Y608 F612 L622 E624 L643 | P537-I540 HydrophobicContact CG-CG2 4.45Å; P537-Y608 VanDerWaalsContact CG-OH 3.23Å; P537-Y608 WeakPolarHBondContact CG-OH 3.32Å; P537-F612 HydrophobicContact CB-CD1 4.44Å; P537-F612 HydrophobicContact CB-CE1 3.85Å; P537-F612 HydrophobicContact CB-CZ 4.11Å; P537-F612 HydrophobicContact CG-CE1 4.02Å; P537-F612 HydrophobicContact CG-CE2 4.27Å; P537-F612 HydrophobicContact CG-CZ 3.74Å; P537-L622 CarbonylContact C-O 3.55Å; P537-L622 WeakPolarHBondContact CA-O 3.31Å; P537-L622 HydrophobicContact CB-CB 4.49Å; P537-E624 HydrophobicContact CB-CB 4.48Å; P537-E624 HydrophobicContact CG-CB 4.43Å; P537-L643 HydrophobicContact CG-CD1 3.89Å | ||
| 538 | N | 97.2 | Very high | 85.8 | Confident | 63 Ų | 63 | 36.9 Ų | 36.9 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -78.8 | -30.5 | 170.8 | -61.5 | 94.3 | 0 | 0 | 0 | 111.8 | R615 V621 L622 V646 K647 | N538-R615 PolarHBondContact ND2-NH2 3.21Å; N538-R615 PolarHBondContact OD1-NE 3.2Å; N538-R615 PolarHBondContact OD1-NH2 2.84Å; N538-V621 HydrophobicContact CB-CG1 3.9Å; N538-V621 WeakPolarHBondContact OD1-CA 3.4Å; N538-L622 PolarHBondContact N-O 3.33Å; N538-L622 PolarHBondContact OD1-N 3.37Å; N538-V646 WeakPolarHBondContact O-CG2 3.22Å; N538-K647 PolarHBondContact O-N 3.36Å |
| 539 | A | 98.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L622 I623 E624 K647 L745 | A539-L622 PolarHBondContact N-O 3.17Å; A539-I623 HydrophobicContact CB-CG2 4.12Å; A539-I623 WeakPolarHBondContact O-CA 3.43Å; A539-E624 PolarHBondContact O-N 2.76Å; A539-K647 CarbonylContact C-O 3.56Å; A539-K647 WeakPolarHBondContact CA-O 3.28Å; A539-K647 HydrophobicContact CB-CB 4.04Å; A539-K647 WeakPolarHBondContact CB-O 3.12Å; A539-L745 HydrophobicContact CB-CD2 3.57Å |
| 540 | I | 97.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.1 | 170.4 | 62.4 | 172.2 | 0 | 0 | 0 | 109.9 | P537 V542 E624 V639 V646 K647 I648 V649 W713 | P537-I540 HydrophobicContact CG-CG2 4.45Å; I540-V542 HydrophobicContact CD1-CG1 4.07Å; I540-V542 HydrophobicContact CG1-CG1 4.27Å; I540-E624 CarbonylContact C-O 3.29Å; I540-E624 WeakPolarHBondContact CA-O 3.25Å; I540-E624 HydrophobicContact CG2-CB 4.06Å; I540-V639 HydrophobicContact CD1-CG1 3.72Å; I540-V639 HydrophobicContact CD1-CG2 4.05Å; I540-V646 HydrophobicContact CG1-CG2 4.33Å; I540-V646 HydrophobicContact CG2-CG2 4.04Å; I540-K647 PolarHBondContact N-O 3.38Å; I540-I648 HydrophobicContact CD1-CG1 4.19Å; I540-I648 HydrophobicContact CG1-CB 4.38Å; I540-I648 HydrophobicContact CG1-CG1 3.98Å; I540-I648 HydrophobicContact CG1-CG2 4.29Å; I540-V649 PolarHBondContact O-N 2.84Å; I540-W713 HydrophobicContact CD1-CH2 3.81Å; I540-W713 HydrophobicContact CD1-CZ3 4.04Å |
| 541 | I | 97.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.4 | 174.6 | -58.8 | 161.8 | 0 | 0 | 0 | 107.4 | T567 L570 Y571 L574 I623 E624 K625 S626 V649 I651 | I541-T567 HydrophobicContact CG2-CG2 4.03Å; I541-L570 HydrophobicContact CD1-CD2 4.31Å; I541-L570 HydrophobicContact CD1-CG 4.28Å; I541-L570 HydrophobicContact CG1-CD2 4.32Å; I541-L570 HydrophobicContact CG2-CD2 4.05Å; I541-Y571 HydrophobicContact CD1-CD2 4.14Å; I541-L574 HydrophobicContact CD1-CD1 3.83Å; I541-I623 HydrophobicContact CD1-CD1 4.23Å; I541-E624 PolarHBondContact N-O 3.11Å; I541-K625 HydrophobicContact CB-CB 4.16Å; I541-K625 HydrophobicContact CB-CG 4.22Å; I541-K625 HydrophobicContact CG2-CG 4.27Å; I541-S626 PolarHBondContact O-N 2.71Å; I541-S626 VanDerWaalsContact O-N 3.14Å; I541-V649 WeakPolarHBondContact CA-O 3.34Å; I541-V649 HydrophobicContact CG1-CB 4.34Å; I541-I651 HydrophobicContact CG2-CD1 4.27Å |
| 542 | V | 95.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 166.2 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | I540 Y629 F630 I648 V649 V650 I651 W713 | I540-V542 HydrophobicContact CD1-CG1 4.07Å; I540-V542 HydrophobicContact CG1-CG1 4.27Å; V542-Y629 HydrophobicContact CG1-CD2 4.2Å; V542-F630 HydrophobicContact CB-CB 4.38Å; V542-F630 HydrophobicContact CG2-CD2 4.31Å; V542-I648 HydrophobicContact CG2-CG2 3.77Å; V542-V649 PolarHBondContact N-O 2.76Å; V542-V650 HydrophobicContact CG2-CB 4.38Å; V542-V650 HydrophobicContact CG2-CG2 3.74Å; V542-V650 WeakPolarHBondContact O-CA 3.31Å; V542-I651 PolarHBondContact O-N 2.99Å; V542-W713 HydrophobicContact CG1-CH2 4.3Å; V542-W713 HydrophobicContact CG1-CZ2 4.24Å |
| 543 | G | 91.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 166.1 | 166.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q545 A627 F630 | G543-Q545 PolarHBondContact O-N 3.25Å; G543-A627 CarbonylContact O-C 3.53Å; G543-F630 VanDerWaalsContact C-CB 3.49Å; G543-F630 WeakPolarHBondContact O-CB 3.25Å | ||
| 544 | P | 89.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -60.3 | 137 | -179.9 | 29.5 | -34 | 0 | 0 | 0 | 109.9 | T547 F630 I651 R658 Y706 | P544-T547 HydrophobicContact CG-CG2 4.47Å; P544-F630 HydrophobicContact CB-CD1 4.15Å; P544-F630 HydrophobicContact CB-CE1 4.36Å; P544-I651 WeakPolarHBondContact CD-O 3.28Å; P544-R658 HydrophobicContact CB-CG 4.18Å; P544-Y706 HydrophobicContact CB-CE1 3.64Å; P544-Y706 HydrophobicContact CG-CE1 3.62Å | ||
| 545 | Q | 81.7 | Confident | 72.2 | Confident | 57 Ų | 57 | 34.5 Ų | 34.5 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -59.6 | 142.2 | 177.5 | -67.4 | -179.2 | -16.6 | 0 | 0 | 111 | G543 A627 T628 R658 | G543-Q545 PolarHBondContact O-N 3.25Å; Q545-A627 HydrophobicContact CG-CB 4.28Å; Q545-T628 HydrophobicContact CG-CG2 4.42Å; Q545-R658 PolarHBondContact O-NE 3.37Å; Q545-R658 PolarHBondContact O-NH2 3.29Å |
| 546 | K | 73.3 | Confident | 69.3 | Low | 47 Ų | 47 | 36.3 Ų | 36.3 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 58.1 | 87.9 | 173 | -57.7 | -64.8 | 164.3 | -176.9 | 0 | 113.1 | E565 R658 W662 H665 | K546-E565 IonicContact NZ-OE1 3.56Å; K546-E565 PolarHBondContact NZ-OE1 2.77Å; K546-R658 WeakPolarHBondContact O-CG 3.45Å; K546-W662 HydrophobicContact CB-CB 4.09Å; K546-H665 HydrophobicContact CD-CB 4.24Å; K546-H665 WeakPolarHBondContact CE-CD2 3.5Å; K546-H665 WeakPolarHBondContact CE-NE2 3.29Å; K546-H665 HydrophobicContact CG-CB 4.44Å; K546-H665 PolarHBondContact NZ-CD2 2.75Å; K546-H665 VanDerWaalsContact NZ-CD2 3.26Å; K546-H665 PolarHBondContact NZ-NE2 2.93Å |
| 547 | T | 57.3 | Low | 66.8 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -90.1 | 113.1 | 179.5 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | P544 F564 E565 G566 I653 | P544-T547 HydrophobicContact CG-CG2 4.47Å; T547-F564 CarbonylContact C-O 3.58Å; T547-F564 VanDerWaalsContact CB-O 3.23Å; T547-F564 WeakPolarHBondContact CB-O 3.29Å; T547-F564 CarbonylContact O-C 3.55Å; T547-F564 VanDerWaalsContact O-C 3.29Å; T547-F564 PolarHBondContact O-N 2.91Å; T547-F564 PolarHBondContact OG1-O 2.99Å; T547-E565 VanDerWaalsContact OG1-CA 3.27Å; T547-E565 WeakPolarHBondContact OG1-CA 3.25Å; T547-G566 PolarHBondContact OG1-N 3.33Å; T547-G566 VanDerWaalsContact OG1-N 3.12Å; T547-I653 VanDerWaalsContact CB-CD1 3.42Å; T547-I653 HydrophobicContact CG2-CD1 3.65Å; T547-I653 HydrophobicContact CG2-CG1 3.6Å; T547-I653 HydrophobicContact CG2-CG2 4.19Å | ||
| 548 | G | 54.3 | Low | 64.1 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 154.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I653 | G548-I653 VanDerWaalsContact O-CD1 3.29Å; G548-I653 WeakPolarHBondContact O-CD1 3.45Å |
| 549 | S | 51.2 | Low | 61.9 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.9 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | L561 S562 E728 K731 | S549-L561 WeakPolarHBondContact O-CA 3.36Å; S549-S562 PolarHBondContact N-O 3.46Å; S549-S562 PolarHBondContact O-N 3.37Å; S549-S562 VanDerWaalsContact O-O 3.05Å; S549-E728 PolarHBondContact OG-OE1 3.37Å; S549-E728 PolarHBondContact OG-OE2 3.32Å; S549-K731 WeakPolarHBondContact OG-CD 3.25Å; S549-K731 VanDerWaalsContact OG-CE 3.3Å; S549-K731 WeakPolarHBondContact OG-CE 3.41Å; S549-K731 PolarHBondContact OG-NZ 3.34Å |
| 550 | S | 51.5 | Low | 59.6 | Low | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 147.2 | -177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | I559 K731 | S550-I559 WeakPolarHBondContact OG-CG2 3.49Å; S550-K731 PolarHBondContact O-NZ 2.79Å |
| 551 | R | 45.6 | Very low | 57.6 | Low | 79 Ų | 79 | 50 Ų | 50 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.7 | 171.2 | -177.4 | -176.2 | 178.7 | 165.3 | 1.9 | 109.3 | I553 E560 A761 | R551-I553 HydrophobicContact CG-CG1 4.15Å; R551-E560 WeakPolarHBondContact CB-O 3.32Å; R551-E560 PolarHBondContact N-O 3.13Å; R551-E560 PolarHBondContact O-N 3.32Å; R551-A761 PolarHBondContact NH1-O 2.86Å |
| 552 | H | 41.7 | Very low | 55.8 | Low | 143 Ų | 143 | 50.2 Ų | 50.2 | 66% | 0.662 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.1 | 160.2 | -72.8 | -69.2 | 0 | 0 | 0 | 108.7 | ||
| 553 | I | 35.1 | Very low | 54.1 | Low | 76 Ų | 76 | 50.8 Ų | 50.8 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | trans | -84.3 | 135.7 | 163.2 | -59.5 | 178.3 | 0 | 0 | 0 | 106.4 | R551 G555 E560 | R551-I553 HydrophobicContact CG-CG1 4.15Å; I553-G555 PolarHBondContact O-N 3.03Å; I553-E560 HydrophobicContact CD1-CG 4.18Å | ||
| 554 | G | 32.6 | Very low | 53 | Low | 81 Ų | 81 | 50.9 Ų | 50.9 | 84% | 0.835 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -52.6 | 128.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 555 | G | 35.8 | Very low | 52.1 | Low | 65 Ų | 65 | 51.3 Ų | 51.3 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 99.4 | 102 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I553 | I553-G555 PolarHBondContact O-N 3.03Š|
| 556 | A | 34.5 | Very low | 52.1 | Low | 95 Ų | 95 | 48.6 Ų | 48.6 | 79% | 0.785 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 9.5 | 121.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 557 | S | 44.3 | Very low | 52.7 | Low | 125 Ų | 125 | 46.6 Ų | 46.6 | 87% | 0.874 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -4.8 | 154.1 | 75.8 | 0 | 0 | 0 | 0 | 121.8 | ||
| 558 | S | 40.5 | Very low | 54.2 | Low | 85 Ų | 85 | 46.8 Ų | 46.8 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | trans | -112.7 | 103 | 172.7 | -45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 559 | I | 49.2 | Very low | 55.9 | Low | 67 Ų | 67 | 46.7 Ų | 46.7 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 111.7 | 170 | -67 | 174.1 | 0 | 0 | 0 | 108.3 | S550 L561 P788 | S550-I559 WeakPolarHBondContact OG-CG2 3.49Å; I559-L561 HydrophobicContact CG2-CD2 4.22Å; I559-P788 WeakPolarHBondContact O-CG 3.3Å |
| 560 | E | 50.6 | Low | 57.9 | Low | 84 Ų | 84 | 46.7 Ų | 46.7 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129 | 169.9 | -73.3 | -173.4 | 171.7 | 0 | 0 | 109.9 | R551 I553 | R551-E560 WeakPolarHBondContact CB-O 3.32Å; R551-E560 PolarHBondContact N-O 3.13Å; R551-E560 PolarHBondContact O-N 3.32Å; I553-E560 HydrophobicContact CD1-CG 4.18Å |
| 561 | L | 55.1 | Low | 59.9 | Low | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.1 | 174.4 | -65.6 | 174.8 | 0 | 0 | 0 | 110 | S549 I559 L657 Y660 Y786 M789 | S549-L561 WeakPolarHBondContact O-CA 3.36Å; I559-L561 HydrophobicContact CG2-CD2 4.22Å; L561-L657 HydrophobicContact CD2-CD2 3.59Å; L561-Y660 HydrophobicContact CD1-CD1 3.6Å; L561-Y660 HydrophobicContact CD1-CE1 3.64Å; L561-Y786 HydrophobicContact CB-CD2 4.11Å; L561-Y786 HydrophobicContact CB-CE2 3.48Å; L561-Y786 VanDerWaalsContact CB-CE2 3.48Å; L561-Y786 HydrophobicContact CD1-CE2 4.29Å; L561-M789 HydrophobicContact CD1-CB 3.91Å |
| 562 | S | 59.8 | Low | 62.1 | Low | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145 | 175.4 | 63 | 0 | 0 | 0 | 0 | 110.5 | S549 F564 | S549-S562 PolarHBondContact N-O 3.46Å; S549-S562 PolarHBondContact O-N 3.37Å; S549-S562 VanDerWaalsContact O-O 3.05Å; S562-F564 PolarHBondContact O-N 3.45Å |
| 563 | T | 61.6 | Low | 64.6 | Low | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116.3 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | E565 S661 G783 R784 Y786 | T563-E565 HydrophobicContact CG2-CG 4.01Å; T563-S661 PolarHBondContact OG1-OG 2.61Å; T563-G783 WeakPolarHBondContact O-CA 3.33Å; T563-G783 PolarHBondContact O-N 3.4Å; T563-R784 PolarHBondContact N-O 3.43Å; T563-Y786 WeakPolarHBondContact OG1-CE1 3.07Å |
| 564 | F | 66.9 | Low | 67.5 | Low | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | trans | -110.3 | 103.8 | 168.5 | 174.3 | -108.6 | 0 | 0 | 0 | 109.3 | T547 S562 G566 A569 L730 K731 F765 | T547-F564 CarbonylContact C-O 3.58Å; T547-F564 VanDerWaalsContact CB-O 3.23Å; T547-F564 WeakPolarHBondContact CB-O 3.29Å; T547-F564 CarbonylContact O-C 3.55Å; T547-F564 VanDerWaalsContact O-C 3.29Å; T547-F564 PolarHBondContact O-N 2.91Å; T547-F564 PolarHBondContact OG1-O 2.99Å; S562-F564 PolarHBondContact O-N 3.45Å; F564-G566 VanDerWaalsContact CE1-CA 3.49Å; F564-G566 PolarHBondContact O-N 3.38Å; F564-A569 HydrophobicContact CE2-CB 3.84Å; F564-A569 HydrophobicContact CZ-CB 3.7Å; F564-L730 HydrophobicContact CZ-CD2 4.47Å; F564-L730 HydrophobicContact CZ-CG 4.32Å; F564-K731 HydrophobicContact CB-CD 4.14Å; F564-K731 HydrophobicContact CD1-CB 3.84Å; F564-K731 HydrophobicContact CD1-CD 4.25Å; F564-K731 HydrophobicContact CD1-CG 4.15Å; F564-K731 HydrophobicContact CD2-CB 4.4Å; F564-K731 HydrophobicContact CD2-CD 4.47Å; F564-K731 HydrophobicContact CD2-CG 4.04Å; F564-K731 HydrophobicContact CE1-CB 3.66Å; F564-K731 HydrophobicContact CE1-CG 4.33Å; F564-K731 HydrophobicContact CE2-CB 4.25Å; F564-K731 HydrophobicContact CE2-CG 4.22Å; F564-K731 HydrophobicContact CG-CB 4.2Å; F564-K731 HydrophobicContact CG-CD 4.02Å; F564-K731 HydrophobicContact CG-CG 4Å; F564-K731 HydrophobicContact CZ-CB 3.88Å; F564-K731 HydrophobicContact CZ-CG 4.36Å; F564-F765 HydrophobicContact CD2-CB 3.65Å; F564-F765 AromaticContact CD2-CD1 4Å; F564-F765 HydrophobicContact CD2-CD1 4Å; F564-F765 AromaticContact CD2-CG 3.84Å; F564-F765 HydrophobicContact CD2-CG 3.84Å; F564-F765 HydrophobicContact CE2-CB 3.76Å; F564-F765 HydrophobicContact CE2-CG 4.15Å | ||
| 565 | E | 71.6 | Confident | 70.4 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -80 | 84.8 | 178.4 | -72.6 | -160 | -172.9 | 0 | 0 | 112.7 | K546 T547 T563 T567 T568 A569 K782 | K546-E565 IonicContact NZ-OE1 3.56Å; K546-E565 PolarHBondContact NZ-OE1 2.77Å; T547-E565 VanDerWaalsContact OG1-CA 3.27Å; T547-E565 WeakPolarHBondContact OG1-CA 3.25Å; T563-E565 HydrophobicContact CG2-CG 4.01Å; E565-T567 VanDerWaalsContact C-N 3.32Å; E565-T567 PolarHBondContact O-N 2.62Å; E565-T568 PolarHBondContact O-N 3.24Å; E565-T568 VanDerWaalsContact O-N 3.08Å; E565-T568 PolarHBondContact OE2-OG1 3.01Å; E565-A569 PolarHBondContact O-N 3.39Å; E565-K782 HydrophobicContact CB-CD 4.22Å; E565-K782 HydrophobicContact CG-CD 3.8Å; E565-K782 WeakPolarHBondContact OE1-CD 3.27Å; E565-K782 IonicContact OE1-NZ 3.96Å; E565-K782 PolarHBondContact OE1-NZ 3.07Å; E565-K782 VanDerWaalsContact OE2-CD 3.32Å; E565-K782 WeakPolarHBondContact OE2-CD 3.28Å; E565-K782 VanDerWaalsContact OE2-CE 3.31Å; E565-K782 WeakPolarHBondContact OE2-CE 3.4Å; E565-K782 IonicContact OE2-NZ 3.79Å; E565-K782 PolarHBondContact OE2-NZ 3.44Å | ||
| 566 | G | 81.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -38 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T547 F564 T568 A569 L570 I651 L730 | T547-G566 PolarHBondContact OG1-N 3.33Å; T547-G566 VanDerWaalsContact OG1-N 3.12Å; F564-G566 VanDerWaalsContact CE1-CA 3.49Å; F564-G566 PolarHBondContact O-N 3.38Å; G566-T568 PolarHBondContact O-N 3.1Å; G566-A569 PolarHBondContact O-N 3.48Å; G566-L570 WeakPolarHBondContact O-CB 3.4Å; G566-L570 PolarHBondContact O-N 3.09Å; G566-I651 VanDerWaalsContact C-CD1 3.41Å; G566-I651 VanDerWaalsContact O-CD1 3.28Å; G566-I651 WeakPolarHBondContact O-CD1 2.84Å; G566-L730 WeakPolarHBondContact O-CD2 3.35Å |
| 567 | T | 85.5 | Confident | 76 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 112 | I541 E565 Y571 K625 I651 | I541-T567 HydrophobicContact CG2-CG2 4.03Å; E565-T567 VanDerWaalsContact C-N 3.32Å; E565-T567 PolarHBondContact O-N 2.62Å; T567-Y571 VanDerWaalsContact O-CB 3.25Å; T567-Y571 WeakPolarHBondContact O-CB 3.39Å; T567-Y571 PolarHBondContact O-N 2.82Å; T567-K625 WeakPolarHBondContact OG1-CE 3.36Å; T567-I651 HydrophobicContact CG2-CB 4.35Å; T567-I651 HydrophobicContact CG2-CD1 3.91Å; T567-I651 HydrophobicContact CG2-CG1 4.35Å |
| 568 | T | 88.6 | Confident | 78.3 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.7 | -41.6 | 176.6 | -52.7 | 0 | 0 | 0 | 0 | 111 | E565 G566 Y571 K572 K625 L778 | E565-T568 PolarHBondContact O-N 3.24Å; E565-T568 VanDerWaalsContact O-N 3.08Å; E565-T568 PolarHBondContact OE2-OG1 3.01Å; G566-T568 PolarHBondContact O-N 3.1Å; T568-Y571 PolarHBondContact O-N 2.94Å; T568-K572 WeakPolarHBondContact O-CG 3.44Å; T568-K572 PolarHBondContact O-N 3.38Å; T568-K625 WeakPolarHBondContact OG1-CE 3.43Å; T568-K625 PolarHBondContact OG1-NZ 2.93Å; T568-K625 VanDerWaalsContact OG1-NZ 3.08Å; T568-L778 HydrophobicContact CG2-CD2 4.06Å |
| 569 | A | 89.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -53.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | F564 E565 G566 Y571 K572 F573 L778 | F564-A569 HydrophobicContact CE2-CB 3.84Å; F564-A569 HydrophobicContact CZ-CB 3.7Å; E565-A569 PolarHBondContact O-N 3.39Å; G566-A569 PolarHBondContact O-N 3.48Å; A569-Y571 VanDerWaalsContact C-N 3.34Å; A569-Y571 PolarHBondContact O-N 3.21Å; A569-K572 PolarHBondContact O-N 2.88Å; A569-K572 VanDerWaalsContact O-N 3.15Å; A569-F573 HydrophobicContact CB-CE2 4.22Å; A569-F573 HydrophobicContact CB-CZ 4.18Å; A569-F573 WeakPolarHBondContact O-CD1 3.45Å; A569-F573 WeakPolarHBondContact O-CG 3.12Å; A569-F573 PolarHBondContact O-N 3.44Å; A569-L778 HydrophobicContact CB-CD1 4.03Å |
| 570 | L | 93.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 178.3 | -178.7 | 63 | 0 | 0 | 0 | 112 | I541 G566 K572 F573 L574 V649 I651 I725 L730 M738 V741 | I541-L570 HydrophobicContact CD1-CD2 4.31Å; I541-L570 HydrophobicContact CD1-CG 4.28Å; I541-L570 HydrophobicContact CG1-CD2 4.32Å; I541-L570 HydrophobicContact CG2-CD2 4.05Å; G566-L570 WeakPolarHBondContact O-CB 3.4Å; G566-L570 PolarHBondContact O-N 3.09Å; L570-K572 VanDerWaalsContact C-N 3.31Å; L570-K572 PolarHBondContact O-N 3.37Å; L570-F573 PolarHBondContact O-N 2.9Å; L570-L574 HydrophobicContact CD1-CD1 4.1Å; L570-L574 HydrophobicContact CD1-CG 4.11Å; L570-L574 HydrophobicContact CG-CD1 3.93Å; L570-L574 HydrophobicContact CG-CG 4.36Å; L570-L574 WeakPolarHBondContact O-CB 3.28Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.38Å; L570-V649 HydrophobicContact CD2-CG1 3.63Å; L570-I651 HydrophobicContact CB-CD1 3.79Å; L570-I651 HydrophobicContact CD2-CD1 3.65Å; L570-I651 HydrophobicContact CD2-CG1 4.12Å; L570-I651 HydrophobicContact CG-CD1 4.37Å; L570-I725 HydrophobicContact CD2-CD1 3.72Å; L570-L730 HydrophobicContact CB-CD2 3.95Å; L570-L730 HydrophobicContact CD1-CD1 4.48Å; L570-M738 HydrophobicContact CD1-CE 4.22Å; L570-M738 HydrophobicContact CD1-SD 3.51Å; L570-M738 VanDerWaalsContact CD1-SD 3.51Å; L570-V741 HydrophobicContact CD1-CG1 4.46Å; L570-V741 HydrophobicContact CD1-CG2 4.45Å |
| 571 | Y | 93.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.6 | 178.4 | -110.8 | 0 | 0 | 0 | 112 | I541 T567 T568 A569 Q575 G582 S583 E591 I623 K625 | I541-Y571 HydrophobicContact CD1-CD2 4.14Å; T567-Y571 VanDerWaalsContact O-CB 3.25Å; T567-Y571 WeakPolarHBondContact O-CB 3.39Å; T567-Y571 PolarHBondContact O-N 2.82Å; T568-Y571 PolarHBondContact O-N 2.94Å; A569-Y571 VanDerWaalsContact C-N 3.34Å; A569-Y571 PolarHBondContact O-N 3.21Å; Y571-Q575 VanDerWaalsContact O-CG 3.31Å; Y571-Q575 WeakPolarHBondContact O-CG 3.5Å; Y571-Q575 PolarHBondContact O-N 2.8Å; Y571-Q575 PolarHBondContact OH-NE2 3.33Å; Y571-G582 VanDerWaalsContact OH-CA 3.28Å; Y571-G582 WeakPolarHBondContact OH-CA 3.08Å; Y571-S583 PolarHBondContact OH-N 2.75Å; Y571-S583 VanDerWaalsContact OH-N 3.11Å; Y571-S583 PolarHBondContact OH-O 3.4Å; Y571-S583 PolarHBondContact OH-OG 3.16Å; Y571-E591 HydrophobicContact CE1-CB 4.16Å; Y571-I623 HydrophobicContact CD2-CD1 3.69Å; Y571-I623 HydrophobicContact CD2-CG1 4.05Å; Y571-I623 HydrophobicContact CE2-CD1 4.01Å; Y571-I623 HydrophobicContact CE2-CG1 3.88Å; Y571-K625 HydrophobicContact CD1-CB 4.49Å; Y571-K625 HydrophobicContact CD2-CB 3.66Å; Y571-K625 HydrophobicContact CE2-CB 4.23Å; Y571-K625 HydrophobicContact CG-CB 3.8Å; Y571-K625 HydrophobicContact CG-CG 4.49Å |
| 572 | K | 92.1 | Very high | 87.2 | Confident | 62 Ų | 62 | 20.4 Ų | 20.4 | 27% | 0.27 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -71 | -37.4 | 177.4 | -71.4 | -65.5 | -179.2 | -174.1 | 0 | 113 | T568 A569 L570 Q575 L768 L778 | T568-K572 WeakPolarHBondContact O-CG 3.44Å; T568-K572 PolarHBondContact O-N 3.38Å; A569-K572 PolarHBondContact O-N 2.88Å; A569-K572 VanDerWaalsContact O-N 3.15Å; L570-K572 VanDerWaalsContact C-N 3.31Å; L570-K572 PolarHBondContact O-N 3.37Å; K572-Q575 PolarHBondContact O-N 2.81Å; K572-L768 HydrophobicContact CB-CD1 4.43Å; K572-L778 HydrophobicContact CB-CD2 4.36Å; K572-L778 HydrophobicContact CG-CD2 3.91Å |
| 573 | F | 94.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 175.8 | -61.8 | -12 | 0 | 0 | 0 | 110 | A569 L570 Q575 L576 L730 P734 M738 Y753 L757 L768 | A569-F573 HydrophobicContact CB-CE2 4.22Å; A569-F573 HydrophobicContact CB-CZ 4.18Å; A569-F573 WeakPolarHBondContact O-CD1 3.45Å; A569-F573 WeakPolarHBondContact O-CG 3.12Å; A569-F573 PolarHBondContact O-N 3.44Å; L570-F573 PolarHBondContact O-N 2.9Å; F573-Q575 PolarHBondContact O-N 3.49Å; F573-L576 WeakPolarHBondContact O-CB 3.23Å; F573-L576 WeakPolarHBondContact O-CG 3.28Å; F573-L576 PolarHBondContact O-N 2.83Å; F573-L730 HydrophobicContact CD2-CD1 4.23Å; F573-L730 HydrophobicContact CE2-CD1 4.3Å; F573-P734 HydrophobicContact CE2-CB 4.15Å; F573-M738 HydrophobicContact CB-CE 3.74Å; F573-M738 HydrophobicContact CB-SD 3.82Å; F573-M738 HydrophobicContact CD2-CG 4.45Å; F573-M738 HydrophobicContact CD2-SD 4.1Å; F573-M738 HydrophobicContact CG-SD 4.5Å; F573-Y753 HydrophobicContact CB-CE1 4.15Å; F573-Y753 VanDerWaalsContact O-CE1 3.24Å; F573-Y753 WeakPolarHBondContact O-CE1 3.37Å; F573-Y753 PolarHBondContact O-OH 2.74Å; F573-L757 HydrophobicContact CD1-CD1 4.22Å; F573-L757 HydrophobicContact CD1-CD2 3.46Å; F573-L757 VanDerWaalsContact CD1-CD2 3.46Å; F573-L757 HydrophobicContact CD2-CD1 3.9Å; F573-L757 HydrophobicContact CE1-CD1 4.26Å; F573-L757 HydrophobicContact CE1-CD2 3.53Å; F573-L757 HydrophobicContact CE2-CD1 3.94Å; F573-L757 HydrophobicContact CG-CD1 4.05Å; F573-L757 HydrophobicContact CG-CD2 4.06Å; F573-L757 HydrophobicContact CZ-CD1 4.12Å; F573-L757 HydrophobicContact CZ-CD2 4.16Å; F573-L768 HydrophobicContact CD1-CD1 4.31Å; F573-L768 HydrophobicContact CE1-CD1 4.14Å |
| 574 | L | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.2 | -35.7 | 177.7 | -73.6 | 171.8 | 0 | 0 | 0 | 112.9 | I541 L570 L576 H577 V580 I623 M738 V741 L745 L747 | I541-L574 HydrophobicContact CD1-CD1 3.83Å; L570-L574 HydrophobicContact CD1-CD1 4.1Å; L570-L574 HydrophobicContact CD1-CG 4.11Å; L570-L574 HydrophobicContact CG-CD1 3.93Å; L570-L574 HydrophobicContact CG-CG 4.36Å; L570-L574 WeakPolarHBondContact O-CB 3.28Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.38Å; L574-L576 PolarHBondContact O-N 2.9Å; L574-H577 VanDerWaalsContact O-CB 3.27Å; L574-H577 WeakPolarHBondContact O-CB 3.31Å; L574-H577 PolarHBondContact O-N 3.29Å; L574-V580 HydrophobicContact CB-CG1 4.19Å; L574-V580 WeakPolarHBondContact O-CB 3.41Å; L574-V580 WeakPolarHBondContact O-CG1 3.1Å; L574-I623 HydrophobicContact CB-CD1 3.75Å; L574-I623 HydrophobicContact CD1-CD1 4.06Å; L574-M738 HydrophobicContact CD2-CE 3.63Å; L574-M738 HydrophobicContact CG-CE 3.9Å; L574-V741 HydrophobicContact CD1-CG1 4.24Å; L574-V741 HydrophobicContact CD2-CG1 3.81Å; L574-L745 HydrophobicContact CD1-CD1 4.01Å; L574-L745 HydrophobicContact CD2-CD1 4.02Å; L574-L747 HydrophobicContact CD2-CD1 4.13Å |
| 575 | Q | 93.7 | Very high | 91.4 | Very high | 62 Ų | 62 | 30.7 Ų | 30.7 | 29% | 0.29 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.2 | 175.7 | -75.9 | -178.5 | -9.7 | 0 | 0 | 115 | Y571 K572 F573 H577 | Y571-Q575 VanDerWaalsContact O-CG 3.31Å; Y571-Q575 WeakPolarHBondContact O-CG 3.5Å; Y571-Q575 PolarHBondContact O-N 2.8Å; Y571-Q575 PolarHBondContact OH-NE2 3.33Å; K572-Q575 PolarHBondContact O-N 2.81Å; F573-Q575 PolarHBondContact O-N 3.49Å; Q575-H577 PolarHBondContact O-N 2.63Å |
| 576 | L | 93.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 31 Ų | 31 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -22.3 | 170 | -64.9 | 169.2 | 0 | 0 | 0 | 111.7 | F573 L574 Y753 L756 L757 L768 | F573-L576 WeakPolarHBondContact O-CB 3.23Å; F573-L576 WeakPolarHBondContact O-CG 3.28Å; F573-L576 PolarHBondContact O-N 2.83Å; L574-L576 PolarHBondContact O-N 2.9Å; L576-Y753 HydrophobicContact CB-CE1 4.21Å; L576-Y753 HydrophobicContact CD1-CD1 4.32Å; L576-Y753 HydrophobicContact CD1-CE1 4.12Å; L576-L756 HydrophobicContact CB-CD1 4.27Å; L576-L756 HydrophobicContact CD1-CB 4.01Å; L576-L757 HydrophobicContact CD1-CD2 3.78Å; L576-L768 HydrophobicContact CD1-CD2 4.49Å; L576-L768 HydrophobicContact CD1-CG 4.26Å; L576-L768 HydrophobicContact CD2-CD2 3.88Å; L576-L768 HydrophobicContact CD2-CG 4.36Å; L576-L768 HydrophobicContact CG-CD2 4.29Å |
| 577 | H | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -72.7 | 127.7 | 177.5 | -168.5 | -74.1 | 0 | 0 | 0 | 111 | L574 Q575 A579 V580 Q742 P749 I751 | L574-H577 VanDerWaalsContact O-CB 3.27Å; L574-H577 WeakPolarHBondContact O-CB 3.31Å; L574-H577 PolarHBondContact O-N 3.29Å; Q575-H577 PolarHBondContact O-N 2.63Å; H577-A579 WeakPolarHBondContact ND1-CB 3.3Å; H577-A579 PolarHBondContact ND1-N 3.47Å; H577-A579 VanDerWaalsContact ND1-N 3.14Å; H577-A579 PolarHBondContact O-N 3.33Å; H577-A579 VanDerWaalsContact O-N 3.08Å; H577-V580 HydrophobicContact CB-CB 4.15Å; H577-V580 HydrophobicContact CB-CG2 3.78Å; H577-V580 PolarHBondContact O-N 3.41Å; H577-Q742 PolarHBondContact CD2-OE1 3.26Å; H577-P749 PolarHBondContact NE2-O 2.91Å; H577-I751 HydrophobicContact CB-CD1 3.94Å |
| 578 | P | 93.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 64% | 0.643 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.4 | -172.5 | 23.9 | -34.7 | 0 | 0 | 0 | 114.2 | ||
| 579 | A | 95 | Very high | 92.3 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H577 E620 V621 | H577-A579 WeakPolarHBondContact ND1-CB 3.3Å; H577-A579 PolarHBondContact ND1-N 3.47Å; H577-A579 VanDerWaalsContact ND1-N 3.14Å; H577-A579 PolarHBondContact O-N 3.33Å; H577-A579 VanDerWaalsContact O-N 3.08Å; A579-E620 CarbonylContact O-C 3.48Å; A579-E620 VanDerWaalsContact O-CA 3.29Å; A579-E620 WeakPolarHBondContact O-CA 3.35Å; A579-V621 PolarHBondContact O-N 3.09Å |
| 580 | V | 96.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.3 | -175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L574 H577 V621 I623 L747 | L574-V580 HydrophobicContact CB-CG1 4.19Å; L574-V580 WeakPolarHBondContact O-CB 3.41Å; L574-V580 WeakPolarHBondContact O-CG1 3.1Å; H577-V580 HydrophobicContact CB-CB 4.15Å; H577-V580 HydrophobicContact CB-CG2 3.78Å; H577-V580 PolarHBondContact O-N 3.41Å; V580-V621 WeakPolarHBondContact CA-O 3.19Å; V580-V621 HydrophobicContact CG2-CB 4.41Å; V580-I623 HydrophobicContact CG1-CD1 3.55Å; V580-I623 HydrophobicContact CG1-CG1 3.82Å; V580-I623 HydrophobicContact CG1-CG2 4.29Å; V580-L747 HydrophobicContact CG2-CD1 3.67Å; V580-L747 HydrophobicContact CG2-CD2 3.55Å; V580-L747 HydrophobicContact CG2-CG 4.3Å |
| 581 | R | 95.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 28% | 0.275 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.9 | 173.3 | -59.6 | 176.5 | 67.7 | -164.8 | 0 | 110.1 | P613 E620 V621 L622 I623 | R581-P613 HydrophobicContact CB-CG 4.33Å; R581-P613 VanDerWaalsContact CZ-CB 3.44Å; R581-P613 VanDerWaalsContact CZ-CG 3.4Å; R581-E620 IonicContact NH1-OE2 3.66Å; R581-V621 PolarHBondContact N-O 2.97Å; R581-L622 HydrophobicContact CB-CD2 3.86Å; R581-L622 VanDerWaalsContact O-CA 3.31Å; R581-L622 WeakPolarHBondContact O-CA 3.49Å; R581-I623 PolarHBondContact O-N 3.14Å |
| 582 | G | 94.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y571 I623 | Y571-G582 VanDerWaalsContact OH-CA 3.28Å; Y571-G582 WeakPolarHBondContact OH-CA 3.08Å; G582-I623 WeakPolarHBondContact CA-O 3.46Å |
| 583 | S | 94.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.8 | 165.9 | 53 | 0 | 0 | 0 | 0 | 111.9 | Y571 Y611 I623 | Y571-S583 PolarHBondContact OH-N 2.75Å; Y571-S583 VanDerWaalsContact OH-N 3.11Å; Y571-S583 PolarHBondContact OH-O 3.4Å; Y571-S583 PolarHBondContact OH-OG 3.16Å; S583-Y611 CarbonylContact C-O 3.31Å; S583-Y611 WeakPolarHBondContact CA-O 3.5Å; S583-I623 PolarHBondContact N-O 2.61Å |
| 584 | Q | 92.6 | Very high | 91.6 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.8 | 164.1 | -64.3 | 177.9 | 34.1 | 0 | 0 | 110 | H586 Y611 | Q584-H586 PolarHBondContact O-N 2.47Å; Q584-Y611 WeakPolarHBondContact CB-O 3.42Å; Q584-Y611 WeakPolarHBondContact CG-O 3.49Å; Q584-Y611 PolarHBondContact N-O 2.96Å |
| 585 | L | 89.8 | Confident | 91.6 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 60% | 0.597 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 127.9 | -179.6 | -61.6 | 177.2 | 0 | 0 | 0 | 110.6 | Y590 E591 | L585-Y590 CarbonylContact C-O 3.41Å; L585-Y590 WeakPolarHBondContact CA-O 3.21Å; L585-E591 HydrophobicContact CD2-CB 4.48Å |
| 586 | H | 88 | Confident | 91.8 | Very high | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 135.1 | 168.5 | -174.1 | -91 | 0 | 0 | 0 | 109.9 | Q584 R588 T589 Y590 Y611 | Q584-H586 PolarHBondContact O-N 2.47Å; H586-R588 PolarHBondContact ND1-N 2.89Å; H586-R588 VanDerWaalsContact ND1-N 3.16Å; H586-R588 PolarHBondContact O-N 2.84Å; H586-T589 VanDerWaalsContact CB-OG1 3.29Å; H586-T589 WeakPolarHBondContact CB-OG1 3.43Å; H586-T589 PolarHBondContact ND1-N 2.78Å; H586-T589 PolarHBondContact ND1-OG1 2.77Å; H586-T589 PolarHBondContact O-N 2.98Å; H586-Y590 PolarHBondContact N-O 3.11Å; H586-Y590 WeakPolarHBondContact O-CA 3.3Å; H586-Y590 PolarHBondContact O-N 2.94Å; H586-Y611 HydrophobicContact CB-CE1 4.19Å; H586-Y611 AromaticContact CD2-CE1 3.74Å; H586-Y611 AromaticContact CD2-CZ 3.57Å; H586-Y611 PolarHBondContact CD2-OH 3.05Å; H586-Y611 PolarHBondContact NE2-OH 3.2Å |
| 587 | P | 87.5 | Confident | 91.7 | Very high | 113 Ų | 113 | 53.1 Ų | 53.1 | 73% | 0.734 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.2 | -174.8 | -27.2 | 34.6 | 0 | 0 | 0 | 115.4 | ||
| 588 | R | 85 | Confident | 91.4 | Very high | 215 Ų | 215 | 55.3 Ų | 55.3 | 81% | 0.811 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -25 | -177.6 | -61.1 | -177.1 | -179.8 | 175.5 | -0.4 | 114.5 | H586 | H586-R588 PolarHBondContact ND1-N 2.89Å; H586-R588 VanDerWaalsContact ND1-N 3.16Å; H586-R588 PolarHBondContact O-N 2.84Å |
| 589 | T | 85.1 | Confident | 91.2 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 9 | -168.9 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | H586 E591 E592 | H586-T589 VanDerWaalsContact CB-OG1 3.29Å; H586-T589 WeakPolarHBondContact CB-OG1 3.43Å; H586-T589 PolarHBondContact ND1-N 2.78Å; H586-T589 PolarHBondContact ND1-OG1 2.77Å; H586-T589 PolarHBondContact O-N 2.98Å; T589-E591 PolarHBondContact O-N 2.87Å; T589-E592 VanDerWaalsContact CB-O 3.32Å; T589-E592 WeakPolarHBondContact CB-O 3.11Å; T589-E592 PolarHBondContact O-N 3.09Å; T589-E592 VanDerWaalsContact O-N 3.1Å; T589-E592 PolarHBondContact OG1-O 2.8Å |
| 590 | Y | 85.9 | Confident | 91.1 | Very high | 150 Ų | 150 | 62.7 Ų | 62.7 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | B | Isolated β-bridge | trans | 54 | -116.8 | 171.7 | -54.1 | -82.8 | 0 | 0 | 0 | 112.3 | L585 H586 E592 | L585-Y590 CarbonylContact C-O 3.41Å; L585-Y590 WeakPolarHBondContact CA-O 3.21Å; H586-Y590 PolarHBondContact N-O 3.11Å; H586-Y590 WeakPolarHBondContact O-CA 3.3Å; H586-Y590 PolarHBondContact O-N 2.94Å; Y590-E592 PolarHBondContact O-N 2.72Å |
| 591 | E | 85.9 | Confident | 91 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 16% | 0.159 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.4 | -177.4 | 69.1 | -84.2 | -166.8 | 0 | 0 | 114.2 | Y571 L585 T589 K625 K782 | Y571-E591 HydrophobicContact CE1-CB 4.16Å; L585-E591 HydrophobicContact CD2-CB 4.48Å; T589-E591 PolarHBondContact O-N 2.87Å; E591-K625 HydrophobicContact CG-CD 4.21Å; E591-K625 IonicContact OE1-NZ 3.88Å; E591-K782 IonicContact OE1-NZ 3.16Å |
| 592 | E | 90.4 | Very high | 90.9 | Very high | 23 Ų | 23 | 62 Ų | 62 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 118.2 | -179 | -54.2 | -161.9 | 154.8 | 0 | 0 | 111.8 | T589 Y590 Q594 K625 A627 T628 | T589-E592 VanDerWaalsContact CB-O 3.32Å; T589-E592 WeakPolarHBondContact CB-O 3.11Å; T589-E592 PolarHBondContact O-N 3.09Å; T589-E592 VanDerWaalsContact O-N 3.1Å; T589-E592 PolarHBondContact OG1-O 2.8Å; Y590-E592 PolarHBondContact O-N 2.72Å; E592-Q594 HydrophobicContact CB-CG 3.66Å; E592-Q594 PolarHBondContact OE2-NE2 3.4Å; E592-K625 WeakPolarHBondContact CA-O 3.29Å; E592-K625 HydrophobicContact CG-CD 4.02Å; E592-K625 WeakPolarHBondContact OE1-CE 3.42Å; E592-K625 IonicContact OE1-NZ 2.94Å; E592-K625 PolarHBondContact OE1-NZ 3.32Å; E592-A627 WeakPolarHBondContact OE1-CB 3.33Å; E592-A627 PolarHBondContact OE1-N 2.86Å; E592-A627 VanDerWaalsContact OE1-N 3.14Å; E592-T628 WeakPolarHBondContact OE2-CG2 3.41Å |
| 593 | V | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -72.1 | -35.9 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | F595 N600 Y608 Y611 E624 S626 | V593-F595 HydrophobicContact CG1-CB 3.94Å; V593-F595 PolarHBondContact O-N 2.88Å; V593-N600 PolarHBondContact O-ND2 3.14Å; V593-Y608 HydrophobicContact CG1-CD2 4.12Å; V593-Y608 HydrophobicContact CG1-CE2 4.24Å; V593-Y611 HydrophobicContact CG1-CD1 4.26Å; V593-Y611 HydrophobicContact CG1-CD2 3.46Å; V593-Y611 VanDerWaalsContact CG1-CD2 3.46Å; V593-Y611 HydrophobicContact CG1-CE1 4.49Å; V593-Y611 HydrophobicContact CG1-CE2 3.71Å; V593-Y611 HydrophobicContact CG1-CG 3.78Å; V593-Y611 HydrophobicContact CG2-CD1 4.26Å; V593-Y611 HydrophobicContact CG2-CG 4.06Å; V593-E624 HydrophobicContact CB-CG 4.39Å; V593-E624 HydrophobicContact CG2-CG 4.06Å; V593-S626 PolarHBondContact N-OG 3.26Å | ||
| 594 | Q | 93.2 | Very high | 90.8 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | trans | 51.8 | 28.5 | -179.5 | -52.8 | -174.1 | -6.2 | 0 | 0 | 113.8 | E592 S626 T628 Y629 | E592-Q594 HydrophobicContact CB-CG 3.66Å; E592-Q594 PolarHBondContact OE2-NE2 3.4Å; Q594-S626 PolarHBondContact N-OG 3.04Å; Q594-S626 VanDerWaalsContact N-OG 3.14Å; Q594-T628 HydrophobicContact CG-CG2 4.08Å; Q594-T628 VanDerWaalsContact NE2-CG2 3.33Å; Q594-Y629 VanDerWaalsContact C-OH 3.31Å; Q594-Y629 WeakPolarHBondContact CA-OH 3.17Å; Q594-Y629 PolarHBondContact N-OH 2.91Å | ||
| 595 | F | 96.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -46 | 179.8 | -178.6 | -108.2 | 0 | 0 | 0 | 113.1 | W514 V593 C597 N600 Y601 Y608 Y629 L642 | W514-F595 AromaticContact CD1-CZ 3.82Å; V593-F595 HydrophobicContact CG1-CB 3.94Å; V593-F595 PolarHBondContact O-N 2.88Å; F595-C597 VanDerWaalsContact C-N 3.26Å; F595-C597 PolarHBondContact O-N 3.32Å; F595-N600 WeakPolarHBondContact CD2-O 3.37Å; F595-N600 WeakPolarHBondContact CE2-O 3.46Å; F595-Y601 HydrophobicContact CD1-CD2 4.06Å; F595-Y601 AromaticContact CE1-CD2 3.66Å; F595-Y601 HydrophobicContact CE1-CD2 3.66Å; F595-Y601 AromaticContact CE1-CE2 3.88Å; F595-Y601 HydrophobicContact CE1-CE2 3.88Å; F595-Y601 HydrophobicContact CE2-CD2 4.47Å; F595-Y601 AromaticContact CZ-CD2 3.89Å; F595-Y601 HydrophobicContact CZ-CD2 3.89Å; F595-Y601 HydrophobicContact CZ-CE2 4.29Å; F595-Y601 WeakPolarHBondContact O-CA 3.11Å; F595-Y601 WeakPolarHBondContact O-CB 3.47Å; F595-Y601 PolarHBondContact O-N 2.89Å; F595-Y601 VanDerWaalsContact O-N 3.14Å; F595-Y608 HydrophobicContact CB-CD2 3.4Å; F595-Y608 VanDerWaalsContact CB-CD2 3.4Å; F595-Y608 HydrophobicContact CB-CE2 3.74Å; F595-Y608 HydrophobicContact CB-CG 4.3Å; F595-Y608 HydrophobicContact CD1-CD1 4.13Å; F595-Y608 AromaticContact CD1-CD2 3.49Å; F595-Y608 HydrophobicContact CD1-CD2 3.49Å; F595-Y608 VanDerWaalsContact CD1-CD2 3.49Å; F595-Y608 HydrophobicContact CD1-CE2 4Å; F595-Y608 AromaticContact CD1-CG 3.55Å; F595-Y608 HydrophobicContact CD1-CG 3.55Å; F595-Y608 AromaticContact CD2-CD2 3.99Å; F595-Y608 HydrophobicContact CD2-CD2 3.99Å; F595-Y608 HydrophobicContact CD2-CG 4.16Å; F595-Y608 HydrophobicContact CE1-CD1 4.23Å; F595-Y608 HydrophobicContact CE1-CD2 4.24Å; F595-Y608 AromaticContact CE1-CG 3.82Å; F595-Y608 HydrophobicContact CE1-CG 3.82Å; F595-Y608 HydrophobicContact CE2-CG 4.41Å; F595-Y608 AromaticContact CG-CD2 3.34Å; F595-Y608 HydrophobicContact CG-CD2 3.34Å; F595-Y608 HydrophobicContact CG-CE2 4.04Å; F595-Y608 AromaticContact CG-CG 3.73Å; F595-Y608 HydrophobicContact CG-CG 3.73Å; F595-Y608 HydrophobicContact CZ-CG 4.25Å; F595-Y629 PolarHBondContact N-OH 2.94Å; F595-L642 HydrophobicContact CE1-CD2 3.95Å |
| 596 | F | 97 | Very high | 91 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.2 | -173 | -63.1 | -69.9 | 0 | 0 | 0 | 114.4 | Y601 Y608 Y629 A635 R638 V639 L642 L643 | F596-Y601 HydrophobicContact CD1-CD2 4.41Å; F596-Y601 HydrophobicContact CD1-CE2 4.15Å; F596-Y608 HydrophobicContact CE2-CE1 4.2Å; F596-Y608 HydrophobicContact CE2-CE2 4.13Å; F596-Y608 AromaticContact CE2-CZ 3.64Å; F596-Y608 WeakPolarHBondContact CE2-OH 3.39Å; F596-Y608 AromaticContact CZ-CE1 3.89Å; F596-Y608 HydrophobicContact CZ-CE1 3.89Å; F596-Y608 HydrophobicContact CZ-CE2 4.49Å; F596-Y608 AromaticContact CZ-CZ 3.83Å; F596-Y629 HydrophobicContact CB-CD1 4.11Å; F596-Y629 HydrophobicContact CB-CE1 3.72Å; F596-Y629 HydrophobicContact CB-CE2 4.27Å; F596-Y629 HydrophobicContact CD2-CD2 4.28Å; F596-Y629 HydrophobicContact CD2-CE1 4.4Å; F596-Y629 AromaticContact CD2-CE2 3.55Å; F596-Y629 HydrophobicContact CD2-CE2 3.55Å; F596-Y629 AromaticContact CD2-CZ 3.62Å; F596-Y629 HydrophobicContact CE2-CE2 4.43Å; F596-Y629 HydrophobicContact CG-CE2 4.39Å; F596-Y629 PolarHBondContact N-OH 3.03Å; F596-A635 HydrophobicContact CB-CB 4.31Å; F596-R638 HydrophobicContact CB-CB 4.45Å; F596-R638 HydrophobicContact CD1-CB 3.72Å; F596-R638 WeakPolarHBondContact O-CD 3.43Å; F596-R638 PolarHBondContact O-NH1 2.88Å; F596-V639 HydrophobicContact CB-CG2 4.03Å; F596-V639 HydrophobicContact CD1-CG2 3.94Å; F596-V639 HydrophobicContact CD2-CG2 3.46Å; F596-V639 VanDerWaalsContact CD2-CG2 3.46Å; F596-V639 HydrophobicContact CE1-CG2 4.23Å; F596-V639 HydrophobicContact CE2-CG2 3.8Å; F596-V639 HydrophobicContact CG-CG2 3.53Å; F596-V639 HydrophobicContact CZ-CG2 4.16Å; F596-L642 HydrophobicContact CE1-CB 4.1Å; F596-L642 HydrophobicContact CE1-CD2 3.91Å; F596-L642 HydrophobicContact CZ-CB 4.44Å; F596-L642 HydrophobicContact CZ-CD2 4.01Å; F596-L643 HydrophobicContact CE2-CD1 3.98Å; F596-L643 HydrophobicContact CZ-CD1 3.72Å; F596-L643 HydrophobicContact CZ-CG 4.16Å |
| 597 | C | 91.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 58 Ų | 58 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -122.8 | 128.6 | 178.7 | -158.4 | 0 | 0 | 0 | 0 | 111.4 | F595 Y629 C632 | F595-C597 VanDerWaalsContact C-N 3.26Å; F595-C597 PolarHBondContact O-N 3.32Å; C597-Y629 HydrophobicContact CB-CD1 3.96Å; C597-Y629 HydrophobicContact CB-CE1 4.19Å; C597-C632 HydrophobicContact CB-CB 3.89Å; C597-C632 WeakPolarHBondContact CB-SG 3.22Å; C597-C632 WeakPolarHBondContact SG-CB 3.45Å; C597-C632 CovalentContact SG-SG 2.06Å; C597-C632 PolarHBondContact SG-SG 3.5Å |
| 598 | G | 88.4 | Confident | 91.6 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 78.2 | -148.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y601 | G598-Y601 WeakPolarHBondContact O-CB 3.42Š|
| 599 | R | 90.1 | Very high | 92 | Very high | 223 Ų | 223 | 42.4 Ų | 42.4 | 84% | 0.842 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -78.7 | -28.1 | -165.8 | -66 | -176.4 | -178.8 | 178 | 0.5 | 114.6 | Y601 L602 | R599-Y601 PolarHBondContact O-N 2.67Å; R599-L602 PolarHBondContact O-N 3.4Å |
| 600 | N | 92.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 45 Ų | 45 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -55.5 | -28.1 | 179.3 | -73.6 | -1.9 | 0 | 0 | 0 | 112.1 | V593 F595 L602 N603 | V593-N600 PolarHBondContact O-ND2 3.14Å; F595-N600 WeakPolarHBondContact CD2-O 3.37Å; F595-N600 WeakPolarHBondContact CE2-O 3.46Å; N600-L602 PolarHBondContact O-N 3.42Å; N600-N603 WeakPolarHBondContact O-CB 3.4Å; N600-N603 PolarHBondContact O-N 3.29Å; N600-N603 VanDerWaalsContact O-N 3.11Å |
| 601 | Y | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -56.4 | -32.4 | 176.1 | -166.2 | -120.9 | 0 | 0 | 0 | 114.3 | P512 V513 W514 F595 F596 G598 R599 N603 G604 R638 | P512-Y601 WeakPolarHBondContact O-CE1 3.34Å; P512-Y601 PolarHBondContact O-OH 2.67Å; V513-Y601 WeakPolarHBondContact CA-OH 3.42Å; W514-Y601 AromaticContact CD1-CD2 3.93Å; W514-Y601 AromaticContact CD1-CE2 3.33Å; W514-Y601 AromaticContact CD1-CZ 3.38Å; W514-Y601 HydrophobicContact CG-CE2 4.3Å; W514-Y601 PolarHBondContact N-OH 3.23Å; W514-Y601 AromaticContact NE1-CE2 3.98Å; W514-Y601 AromaticContact NE1-CZ 3.89Å; W514-Y601 PolarHBondContact NE1-O 2.81Å; F595-Y601 HydrophobicContact CD1-CD2 4.06Å; F595-Y601 AromaticContact CE1-CD2 3.66Å; F595-Y601 HydrophobicContact CE1-CD2 3.66Å; F595-Y601 AromaticContact CE1-CE2 3.88Å; F595-Y601 HydrophobicContact CE1-CE2 3.88Å; F595-Y601 HydrophobicContact CE2-CD2 4.47Å; F595-Y601 AromaticContact CZ-CD2 3.89Å; F595-Y601 HydrophobicContact CZ-CD2 3.89Å; F595-Y601 HydrophobicContact CZ-CE2 4.29Å; F595-Y601 WeakPolarHBondContact O-CA 3.11Å; F595-Y601 WeakPolarHBondContact O-CB 3.47Å; F595-Y601 PolarHBondContact O-N 2.89Å; F595-Y601 VanDerWaalsContact O-N 3.14Å; F596-Y601 HydrophobicContact CD1-CD2 4.41Å; F596-Y601 HydrophobicContact CD1-CE2 4.15Å; G598-Y601 WeakPolarHBondContact O-CB 3.42Å; R599-Y601 PolarHBondContact O-N 2.67Å; Y601-N603 PolarHBondContact O-N 3.27Å; Y601-G604 PolarHBondContact O-N 3.07Å; Y601-R638 HydrophobicContact CE1-CG 3.92Å; Y601-R638 HydrophobicContact CE2-CB 3.81Å; Y601-R638 HydrophobicContact CE2-CG 3.87Å |
| 602 | L | 93.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -78.3 | -5.8 | -178.4 | -60.5 | 180 | 0 | 0 | 0 | 113.1 | Y407 P512 R599 N600 G604 | Y407-L602 VanDerWaalsContact CE2-O 3.3Å; Y407-L602 WeakPolarHBondContact CE2-O 3.33Å; P512-L602 HydrophobicContact CG-CD2 4.34Å; R599-L602 PolarHBondContact O-N 3.4Å; N600-L602 PolarHBondContact O-N 3.42Å; L602-G604 PolarHBondContact O-N 3.47Å |
| 603 | N | 92.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -74.8 | -8.5 | 173.5 | -60.4 | -19 | 0 | 0 | 0 | 112.6 | N600 Y601 S607 | N600-N603 WeakPolarHBondContact O-CB 3.4Å; N600-N603 PolarHBondContact O-N 3.29Å; N600-N603 VanDerWaalsContact O-N 3.11Å; Y601-N603 PolarHBondContact O-N 3.27Å; N603-S607 WeakPolarHBondContact CB-OG 3.11Å; N603-S607 VanDerWaalsContact O-CB 3.27Å; N603-S607 WeakPolarHBondContact O-CB 3.3Å |
| 604 | G | 92.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | 82.4 | 172.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y601 L602 N606 S607 Y608 | Y601-G604 PolarHBondContact O-N 3.07Å; L602-G604 PolarHBondContact O-N 3.47Å; G604-N606 PolarHBondContact O-N 3.14Å; G604-S607 PolarHBondContact O-N 3.44Å; G604-Y608 PolarHBondContact O-N 3.23Å |
| 605 | I | 94.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | -171.1 | -62.5 | 170.7 | 0 | 0 | 0 | 112.2 | W514 P517 L527 L532 F536 S607 Y608 A609 L642 | W514-I605 HydrophobicContact CB-CD1 4.02Å; W514-I605 HydrophobicContact CB-CG1 3.77Å; W514-I605 HydrophobicContact CD2-CD1 4.42Å; W514-I605 HydrophobicContact CD2-CG1 4.04Å; W514-I605 HydrophobicContact CE3-CD1 4.13Å; W514-I605 HydrophobicContact CE3-CG1 4.2Å; W514-I605 HydrophobicContact CG-CD1 4.39Å; W514-I605 HydrophobicContact CG-CG1 3.84Å; P517-I605 HydrophobicContact CG-CG2 4.32Å; L527-I605 HydrophobicContact CD1-CB 4.47Å; L527-I605 HydrophobicContact CD1-CD1 4.16Å; L527-I605 HydrophobicContact CD1-CG2 4.19Å; L532-I605 HydrophobicContact CD1-CG2 4.46Å; L532-I605 HydrophobicContact CD2-CG2 4.32Å; F536-I605 HydrophobicContact CE1-CG2 3.98Å; F536-I605 HydrophobicContact CZ-CG2 3.6Å; I605-S607 VanDerWaalsContact C-N 3.35Å; I605-S607 PolarHBondContact O-N 3.21Å; I605-Y608 PolarHBondContact O-N 3.4Å; I605-A609 PolarHBondContact O-N 2.98Å; I605-L642 HydrophobicContact CD1-CD1 4.38Å; I605-L642 HydrophobicContact CG1-CD1 4.2Å; I605-L642 HydrophobicContact CG2-CD1 4.25Å |
| 606 | N | 92.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -40.2 | -179.2 | -75.3 | -24.7 | 0 | 0 | 0 | 111.8 | L532 G604 Y608 A609 N610 | L532-N606 WeakPolarHBondContact CD1-OD1 3.37Å; G604-N606 PolarHBondContact O-N 3.14Å; N606-Y608 VanDerWaalsContact C-N 3.31Å; N606-Y608 PolarHBondContact O-N 3.25Å; N606-A609 PolarHBondContact O-N 3.03Å; N606-N610 WeakPolarHBondContact O-CB 3.47Å; N606-N610 PolarHBondContact O-N 2.56Å; N606-N610 PolarHBondContact O-ND2 3.14Å |
| 607 | S | 92.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | N603 G604 I605 N610 Y611 | N603-S607 WeakPolarHBondContact CB-OG 3.11Å; N603-S607 VanDerWaalsContact O-CB 3.27Å; N603-S607 WeakPolarHBondContact O-CB 3.3Å; G604-S607 PolarHBondContact O-N 3.44Å; I605-S607 VanDerWaalsContact C-N 3.35Å; I605-S607 PolarHBondContact O-N 3.21Å; S607-N610 PolarHBondContact O-N 3.01Å; S607-Y611 VanDerWaalsContact O-CD2 3.27Å; S607-Y611 WeakPolarHBondContact O-CD2 3.42Å; S607-Y611 WeakPolarHBondContact O-CE2 3.42Å |
| 608 | Y | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 177 | 178.9 | -120.3 | 0 | 0 | 0 | 112.3 | F536 P537 V593 F595 F596 G604 I605 N606 N610 Y611 F612 E624 L642 L643 | F536-Y608 HydrophobicContact CD1-CD1 4.12Å; F536-Y608 HydrophobicContact CD1-CE1 4.15Å; F536-Y608 HydrophobicContact CE1-CD1 4.12Å; P537-Y608 VanDerWaalsContact CG-OH 3.23Å; P537-Y608 WeakPolarHBondContact CG-OH 3.32Å; V593-Y608 HydrophobicContact CG1-CD2 4.12Å; V593-Y608 HydrophobicContact CG1-CE2 4.24Å; F595-Y608 HydrophobicContact CB-CD2 3.4Å; F595-Y608 VanDerWaalsContact CB-CD2 3.4Å; F595-Y608 HydrophobicContact CB-CE2 3.74Å; F595-Y608 HydrophobicContact CB-CG 4.3Å; F595-Y608 HydrophobicContact CD1-CD1 4.13Å; F595-Y608 AromaticContact CD1-CD2 3.49Å; F595-Y608 HydrophobicContact CD1-CD2 3.49Å; F595-Y608 VanDerWaalsContact CD1-CD2 3.49Å; F595-Y608 HydrophobicContact CD1-CE2 4Å; F595-Y608 AromaticContact CD1-CG 3.55Å; F595-Y608 HydrophobicContact CD1-CG 3.55Å; F595-Y608 AromaticContact CD2-CD2 3.99Å; F595-Y608 HydrophobicContact CD2-CD2 3.99Å; F595-Y608 HydrophobicContact CD2-CG 4.16Å; F595-Y608 HydrophobicContact CE1-CD1 4.23Å; F595-Y608 HydrophobicContact CE1-CD2 4.24Å; F595-Y608 AromaticContact CE1-CG 3.82Å; F595-Y608 HydrophobicContact CE1-CG 3.82Å; F595-Y608 HydrophobicContact CE2-CG 4.41Å; F595-Y608 AromaticContact CG-CD2 3.34Å; F595-Y608 HydrophobicContact CG-CD2 3.34Å; F595-Y608 HydrophobicContact CG-CE2 4.04Å; F595-Y608 AromaticContact CG-CG 3.73Å; F595-Y608 HydrophobicContact CG-CG 3.73Å; F595-Y608 HydrophobicContact CZ-CG 4.25Å; F596-Y608 HydrophobicContact CE2-CE1 4.2Å; F596-Y608 HydrophobicContact CE2-CE2 4.13Å; F596-Y608 AromaticContact CE2-CZ 3.64Å; F596-Y608 WeakPolarHBondContact CE2-OH 3.39Å; F596-Y608 AromaticContact CZ-CE1 3.89Å; F596-Y608 HydrophobicContact CZ-CE1 3.89Å; F596-Y608 HydrophobicContact CZ-CE2 4.49Å; F596-Y608 AromaticContact CZ-CZ 3.83Å; G604-Y608 PolarHBondContact O-N 3.23Å; I605-Y608 PolarHBondContact O-N 3.4Å; N606-Y608 VanDerWaalsContact C-N 3.31Å; N606-Y608 PolarHBondContact O-N 3.25Å; Y608-N610 PolarHBondContact O-N 3.5Å; Y608-Y611 WeakPolarHBondContact O-CD2 3.46Å; Y608-Y611 PolarHBondContact O-N 3.06Å; Y608-Y611 VanDerWaalsContact O-N 3.13Å; Y608-F612 HydrophobicContact CD2-CE2 4.18Å; Y608-F612 HydrophobicContact CE1-CE2 4.21Å; Y608-F612 AromaticContact CE2-CE2 3.7Å; Y608-F612 HydrophobicContact CE2-CE2 3.7Å; Y608-F612 HydrophobicContact CE2-CZ 4.14Å; Y608-F612 AromaticContact CZ-CE2 3.71Å; Y608-F612 WeakPolarHBondContact O-CD2 3.42Å; Y608-E624 WeakPolarHBondContact CE2-OE2 3.43Å; Y608-E624 VanDerWaalsContact CZ-OE2 3.28Å; Y608-E624 PolarHBondContact OH-OE2 3.26Å; Y608-L642 HydrophobicContact CD1-CD2 3.67Å; Y608-L642 HydrophobicContact CE1-CD2 3.99Å; Y608-L643 HydrophobicContact CE1-CD1 4.25Å |
| 609 | A | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -29.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L532 R535 F536 I605 N606 Y611 F612 | L532-A609 HydrophobicContact CD1-CB 3.45Å; L532-A609 VanDerWaalsContact CD1-CB 3.45Å; R535-A609 HydrophobicContact CB-CB 4.14Å; F536-A609 HydrophobicContact CD1-CB 4.48Å; F536-A609 HydrophobicContact CE1-CB 4.05Å; I605-A609 PolarHBondContact O-N 2.98Å; N606-A609 PolarHBondContact O-N 3.03Å; A609-Y611 PolarHBondContact O-N 3.35Å; A609-F612 PolarHBondContact O-N 3.33Å |
| 610 | N | 93.7 | Very high | 92.8 | Very high | 90 Ų | 90 | 52 Ų | 52 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.6 | 178.9 | -76.6 | -20.2 | 0 | 0 | 0 | 114.3 | N606 S607 Y608 F612 | N606-N610 WeakPolarHBondContact O-CB 3.47Å; N606-N610 PolarHBondContact O-N 2.56Å; N606-N610 PolarHBondContact O-ND2 3.14Å; S607-N610 PolarHBondContact O-N 3.01Å; Y608-N610 PolarHBondContact O-N 3.5Å; N610-F612 PolarHBondContact O-N 3.15Å |
| 611 | Y | 95.7 | Very high | 93 | Very high | 37 Ų | 37 | 51 Ų | 51 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.6 | 170.8 | -72.6 | -75.7 | 0 | 0 | 0 | 112.7 | S583 Q584 H586 V593 S607 Y608 A609 | S583-Y611 CarbonylContact C-O 3.31Å; S583-Y611 WeakPolarHBondContact CA-O 3.5Å; Q584-Y611 WeakPolarHBondContact CB-O 3.42Å; Q584-Y611 WeakPolarHBondContact CG-O 3.49Å; Q584-Y611 PolarHBondContact N-O 2.96Å; H586-Y611 HydrophobicContact CB-CE1 4.19Å; H586-Y611 AromaticContact CD2-CE1 3.74Å; H586-Y611 AromaticContact CD2-CZ 3.57Å; H586-Y611 PolarHBondContact CD2-OH 3.05Å; H586-Y611 PolarHBondContact NE2-OH 3.2Å; V593-Y611 HydrophobicContact CG1-CD1 4.26Å; V593-Y611 HydrophobicContact CG1-CD2 3.46Å; V593-Y611 VanDerWaalsContact CG1-CD2 3.46Å; V593-Y611 HydrophobicContact CG1-CE1 4.49Å; V593-Y611 HydrophobicContact CG1-CE2 3.71Å; V593-Y611 HydrophobicContact CG1-CG 3.78Å; V593-Y611 HydrophobicContact CG2-CD1 4.26Å; V593-Y611 HydrophobicContact CG2-CG 4.06Å; S607-Y611 VanDerWaalsContact O-CD2 3.27Å; S607-Y611 WeakPolarHBondContact O-CD2 3.42Å; S607-Y611 WeakPolarHBondContact O-CE2 3.42Å; Y608-Y611 WeakPolarHBondContact O-CD2 3.46Å; Y608-Y611 PolarHBondContact O-N 3.06Å; Y608-Y611 VanDerWaalsContact O-N 3.13Å; A609-Y611 PolarHBondContact O-N 3.35Å |
| 612 | F | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -112.3 | 141.9 | -174.4 | -58.7 | -87 | 0 | 0 | 0 | 111.3 | R535 P537 Y608 A609 N610 L622 E624 | R535-F612 HydrophobicContact CB-CB 4.24Å; R535-F612 PolarHBondContact NH1-O 2.88Å; R535-F612 WeakPolarHBondContact O-CB 3.42Å; R535-F612 WeakPolarHBondContact O-CG 3.44Å; P537-F612 HydrophobicContact CB-CD1 4.44Å; P537-F612 HydrophobicContact CB-CE1 3.85Å; P537-F612 HydrophobicContact CB-CZ 4.11Å; P537-F612 HydrophobicContact CG-CE1 4.02Å; P537-F612 HydrophobicContact CG-CE2 4.27Å; P537-F612 HydrophobicContact CG-CZ 3.74Å; Y608-F612 HydrophobicContact CD2-CE2 4.18Å; Y608-F612 HydrophobicContact CE1-CE2 4.21Å; Y608-F612 AromaticContact CE2-CE2 3.7Å; Y608-F612 HydrophobicContact CE2-CE2 3.7Å; Y608-F612 HydrophobicContact CE2-CZ 4.14Å; Y608-F612 AromaticContact CZ-CE2 3.71Å; Y608-F612 WeakPolarHBondContact O-CD2 3.42Å; A609-F612 PolarHBondContact O-N 3.33Å; N610-F612 PolarHBondContact O-N 3.15Å; F612-L622 HydrophobicContact CB-CD1 4.21Å; F612-E624 HydrophobicContact CE1-CB 4.1Å; F612-E624 HydrophobicContact CZ-CB 3.93Å; F612-E624 HydrophobicContact CZ-CG 4.11Å |
| 613 | P | 93.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 155.5 | 171.8 | 31.9 | -34.8 | 0 | 0 | 0 | 110.5 | R581 R615 L622 | R581-P613 HydrophobicContact CB-CG 4.33Å; R581-P613 VanDerWaalsContact CZ-CB 3.44Å; R581-P613 VanDerWaalsContact CZ-CG 3.4Å; P613-R615 PolarHBondContact O-N 2.96Å; P613-L622 HydrophobicContact CG-CD2 4.01Å |
| 614 | V | 93.8 | Very high | 93.6 | Very high | 32 Ų | 32 | 44 Ų | 44 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 129.8 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | K531 Q534 R535 R616 | K531-V614 HydrophobicContact CB-CG1 4.1Å; K531-V614 HydrophobicContact CB-CG2 3.94Å; K531-V614 HydrophobicContact CD-CG1 3.81Å; K531-V614 HydrophobicContact CD-CG2 4Å; K531-V614 HydrophobicContact CG-CG1 4.22Å; Q534-V614 HydrophobicContact CB-CG1 4.14Å; Q534-V614 VanDerWaalsContact OE1-CG1 3.26Å; R535-V614 HydrophobicContact CG-CG2 4.04Å; V614-R616 PolarHBondContact O-N 2.93Å |
| 615 | R | 92.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 129.7 | 170.2 | -71.5 | 178.3 | -171.3 | 91.3 | -11.7 | 110.8 | Q534 F536 N538 P613 E620 L622 | Q534-R615 WeakPolarHBondContact O-CG 3.4Å; Q534-R615 PolarHBondContact O-N 3.06Å; Q534-R615 PolarHBondContact O-NH1 3.18Å; F536-R615 VanDerWaalsContact O-CZ 3.32Å; F536-R615 PolarHBondContact O-NH1 2.58Å; F536-R615 PolarHBondContact O-NH2 3.24Å; N538-R615 PolarHBondContact ND2-NH2 3.21Å; N538-R615 PolarHBondContact OD1-NE 3.2Å; N538-R615 PolarHBondContact OD1-NH2 2.84Å; P613-R615 PolarHBondContact O-N 2.96Å; R615-E620 VanDerWaalsContact CA-OE2 3.32Å; R615-E620 WeakPolarHBondContact CA-OE2 3.46Å; R615-E620 HydrophobicContact CB-CB 4.34Å; R615-E620 WeakPolarHBondContact CD-O 3.36Å; R615-E620 HydrophobicContact CG-CB 4.08Å; R615-E620 PolarHBondContact NE-O 3.12Å; R615-L622 HydrophobicContact CG-CD1 3.86Å; R615-L622 HydrophobicContact CG-CD2 4.29Å; R615-L622 HydrophobicContact CG-CG 3.86Å |
| 616 | R | 87.4 | Confident | 93.6 | Very high | 202 Ų | 202 | 43.8 Ų | 43.8 | 76% | 0.762 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -91.4 | -25.5 | 176.2 | -59.9 | 175.8 | 177.8 | 165 | -2.2 | 112.1 | V614 E620 | V614-R616 PolarHBondContact O-N 2.93Å; R616-E620 PolarHBondContact N-OE2 2.84Å |
| 617 | R | 89 | Confident | 93.5 | Very high | 145 Ų | 145 | 41.1 Ų | 41.1 | 55% | 0.547 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -131.5 | 148.9 | -178 | -51.5 | -177.5 | -176.1 | 104.8 | -8.2 | 110.4 | N619 E620 | R617-N619 WeakPolarHBondContact CB-OD1 3.39Å; R617-N619 PolarHBondContact O-N 2.99Å; R617-E620 HydrophobicContact CB-CG 4.16Å; R617-E620 IonicContact NH1-OE1 2.81Å; R617-E620 WeakPolarHBondContact O-CB 3.43Å; R617-E620 PolarHBondContact O-N 3.2Å; R617-E620 VanDerWaalsContact O-N 3.1Å |
| 618 | P | 86.8 | Confident | 93.3 | Very high | 141 Ų | 141 | 40 Ų | 40 | 92% | 0.916 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.2 | 179.6 | -24.5 | 34.4 | 0 | 0 | 0 | 114.2 | E620 | P618-E620 VanDerWaalsContact C-N 3.33Š|
| 619 | N | 90.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 40 Ų | 40 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.3 | 179.1 | 68.5 | -30 | 0 | 0 | 0 | 113.8 | R617 V621 | R617-N619 WeakPolarHBondContact CB-OD1 3.39Å; R617-N619 PolarHBondContact O-N 2.99Å; N619-V621 PolarHBondContact O-N 3.21Å |
| 620 | E | 94.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -71 | 124.3 | 175.4 | -79.6 | 179.8 | -169.3 | 0 | 0 | 111 | A579 R581 R615 R616 R617 P618 | A579-E620 CarbonylContact O-C 3.48Å; A579-E620 VanDerWaalsContact O-CA 3.29Å; A579-E620 WeakPolarHBondContact O-CA 3.35Å; R581-E620 IonicContact NH1-OE2 3.66Å; R615-E620 VanDerWaalsContact CA-OE2 3.32Å; R615-E620 WeakPolarHBondContact CA-OE2 3.46Å; R615-E620 HydrophobicContact CB-CB 4.34Å; R615-E620 WeakPolarHBondContact CD-O 3.36Å; R615-E620 HydrophobicContact CG-CB 4.08Å; R615-E620 PolarHBondContact NE-O 3.12Å; R616-E620 PolarHBondContact N-OE2 2.84Å; R617-E620 HydrophobicContact CB-CG 4.16Å; R617-E620 IonicContact NH1-OE1 2.81Å; R617-E620 WeakPolarHBondContact O-CB 3.43Å; R617-E620 PolarHBondContact O-N 3.2Å; R617-E620 VanDerWaalsContact O-N 3.1Å; P618-E620 VanDerWaalsContact C-N 3.33Å |
| 621 | V | 96.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.1 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | N538 A579 V580 R581 N619 I623 L747 | N538-V621 HydrophobicContact CB-CG1 3.9Å; N538-V621 WeakPolarHBondContact OD1-CA 3.4Å; A579-V621 PolarHBondContact O-N 3.09Å; V580-V621 WeakPolarHBondContact CA-O 3.19Å; V580-V621 HydrophobicContact CG2-CB 4.41Å; R581-V621 PolarHBondContact N-O 2.97Å; N619-V621 PolarHBondContact O-N 3.21Å; V621-I623 HydrophobicContact CG1-CG2 3.99Å; V621-L747 HydrophobicContact CB-CD2 3.82Å; V621-L747 HydrophobicContact CG1-CD2 4.32Å; V621-L747 HydrophobicContact CG2-CD2 3.51Å |
| 622 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.7 | 174.7 | -62.9 | -174.3 | 0 | 0 | 0 | 109.8 | R535 P537 N538 A539 R581 F612 P613 R615 | R535-L622 WeakPolarHBondContact O-CD1 3.4Å; P537-L622 CarbonylContact C-O 3.55Å; P537-L622 WeakPolarHBondContact CA-O 3.31Å; P537-L622 HydrophobicContact CB-CB 4.49Å; N538-L622 PolarHBondContact N-O 3.33Å; N538-L622 PolarHBondContact OD1-N 3.37Å; A539-L622 PolarHBondContact N-O 3.17Å; R581-L622 HydrophobicContact CB-CD2 3.86Å; R581-L622 VanDerWaalsContact O-CA 3.31Å; R581-L622 WeakPolarHBondContact O-CA 3.49Å; F612-L622 HydrophobicContact CB-CD1 4.21Å; P613-L622 HydrophobicContact CG-CD2 4.01Å; R615-L622 HydrophobicContact CG-CD1 3.86Å; R615-L622 HydrophobicContact CG-CD2 4.29Å; R615-L622 HydrophobicContact CG-CG 3.86Å |
| 623 | I | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.7 | -179.2 | 63.2 | 170.3 | 0 | 0 | 0 | 112.3 | A539 I541 Y571 L574 V580 R581 G582 S583 V621 | A539-I623 HydrophobicContact CB-CG2 4.12Å; A539-I623 WeakPolarHBondContact O-CA 3.43Å; I541-I623 HydrophobicContact CD1-CD1 4.23Å; Y571-I623 HydrophobicContact CD2-CD1 3.69Å; Y571-I623 HydrophobicContact CD2-CG1 4.05Å; Y571-I623 HydrophobicContact CE2-CD1 4.01Å; Y571-I623 HydrophobicContact CE2-CG1 3.88Å; L574-I623 HydrophobicContact CB-CD1 3.75Å; L574-I623 HydrophobicContact CD1-CD1 4.06Å; V580-I623 HydrophobicContact CG1-CD1 3.55Å; V580-I623 HydrophobicContact CG1-CG1 3.82Å; V580-I623 HydrophobicContact CG1-CG2 4.29Å; R581-I623 PolarHBondContact O-N 3.14Å; G582-I623 WeakPolarHBondContact CA-O 3.46Å; S583-I623 PolarHBondContact N-O 2.61Å; V621-I623 HydrophobicContact CG1-CG2 3.99Å |
| 624 | E | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.1 | 167.4 | -167.7 | -171.1 | 143.7 | 0 | 0 | 109.7 | P537 A539 I540 I541 V593 Y608 F612 S626 Y629 | P537-E624 HydrophobicContact CB-CB 4.48Å; P537-E624 HydrophobicContact CG-CB 4.43Å; A539-E624 PolarHBondContact O-N 2.76Å; I540-E624 CarbonylContact C-O 3.29Å; I540-E624 WeakPolarHBondContact CA-O 3.25Å; I540-E624 HydrophobicContact CG2-CB 4.06Å; I541-E624 PolarHBondContact N-O 3.11Å; V593-E624 HydrophobicContact CB-CG 4.39Å; V593-E624 HydrophobicContact CG2-CG 4.06Å; Y608-E624 WeakPolarHBondContact CE2-OE2 3.43Å; Y608-E624 VanDerWaalsContact CZ-OE2 3.28Å; Y608-E624 PolarHBondContact OH-OE2 3.26Å; F612-E624 HydrophobicContact CE1-CB 4.1Å; F612-E624 HydrophobicContact CZ-CB 3.93Å; F612-E624 HydrophobicContact CZ-CG 4.11Å; E624-S626 PolarHBondContact OE1-OG 3.03Å; E624-Y629 WeakPolarHBondContact OE1-CE2 2.96Å; E624-Y629 PolarHBondContact OE1-OH 3.11Å |
| 625 | K | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.9 | 163.4 | 177.7 | -88.4 | -172.1 | 173.1 | 0 | 109.2 | I541 T567 T568 Y571 E591 E592 | I541-K625 HydrophobicContact CB-CB 4.16Å; I541-K625 HydrophobicContact CB-CG 4.22Å; I541-K625 HydrophobicContact CG2-CG 4.27Å; T567-K625 WeakPolarHBondContact OG1-CE 3.36Å; T568-K625 WeakPolarHBondContact OG1-CE 3.43Å; T568-K625 PolarHBondContact OG1-NZ 2.93Å; T568-K625 VanDerWaalsContact OG1-NZ 3.08Å; Y571-K625 HydrophobicContact CD1-CB 4.49Å; Y571-K625 HydrophobicContact CD2-CB 3.66Å; Y571-K625 HydrophobicContact CE2-CB 4.23Å; Y571-K625 HydrophobicContact CG-CB 3.8Å; Y571-K625 HydrophobicContact CG-CG 4.49Å; E591-K625 HydrophobicContact CG-CD 4.21Å; E591-K625 IonicContact OE1-NZ 3.88Å; E592-K625 WeakPolarHBondContact CA-O 3.29Å; E592-K625 HydrophobicContact CG-CD 4.02Å; E592-K625 WeakPolarHBondContact OE1-CE 3.42Å; E592-K625 IonicContact OE1-NZ 2.94Å; E592-K625 PolarHBondContact OE1-NZ 3.32Å |
| 626 | S | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -150.6 | 97.4 | 172.6 | -72.8 | 0 | 0 | 0 | 0 | 108 | I541 V593 Q594 E624 T628 Y629 | I541-S626 PolarHBondContact O-N 2.71Å; I541-S626 VanDerWaalsContact O-N 3.14Å; V593-S626 PolarHBondContact N-OG 3.26Å; Q594-S626 PolarHBondContact N-OG 3.04Å; Q594-S626 VanDerWaalsContact N-OG 3.14Å; E624-S626 PolarHBondContact OE1-OG 3.03Å; S626-T628 PolarHBondContact O-N 3.39Å; S626-Y629 PolarHBondContact O-N 3.38Å; S626-Y629 PolarHBondContact OG-OH 3.14Å | ||
| 627 | A | 90 | Very high | 94.1 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.1 | -29.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | G543 Q545 E592 Y629 F630 | G543-A627 CarbonylContact O-C 3.53Å; Q545-A627 HydrophobicContact CG-CB 4.28Å; E592-A627 WeakPolarHBondContact OE1-CB 3.33Å; E592-A627 PolarHBondContact OE1-N 2.86Å; E592-A627 VanDerWaalsContact OE1-N 3.14Å; A627-Y629 PolarHBondContact O-N 2.91Å; A627-F630 PolarHBondContact O-N 3.14Å |
| 628 | T | 88.4 | Confident | 94.5 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -59.5 | -14.7 | -179.8 | 69.2 | 0 | 0 | 0 | 0 | 114.8 | Q545 E592 Q594 S626 C632 | Q545-T628 HydrophobicContact CG-CG2 4.42Å; E592-T628 WeakPolarHBondContact OE2-CG2 3.41Å; Q594-T628 HydrophobicContact CG-CG2 4.08Å; Q594-T628 VanDerWaalsContact NE2-CG2 3.33Å; S626-T628 PolarHBondContact O-N 3.39Å; T628-C632 VanDerWaalsContact O-CB 3.28Å; T628-C632 WeakPolarHBondContact O-CB 3.25Å |
| 629 | Y | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -78 | -24.5 | 179.5 | -63 | -16.2 | 0 | 0 | 0 | 113.5 | V542 Q594 F595 F596 C597 E624 S626 A627 D631 C632 A635 W713 | V542-Y629 HydrophobicContact CG1-CD2 4.2Å; Q594-Y629 VanDerWaalsContact C-OH 3.31Å; Q594-Y629 WeakPolarHBondContact CA-OH 3.17Å; Q594-Y629 PolarHBondContact N-OH 2.91Å; F595-Y629 PolarHBondContact N-OH 2.94Å; F596-Y629 HydrophobicContact CB-CD1 4.11Å; F596-Y629 HydrophobicContact CB-CE1 3.72Å; F596-Y629 HydrophobicContact CB-CE2 4.27Å; F596-Y629 HydrophobicContact CD2-CD2 4.28Å; F596-Y629 HydrophobicContact CD2-CE1 4.4Å; F596-Y629 AromaticContact CD2-CE2 3.55Å; F596-Y629 HydrophobicContact CD2-CE2 3.55Å; F596-Y629 AromaticContact CD2-CZ 3.62Å; F596-Y629 HydrophobicContact CE2-CE2 4.43Å; F596-Y629 HydrophobicContact CG-CE2 4.39Å; F596-Y629 PolarHBondContact N-OH 3.03Å; C597-Y629 HydrophobicContact CB-CD1 3.96Å; C597-Y629 HydrophobicContact CB-CE1 4.19Å; E624-Y629 WeakPolarHBondContact OE1-CE2 2.96Å; E624-Y629 PolarHBondContact OE1-OH 3.11Å; S626-Y629 PolarHBondContact O-N 3.38Å; S626-Y629 PolarHBondContact OG-OH 3.14Å; A627-Y629 PolarHBondContact O-N 2.91Å; Y629-D631 PolarHBondContact O-N 2.95Å; Y629-C632 PolarHBondContact O-N 2.78Å; Y629-A635 HydrophobicContact CD1-CB 4.36Å; Y629-A635 HydrophobicContact CG-CB 4.29Å; Y629-A635 WeakPolarHBondContact O-CB 3.47Å; Y629-W713 WeakPolarHBondContact O-CZ2 3.32Å |
| 630 | F | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -48.9 | -169 | 178.6 | -108.2 | 0 | 0 | 0 | 112.4 | V542 G543 P544 A627 V650 L652 Y706 H709 L710 W713 | V542-F630 HydrophobicContact CB-CB 4.38Å; V542-F630 HydrophobicContact CG2-CD2 4.31Å; G543-F630 VanDerWaalsContact C-CB 3.49Å; G543-F630 WeakPolarHBondContact O-CB 3.25Å; P544-F630 HydrophobicContact CB-CD1 4.15Å; P544-F630 HydrophobicContact CB-CE1 4.36Å; A627-F630 PolarHBondContact O-N 3.14Å; F630-V650 HydrophobicContact CD2-CG1 3.97Å; F630-V650 HydrophobicContact CE2-CG1 3.6Å; F630-V650 HydrophobicContact CZ-CG1 4.49Å; F630-L652 HydrophobicContact CE2-CD2 4.3Å; F630-L652 HydrophobicContact CZ-CD2 3.92Å; F630-Y706 AromaticContact CE1-CD1 3.67Å; F630-Y706 HydrophobicContact CE1-CD1 3.67Å; F630-Y706 HydrophobicContact CE1-CE1 4.25Å; F630-Y706 HydrophobicContact CE1-CG 4.48Å; F630-Y706 HydrophobicContact CZ-CD1 4.06Å; F630-Y706 HydrophobicContact CZ-CG 4.46Å; F630-H709 HydrophobicContact CD1-CB 4.35Å; F630-H709 HydrophobicContact CE1-CB 3.89Å; F630-H709 AromaticContact CE1-CD2 3.92Å; F630-H709 HydrophobicContact CE2-CB 4.31Å; F630-H709 HydrophobicContact CZ-CB 3.87Å; F630-L710 HydrophobicContact CE2-CD2 4.18Å; F630-L710 HydrophobicContact CE2-CG 4.25Å; F630-L710 HydrophobicContact CZ-CG 4.41Å; F630-W713 PolarHBondContact O-NE1 2.96Å; F630-W713 VanDerWaalsContact O-NE1 3.07Å |
| 631 | D | 93.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 21.1 Ų | 21.1 | 20% | 0.203 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -9.4 | -179.1 | 59.1 | -45.3 | 0 | 0 | 0 | 113.8 | Y629 D633 P703 R712 | Y629-D631 PolarHBondContact O-N 2.95Å; D631-D633 PolarHBondContact O-N 3.32Å; D631-P703 HydrophobicContact CB-CB 4.07Å; D631-P703 WeakPolarHBondContact OD2-CG 3.5Å; D631-R712 PolarHBondContact O-NH1 3.3Å |
| 632 | C | 94.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 20.3 Ų | 20.3 | 14% | 0.142 | 11% | 0.11 | C | C | . | . | trans | -70.8 | 117.9 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | C597 T628 Y629 L634 A635 P636 | C597-C632 HydrophobicContact CB-CB 3.89Å; C597-C632 WeakPolarHBondContact CB-SG 3.22Å; C597-C632 WeakPolarHBondContact SG-CB 3.45Å; C597-C632 CovalentContact SG-SG 2.06Å; C597-C632 PolarHBondContact SG-SG 3.5Å; T628-C632 VanDerWaalsContact O-CB 3.28Å; T628-C632 WeakPolarHBondContact O-CB 3.25Å; Y629-C632 PolarHBondContact O-N 2.78Å; C632-L634 VanDerWaalsContact C-N 3.32Å; C632-L634 PolarHBondContact O-N 2.86Å; C632-A635 HydrophobicContact CB-CB 3.86Å; C632-A635 PolarHBondContact O-N 3.04Å; C632-A635 VanDerWaalsContact O-N 3.16Å; C632-P636 WeakPolarHBondContact O-CD 3.48Å | ||
| 633 | D | 92.9 | Very high | 95.5 | Very high | 109 Ų | 109 | 20.8 Ų | 20.8 | 58% | 0.583 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.5 | -174 | -65.9 | -10.9 | 0 | 0 | 0 | 114.1 | D631 R712 | D631-D633 PolarHBondContact O-N 3.32Å; D633-R712 IonicContact OD1-CZ 3.91Å; D633-R712 IonicContact OD1-NE 2.74Å; D633-R712 IonicContact OD1-NH1 3.32Å; D633-R712 PolarHBondContact OD1-NH1 3.11Å; D633-R712 IonicContact OD1-NH2 3.01Å; D633-R712 PolarHBondContact OD1-NH2 3.19Å |
| 634 | L | 94.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 22.1 Ų | 22.1 | 42% | 0.424 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.4 | -176.9 | -65.8 | 177 | 0 | 0 | 0 | 113.8 | C632 L637 R638 | C632-L634 VanDerWaalsContact C-N 3.32Å; C632-L634 PolarHBondContact O-N 2.86Å; L634-L637 PolarHBondContact O-N 2.9Å; L634-R638 HydrophobicContact CB-CG 4.46Å; L634-R638 WeakPolarHBondContact O-CB 3.42Å; L634-R638 VanDerWaalsContact O-CG 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.27Å; L634-R638 PolarHBondContact O-N 3.4Å |
| 635 | A | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F596 Y629 C632 L637 R638 V639 W713 | F596-A635 HydrophobicContact CB-CB 4.31Å; Y629-A635 HydrophobicContact CD1-CB 4.36Å; Y629-A635 HydrophobicContact CG-CB 4.29Å; Y629-A635 WeakPolarHBondContact O-CB 3.47Å; C632-A635 HydrophobicContact CB-CB 3.86Å; C632-A635 PolarHBondContact O-N 3.04Å; C632-A635 VanDerWaalsContact O-N 3.16Å; A635-L637 VanDerWaalsContact C-N 3.32Å; A635-L637 PolarHBondContact O-N 3.16Å; A635-R638 PolarHBondContact O-N 2.98Å; A635-V639 WeakPolarHBondContact O-CB 3.38Å; A635-V639 WeakPolarHBondContact O-CG2 3.47Å; A635-V639 PolarHBondContact O-N 3.41Å; A635-W713 HydrophobicContact CB-CZ2 4.45Å |
| 636 | P | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 178.9 | -25.4 | 33.9 | 0 | 0 | 0 | 113.5 | C632 K640 R712 W713 H716 | C632-P636 WeakPolarHBondContact O-CD 3.48Å; P636-K640 VanDerWaalsContact O-CB 3.27Å; P636-K640 WeakPolarHBondContact O-CB 3.46Å; P636-K640 PolarHBondContact O-N 3.23Å; P636-R712 HydrophobicContact CG-CG 4.26Å; P636-W713 HydrophobicContact CB-CD2 4.06Å; P636-W713 HydrophobicContact CB-CE3 4.01Å; P636-W713 HydrophobicContact CB-CG 4.46Å; P636-W713 HydrophobicContact CB-CZ3 4.43Å; P636-W713 HydrophobicContact CG-CD2 3.68Å; P636-W713 HydrophobicContact CG-CE3 4.1Å; P636-W713 HydrophobicContact CG-CG 3.95Å; P636-W713 HydrophobicContact CG-CZ2 4.19Å; P636-H716 HydrophobicContact CB-CB 4.26Å |
| 637 | L | 95.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 177.6 | 177.9 | 149.2 | 0 | 0 | 0 | 111.4 | V513 L634 A635 K640 A641 | V513-L637 HydrophobicContact CG1-CD2 3.75Å; V513-L637 HydrophobicContact CG2-CD2 3.88Å; L634-L637 PolarHBondContact O-N 2.9Å; A635-L637 VanDerWaalsContact C-N 3.32Å; A635-L637 PolarHBondContact O-N 3.16Å; L637-K640 PolarHBondContact O-N 3.13Å; L637-A641 WeakPolarHBondContact O-CB 3.42Å; L637-A641 PolarHBondContact O-N 3.16Å |
| 638 | R | 97.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | -176.8 | -66 | 171.2 | 166.3 | -175.1 | -7.4 | 112 | F596 Y601 L634 A635 A641 L642 | F596-R638 HydrophobicContact CB-CB 4.45Å; F596-R638 HydrophobicContact CD1-CB 3.72Å; F596-R638 WeakPolarHBondContact O-CD 3.43Å; F596-R638 PolarHBondContact O-NH1 2.88Å; Y601-R638 HydrophobicContact CE1-CG 3.92Å; Y601-R638 HydrophobicContact CE2-CB 3.81Å; Y601-R638 HydrophobicContact CE2-CG 3.87Å; L634-R638 HydrophobicContact CB-CG 4.46Å; L634-R638 WeakPolarHBondContact O-CB 3.42Å; L634-R638 VanDerWaalsContact O-CG 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.27Å; L634-R638 PolarHBondContact O-N 3.4Å; A635-R638 PolarHBondContact O-N 2.98Å; R638-A641 PolarHBondContact O-N 2.88Å; R638-L642 PolarHBondContact O-N 3.25Å |
| 639 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | I540 F596 A635 A641 L642 L643 V646 W713 F717 | I540-V639 HydrophobicContact CD1-CG1 3.72Å; I540-V639 HydrophobicContact CD1-CG2 4.05Å; F596-V639 HydrophobicContact CB-CG2 4.03Å; F596-V639 HydrophobicContact CD1-CG2 3.94Å; F596-V639 HydrophobicContact CD2-CG2 3.46Å; F596-V639 VanDerWaalsContact CD2-CG2 3.46Å; F596-V639 HydrophobicContact CE1-CG2 4.23Å; F596-V639 HydrophobicContact CE2-CG2 3.8Å; F596-V639 HydrophobicContact CG-CG2 3.53Å; F596-V639 HydrophobicContact CZ-CG2 4.16Å; A635-V639 WeakPolarHBondContact O-CB 3.38Å; A635-V639 WeakPolarHBondContact O-CG2 3.47Å; A635-V639 PolarHBondContact O-N 3.41Å; V639-A641 VanDerWaalsContact C-N 3.26Å; V639-A641 PolarHBondContact O-N 3.01Å; V639-L642 PolarHBondContact O-N 2.87Å; V639-L643 HydrophobicContact CG1-CB 4.4Å; V639-L643 CarbonylContact O-C 3.58Å; V639-L643 WeakPolarHBondContact O-CA 3.33Å; V639-L643 WeakPolarHBondContact O-CB 3.34Å; V639-L643 PolarHBondContact O-N 2.94Å; V639-V646 HydrophobicContact CG1-CG1 3.72Å; V639-W713 HydrophobicContact CB-CZ3 4.42Å; V639-W713 HydrophobicContact CG1-CZ3 4.47Å; V639-W713 HydrophobicContact CG2-CH2 4.15Å; V639-W713 HydrophobicContact CG2-CZ3 4.45Å; V639-F717 HydrophobicContact CB-CE2 4.47Å; V639-F717 HydrophobicContact CB-CZ 4.18Å; V639-F717 HydrophobicContact CG1-CE2 4.36Å; V639-F717 HydrophobicContact CG1-CZ 3.74Å |
| 640 | K | 97.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 29.1 Ų | 29.1 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.6 | -35.8 | -179 | -177.3 | 61.8 | -172.2 | 175.9 | 0 | 112.5 | P636 L637 P644 H716 F717 | P636-K640 VanDerWaalsContact O-CB 3.27Å; P636-K640 WeakPolarHBondContact O-CB 3.46Å; P636-K640 PolarHBondContact O-N 3.23Å; L637-K640 PolarHBondContact O-N 3.13Å; K640-P644 PolarHBondContact NZ-O 2.77Å; K640-P644 WeakPolarHBondContact O-CA 3.2Å; K640-H716 HydrophobicContact CB-CB 4.13Å; K640-H716 WeakPolarHBondContact CD-O 3.27Å; K640-H716 HydrophobicContact CG-CB 4.38Å; K640-F717 VanDerWaalsContact CA-CZ 3.44Å; K640-F717 HydrophobicContact CB-CE1 4.21Å; K640-F717 HydrophobicContact CB-CE2 3.81Å; K640-F717 HydrophobicContact CB-CZ 3.57Å; K640-F717 HydrophobicContact CD-CD1 3.9Å; K640-F717 HydrophobicContact CD-CE1 3.53Å; K640-F717 HydrophobicContact CD-CE2 4.41Å; K640-F717 HydrophobicContact CD-CG 4.48Å; K640-F717 HydrophobicContact CD-CZ 3.83Å; K640-F717 HydrophobicContact CG-CE1 4.48Å; K640-F717 HydrophobicContact CG-CZ 4.29Å |
| 641 | A | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -47.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V513 W514 G515 D516 L637 R638 V639 | V513-A641 HydrophobicContact CG1-CB 3.47Å; V513-A641 VanDerWaalsContact CG1-CB 3.47Å; W514-A641 CarbonylContact O-C 3.27Å; W514-A641 VanDerWaalsContact O-C 3.27Å; W514-A641 VanDerWaalsContact O-CB 3.31Å; W514-A641 WeakPolarHBondContact O-CB 3.14Å; G515-A641 CarbonylContact C-O 3.59Å; G515-A641 VanDerWaalsContact CA-O 3.31Å; G515-A641 WeakPolarHBondContact CA-O 3.41Å; D516-A641 PolarHBondContact N-O 2.71Å; L637-A641 WeakPolarHBondContact O-CB 3.42Å; L637-A641 PolarHBondContact O-N 3.16Å; R638-A641 PolarHBondContact O-N 2.88Å; V639-A641 VanDerWaalsContact C-N 3.26Å; V639-A641 PolarHBondContact O-N 3.01Å |
| 642 | L | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -86.2 | -34.2 | -175.6 | -175.1 | 57.4 | 0 | 0 | 0 | 113.4 | W514 D516 F536 F595 F596 I605 Y608 R638 V639 | W514-L642 HydrophobicContact CB-CD1 4.37Å; W514-L642 WeakPolarHBondContact O-CA 3.26Å; W514-L642 WeakPolarHBondContact O-CB 3.25Å; W514-L642 PolarHBondContact O-N 2.94Å; W514-L642 VanDerWaalsContact O-N 3.13Å; D516-L642 WeakPolarHBondContact CB-O 3.39Å; F536-L642 HydrophobicContact CE1-CD1 4.25Å; F536-L642 HydrophobicContact CE1-CD2 4.46Å; F536-L642 HydrophobicContact CE1-CG 4.47Å; F536-L642 HydrophobicContact CZ-CD1 4Å; F595-L642 HydrophobicContact CE1-CD2 3.95Å; F596-L642 HydrophobicContact CE1-CB 4.1Å; F596-L642 HydrophobicContact CE1-CD2 3.91Å; F596-L642 HydrophobicContact CZ-CB 4.44Å; F596-L642 HydrophobicContact CZ-CD2 4.01Å; I605-L642 HydrophobicContact CD1-CD1 4.38Å; I605-L642 HydrophobicContact CG1-CD1 4.2Å; I605-L642 HydrophobicContact CG2-CD1 4.25Å; Y608-L642 HydrophobicContact CD1-CD2 3.67Å; Y608-L642 HydrophobicContact CE1-CD2 3.99Å; R638-L642 PolarHBondContact O-N 3.25Å; V639-L642 PolarHBondContact O-N 2.87Å |
| 643 | L | 97.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | trans | -129.1 | 65.4 | -172 | -53.1 | 176.1 | 0 | 0 | 0 | 110.5 | F536 P537 F596 Y608 V639 D645 V646 | F536-L643 HydrophobicContact CB-CD2 3.63Å; F536-L643 HydrophobicContact CD1-CD2 4.04Å; F536-L643 HydrophobicContact CD2-CD2 4.45Å; F536-L643 HydrophobicContact CG-CD2 3.81Å; P537-L643 HydrophobicContact CG-CD1 3.89Å; F596-L643 HydrophobicContact CE2-CD1 3.98Å; F596-L643 HydrophobicContact CZ-CD1 3.72Å; F596-L643 HydrophobicContact CZ-CG 4.16Å; Y608-L643 HydrophobicContact CE1-CD1 4.25Å; V639-L643 HydrophobicContact CG1-CB 4.4Å; V639-L643 CarbonylContact O-C 3.58Å; V639-L643 WeakPolarHBondContact O-CA 3.33Å; V639-L643 WeakPolarHBondContact O-CB 3.34Å; V639-L643 PolarHBondContact O-N 2.94Å; L643-D645 PolarHBondContact O-N 3.32Å; L643-D645 VanDerWaalsContact O-N 3.17Å; L643-V646 HydrophobicContact CB-CB 3.89Å; L643-V646 HydrophobicContact CB-CG1 4.17Å; L643-V646 HydrophobicContact CB-CG2 4.49Å; L643-V646 HydrophobicContact CD1-CG2 4.42Å; L643-V646 WeakPolarHBondContact O-CB 3.24Å; L643-V646 VanDerWaalsContact O-CG1 3.3Å; L643-V646 WeakPolarHBondContact O-CG1 3.35Å; L643-V646 PolarHBondContact O-N 2.83Å | ||
| 644 | P | 97.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 18% | 0.175 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.9 | -171 | 23.2 | -34.2 | 0 | 0 | 0 | 114.1 | D516 K640 Q721 | D516-P644 HydrophobicContact CB-CG 4.16Å; K640-P644 PolarHBondContact NZ-O 2.77Å; K640-P644 WeakPolarHBondContact O-CA 3.2Å; P644-Q721 PolarHBondContact O-NE2 3.35Å |
| 645 | D | 96.5 | Very high | 96.5 | Very high | 121 Ų | 121 | 17.6 Ų | 17.6 | 65% | 0.647 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 8.9 | -174.9 | -59.7 | -41.7 | 0 | 0 | 0 | 113.7 | L643 Q721 | L643-D645 PolarHBondContact O-N 3.32Å; L643-D645 VanDerWaalsContact O-N 3.17Å; D645-Q721 VanDerWaalsContact C-NE2 3.32Å |
| 646 | V | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.024 | 10% | 0.096 | C | C | . | . | trans | -62.6 | 144 | -178.3 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | N538 I540 V639 L643 I648 F717 Q721 | N538-V646 WeakPolarHBondContact O-CG2 3.22Å; I540-V646 HydrophobicContact CG1-CG2 4.33Å; I540-V646 HydrophobicContact CG2-CG2 4.04Å; V639-V646 HydrophobicContact CG1-CG1 3.72Å; L643-V646 HydrophobicContact CB-CB 3.89Å; L643-V646 HydrophobicContact CB-CG1 4.17Å; L643-V646 HydrophobicContact CB-CG2 4.49Å; L643-V646 HydrophobicContact CD1-CG2 4.42Å; L643-V646 WeakPolarHBondContact O-CB 3.24Å; L643-V646 VanDerWaalsContact O-CG1 3.3Å; L643-V646 WeakPolarHBondContact O-CG1 3.35Å; L643-V646 PolarHBondContact O-N 2.83Å; V646-I648 HydrophobicContact CG1-CG1 4.07Å; V646-F717 HydrophobicContact CG1-CE1 3.88Å; V646-F717 HydrophobicContact CG1-CZ 4.18Å; V646-Q721 PolarHBondContact O-NE2 3.08Å | ||
| 647 | K | 98.5 | Very high | 96 | Very high | 43 Ų | 43 | 19.2 Ų | 19.2 | 19% | 0.187 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134 | 167.6 | -70 | -177.1 | -179.8 | 178.7 | 0 | 109.7 | N538 A539 I540 Y744 L745 E746 | N538-K647 PolarHBondContact O-N 3.36Å; A539-K647 CarbonylContact C-O 3.56Å; A539-K647 WeakPolarHBondContact CA-O 3.28Å; A539-K647 HydrophobicContact CB-CB 4.04Å; A539-K647 WeakPolarHBondContact CB-O 3.12Å; I540-K647 PolarHBondContact N-O 3.38Å; K647-Y744 HydrophobicContact CB-CE1 3.75Å; K647-Y744 WeakPolarHBondContact CB-OH 3.1Å; K647-Y744 HydrophobicContact CD-CE1 4.18Å; K647-Y744 VanDerWaalsContact CD-O 3.31Å; K647-Y744 WeakPolarHBondContact CD-O 3.39Å; K647-Y744 WeakPolarHBondContact CE-O 3.48Å; K647-Y744 HydrophobicContact CG-CE1 4.28Å; K647-Y744 PolarHBondContact NZ-O 3.49Å; K647-L745 HydrophobicContact CB-CD2 4.05Å; K647-L745 HydrophobicContact CD-CD2 3.98Å; K647-E746 IonicContact NZ-OE1 2.78Å; K647-E746 PolarHBondContact NZ-OE1 2.98Å; K647-E746 IonicContact NZ-OE2 2.81Å |
| 648 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.1 | -175.6 | -55.7 | 162.7 | 0 | 0 | 0 | 107.8 | I540 V542 V646 V650 W713 F717 Q721 I722 N723 Y744 | I540-I648 HydrophobicContact CD1-CG1 4.19Å; I540-I648 HydrophobicContact CG1-CB 4.38Å; I540-I648 HydrophobicContact CG1-CG1 3.98Å; I540-I648 HydrophobicContact CG1-CG2 4.29Å; V542-I648 HydrophobicContact CG2-CG2 3.77Å; V646-I648 HydrophobicContact CG1-CG1 4.07Å; I648-V650 HydrophobicContact CG2-CG2 3.94Å; I648-W713 HydrophobicContact CD1-CE3 3.58Å; I648-W713 HydrophobicContact CD1-CZ3 3.64Å; I648-W713 HydrophobicContact CG1-CZ3 4.3Å; I648-W713 HydrophobicContact CG2-CE3 4.44Å; I648-W713 HydrophobicContact CG2-CZ3 4.39Å; I648-F717 HydrophobicContact CD1-CB 4.19Å; I648-F717 HydrophobicContact CD1-CD1 3.81Å; I648-F717 HydrophobicContact CD1-CD2 3.57Å; I648-F717 HydrophobicContact CD1-CE1 4.04Å; I648-F717 HydrophobicContact CD1-CE2 3.8Å; I648-F717 HydrophobicContact CD1-CG 3.57Å; I648-F717 HydrophobicContact CD1-CZ 4.02Å; I648-Q721 WeakPolarHBondContact CB-O 3.41Å; I648-Q721 PolarHBondContact N-O 3.06Å; I648-I722 HydrophobicContact CB-CG1 4.24Å; I648-I722 HydrophobicContact CD1-CG1 4.04Å; I648-I722 CarbonylContact O-C 3.6Å; I648-I722 WeakPolarHBondContact O-CA 3.46Å; I648-N723 PolarHBondContact O-N 3.38Å; I648-Y744 PolarHBondContact N-OH 3.03Å |
| 649 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.8 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | I540 I541 V542 L570 I725 Y744 L745 | I540-V649 PolarHBondContact O-N 2.84Å; I541-V649 WeakPolarHBondContact CA-O 3.34Å; I541-V649 HydrophobicContact CG1-CB 4.34Å; V542-V649 PolarHBondContact N-O 2.76Å; L570-V649 HydrophobicContact CD2-CG1 3.63Å; V649-I725 HydrophobicContact CG1-CD1 3.29Å; V649-I725 HydrophobicContact CG1-CG1 4.12Å; V649-Y744 HydrophobicContact CG2-CD1 4.07Å; V649-Y744 HydrophobicContact CG2-CE1 3.82Å; V649-L745 HydrophobicContact CG2-CD2 4.3Å |
| 650 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125 | -178.4 | -174.7 | 0 | 0 | 0 | 0 | 109 | V542 F630 I648 L652 L710 I722 N723 I724 I725 | V542-V650 HydrophobicContact CG2-CB 4.38Å; V542-V650 HydrophobicContact CG2-CG2 3.74Å; V542-V650 WeakPolarHBondContact O-CA 3.31Å; F630-V650 HydrophobicContact CD2-CG1 3.97Å; F630-V650 HydrophobicContact CE2-CG1 3.6Å; F630-V650 HydrophobicContact CZ-CG1 4.49Å; I648-V650 HydrophobicContact CG2-CG2 3.94Å; V650-L652 HydrophobicContact CG1-CD2 3.8Å; V650-L652 HydrophobicContact CG1-CG 4.23Å; V650-L710 HydrophobicContact CG1-CD2 4.18Å; V650-L710 HydrophobicContact CG2-CD2 4.27Å; V650-I722 HydrophobicContact CG2-CG2 3.74Å; V650-N723 PolarHBondContact N-O 3.12Å; V650-I724 HydrophobicContact CB-CG1 4.49Å; V650-I724 CarbonylContact O-C 3.14Å; V650-I724 WeakPolarHBondContact O-CA 3.4Å; V650-I725 PolarHBondContact O-N 3.28Å |
| 651 | I | 93.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.1 | 173.8 | -52.4 | 177.9 | 0 | 0 | 0 | 108.8 | I541 V542 P544 G566 T567 L570 I725 L730 | I541-I651 HydrophobicContact CG2-CD1 4.27Å; V542-I651 PolarHBondContact O-N 2.99Å; P544-I651 WeakPolarHBondContact CD-O 3.28Å; G566-I651 VanDerWaalsContact C-CD1 3.41Å; G566-I651 VanDerWaalsContact O-CD1 3.28Å; G566-I651 WeakPolarHBondContact O-CD1 2.84Å; T567-I651 HydrophobicContact CG2-CB 4.35Å; T567-I651 HydrophobicContact CG2-CD1 3.91Å; T567-I651 HydrophobicContact CG2-CG1 4.35Å; L570-I651 HydrophobicContact CB-CD1 3.79Å; L570-I651 HydrophobicContact CD2-CD1 3.65Å; L570-I651 HydrophobicContact CD2-CG1 4.12Å; L570-I651 HydrophobicContact CG-CD1 4.37Å; I651-I725 HydrophobicContact CG1-CB 4.3Å; I651-I725 HydrophobicContact CG1-CD1 4.42Å; I651-L730 HydrophobicContact CD1-CD2 4.04Å |
| 652 | L | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.7 | 177.2 | -56 | 178.7 | 0 | 0 | 0 | 110.6 | F630 V650 Y706 L710 I724 I725 G727 L808 W822 | F630-L652 HydrophobicContact CE2-CD2 4.3Å; F630-L652 HydrophobicContact CZ-CD2 3.92Å; V650-L652 HydrophobicContact CG1-CD2 3.8Å; V650-L652 HydrophobicContact CG1-CG 4.23Å; L652-Y706 HydrophobicContact CD2-CD1 4.46Å; L652-Y706 HydrophobicContact CD2-CD2 4.11Å; L652-Y706 HydrophobicContact CD2-CG 4.05Å; L652-L710 HydrophobicContact CD1-CD1 4.16Å; L652-I724 HydrophobicContact CD1-CG2 3.59Å; L652-I724 HydrophobicContact CG-CG2 4.01Å; L652-I725 PolarHBondContact N-O 3.4Å; L652-G727 PolarHBondContact O-N 3.2Å; L652-L808 HydrophobicContact CD1-CD1 4.34Å; L652-L808 HydrophobicContact CD1-CD2 4.49Å; L652-W822 HydrophobicContact CB-CZ2 3.94Å |
| 653 | I | 91.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | trans | -135.9 | 177.9 | 174.1 | 60.1 | 143.8 | 0 | 0 | 0 | 108.8 | T547 G548 R658 Y706 W822 | T547-I653 VanDerWaalsContact CB-CD1 3.42Å; T547-I653 HydrophobicContact CG2-CD1 3.65Å; T547-I653 HydrophobicContact CG2-CG1 3.6Å; T547-I653 HydrophobicContact CG2-CG2 4.19Å; G548-I653 VanDerWaalsContact O-CD1 3.29Å; G548-I653 WeakPolarHBondContact O-CD1 3.45Å; I653-R658 HydrophobicContact CD1-CB 3.87Å; I653-R658 HydrophobicContact CG1-CB 4.39Å; I653-Y706 WeakPolarHBondContact O-CE2 3.32Å; I653-Y706 PolarHBondContact O-OH 2.66Å; I653-Y706 VanDerWaalsContact O-OH 3.13Å; I653-W822 WeakPolarHBondContact O-CH2 3.47Å; I653-W822 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 654 | S | 93.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | trans | -49.9 | 123.4 | 169.5 | 159.7 | 0 | 0 | 0 | 0 | 112.4 | A656 L657 R658 E826 | S654-A656 VanDerWaalsContact C-N 3.25Å; S654-A656 PolarHBondContact O-N 2.85Å; S654-A656 PolarHBondContact OG-N 2.77Å; S654-L657 PolarHBondContact O-N 2.85Å; S654-L657 WeakPolarHBondContact OG-CG 3.44Å; S654-L657 PolarHBondContact OG-N 2.64Å; S654-R658 WeakPolarHBondContact O-CB 3.33Å; S654-R658 PolarHBondContact O-N 2.93Å; S654-E826 WeakPolarHBondContact CB-OE1 3.35Å; S654-E826 PolarHBondContact OG-OE1 3.39Å | ||
| 655 | P | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | 175.1 | 28.7 | -34.7 | 0 | 0 | 0 | 112.1 | R658 A659 Y706 Y801 W822 E826 | P655-R658 WeakPolarHBondContact O-CB 3.43Å; P655-A659 WeakPolarHBondContact O-CB 3.47Å; P655-A659 PolarHBondContact O-N 3Å; P655-Y706 WeakPolarHBondContact CA-OH 3.42Å; P655-Y706 HydrophobicContact CB-CE2 3.97Å; P655-Y706 HydrophobicContact CG-CE2 4.26Å; P655-Y801 HydrophobicContact CB-CD1 4.07Å; P655-Y801 HydrophobicContact CB-CD2 3.85Å; P655-Y801 HydrophobicContact CB-CE1 3.98Å; P655-Y801 HydrophobicContact CB-CE2 3.72Å; P655-Y801 HydrophobicContact CB-CG 4.02Å; P655-Y801 HydrophobicContact CG-CD1 4.19Å; P655-Y801 HydrophobicContact CG-CD2 3.84Å; P655-Y801 HydrophobicContact CG-CE2 4.24Å; P655-Y801 HydrophobicContact CG-CG 3.81Å; P655-W822 VanDerWaalsContact CD-CZ3 3.46Å; P655-W822 HydrophobicContact CG-CZ3 4.49Å; P655-E826 WeakPolarHBondContact CD-OE2 3.47Å |
| 656 | A | 93.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 10 Ų | 10 | 4% | 0.041 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.2 | -49.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S654 R658 A659 Y660 L797 | S654-A656 VanDerWaalsContact C-N 3.25Å; S654-A656 PolarHBondContact O-N 2.85Å; S654-A656 PolarHBondContact OG-N 2.77Å; A656-R658 VanDerWaalsContact C-N 3.32Å; A656-R658 PolarHBondContact O-N 2.94Å; A656-A659 PolarHBondContact O-N 3.04Å; A656-Y660 PolarHBondContact O-N 2.87Å; A656-L797 HydrophobicContact CB-CB 3.82Å; A656-L797 HydrophobicContact CB-CD1 4.1Å |
| 657 | L | 91.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 13 Ų | 13 | 15% | 0.152 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.5 | -64.4 | -176.4 | 0 | 0 | 0 | 112 | L561 S654 S661 M789 | L561-L657 HydrophobicContact CD2-CD2 3.59Å; S654-L657 PolarHBondContact O-N 2.85Å; S654-L657 WeakPolarHBondContact OG-CG 3.44Å; S654-L657 PolarHBondContact OG-N 2.64Å; L657-S661 WeakPolarHBondContact O-CB 3.08Å; L657-S661 PolarHBondContact O-N 3.38Å; L657-M789 HydrophobicContact CD2-CE 4.47Å |
| 658 | R | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.6 | -54 | 171.3 | -177.5 | -88.2 | 165.3 | -169 | -0.9 | 111.3 | P544 Q545 K546 I653 S654 P655 A656 Y660 S661 W662 R699 C700 | P544-R658 HydrophobicContact CB-CG 4.18Å; Q545-R658 PolarHBondContact O-NE 3.37Å; Q545-R658 PolarHBondContact O-NH2 3.29Å; K546-R658 WeakPolarHBondContact O-CG 3.45Å; I653-R658 HydrophobicContact CD1-CB 3.87Å; I653-R658 HydrophobicContact CG1-CB 4.39Å; S654-R658 WeakPolarHBondContact O-CB 3.33Å; S654-R658 PolarHBondContact O-N 2.93Å; P655-R658 WeakPolarHBondContact O-CB 3.43Å; A656-R658 VanDerWaalsContact C-N 3.32Å; A656-R658 PolarHBondContact O-N 2.94Å; R658-Y660 VanDerWaalsContact C-N 3.3Å; R658-Y660 PolarHBondContact O-N 3.2Å; R658-S661 PolarHBondContact O-N 2.85Å; R658-W662 WeakPolarHBondContact O-CB 3.47Å; R658-W662 PolarHBondContact O-N 3.27Å; R658-R699 PolarHBondContact NH1-O 2.84Å; R658-R699 VanDerWaalsContact NH1-O 3.17Å; R658-C700 PolarHBondContact NH1-O 3.32Å |
| 659 | A | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.5 | -45.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P655 A656 W662 Y663 F679 C700 L701 L797 | P655-A659 WeakPolarHBondContact O-CB 3.47Å; P655-A659 PolarHBondContact O-N 3Å; A656-A659 PolarHBondContact O-N 3.04Å; A659-W662 WeakPolarHBondContact O-CB 3.45Å; A659-W662 PolarHBondContact O-N 3.45Å; A659-Y663 PolarHBondContact O-N 3.2Å; A659-F679 HydrophobicContact CB-CZ 4.33Å; A659-C700 PolarHBondContact O-SG 3.08Å; A659-L701 HydrophobicContact CB-CD2 4.22Å; A659-L797 HydrophobicContact CB-CD2 4.11Å |
| 660 | Y | 93.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.1 | -41.7 | 179 | -172.5 | -121.5 | 0 | 0 | 0 | 113.6 | L561 A656 R658 W662 Y663 Q664 F679 Y786 E787 P788 M789 | L561-Y660 HydrophobicContact CD1-CD1 3.6Å; L561-Y660 HydrophobicContact CD1-CE1 3.64Å; A656-Y660 PolarHBondContact O-N 2.87Å; R658-Y660 VanDerWaalsContact C-N 3.3Å; R658-Y660 PolarHBondContact O-N 3.2Å; Y660-W662 PolarHBondContact O-N 3.41Å; Y660-Y663 HydrophobicContact CD2-CD1 4.26Å; Y660-Y663 HydrophobicContact CE2-CD1 4.22Å; Y660-Y663 PolarHBondContact O-N 2.64Å; Y660-Q664 HydrophobicContact CD1-CG 4.45Å; Y660-Q664 HydrophobicContact CD2-CG 4.41Å; Y660-Q664 HydrophobicContact CE1-CG 4.15Å; Y660-Q664 HydrophobicContact CE2-CG 4.15Å; Y660-Q664 VanDerWaalsContact CZ-NE2 3.35Å; Y660-Q664 WeakPolarHBondContact O-CG 3.46Å; Y660-Q664 PolarHBondContact O-N 3.21Å; Y660-Q664 PolarHBondContact OH-NE2 3.34Å; Y660-F679 HydrophobicContact CD2-CB 4.47Å; Y660-F679 AromaticContact CD2-CD1 3.31Å; Y660-F679 HydrophobicContact CD2-CD1 3.31Å; Y660-F679 HydrophobicContact CD2-CD2 4.14Å; Y660-F679 AromaticContact CD2-CE1 3.35Å; Y660-F679 HydrophobicContact CD2-CE1 3.35Å; Y660-F679 HydrophobicContact CD2-CE2 4.17Å; Y660-F679 AromaticContact CD2-CG 3.73Å; Y660-F679 HydrophobicContact CD2-CG 3.73Å; Y660-F679 AromaticContact CD2-CZ 3.8Å; Y660-F679 HydrophobicContact CD2-CZ 3.8Å; Y660-F679 HydrophobicContact CE2-CB 4.31Å; Y660-F679 AromaticContact CE2-CD1 3.76Å; Y660-F679 HydrophobicContact CE2-CD1 3.76Å; Y660-F679 HydrophobicContact CE2-CE1 4.24Å; Y660-F679 HydrophobicContact CE2-CG 4.04Å; Y660-F679 HydrophobicContact CG-CD1 4.34Å; Y660-F679 AromaticContact CG-CE1 3.98Å; Y660-F679 HydrophobicContact CG-CE1 3.98Å; Y660-F679 HydrophobicContact CG-CZ 4.29Å; Y660-Y786 HydrophobicContact CD1-CD2 4.11Å; Y660-Y786 AromaticContact CD1-CE2 3.66Å; Y660-Y786 HydrophobicContact CD1-CE2 3.66Å; Y660-Y786 AromaticContact CE1-CD2 3.57Å; Y660-Y786 HydrophobicContact CE1-CD2 3.57Å; Y660-Y786 AromaticContact CE1-CE2 3.6Å; Y660-Y786 HydrophobicContact CE1-CE2 3.6Å; Y660-E787 VanDerWaalsContact CE1-O 3.3Å; Y660-E787 WeakPolarHBondContact CE1-O 3.44Å; Y660-E787 PolarHBondContact OH-O 3.31Å; Y660-P788 PolarHBondContact OH-O 3.3Å; Y660-M789 HydrophobicContact CD1-CB 3.9Å; Y660-M789 HydrophobicContact CD1-CE 4.02Å; Y660-M789 HydrophobicContact CD1-CG 4.37Å; Y660-M789 HydrophobicContact CD2-CB 4.45Å; Y660-M789 HydrophobicContact CD2-CG 4.15Å; Y660-M789 HydrophobicContact CE1-CB 3.86Å; Y660-M789 HydrophobicContact CE2-CB 4.39Å; Y660-M789 HydrophobicContact CE2-CG 4.31Å; Y660-M789 HydrophobicContact CG-CB 4.18Å; Y660-M789 HydrophobicContact CG-CE 3.74Å; Y660-M789 HydrophobicContact CG-CG 4.14Å |
| 661 | S | 89.4 | Confident | 91.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -33.7 | 174 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | T563 L657 R658 H665 | T563-S661 PolarHBondContact OG1-OG 2.61Å; L657-S661 WeakPolarHBondContact O-CB 3.08Å; L657-S661 PolarHBondContact O-N 3.38Å; R658-S661 PolarHBondContact O-N 2.85Å; S661-H665 VanDerWaalsContact O-CB 3.3Å; S661-H665 WeakPolarHBondContact O-CB 3.47Å; S661-H665 PolarHBondContact O-N 3.21Å |
| 662 | W | 91.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.038 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -46.4 | 174.1 | -178.1 | 90.3 | 0 | 0 | 0 | 111.2 | K546 R658 A659 Y660 Q664 H665 M666 F696 R699 C700 | K546-W662 HydrophobicContact CB-CB 4.09Å; R658-W662 WeakPolarHBondContact O-CB 3.47Å; R658-W662 PolarHBondContact O-N 3.27Å; A659-W662 WeakPolarHBondContact O-CB 3.45Å; A659-W662 PolarHBondContact O-N 3.45Å; Y660-W662 PolarHBondContact O-N 3.41Å; W662-Q664 PolarHBondContact O-N 2.84Å; W662-H665 WeakPolarHBondContact O-CB 3.23Å; W662-H665 PolarHBondContact O-N 3.36Å; W662-M666 HydrophobicContact CD2-CG 4.06Å; W662-M666 HydrophobicContact CE3-CG 4.07Å; W662-M666 HydrophobicContact CH2-CG 3.79Å; W662-M666 HydrophobicContact CH2-SD 4.21Å; W662-M666 HydrophobicContact CZ2-CG 3.77Å; W662-M666 HydrophobicContact CZ2-SD 3.76Å; W662-M666 HydrophobicContact CZ3-CG 3.93Å; W662-M666 WeakPolarHBondContact O-CG 3.38Å; W662-M666 PolarHBondContact O-N 2.81Å; W662-F696 HydrophobicContact CE3-CZ 4.43Å; W662-F696 AromaticContact CH2-CD2 3.81Å; W662-F696 HydrophobicContact CH2-CD2 3.81Å; W662-F696 HydrophobicContact CH2-CE1 4.31Å; W662-F696 AromaticContact CH2-CE2 3.49Å; W662-F696 HydrophobicContact CH2-CE2 3.49Å; W662-F696 VanDerWaalsContact CH2-CE2 3.49Å; W662-F696 HydrophobicContact CH2-CG 4.31Å; W662-F696 AromaticContact CH2-CZ 3.76Å; W662-F696 HydrophobicContact CH2-CZ 3.76Å; W662-F696 HydrophobicContact CZ3-CD1 4.25Å; W662-F696 HydrophobicContact CZ3-CD2 4.23Å; W662-F696 AromaticContact CZ3-CE1 3.76Å; W662-F696 HydrophobicContact CZ3-CE1 3.76Å; W662-F696 AromaticContact CZ3-CE2 3.72Å; W662-F696 HydrophobicContact CZ3-CE2 3.72Å; W662-F696 HydrophobicContact CZ3-CG 4.45Å; W662-F696 AromaticContact CZ3-CZ 3.44Å; W662-F696 HydrophobicContact CZ3-CZ 3.44Å; W662-F696 VanDerWaalsContact CZ3-CZ 3.44Å; W662-R699 HydrophobicContact CH2-CB 3.69Å; W662-R699 HydrophobicContact CZ2-CB 3.67Å; W662-C700 HydrophobicContact CE3-CB 3.73Å; W662-C700 HydrophobicContact CZ3-CB 3.6Å |
| 663 | Y | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 175.1 | 169.8 | -103.3 | 0 | 0 | 0 | 112.2 | A659 Y660 H665 M666 K667 A674 N677 F679 V682 F696 | A659-Y663 PolarHBondContact O-N 3.2Å; Y660-Y663 HydrophobicContact CD2-CD1 4.26Å; Y660-Y663 HydrophobicContact CE2-CD1 4.22Å; Y660-Y663 PolarHBondContact O-N 2.64Å; Y663-H665 VanDerWaalsContact C-N 3.27Å; Y663-H665 PolarHBondContact O-N 3.41Å; Y663-M666 WeakPolarHBondContact O-CA 3.49Å; Y663-M666 WeakPolarHBondContact O-CB 3.22Å; Y663-M666 PolarHBondContact O-N 3.48Å; Y663-K667 HydrophobicContact CD1-CD 4.41Å; Y663-K667 HydrophobicContact CE1-CD 3.61Å; Y663-K667 HydrophobicContact CE1-CG 4.12Å; Y663-K667 HydrophobicContact CE2-CD 4.48Å; Y663-K667 HydrophobicContact CE2-CG 4.34Å; Y663-K667 PolarHBondContact O-N 3.03Å; Y663-K667 PolarHBondContact OH-NZ 3.4Å; Y663-A674 HydrophobicContact CD2-CB 4.43Å; Y663-A674 HydrophobicContact CE2-CB 4.24Å; Y663-A674 PolarHBondContact OH-O 3.08Å; Y663-N677 PolarHBondContact OH-O 3.45Å; Y663-F679 HydrophobicContact CD1-CB 3.85Å; Y663-F679 AromaticContact CD1-CD2 3.61Å; Y663-F679 HydrophobicContact CD1-CD2 3.61Å; Y663-F679 HydrophobicContact CD1-CE2 4.42Å; Y663-F679 AromaticContact CD1-CG 3.93Å; Y663-F679 HydrophobicContact CD1-CG 3.93Å; Y663-F679 AromaticContact CD2-CD2 3.83Å; Y663-F679 HydrophobicContact CD2-CD2 3.83Å; Y663-F679 HydrophobicContact CE1-CB 3.64Å; Y663-F679 HydrophobicContact CE1-CD2 4.23Å; Y663-F679 HydrophobicContact CE1-CG 4.25Å; Y663-F679 HydrophobicContact CE2-CB 4.48Å; Y663-F679 HydrophobicContact CE2-CD2 4.41Å; Y663-F679 HydrophobicContact CG-CB 4.36Å; Y663-F679 AromaticContact CG-CD2 3.38Å; Y663-F679 HydrophobicContact CG-CD2 3.38Å; Y663-F679 AromaticContact CG-CE2 3.98Å; Y663-F679 HydrophobicContact CG-CE2 3.98Å; Y663-F679 HydrophobicContact CG-CG 4.17Å; Y663-F679 PolarHBondContact OH-N 3.4Å; Y663-V682 HydrophobicContact CD2-CG2 4.5Å; Y663-V682 HydrophobicContact CE2-CG2 4.21Å; Y663-F696 AromaticContact CD2-CE1 3.91Å; Y663-F696 HydrophobicContact CD2-CE1 3.91Å; Y663-F696 HydrophobicContact CD2-CZ 4.21Å; Y663-F696 HydrophobicContact CE2-CE1 4.42Å |
| 664 | Q | 91.8 | Very high | 91.7 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 178.6 | -66.6 | -71 | 26 | 0 | 0 | 112.4 | Y660 W662 M666 K667 A668 Y786 | Y660-Q664 HydrophobicContact CD1-CG 4.45Å; Y660-Q664 HydrophobicContact CD2-CG 4.41Å; Y660-Q664 HydrophobicContact CE1-CG 4.15Å; Y660-Q664 HydrophobicContact CE2-CG 4.15Å; Y660-Q664 VanDerWaalsContact CZ-NE2 3.35Å; Y660-Q664 WeakPolarHBondContact O-CG 3.46Å; Y660-Q664 PolarHBondContact O-N 3.21Å; Y660-Q664 PolarHBondContact OH-NE2 3.34Å; W662-Q664 PolarHBondContact O-N 2.84Å; Q664-M666 VanDerWaalsContact C-N 3.34Å; Q664-K667 PolarHBondContact O-N 3.41Å; Q664-A668 WeakPolarHBondContact O-CB 3Å; Q664-A668 PolarHBondContact O-N 3.01Å; Q664-Y786 HydrophobicContact CB-CD1 4.07Å; Q664-Y786 HydrophobicContact CB-CD2 4.3Å; Q664-Y786 HydrophobicContact CB-CE1 4.49Å; Q664-Y786 HydrophobicContact CB-CG 3.96Å; Q664-Y786 HydrophobicContact CG-CD1 4.3Å; Q664-Y786 HydrophobicContact CG-CD2 3.65Å; Q664-Y786 HydrophobicContact CG-CE2 4.17Å; Q664-Y786 HydrophobicContact CG-CG 3.71Å |
| 665 | H | 88.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 171.7 | 179 | -79.9 | 0 | 0 | 0 | 112.4 | K546 S661 W662 Y663 H669 | K546-H665 HydrophobicContact CD-CB 4.24Å; K546-H665 WeakPolarHBondContact CE-CD2 3.5Å; K546-H665 WeakPolarHBondContact CE-NE2 3.29Å; K546-H665 HydrophobicContact CG-CB 4.44Å; K546-H665 PolarHBondContact NZ-CD2 2.75Å; K546-H665 VanDerWaalsContact NZ-CD2 3.26Å; K546-H665 PolarHBondContact NZ-NE2 2.93Å; S661-H665 VanDerWaalsContact O-CB 3.3Å; S661-H665 WeakPolarHBondContact O-CB 3.47Å; S661-H665 PolarHBondContact O-N 3.21Å; W662-H665 WeakPolarHBondContact O-CB 3.23Å; W662-H665 PolarHBondContact O-N 3.36Å; Y663-H665 VanDerWaalsContact C-N 3.27Å; Y663-H665 PolarHBondContact O-N 3.41Å; H665-H669 AromaticContact CD2-CE1 3.81Å; H665-H669 AromaticContact CE1-CE1 3.23Å; H665-H669 PolarHBondContact CE1-CE1 2.63Å; H665-H669 AromaticContact CE1-ND1 3.41Å; H665-H669 PolarHBondContact CE1-ND1 2.93Å; H665-H669 AromaticContact ND1-CE1 3.91Å; H665-H669 AromaticContact ND1-ND1 3.69Å; H665-H669 AromaticContact NE2-CE1 3.18Å; H665-H669 PolarHBondContact NE2-CE1 3.12Å; H665-H669 AromaticContact NE2-ND1 3.75Å; H665-H669 PolarHBondContact O-N 3.31Å; H665-H669 PolarHBondContact O-ND1 3.14Å |
| 666 | M | 91.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 14% | 0.138 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 174.8 | -63.7 | -66.6 | 94 | 0 | 0 | 111.4 | W662 Y663 Q664 A668 H669 E670 D671 A674 F696 | W662-M666 HydrophobicContact CD2-CG 4.06Å; W662-M666 HydrophobicContact CE3-CG 4.07Å; W662-M666 HydrophobicContact CH2-CG 3.79Å; W662-M666 HydrophobicContact CH2-SD 4.21Å; W662-M666 HydrophobicContact CZ2-CG 3.77Å; W662-M666 HydrophobicContact CZ2-SD 3.76Å; W662-M666 HydrophobicContact CZ3-CG 3.93Å; W662-M666 WeakPolarHBondContact O-CG 3.38Å; W662-M666 PolarHBondContact O-N 2.81Å; Y663-M666 WeakPolarHBondContact O-CA 3.49Å; Y663-M666 WeakPolarHBondContact O-CB 3.22Å; Y663-M666 PolarHBondContact O-N 3.48Å; Q664-M666 VanDerWaalsContact C-N 3.34Å; M666-A668 VanDerWaalsContact C-N 3.33Å; M666-A668 PolarHBondContact O-N 2.97Å; M666-H669 CarbonylContact O-C 3.56Å; M666-H669 PolarHBondContact O-N 3.02Å; M666-H669 VanDerWaalsContact O-N 3.09Å; M666-E670 PolarHBondContact O-N 2.65Å; M666-D671 HydrophobicContact CB-CB 3.87Å; M666-D671 WeakPolarHBondContact O-CB 3.47Å; M666-D671 PolarHBondContact O-N 2.7Å; M666-A674 HydrophobicContact CB-CB 3.69Å; M666-F696 HydrophobicContact CB-CE2 3.98Å; M666-F696 HydrophobicContact CB-CZ 3.86Å; M666-F696 HydrophobicContact CG-CE2 3.83Å; M666-F696 HydrophobicContact CG-CZ 3.91Å |
| 667 | K | 91.7 | Very high | 91.6 | Very high | 67 Ų | 67 | 48 Ų | 48 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.8 | -68.4 | -165.9 | 95.1 | 160.8 | 0 | 112.2 | Y663 Q664 H669 E670 A674 M675 | Y663-K667 HydrophobicContact CD1-CD 4.41Å; Y663-K667 HydrophobicContact CE1-CD 3.61Å; Y663-K667 HydrophobicContact CE1-CG 4.12Å; Y663-K667 HydrophobicContact CE2-CD 4.48Å; Y663-K667 HydrophobicContact CE2-CG 4.34Å; Y663-K667 PolarHBondContact O-N 3.03Å; Y663-K667 PolarHBondContact OH-NZ 3.4Å; Q664-K667 PolarHBondContact O-N 3.41Å; K667-H669 PolarHBondContact O-N 2.97Å; K667-H669 VanDerWaalsContact O-N 3.15Å; K667-E670 PolarHBondContact O-N 2.88Å; K667-A674 HydrophobicContact CG-CB 3.8Å; K667-M675 HydrophobicContact CB-SD 4.44Å |
| 668 | A | 88 | Confident | 91.7 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q664 M666 | Q664-A668 WeakPolarHBondContact O-CB 3Å; Q664-A668 PolarHBondContact O-N 3.01Å; M666-A668 VanDerWaalsContact C-N 3.33Å; M666-A668 PolarHBondContact O-N 2.97Å |
| 669 | H | 87.8 | Confident | 91.9 | Very high | 108 Ų | 108 | 52.2 Ų | 52.2 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 17.2 | 171.6 | -69.2 | 79.9 | 0 | 0 | 0 | 111.8 | H665 M666 K667 D671 | H665-H669 AromaticContact CD2-CE1 3.81Å; H665-H669 AromaticContact CE1-CE1 3.23Å; H665-H669 PolarHBondContact CE1-CE1 2.63Å; H665-H669 AromaticContact CE1-ND1 3.41Å; H665-H669 PolarHBondContact CE1-ND1 2.93Å; H665-H669 AromaticContact ND1-CE1 3.91Å; H665-H669 AromaticContact ND1-ND1 3.69Å; H665-H669 AromaticContact NE2-CE1 3.18Å; H665-H669 PolarHBondContact NE2-CE1 3.12Å; H665-H669 AromaticContact NE2-ND1 3.75Å; H665-H669 PolarHBondContact O-N 3.31Å; H665-H669 PolarHBondContact O-ND1 3.14Å; M666-H669 CarbonylContact O-C 3.56Å; M666-H669 PolarHBondContact O-N 3.02Å; M666-H669 VanDerWaalsContact O-N 3.09Å; K667-H669 PolarHBondContact O-N 2.97Å; K667-H669 VanDerWaalsContact O-N 3.15Å; H669-D671 PolarHBondContact O-N 3.44Å; H669-D671 VanDerWaalsContact O-N 3.15Å |
| 670 | E | 91.1 | Very high | 91.9 | Very high | 163 Ų | 163 | 53.4 Ų | 53.4 | 76% | 0.762 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.2 | 177.1 | -55.8 | 177.5 | 171.2 | 0 | 0 | 112.8 | M666 K667 R672 | M666-E670 PolarHBondContact O-N 2.65Å; K667-E670 PolarHBondContact O-N 2.88Å; E670-R672 PolarHBondContact O-N 3.29Å |
| 671 | D | 92.2 | Very high | 92 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -60 | 126.3 | 174.6 | 179.8 | -79.4 | 0 | 0 | 0 | 109.5 | M666 H669 A673 A674 M675 F696 R699 | M666-D671 HydrophobicContact CB-CB 3.87Å; M666-D671 WeakPolarHBondContact O-CB 3.47Å; M666-D671 PolarHBondContact O-N 2.7Å; H669-D671 PolarHBondContact O-N 3.44Å; H669-D671 VanDerWaalsContact O-N 3.15Å; D671-A673 VanDerWaalsContact C-N 3.29Å; D671-A673 PolarHBondContact O-N 3.18Å; D671-A673 WeakPolarHBondContact OD1-CB 3.14Å; D671-A673 PolarHBondContact OD1-N 2.94Å; D671-A674 HydrophobicContact CB-CB 4.03Å; D671-A674 PolarHBondContact O-N 3.38Å; D671-A674 PolarHBondContact OD1-N 2.94Å; D671-M675 WeakPolarHBondContact O-CG 3.33Å; D671-M675 PolarHBondContact O-N 3.22Å; D671-F696 VanDerWaalsContact OD1-CE2 3.28Å; D671-F696 WeakPolarHBondContact OD1-CE2 3.37Å; D671-R699 IonicContact OD2-NH2 3.45Å | ||
| 672 | R | 92.7 | Very high | 92.3 | Very high | 186 Ų | 186 | 56.2 Ų | 56.2 | 70% | 0.702 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -53.3 | -43.9 | -173.8 | -174.5 | -177 | -177.2 | -175.2 | 0.8 | 112.9 | E670 M675 A676 | E670-R672 PolarHBondContact O-N 3.29Å; R672-M675 PolarHBondContact O-N 3.04Å; R672-A676 VanDerWaalsContact O-CB 3.25Å; R672-A676 WeakPolarHBondContact O-CB 3.42Å; R672-A676 PolarHBondContact O-N 3.13Å |
| 673 | A | 91.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.4 | -36.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D671 N677 F696 | D671-A673 VanDerWaalsContact C-N 3.29Å; D671-A673 PolarHBondContact O-N 3.18Å; D671-A673 WeakPolarHBondContact OD1-CB 3.14Å; D671-A673 PolarHBondContact OD1-N 2.94Å; A673-N677 PolarHBondContact O-N 3.34Å; A673-N677 PolarHBondContact O-ND2 3Å; A673-F696 HydrophobicContact CB-CB 3.96Å; A673-F696 HydrophobicContact CB-CD1 4.27Å; A673-F696 HydrophobicContact CB-CD2 3.62Å; A673-F696 HydrophobicContact CB-CE2 4.2Å; A673-F696 HydrophobicContact CB-CG 3.69Å |
| 674 | A | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y663 M666 K667 D671 F696 | Y663-A674 HydrophobicContact CD2-CB 4.43Å; Y663-A674 HydrophobicContact CE2-CB 4.24Å; Y663-A674 PolarHBondContact OH-O 3.08Å; M666-A674 HydrophobicContact CB-CB 3.69Å; K667-A674 HydrophobicContact CG-CB 3.8Å; D671-A674 HydrophobicContact CB-CB 4.03Å; D671-A674 PolarHBondContact O-N 3.38Å; D671-A674 PolarHBondContact OD1-N 2.94Å; A674-F696 HydrophobicContact CB-CE1 4.4Å; A674-F696 HydrophobicContact CB-CE2 4.18Å; A674-F696 HydrophobicContact CB-CZ 3.65Å |
| 675 | M | 93.5 | Very high | 92.7 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -79 | -31.6 | 177.7 | -67.9 | -59.1 | -69.5 | 0 | 0 | 112.9 | K667 D671 R672 | K667-M675 HydrophobicContact CB-SD 4.44Å; D671-M675 WeakPolarHBondContact O-CG 3.33Å; D671-M675 PolarHBondContact O-N 3.22Å; R672-M675 PolarHBondContact O-N 3.04Å |
| 676 | A | 93.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -86.1 | -13.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R672 | R672-A676 VanDerWaalsContact O-CB 3.25Å; R672-A676 WeakPolarHBondContact O-CB 3.42Å; R672-A676 PolarHBondContact O-N 3.13Å |
| 677 | N | 92.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -134.2 | 139.5 | -173.7 | -56.9 | -87 | 0 | 0 | 0 | 110.8 | Y663 A673 D681 V682 I693 | Y663-N677 PolarHBondContact OH-O 3.45Å; A673-N677 PolarHBondContact O-N 3.34Å; A673-N677 PolarHBondContact O-ND2 3Å; N677-D681 HydrophobicContact CB-CB 4.31Å; N677-V682 HydrophobicContact CB-CG2 3.82Å; N677-I693 WeakPolarHBondContact OD1-CD1 3.24Å |
| 678 | D | 93.7 | Very high | 92.8 | Very high | 103 Ų | 103 | 72.9 Ų | 72.9 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | trans | -70.9 | 159.5 | 168.5 | -76.8 | -28.9 | 0 | 0 | 0 | 110.5 | I680 D681 V682 | D678-I680 PolarHBondContact O-N 2.69Å; D678-D681 PolarHBondContact N-OD2 3.41Å; D678-D681 PolarHBondContact O-N 3.28Å; D678-D681 VanDerWaalsContact O-N 3.13Å; D678-V682 PolarHBondContact O-N 3.19Å; D678-V682 VanDerWaalsContact O-N 3.15Å | ||
| 679 | F | 95.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | -175.1 | -173.9 | -130.8 | 0 | 0 | 0 | 111.7 | A659 Y660 Y663 D681 V682 L683 M789 A793 L797 | A659-F679 HydrophobicContact CB-CZ 4.33Å; Y660-F679 HydrophobicContact CD2-CB 4.47Å; Y660-F679 AromaticContact CD2-CD1 3.31Å; Y660-F679 HydrophobicContact CD2-CD1 3.31Å; Y660-F679 HydrophobicContact CD2-CD2 4.14Å; Y660-F679 AromaticContact CD2-CE1 3.35Å; Y660-F679 HydrophobicContact CD2-CE1 3.35Å; Y660-F679 HydrophobicContact CD2-CE2 4.17Å; Y660-F679 AromaticContact CD2-CG 3.73Å; Y660-F679 HydrophobicContact CD2-CG 3.73Å; Y660-F679 AromaticContact CD2-CZ 3.8Å; Y660-F679 HydrophobicContact CD2-CZ 3.8Å; Y660-F679 HydrophobicContact CE2-CB 4.31Å; Y660-F679 AromaticContact CE2-CD1 3.76Å; Y660-F679 HydrophobicContact CE2-CD1 3.76Å; Y660-F679 HydrophobicContact CE2-CE1 4.24Å; Y660-F679 HydrophobicContact CE2-CG 4.04Å; Y660-F679 HydrophobicContact CG-CD1 4.34Å; Y660-F679 AromaticContact CG-CE1 3.98Å; Y660-F679 HydrophobicContact CG-CE1 3.98Å; Y660-F679 HydrophobicContact CG-CZ 4.29Å; Y663-F679 HydrophobicContact CD1-CB 3.85Å; Y663-F679 AromaticContact CD1-CD2 3.61Å; Y663-F679 HydrophobicContact CD1-CD2 3.61Å; Y663-F679 HydrophobicContact CD1-CE2 4.42Å; Y663-F679 AromaticContact CD1-CG 3.93Å; Y663-F679 HydrophobicContact CD1-CG 3.93Å; Y663-F679 AromaticContact CD2-CD2 3.83Å; Y663-F679 HydrophobicContact CD2-CD2 3.83Å; Y663-F679 HydrophobicContact CE1-CB 3.64Å; Y663-F679 HydrophobicContact CE1-CD2 4.23Å; Y663-F679 HydrophobicContact CE1-CG 4.25Å; Y663-F679 HydrophobicContact CE2-CB 4.48Å; Y663-F679 HydrophobicContact CE2-CD2 4.41Å; Y663-F679 HydrophobicContact CG-CB 4.36Å; Y663-F679 AromaticContact CG-CD2 3.38Å; Y663-F679 HydrophobicContact CG-CD2 3.38Å; Y663-F679 AromaticContact CG-CE2 3.98Å; Y663-F679 HydrophobicContact CG-CE2 3.98Å; Y663-F679 HydrophobicContact CG-CG 4.17Å; Y663-F679 PolarHBondContact OH-N 3.4Å; F679-D681 VanDerWaalsContact C-N 3.33Å; F679-D681 PolarHBondContact O-N 3.19Å; F679-V682 WeakPolarHBondContact O-CB 3.41Å; F679-V682 PolarHBondContact O-N 2.95Å; F679-L683 HydrophobicContact CD1-CD1 3.96Å; F679-L683 HydrophobicContact CD1-CG 4.43Å; F679-L683 HydrophobicContact CD2-CG 4.41Å; F679-L683 HydrophobicContact CE1-CD1 3.7Å; F679-L683 HydrophobicContact CE1-CD2 4.37Å; F679-L683 HydrophobicContact CE1-CG 4.22Å; F679-L683 HydrophobicContact CE2-CD2 3.97Å; F679-L683 HydrophobicContact CE2-CG 4.21Å; F679-L683 HydrophobicContact CZ-CD1 4.03Å; F679-L683 HydrophobicContact CZ-CD2 3.83Å; F679-L683 HydrophobicContact CZ-CG 4.11Å; F679-L683 VanDerWaalsContact O-CG 3.28Å; F679-L683 WeakPolarHBondContact O-CG 3.49Å; F679-L683 PolarHBondContact O-N 2.79Å; F679-M789 HydrophobicContact CD1-CG 4.28Å; F679-M789 HydrophobicContact CE1-CE 4.48Å; F679-M789 HydrophobicContact CE1-CG 4.13Å; F679-M789 HydrophobicContact CE1-SD 4.06Å; F679-A793 HydrophobicContact CD1-CB 3.72Å; F679-A793 HydrophobicContact CE1-CB 4.09Å; F679-L797 HydrophobicContact CE1-CD1 3.75Å; F679-L797 HydrophobicContact CZ-CD1 3.89Å |
| 680 | I | 95.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 69.2 Ų | 69.2 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 179.5 | -167.6 | 62.5 | 0 | 0 | 0 | 112.4 | D678 V682 L683 Q684 E792 A793 W796 | D678-I680 PolarHBondContact O-N 2.69Å; I680-V682 VanDerWaalsContact C-N 3.35Å; I680-L683 HydrophobicContact CD1-CD1 4.4Å; I680-L683 WeakPolarHBondContact O-CB 3.3Å; I680-L683 PolarHBondContact O-N 3.01Å; I680-Q684 HydrophobicContact CD1-CG 4.2Å; I680-Q684 HydrophobicContact CG1-CG 4.28Å; I680-Q684 WeakPolarHBondContact O-CB 3.16Å; I680-Q684 WeakPolarHBondContact O-CG 3.41Å; I680-Q684 PolarHBondContact O-N 2.99Å; I680-E792 HydrophobicContact CD1-CG 3.96Å; I680-E792 HydrophobicContact CG1-CG 4.3Å; I680-A793 HydrophobicContact CD1-CB 4.17Å; I680-W796 HydrophobicContact CD1-CB 4.35Å |
| 681 | D | 94.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.2 | -58.8 | -38.3 | 0 | 0 | 0 | 110.9 | N677 D678 F679 L683 Q684 A685 | N677-D681 HydrophobicContact CB-CB 4.31Å; D678-D681 PolarHBondContact N-OD2 3.41Å; D678-D681 PolarHBondContact O-N 3.28Å; D678-D681 VanDerWaalsContact O-N 3.13Å; F679-D681 VanDerWaalsContact C-N 3.33Å; F679-D681 PolarHBondContact O-N 3.19Å; D681-L683 VanDerWaalsContact C-N 3.31Å; D681-L683 PolarHBondContact O-N 2.91Å; D681-Q684 PolarHBondContact O-N 2.82Å; D681-A685 WeakPolarHBondContact O-CB 3.16Å; D681-A685 PolarHBondContact O-N 2.61Å |
| 682 | V | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -43 | 172.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | Y663 N677 D678 F679 I680 A685 F696 H697 C700 | Y663-V682 HydrophobicContact CD2-CG2 4.5Å; Y663-V682 HydrophobicContact CE2-CG2 4.21Å; N677-V682 HydrophobicContact CB-CG2 3.82Å; D678-V682 PolarHBondContact O-N 3.19Å; D678-V682 VanDerWaalsContact O-N 3.15Å; F679-V682 WeakPolarHBondContact O-CB 3.41Å; F679-V682 PolarHBondContact O-N 2.95Å; I680-V682 VanDerWaalsContact C-N 3.35Å; V682-A685 WeakPolarHBondContact O-CB 3.4Å; V682-F696 HydrophobicContact CB-CD1 4.28Å; V682-F696 HydrophobicContact CB-CE1 4.44Å; V682-F696 HydrophobicContact CG1-CD1 3.51Å; V682-F696 HydrophobicContact CG1-CE1 3.8Å; V682-F696 HydrophobicContact CG2-CD1 3.73Å; V682-F696 HydrophobicContact CG2-CE1 3.8Å; V682-H697 WeakPolarHBondContact O-CB 3.45Å; V682-H697 PolarHBondContact O-ND1 3.2Å; V682-C700 HydrophobicContact CG1-CB 4.4Å |
| 683 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 179.2 | -66.5 | -179.5 | 0 | 0 | 0 | 112 | F679 I680 D681 A685 H697 L701 A793 W796 L797 | F679-L683 HydrophobicContact CD1-CD1 3.96Å; F679-L683 HydrophobicContact CD1-CG 4.43Å; F679-L683 HydrophobicContact CD2-CG 4.41Å; F679-L683 HydrophobicContact CE1-CD1 3.7Å; F679-L683 HydrophobicContact CE1-CD2 4.37Å; F679-L683 HydrophobicContact CE1-CG 4.22Å; F679-L683 HydrophobicContact CE2-CD2 3.97Å; F679-L683 HydrophobicContact CE2-CG 4.21Å; F679-L683 HydrophobicContact CZ-CD1 4.03Å; F679-L683 HydrophobicContact CZ-CD2 3.83Å; F679-L683 HydrophobicContact CZ-CG 4.11Å; F679-L683 VanDerWaalsContact O-CG 3.28Å; F679-L683 WeakPolarHBondContact O-CG 3.49Å; F679-L683 PolarHBondContact O-N 2.79Å; I680-L683 HydrophobicContact CD1-CD1 4.4Å; I680-L683 WeakPolarHBondContact O-CB 3.3Å; I680-L683 PolarHBondContact O-N 3.01Å; D681-L683 VanDerWaalsContact C-N 3.31Å; D681-L683 PolarHBondContact O-N 2.91Å; L683-A685 VanDerWaalsContact C-N 3.32Å; L683-A685 PolarHBondContact O-N 3.14Å; L683-H697 PolarHBondContact O-CE1 3.17Å; L683-H697 PolarHBondContact O-ND1 2.75Å; L683-L701 HydrophobicContact CD2-CD2 3.71Å; L683-L701 HydrophobicContact CD2-CG 4.41Å; L683-A793 HydrophobicContact CD1-CB 3.77Å; L683-W796 HydrophobicContact CB-CD2 3.97Å; L683-W796 HydrophobicContact CB-CE3 3.72Å; L683-W796 HydrophobicContact CB-CH2 4.29Å; L683-W796 HydrophobicContact CB-CZ2 4.5Å; L683-W796 HydrophobicContact CB-CZ3 3.9Å; L683-W796 HydrophobicContact CD1-CD2 4.48Å; L683-W796 HydrophobicContact CD1-CE3 3.97Å; L683-W796 HydrophobicContact CD2-CE3 4.13Å; L683-W796 HydrophobicContact CD2-CZ3 3.97Å; L683-W796 HydrophobicContact CG-CE3 4.16Å; L683-W796 HydrophobicContact CG-CZ3 4.38Å; L683-W796 WeakPolarHBondContact O-CH2 3.49Å; L683-W796 WeakPolarHBondContact O-CZ2 3.38Å; L683-L797 HydrophobicContact CD1-CD1 4.08Å; L683-L797 HydrophobicContact CD1-CD2 4.27Å; L683-L797 HydrophobicContact CD1-CG 3.82Å; L683-L797 HydrophobicContact CD2-CD2 3.63Å; L683-L797 HydrophobicContact CD2-CG 4.13Å |
| 684 | Q | 95.1 | Very high | 93 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -83.8 | -6.4 | -176.6 | -64.8 | -176.9 | 5.5 | 0 | 0 | 113.8 | I680 D681 K686 | I680-Q684 HydrophobicContact CD1-CG 4.2Å; I680-Q684 HydrophobicContact CG1-CG 4.28Å; I680-Q684 WeakPolarHBondContact O-CB 3.16Å; I680-Q684 WeakPolarHBondContact O-CG 3.41Å; I680-Q684 PolarHBondContact O-N 2.99Å; D681-Q684 PolarHBondContact O-N 2.82Å; Q684-K686 PolarHBondContact O-N 3.48Å |
| 685 | A | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 70.6 Ų | 70.6 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | trans | -53.2 | 132.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D681 V682 L683 I693 W694 H697 | D681-A685 WeakPolarHBondContact O-CB 3.16Å; D681-A685 PolarHBondContact O-N 2.61Å; V682-A685 WeakPolarHBondContact O-CB 3.4Å; L683-A685 VanDerWaalsContact C-N 3.32Å; L683-A685 PolarHBondContact O-N 3.14Å; A685-I693 HydrophobicContact CB-CD1 3.89Å; A685-I693 HydrophobicContact CB-CG1 3.82Å; A685-I693 HydrophobicContact CB-CG2 4.34Å; A685-W694 WeakPolarHBondContact O-CZ3 3.37Å; A685-H697 HydrophobicContact CB-CB 4.12Å | ||
| 686 | K | 92.1 | Very high | 93.1 | Very high | 136 Ų | 136 | 65.2 Ų | 65.2 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | trans | -106.3 | 169.6 | 174.6 | -55.2 | -178 | -179 | 175.1 | 0 | 109.7 | Q684 E688 S689 | Q684-K686 PolarHBondContact O-N 3.48Å; K686-E688 WeakPolarHBondContact CB-OE2 3.41Å; K686-E688 PolarHBondContact O-N 3.39Å; K686-S689 PolarHBondContact N-OG 3.49Å; K686-S689 VanDerWaalsContact O-CB 3.26Å; K686-S689 WeakPolarHBondContact O-CB 3.44Å; K686-S689 PolarHBondContact O-N 3.01Å; K686-S689 PolarHBondContact O-OG 3.39Å | ||
| 687 | E | 88.6 | Confident | 93.3 | Very high | 135 Ų | 135 | 62.1 Ų | 62.1 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -58.6 | -32.1 | 176.7 | -173.2 | 165.3 | -167.8 | 0 | 0 | 111.5 | S689 W694 | E687-S689 VanDerWaalsContact C-N 3.31Å; E687-S689 PolarHBondContact O-N 2.93Å; E687-W694 HydrophobicContact CB-CD2 4.14Å; E687-W694 HydrophobicContact CB-CG 4.36Å; E687-W694 HydrophobicContact CB-CZ2 4.29Å; E687-W694 HydrophobicContact CG-CG 4.48Å |
| 688 | E | 92.1 | Very high | 93.4 | Very high | 157 Ų | 157 | 64.1 Ų | 64.1 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -75.2 | -15.7 | 177.5 | -52.3 | 78.2 | -166.4 | 0 | 0 | 113.7 | K686 G690 | K686-E688 WeakPolarHBondContact CB-OE2 3.41Å; K686-E688 PolarHBondContact O-N 3.39Å; E688-G690 PolarHBondContact O-N 3.39Å |
| 689 | S | 89.2 | Confident | 93.3 | Very high | 69 Ų | 69 | 65.2 Ų | 65.2 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -70.1 | -11.3 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | K686 E687 I693 | K686-S689 PolarHBondContact N-OG 3.49Å; K686-S689 VanDerWaalsContact O-CB 3.26Å; K686-S689 WeakPolarHBondContact O-CB 3.44Å; K686-S689 PolarHBondContact O-N 3.01Å; K686-S689 PolarHBondContact O-OG 3.39Å; E687-S689 VanDerWaalsContact C-N 3.31Å; E687-S689 PolarHBondContact O-N 2.93Å; S689-I693 WeakPolarHBondContact O-CG2 3.26Å |
| 690 | G | 89.7 | Confident | 93.3 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | trans | 123 | 151.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E688 E692 I693 W694 | E688-G690 PolarHBondContact O-N 3.39Å; G690-E692 VanDerWaalsContact C-N 3.3Å; G690-E692 PolarHBondContact O-N 2.95Å; G690-I693 WeakPolarHBondContact O-CG2 2.8Å; G690-W694 WeakPolarHBondContact O-CB 3.47Å; G690-W694 PolarHBondContact O-N 2.55Å | ||
| 691 | P | 91.3 | Very high | 93.3 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.4 | -20.7 | -168.1 | 29.3 | -37.9 | 0 | 0 | 0 | 114.3 | R695 | P691-R695 WeakPolarHBondContact O-CD 3.3Å; P691-R695 VanDerWaalsContact O-CG 3.22Å; P691-R695 WeakPolarHBondContact O-CG 3.45Å; P691-R695 PolarHBondContact O-NH1 3.22Å |
| 692 | E | 91.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -81.2 | -55.2 | 177.8 | -174.1 | 173.2 | -169.5 | 0 | 0 | 111.5 | G690 W694 R695 F696 | G690-E692 VanDerWaalsContact C-N 3.3Å; G690-E692 PolarHBondContact O-N 2.95Å; E692-W694 VanDerWaalsContact C-N 3.31Å; E692-W694 PolarHBondContact O-N 3.46Å; E692-R695 PolarHBondContact O-N 2.79Å; E692-F696 PolarHBondContact O-N 3.03Å |
| 693 | I | 93.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 178.6 | -165.4 | 177.8 | 0 | 0 | 0 | 111.5 | N677 A685 S689 G690 R695 F696 H697 | N677-I693 WeakPolarHBondContact OD1-CD1 3.24Å; A685-I693 HydrophobicContact CB-CD1 3.89Å; A685-I693 HydrophobicContact CB-CG1 3.82Å; A685-I693 HydrophobicContact CB-CG2 4.34Å; S689-I693 WeakPolarHBondContact O-CG2 3.26Å; G690-I693 WeakPolarHBondContact O-CG2 2.8Å; I693-R695 PolarHBondContact O-N 3.29Å; I693-F696 WeakPolarHBondContact O-CB 3.4Å; I693-F696 PolarHBondContact O-N 3.45Å; I693-H697 WeakPolarHBondContact O-CB 3.15Å; I693-H697 PolarHBondContact O-N 2.96Å |
| 694 | W | 93.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.4 | 178.7 | -127.2 | 0 | 0 | 0 | 112.6 | A685 E687 G690 E692 F696 H697 Q698 | A685-W694 WeakPolarHBondContact O-CZ3 3.37Å; E687-W694 HydrophobicContact CB-CD2 4.14Å; E687-W694 HydrophobicContact CB-CG 4.36Å; E687-W694 HydrophobicContact CB-CZ2 4.29Å; E687-W694 HydrophobicContact CG-CG 4.48Å; G690-W694 WeakPolarHBondContact O-CB 3.47Å; G690-W694 PolarHBondContact O-N 2.55Å; E692-W694 VanDerWaalsContact C-N 3.31Å; E692-W694 PolarHBondContact O-N 3.46Å; W694-F696 VanDerWaalsContact C-N 3.3Å; W694-F696 PolarHBondContact O-N 2.81Å; W694-H697 HydrophobicContact CE3-CB 4.3Å; W694-H697 AromaticContact CE3-CD2 3.66Å; W694-H697 AromaticContact CH2-CD2 3.99Å; W694-H697 AromaticContact CZ3-CD2 3.26Å; W694-H697 WeakPolarHBondContact CZ3-CD2 3.15Å; W694-H697 AromaticContact CZ3-NE2 3.51Å; W694-H697 WeakPolarHBondContact O-CB 3.31Å; W694-H697 PolarHBondContact O-N 3.45Å; W694-Q698 HydrophobicContact CD2-CG 4.31Å; W694-Q698 HydrophobicContact CZ2-CG 4.14Å; W694-Q698 WeakPolarHBondContact O-CG 3.35Å; W694-Q698 PolarHBondContact O-N 2.76Å |
| 695 | R | 92.7 | Very high | 93.1 | Very high | 151 Ų | 151 | 59.8 Ų | 59.8 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 173.8 | -76.1 | -178.4 | -172 | 103.3 | -3.6 | 111.8 | P691 E692 I693 Q698 R699 | P691-R695 WeakPolarHBondContact O-CD 3.3Å; P691-R695 VanDerWaalsContact O-CG 3.22Å; P691-R695 WeakPolarHBondContact O-CG 3.45Å; P691-R695 PolarHBondContact O-NH1 3.22Å; E692-R695 PolarHBondContact O-N 2.79Å; I693-R695 PolarHBondContact O-N 3.29Å; R695-Q698 PolarHBondContact O-N 2.67Å; R695-R699 WeakPolarHBondContact O-CG 3.43Å; R695-R699 PolarHBondContact O-N 3.34Å |
| 696 | F | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 177.6 | -168.2 | -95.4 | 0 | 0 | 0 | 111.5 | W662 Y663 M666 D671 A673 A674 V682 E692 I693 W694 Q698 R699 C700 | W662-F696 HydrophobicContact CE3-CZ 4.43Å; W662-F696 AromaticContact CH2-CD2 3.81Å; W662-F696 HydrophobicContact CH2-CD2 3.81Å; W662-F696 HydrophobicContact CH2-CE1 4.31Å; W662-F696 AromaticContact CH2-CE2 3.49Å; W662-F696 HydrophobicContact CH2-CE2 3.49Å; W662-F696 VanDerWaalsContact CH2-CE2 3.49Å; W662-F696 HydrophobicContact CH2-CG 4.31Å; W662-F696 AromaticContact CH2-CZ 3.76Å; W662-F696 HydrophobicContact CH2-CZ 3.76Å; W662-F696 HydrophobicContact CZ3-CD1 4.25Å; W662-F696 HydrophobicContact CZ3-CD2 4.23Å; W662-F696 AromaticContact CZ3-CE1 3.76Å; W662-F696 HydrophobicContact CZ3-CE1 3.76Å; W662-F696 AromaticContact CZ3-CE2 3.72Å; W662-F696 HydrophobicContact CZ3-CE2 3.72Å; W662-F696 HydrophobicContact CZ3-CG 4.45Å; W662-F696 AromaticContact CZ3-CZ 3.44Å; W662-F696 HydrophobicContact CZ3-CZ 3.44Å; W662-F696 VanDerWaalsContact CZ3-CZ 3.44Å; Y663-F696 AromaticContact CD2-CE1 3.91Å; Y663-F696 HydrophobicContact CD2-CE1 3.91Å; Y663-F696 HydrophobicContact CD2-CZ 4.21Å; Y663-F696 HydrophobicContact CE2-CE1 4.42Å; M666-F696 HydrophobicContact CB-CE2 3.98Å; M666-F696 HydrophobicContact CB-CZ 3.86Å; M666-F696 HydrophobicContact CG-CE2 3.83Å; M666-F696 HydrophobicContact CG-CZ 3.91Å; D671-F696 VanDerWaalsContact OD1-CE2 3.28Å; D671-F696 WeakPolarHBondContact OD1-CE2 3.37Å; A673-F696 HydrophobicContact CB-CB 3.96Å; A673-F696 HydrophobicContact CB-CD1 4.27Å; A673-F696 HydrophobicContact CB-CD2 3.62Å; A673-F696 HydrophobicContact CB-CE2 4.2Å; A673-F696 HydrophobicContact CB-CG 3.69Å; A674-F696 HydrophobicContact CB-CE1 4.4Å; A674-F696 HydrophobicContact CB-CE2 4.18Å; A674-F696 HydrophobicContact CB-CZ 3.65Å; V682-F696 HydrophobicContact CB-CD1 4.28Å; V682-F696 HydrophobicContact CB-CE1 4.44Å; V682-F696 HydrophobicContact CG1-CD1 3.51Å; V682-F696 HydrophobicContact CG1-CE1 3.8Å; V682-F696 HydrophobicContact CG2-CD1 3.73Å; V682-F696 HydrophobicContact CG2-CE1 3.8Å; E692-F696 PolarHBondContact O-N 3.03Å; I693-F696 WeakPolarHBondContact O-CB 3.4Å; I693-F696 PolarHBondContact O-N 3.45Å; W694-F696 VanDerWaalsContact C-N 3.3Å; W694-F696 PolarHBondContact O-N 2.81Å; F696-Q698 PolarHBondContact O-N 3.45Å; F696-R699 PolarHBondContact O-N 2.81Å; F696-C700 WeakPolarHBondContact O-CB 3.48Å; F696-C700 PolarHBondContact O-N 2.79Å |
| 697 | H | 96.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.9 | -51 | 169.4 | 169.8 | 99 | 0 | 0 | 0 | 111.8 | V682 L683 A685 I693 W694 R699 C700 L701 | V682-H697 WeakPolarHBondContact O-CB 3.45Å; V682-H697 PolarHBondContact O-ND1 3.2Å; L683-H697 PolarHBondContact O-CE1 3.17Å; L683-H697 PolarHBondContact O-ND1 2.75Å; A685-H697 HydrophobicContact CB-CB 4.12Å; I693-H697 WeakPolarHBondContact O-CB 3.15Å; I693-H697 PolarHBondContact O-N 2.96Å; W694-H697 HydrophobicContact CE3-CB 4.3Å; W694-H697 AromaticContact CE3-CD2 3.66Å; W694-H697 AromaticContact CH2-CD2 3.99Å; W694-H697 AromaticContact CZ3-CD2 3.26Å; W694-H697 WeakPolarHBondContact CZ3-CD2 3.15Å; W694-H697 AromaticContact CZ3-NE2 3.51Å; W694-H697 WeakPolarHBondContact O-CB 3.31Å; W694-H697 PolarHBondContact O-N 3.45Å; H697-R699 PolarHBondContact O-N 3.47Å; H697-C700 VanDerWaalsContact O-CB 3.32Å; H697-C700 WeakPolarHBondContact O-CB 3.32Å; H697-C700 PolarHBondContact O-N 3.08Å; H697-C700 VanDerWaalsContact O-N 3.13Å; H697-L701 WeakPolarHBondContact CE1-CD1 3.29Å; H697-L701 PolarHBondContact O-N 3.42Å |
| 698 | Q | 94.4 | Very high | 93.5 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 179.6 | -71.8 | -178.7 | -41.1 | 0 | 0 | 112.6 | W694 R695 F696 C700 L701 V702 | W694-Q698 HydrophobicContact CD2-CG 4.31Å; W694-Q698 HydrophobicContact CZ2-CG 4.14Å; W694-Q698 WeakPolarHBondContact O-CG 3.35Å; W694-Q698 PolarHBondContact O-N 2.76Å; R695-Q698 PolarHBondContact O-N 2.67Å; F696-Q698 PolarHBondContact O-N 3.45Å; Q698-C700 PolarHBondContact O-N 2.93Å; Q698-L701 PolarHBondContact O-N 2.92Å; Q698-V702 HydrophobicContact CB-CG2 4.25Å; Q698-V702 VanDerWaalsContact O-CB 3.27Å; Q698-V702 WeakPolarHBondContact O-CB 3.29Å; Q698-V702 WeakPolarHBondContact O-CG2 3.34Å; Q698-V702 PolarHBondContact O-N 2.8Å |
| 699 | R | 92.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 45 Ų | 45 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.4 | -30.1 | 175.9 | -70.9 | -169.8 | -62.3 | 165.3 | 2.4 | 112.8 | R658 W662 D671 R695 F696 H697 P703 | R658-R699 PolarHBondContact NH1-O 2.84Å; R658-R699 VanDerWaalsContact NH1-O 3.17Å; W662-R699 HydrophobicContact CH2-CB 3.69Å; W662-R699 HydrophobicContact CZ2-CB 3.67Å; D671-R699 IonicContact OD2-NH2 3.45Å; R695-R699 WeakPolarHBondContact O-CG 3.43Å; R695-R699 PolarHBondContact O-N 3.34Å; F696-R699 PolarHBondContact O-N 2.81Å; H697-R699 PolarHBondContact O-N 3.47Å; R699-P703 WeakPolarHBondContact O-CD 3.47Å; R699-P703 WeakPolarHBondContact O-CG 3.47Å |
| 700 | C | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.1 | -43.7 | 175.8 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | R658 A659 W662 V682 F696 H697 Q698 | R658-C700 PolarHBondContact NH1-O 3.32Å; A659-C700 PolarHBondContact O-SG 3.08Å; W662-C700 HydrophobicContact CE3-CB 3.73Å; W662-C700 HydrophobicContact CZ3-CB 3.6Å; V682-C700 HydrophobicContact CG1-CB 4.4Å; F696-C700 WeakPolarHBondContact O-CB 3.48Å; F696-C700 PolarHBondContact O-N 2.79Å; H697-C700 VanDerWaalsContact O-CB 3.32Å; H697-C700 WeakPolarHBondContact O-CB 3.32Å; H697-C700 PolarHBondContact O-N 3.08Å; H697-C700 VanDerWaalsContact O-N 3.13Å; Q698-C700 PolarHBondContact O-N 2.93Å |
| 701 | L | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -99.8 | -43.4 | -168.2 | -64.3 | -173.9 | 0 | 0 | 0 | 115.5 | A659 L683 H697 Q698 P703 G704 W796 L797 Y800 Y801 | A659-L701 HydrophobicContact CB-CD2 4.22Å; L683-L701 HydrophobicContact CD2-CD2 3.71Å; L683-L701 HydrophobicContact CD2-CG 4.41Å; H697-L701 WeakPolarHBondContact CE1-CD1 3.29Å; H697-L701 PolarHBondContact O-N 3.42Å; Q698-L701 PolarHBondContact O-N 2.92Å; L701-P703 VanDerWaalsContact C-CD 3.5Å; L701-G704 WeakPolarHBondContact O-CA 3.44Å; L701-G704 PolarHBondContact O-N 3.29Å; L701-W796 HydrophobicContact CD1-CH2 3.56Å; L701-W796 HydrophobicContact CD1-CZ3 3.63Å; L701-W796 HydrophobicContact CD2-CZ3 4.31Å; L701-L797 HydrophobicContact CD2-CD2 3.58Å; L701-Y800 HydrophobicContact CB-CE1 3.87Å; L701-Y800 HydrophobicContact CD1-CD1 4.24Å; L701-Y800 HydrophobicContact CD1-CD2 4.25Å; L701-Y800 HydrophobicContact CD1-CE1 3.88Å; L701-Y800 HydrophobicContact CD1-CE2 3.88Å; L701-Y800 HydrophobicContact CD1-CG 4.42Å; L701-Y800 HydrophobicContact CD2-CD1 4.49Å; L701-Y800 HydrophobicContact CD2-CE1 4.37Å; L701-Y800 HydrophobicContact CG-CE1 4.28Å; L701-Y801 VanDerWaalsContact CA-OH 3.28Å; L701-Y801 WeakPolarHBondContact CA-OH 3.44Å; L701-Y801 HydrophobicContact CD2-CE2 4.33Å; L701-Y801 PolarHBondContact O-OH 3.28Å |
| 702 | V | 93.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 34% | 0.339 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -58 | -41.5 | -171.8 | 174.3 | 0 | 0 | 0 | 0 | 113 | Q698 G704 H705 H709 | Q698-V702 HydrophobicContact CB-CG2 4.25Å; Q698-V702 VanDerWaalsContact O-CB 3.27Å; Q698-V702 WeakPolarHBondContact O-CB 3.29Å; Q698-V702 WeakPolarHBondContact O-CG2 3.34Å; Q698-V702 PolarHBondContact O-N 2.8Å; V702-G704 PolarHBondContact O-N 3.04Å; V702-H705 VanDerWaalsContact O-CB 3.28Å; V702-H705 WeakPolarHBondContact O-CB 3.27Å; V702-H705 VanDerWaalsContact O-CG 3.25Å; V702-H705 PolarHBondContact O-N 2.92Å; V702-H709 PolarHBondContact O-NE2 3.18Å; V702-H709 VanDerWaalsContact O-NE2 3.11Å |
| 703 | P | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -62 | -14.7 | 177.3 | -23.4 | 35.3 | 0 | 0 | 0 | 114.1 | D631 R699 L701 H705 Y706 | D631-P703 HydrophobicContact CB-CB 4.07Å; D631-P703 WeakPolarHBondContact OD2-CG 3.5Å; R699-P703 WeakPolarHBondContact O-CD 3.47Å; R699-P703 WeakPolarHBondContact O-CG 3.47Å; L701-P703 VanDerWaalsContact C-CD 3.5Å; P703-H705 VanDerWaalsContact C-N 3.29Å; P703-Y706 WeakPolarHBondContact O-CD1 3.43Å; P703-Y706 VanDerWaalsContact O-CE1 3.28Å; P703-Y706 WeakPolarHBondContact O-CE1 3.35Å |
| 704 | G | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -76.2 | -6.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L701 V702 Y706 | L701-G704 WeakPolarHBondContact O-CA 3.44Å; L701-G704 PolarHBondContact O-N 3.29Å; V702-G704 PolarHBondContact O-N 3.04Å; G704-Y706 WeakPolarHBondContact O-CD1 3.41Å; G704-Y706 PolarHBondContact O-N 2.93Å |
| 705 | H | 94.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.125 | 18% | 0.183 | C | C | . | . | trans | -80.1 | 61.5 | -179.9 | -59.9 | 174.9 | 0 | 0 | 0 | 111.3 | V702 P703 S707 H708 H709 Y800 Y801 H804 | V702-H705 VanDerWaalsContact O-CB 3.28Å; V702-H705 WeakPolarHBondContact O-CB 3.27Å; V702-H705 VanDerWaalsContact O-CG 3.25Å; V702-H705 PolarHBondContact O-N 2.92Å; P703-H705 VanDerWaalsContact C-N 3.29Å; H705-S707 PolarHBondContact O-N 2.99Å; H705-H708 HydrophobicContact CB-CB 4.15Å; H705-H708 WeakPolarHBondContact O-CB 3.43Å; H705-H708 PolarHBondContact O-N 3.11Å; H705-H709 PolarHBondContact O-CD2 3.04Å; H705-H709 VanDerWaalsContact O-CD2 3.28Å; H705-H709 PolarHBondContact O-N 2.71Å; H705-Y800 PolarHBondContact CE1-OH 2.95Å; H705-Y800 AromaticContact NE2-CE1 3.64Å; H705-Y800 AromaticContact NE2-CZ 3.66Å; H705-Y800 PolarHBondContact NE2-OH 3.34Å; H705-Y801 AromaticContact CD2-CE1 3.92Å; H705-H804 AromaticContact CD2-CD2 3.96Å; H705-H804 AromaticContact CD2-CE1 3.56Å; H705-H804 AromaticContact CD2-CG 3.96Å; H705-H804 AromaticContact CD2-ND1 3.73Å; H705-H804 AromaticContact CD2-NE2 3.72Å; H705-H804 AromaticContact CE1-CE1 3.73Å; H705-H804 AromaticContact CE1-NE2 3.94Å; H705-H804 AromaticContact CG-CE1 3.67Å; H705-H804 AromaticContact CG-ND1 3.78Å; H705-H804 AromaticContact ND1-CE1 3.77Å; H705-H804 AromaticContact NE2-CE1 3.62Å; H705-H804 AromaticContact NE2-NE2 3.51Å | ||
| 706 | Y | 95.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | -166.5 | -57.3 | -23.7 | 0 | 0 | 0 | 114.6 | P544 F630 L652 I653 P655 P703 G704 H708 H709 L710 L808 W822 | P544-Y706 HydrophobicContact CB-CE1 3.64Å; P544-Y706 HydrophobicContact CG-CE1 3.62Å; F630-Y706 AromaticContact CE1-CD1 3.67Å; F630-Y706 HydrophobicContact CE1-CD1 3.67Å; F630-Y706 HydrophobicContact CE1-CE1 4.25Å; F630-Y706 HydrophobicContact CE1-CG 4.48Å; F630-Y706 HydrophobicContact CZ-CD1 4.06Å; F630-Y706 HydrophobicContact CZ-CG 4.46Å; L652-Y706 HydrophobicContact CD2-CD1 4.46Å; L652-Y706 HydrophobicContact CD2-CD2 4.11Å; L652-Y706 HydrophobicContact CD2-CG 4.05Å; I653-Y706 WeakPolarHBondContact O-CE2 3.32Å; I653-Y706 PolarHBondContact O-OH 2.66Å; I653-Y706 VanDerWaalsContact O-OH 3.13Å; P655-Y706 WeakPolarHBondContact CA-OH 3.42Å; P655-Y706 HydrophobicContact CB-CE2 3.97Å; P655-Y706 HydrophobicContact CG-CE2 4.26Å; P703-Y706 WeakPolarHBondContact O-CD1 3.43Å; P703-Y706 VanDerWaalsContact O-CE1 3.28Å; P703-Y706 WeakPolarHBondContact O-CE1 3.35Å; G704-Y706 WeakPolarHBondContact O-CD1 3.41Å; G704-Y706 PolarHBondContact O-N 2.93Å; Y706-H708 VanDerWaalsContact C-N 3.3Å; Y706-H708 PolarHBondContact O-N 2.78Å; Y706-H709 PolarHBondContact O-N 2.97Å; Y706-L710 VanDerWaalsContact O-CB 3.3Å; Y706-L710 WeakPolarHBondContact O-CB 3.19Å; Y706-L710 WeakPolarHBondContact O-CG 3.4Å; Y706-L710 PolarHBondContact O-N 3.37Å; Y706-L808 HydrophobicContact CD2-CD2 3.86Å; Y706-L808 HydrophobicContact CG-CD2 4.49Å; Y706-W822 AromaticContact CD2-CH2 3.99Å; Y706-W822 HydrophobicContact CD2-CH2 3.99Å; Y706-W822 AromaticContact CE2-CH2 3.87Å; Y706-W822 HydrophobicContact CE2-CH2 3.87Å; Y706-W822 HydrophobicContact CE2-CZ2 4.36Å |
| 707 | S | 94.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 177 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | H705 E711 H804 | H705-S707 PolarHBondContact O-N 2.99Å; S707-E711 WeakPolarHBondContact O-CB 3.45Å; S707-E711 WeakPolarHBondContact O-CG 3.22Å; S707-E711 PolarHBondContact O-N 3.11Å; S707-H804 PolarHBondContact OG-O 3.43Å |
| 708 | H | 92 | Very high | 94.5 | Very high | 104 Ų | 104 | 36.7 Ų | 36.7 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 176.6 | 176.1 | 80.6 | 0 | 0 | 0 | 111.8 | H705 Y706 E711 R712 | H705-H708 HydrophobicContact CB-CB 4.15Å; H705-H708 WeakPolarHBondContact O-CB 3.43Å; H705-H708 PolarHBondContact O-N 3.11Å; Y706-H708 VanDerWaalsContact C-N 3.3Å; Y706-H708 PolarHBondContact O-N 2.78Å; H708-E711 PolarHBondContact O-N 3.1Å; H708-R712 PolarHBondContact CD2-NH2 3.31Å; H708-R712 PolarHBondContact NE2-NH2 3.2Å; H708-R712 PolarHBondContact O-N 3.48Å; H708-R712 VanDerWaalsContact O-N 3.15Å |
| 709 | H | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | -180 | -61 | -51 | 0 | 0 | 0 | 112.1 | F630 V702 H705 Y706 E711 R712 W713 | F630-H709 HydrophobicContact CD1-CB 4.35Å; F630-H709 HydrophobicContact CE1-CB 3.89Å; F630-H709 AromaticContact CE1-CD2 3.92Å; F630-H709 HydrophobicContact CE2-CB 4.31Å; F630-H709 HydrophobicContact CZ-CB 3.87Å; V702-H709 PolarHBondContact O-NE2 3.18Å; V702-H709 VanDerWaalsContact O-NE2 3.11Å; H705-H709 PolarHBondContact O-CD2 3.04Å; H705-H709 VanDerWaalsContact O-CD2 3.28Å; H705-H709 PolarHBondContact O-N 2.71Å; Y706-H709 PolarHBondContact O-N 2.97Å; H709-E711 PolarHBondContact O-N 3.07Å; H709-R712 PolarHBondContact ND1-NH1 3.39Å; H709-R712 VanDerWaalsContact O-CB 3.27Å; H709-R712 WeakPolarHBondContact O-CB 3.43Å; H709-R712 PolarHBondContact O-N 3.05Å; H709-R712 VanDerWaalsContact O-N 3.13Å; H709-W713 VanDerWaalsContact O-CD1 3.24Å; H709-W713 PolarHBondContact O-N 2.94Å |
| 710 | L | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.8 | -77.5 | 171.7 | 0 | 0 | 0 | 112.4 | F630 V650 L652 Y706 R712 W713 L714 I724 L808 L811 | F630-L710 HydrophobicContact CE2-CD2 4.18Å; F630-L710 HydrophobicContact CE2-CG 4.25Å; F630-L710 HydrophobicContact CZ-CG 4.41Å; V650-L710 HydrophobicContact CG1-CD2 4.18Å; V650-L710 HydrophobicContact CG2-CD2 4.27Å; L652-L710 HydrophobicContact CD1-CD1 4.16Å; Y706-L710 VanDerWaalsContact O-CB 3.3Å; Y706-L710 WeakPolarHBondContact O-CB 3.19Å; Y706-L710 WeakPolarHBondContact O-CG 3.4Å; Y706-L710 PolarHBondContact O-N 3.37Å; L710-R712 PolarHBondContact O-N 2.91Å; L710-W713 PolarHBondContact O-N 3.37Å; L710-L714 WeakPolarHBondContact O-CB 3.38Å; L710-L714 WeakPolarHBondContact O-CD1 3.28Å; L710-L714 VanDerWaalsContact O-CG 3.26Å; L710-L714 WeakPolarHBondContact O-CG 3.23Å; L710-L714 PolarHBondContact O-N 3.46Å; L710-I724 HydrophobicContact CD1-CD1 4.1Å; L710-I724 HydrophobicContact CD2-CD1 4.23Å; L710-L808 HydrophobicContact CD1-CD1 3.74Å; L710-L811 HydrophobicContact CB-CD2 3.67Å; L710-L811 HydrophobicContact CD1-CD2 4.07Å |
| 711 | E | 93 | Very high | 94.8 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.4 | -35.1 | 174.6 | -75.6 | -148.3 | 149.1 | 0 | 0 | 111.9 | R60 S707 H708 H709 L714 S715 L811 R814 | R60-E711 IonicContact NH2-OE2 2.67Å; S707-E711 WeakPolarHBondContact O-CB 3.45Å; S707-E711 WeakPolarHBondContact O-CG 3.22Å; S707-E711 PolarHBondContact O-N 3.11Å; H708-E711 PolarHBondContact O-N 3.1Å; H709-E711 PolarHBondContact O-N 3.07Å; E711-L714 PolarHBondContact O-N 3.11Å; E711-S715 PolarHBondContact O-N 2.97Å; E711-L811 HydrophobicContact CG-CD1 4.29Å; E711-L811 HydrophobicContact CG-CD2 4.23Å; E711-R814 IonicContact OE1-CZ 2.7Å; E711-R814 IonicContact OE1-NH1 3.18Å; E711-R814 IonicContact OE1-NH2 3.92Å; E711-R814 PolarHBondContact OE1-NH2 3.09Å |
| 712 | R | 92.8 | Very high | 94.9 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 173.6 | -166.7 | -170.1 | -57.1 | 154.4 | -11.3 | 111.4 | D631 D633 P636 H708 H709 L710 L714 S715 H716 | D631-R712 PolarHBondContact O-NH1 3.3Å; D633-R712 IonicContact OD1-CZ 3.91Å; D633-R712 IonicContact OD1-NE 2.74Å; D633-R712 IonicContact OD1-NH1 3.32Å; D633-R712 PolarHBondContact OD1-NH1 3.11Å; D633-R712 IonicContact OD1-NH2 3.01Å; D633-R712 PolarHBondContact OD1-NH2 3.19Å; P636-R712 HydrophobicContact CG-CG 4.26Å; H708-R712 PolarHBondContact CD2-NH2 3.31Å; H708-R712 PolarHBondContact NE2-NH2 3.2Å; H708-R712 PolarHBondContact O-N 3.48Å; H708-R712 VanDerWaalsContact O-N 3.15Å; H709-R712 PolarHBondContact ND1-NH1 3.39Å; H709-R712 VanDerWaalsContact O-CB 3.27Å; H709-R712 WeakPolarHBondContact O-CB 3.43Å; H709-R712 PolarHBondContact O-N 3.05Å; H709-R712 VanDerWaalsContact O-N 3.13Å; L710-R712 PolarHBondContact O-N 2.91Å; R712-L714 VanDerWaalsContact C-N 3.34Å; R712-L714 PolarHBondContact O-N 3.11Å; R712-S715 WeakPolarHBondContact O-CB 3.48Å; R712-S715 PolarHBondContact O-N 3.15Å; R712-S715 VanDerWaalsContact O-N 3.1Å; R712-S715 PolarHBondContact O-OG 3.36Å; R712-H716 PolarHBondContact O-CD2 3.44Å |
| 713 | W | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.9 | -79.6 | 95.1 | 0 | 0 | 0 | 112.1 | I540 V542 Y629 F630 A635 P636 V639 I648 H709 L710 S715 H716 F717 I722 | I540-W713 HydrophobicContact CD1-CH2 3.81Å; I540-W713 HydrophobicContact CD1-CZ3 4.04Å; V542-W713 HydrophobicContact CG1-CH2 4.3Å; V542-W713 HydrophobicContact CG1-CZ2 4.24Å; Y629-W713 WeakPolarHBondContact O-CZ2 3.32Å; F630-W713 PolarHBondContact O-NE1 2.96Å; F630-W713 VanDerWaalsContact O-NE1 3.07Å; A635-W713 HydrophobicContact CB-CZ2 4.45Å; P636-W713 HydrophobicContact CB-CD2 4.06Å; P636-W713 HydrophobicContact CB-CE3 4.01Å; P636-W713 HydrophobicContact CB-CG 4.46Å; P636-W713 HydrophobicContact CB-CZ3 4.43Å; P636-W713 HydrophobicContact CG-CD2 3.68Å; P636-W713 HydrophobicContact CG-CE3 4.1Å; P636-W713 HydrophobicContact CG-CG 3.95Å; P636-W713 HydrophobicContact CG-CZ2 4.19Å; V639-W713 HydrophobicContact CB-CZ3 4.42Å; V639-W713 HydrophobicContact CG1-CZ3 4.47Å; V639-W713 HydrophobicContact CG2-CH2 4.15Å; V639-W713 HydrophobicContact CG2-CZ3 4.45Å; I648-W713 HydrophobicContact CD1-CE3 3.58Å; I648-W713 HydrophobicContact CD1-CZ3 3.64Å; I648-W713 HydrophobicContact CG1-CZ3 4.3Å; I648-W713 HydrophobicContact CG2-CE3 4.44Å; I648-W713 HydrophobicContact CG2-CZ3 4.39Å; H709-W713 VanDerWaalsContact O-CD1 3.24Å; H709-W713 PolarHBondContact O-N 2.94Å; L710-W713 PolarHBondContact O-N 3.37Å; W713-S715 PolarHBondContact O-N 3.48Å; W713-H716 PolarHBondContact O-N 2.98Å; W713-F717 AromaticContact CE3-CD2 3.95Å; W713-F717 HydrophobicContact CE3-CD2 3.95Å; W713-F717 AromaticContact CE3-CE2 3.93Å; W713-F717 HydrophobicContact CE3-CE2 3.93Å; W713-F717 HydrophobicContact CZ3-CD2 4.39Å; W713-F717 AromaticContact CZ3-CE2 3.94Å; W713-F717 HydrophobicContact CZ3-CE2 3.94Å; W713-F717 PolarHBondContact O-N 3.03Å; W713-I722 HydrophobicContact CB-CD1 3.91Å |
| 714 | L | 94.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -18 | 176.6 | -70.5 | 161.7 | 0 | 0 | 0 | 113.6 | L710 E711 R712 H716 F717 A719 I722 L811 L815 | L710-L714 WeakPolarHBondContact O-CB 3.38Å; L710-L714 WeakPolarHBondContact O-CD1 3.28Å; L710-L714 VanDerWaalsContact O-CG 3.26Å; L710-L714 WeakPolarHBondContact O-CG 3.23Å; L710-L714 PolarHBondContact O-N 3.46Å; E711-L714 PolarHBondContact O-N 3.11Å; R712-L714 VanDerWaalsContact C-N 3.34Å; R712-L714 PolarHBondContact O-N 3.11Å; L714-H716 VanDerWaalsContact C-N 3.26Å; L714-F717 CarbonylContact C-O 3.46Å; L714-F717 WeakPolarHBondContact CA-O 3.4Å; L714-F717 VanDerWaalsContact O-O 3.12Å; L714-A719 HydrophobicContact CD2-CB 4.03Å; L714-I722 HydrophobicContact CD2-CD1 3.84Å; L714-I722 HydrophobicContact CG-CD1 4.04Å; L714-L811 HydrophobicContact CD1-CD1 4.01Å; L714-L815 HydrophobicContact CD1-CD1 3.83Å; L714-L815 HydrophobicContact CD1-CD2 4.21Å; L714-L815 HydrophobicContact CD2-CD2 4.17Å |
| 715 | S | 91.1 | Very high | 95.1 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -73.8 | -19.4 | 173 | 79.4 | 0 | 0 | 0 | 0 | 113 | E711 R712 W713 | E711-S715 PolarHBondContact O-N 2.97Å; R712-S715 WeakPolarHBondContact O-CB 3.48Å; R712-S715 PolarHBondContact O-N 3.15Å; R712-S715 VanDerWaalsContact O-N 3.1Å; R712-S715 PolarHBondContact O-OG 3.36Å; W713-S715 PolarHBondContact O-N 3.48Å |
| 716 | H | 95.6 | Very high | 95 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 28% | 0.282 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -109.5 | -28.6 | 178.8 | -67.5 | -81 | 0 | 0 | 0 | 113.4 | P636 K640 R712 W713 L714 | P636-H716 HydrophobicContact CB-CB 4.26Å; K640-H716 HydrophobicContact CB-CB 4.13Å; K640-H716 WeakPolarHBondContact CD-O 3.27Å; K640-H716 HydrophobicContact CG-CB 4.38Å; R712-H716 PolarHBondContact O-CD2 3.44Å; W713-H716 PolarHBondContact O-N 2.98Å; L714-H716 VanDerWaalsContact C-N 3.26Å |
| 717 | F | 96.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -121.2 | 139.7 | -176.9 | -66.8 | -87.3 | 0 | 0 | 0 | 111.9 | V639 K640 V646 I648 W713 L714 Q721 I722 | V639-F717 HydrophobicContact CB-CE2 4.47Å; V639-F717 HydrophobicContact CB-CZ 4.18Å; V639-F717 HydrophobicContact CG1-CE2 4.36Å; V639-F717 HydrophobicContact CG1-CZ 3.74Å; K640-F717 VanDerWaalsContact CA-CZ 3.44Å; K640-F717 HydrophobicContact CB-CE1 4.21Å; K640-F717 HydrophobicContact CB-CE2 3.81Å; K640-F717 HydrophobicContact CB-CZ 3.57Å; K640-F717 HydrophobicContact CD-CD1 3.9Å; K640-F717 HydrophobicContact CD-CE1 3.53Å; K640-F717 HydrophobicContact CD-CE2 4.41Å; K640-F717 HydrophobicContact CD-CG 4.48Å; K640-F717 HydrophobicContact CD-CZ 3.83Å; K640-F717 HydrophobicContact CG-CE1 4.48Å; K640-F717 HydrophobicContact CG-CZ 4.29Å; V646-F717 HydrophobicContact CG1-CE1 3.88Å; V646-F717 HydrophobicContact CG1-CZ 4.18Å; I648-F717 HydrophobicContact CD1-CB 4.19Å; I648-F717 HydrophobicContact CD1-CD1 3.81Å; I648-F717 HydrophobicContact CD1-CD2 3.57Å; I648-F717 HydrophobicContact CD1-CE1 4.04Å; I648-F717 HydrophobicContact CD1-CE2 3.8Å; I648-F717 HydrophobicContact CD1-CG 3.57Å; I648-F717 HydrophobicContact CD1-CZ 4.02Å; W713-F717 AromaticContact CE3-CD2 3.95Å; W713-F717 HydrophobicContact CE3-CD2 3.95Å; W713-F717 AromaticContact CE3-CE2 3.93Å; W713-F717 HydrophobicContact CE3-CE2 3.93Å; W713-F717 HydrophobicContact CZ3-CD2 4.39Å; W713-F717 AromaticContact CZ3-CE2 3.94Å; W713-F717 HydrophobicContact CZ3-CE2 3.94Å; W713-F717 PolarHBondContact O-N 3.03Å; L714-F717 CarbonylContact C-O 3.46Å; L714-F717 WeakPolarHBondContact CA-O 3.4Å; L714-F717 VanDerWaalsContact O-O 3.12Å; F717-Q721 HydrophobicContact CB-CB 4.42Å; F717-Q721 HydrophobicContact CD1-CB 4.36Å; F717-I722 HydrophobicContact CB-CD1 4.23Å; F717-I722 HydrophobicContact CB-CG1 4.36Å |
| 718 | P | 95 | Very high | 94.5 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | trans | -64.1 | 148.6 | 168.5 | 31.8 | -35.6 | 0 | 0 | 0 | 109.9 | K720 Q721 | P718-K720 HydrophobicContact CB-CG 4.14Å; P718-K720 HydrophobicContact CG-CG 4.02Å; P718-K720 PolarHBondContact O-N 3.48Å; P718-Q721 HydrophobicContact CG-CB 4.29Å; P718-Q721 HydrophobicContact CG-CG 3.96Å; P718-Q721 PolarHBondContact O-N 2.85Å | ||
| 719 | A | 94.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -52.3 | -34.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L714 Q721 I722 L815 | L714-A719 HydrophobicContact CD2-CB 4.03Å; A719-Q721 PolarHBondContact O-N 3.32Å; A719-Q721 VanDerWaalsContact O-N 3.16Å; A719-I722 PolarHBondContact O-N 3.45Å; A719-L815 HydrophobicContact CB-CD2 3.81Å |
| 720 | K | 95.9 | Very high | 94.3 | Very high | 175 Ų | 175 | 37.5 Ų | 37.5 | 76% | 0.761 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -60.5 | -22.2 | 176.9 | 71 | 177.3 | -173.9 | 170.6 | 0 | 115 | P718 I722 | P718-K720 HydrophobicContact CB-CG 4.14Å; P718-K720 HydrophobicContact CG-CG 4.02Å; P718-K720 PolarHBondContact O-N 3.48Å; K720-I722 VanDerWaalsContact C-N 3.32Å |
| 721 | Q | 97.7 | Very high | 93.9 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -89.8 | 2.7 | 176.6 | -75.5 | -176 | -94.8 | 0 | 0 | 112.3 | P644 D645 V646 I648 F717 P718 A719 Y744 | P644-Q721 PolarHBondContact O-NE2 3.35Å; D645-Q721 VanDerWaalsContact C-NE2 3.32Å; V646-Q721 PolarHBondContact O-NE2 3.08Å; I648-Q721 WeakPolarHBondContact CB-O 3.41Å; I648-Q721 PolarHBondContact N-O 3.06Å; F717-Q721 HydrophobicContact CB-CB 4.42Å; F717-Q721 HydrophobicContact CD1-CB 4.36Å; P718-Q721 HydrophobicContact CG-CB 4.29Å; P718-Q721 HydrophobicContact CG-CG 3.96Å; P718-Q721 PolarHBondContact O-N 2.85Å; A719-Q721 PolarHBondContact O-N 3.32Å; A719-Q721 VanDerWaalsContact O-N 3.16Å; Q721-Y744 PolarHBondContact O-OH 2.89Å |
| 722 | I | 97.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.3 | 179.4 | -59.4 | 177.6 | 0 | 0 | 0 | 108.5 | I648 V650 W713 L714 F717 A719 K720 I724 Y817 | I648-I722 HydrophobicContact CB-CG1 4.24Å; I648-I722 HydrophobicContact CD1-CG1 4.04Å; I648-I722 CarbonylContact O-C 3.6Å; I648-I722 WeakPolarHBondContact O-CA 3.46Å; V650-I722 HydrophobicContact CG2-CG2 3.74Å; W713-I722 HydrophobicContact CB-CD1 3.91Å; L714-I722 HydrophobicContact CD2-CD1 3.84Å; L714-I722 HydrophobicContact CG-CD1 4.04Å; F717-I722 HydrophobicContact CB-CD1 4.23Å; F717-I722 HydrophobicContact CB-CG1 4.36Å; A719-I722 PolarHBondContact O-N 3.45Å; K720-I722 VanDerWaalsContact C-N 3.32Å; I722-I724 HydrophobicContact CG2-CG1 4.18Å; I722-Y817 PolarHBondContact O-OH 3.21Å |
| 723 | N | 97.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.6 | 170.2 | -175.6 | 34.3 | 0 | 0 | 0 | 110.1 | I648 V650 Y744 Y817 | I648-N723 PolarHBondContact O-N 3.38Å; V650-N723 PolarHBondContact N-O 3.12Å; N723-Y744 HydrophobicContact CB-CD1 3.57Å; N723-Y744 HydrophobicContact CB-CD2 3.86Å; N723-Y744 HydrophobicContact CB-CE1 3.47Å; N723-Y744 VanDerWaalsContact CB-CE1 3.47Å; N723-Y744 HydrophobicContact CB-CE2 3.79Å; N723-Y744 HydrophobicContact CB-CG 3.75Å; N723-Y817 WeakPolarHBondContact CA-OH 3.41Å |
| 724 | I | 96 | Very high | 93.4 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.3 | -179.2 | -56.9 | 176 | 0 | 0 | 0 | 109.5 | V650 L652 L710 I722 L812 L815 Y817 | V650-I724 HydrophobicContact CB-CG1 4.49Å; V650-I724 CarbonylContact O-C 3.14Å; V650-I724 WeakPolarHBondContact O-CA 3.4Å; L652-I724 HydrophobicContact CD1-CG2 3.59Å; L652-I724 HydrophobicContact CG-CG2 4.01Å; L710-I724 HydrophobicContact CD1-CD1 4.1Å; L710-I724 HydrophobicContact CD2-CD1 4.23Å; I722-I724 HydrophobicContact CG2-CG1 4.18Å; I724-L812 HydrophobicContact CD1-CD2 3.49Å; I724-L812 VanDerWaalsContact CD1-CD2 3.49Å; I724-L812 HydrophobicContact CG2-CD2 4.35Å; I724-L815 HydrophobicContact CD1-CD1 4.48Å; I724-Y817 HydrophobicContact CB-CD1 4.05Å; I724-Y817 HydrophobicContact CB-CE1 3.81Å; I724-Y817 HydrophobicContact CD1-CD2 4.15Å; I724-Y817 HydrophobicContact CD1-CE2 4.06Å; I724-Y817 HydrophobicContact CG1-CE1 4.32Å; I724-Y817 HydrophobicContact CG1-CE2 4.26Å; I724-Y817 PolarHBondContact N-OH 3.25Å |
| 725 | I | 94.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.6 | -178.6 | -63.7 | 173.8 | 0 | 0 | 0 | 109.9 | L570 V649 V650 I651 L652 G727 L730 V737 V741 | L570-I725 HydrophobicContact CD2-CD1 3.72Å; V649-I725 HydrophobicContact CG1-CD1 3.29Å; V649-I725 HydrophobicContact CG1-CG1 4.12Å; V650-I725 PolarHBondContact O-N 3.28Å; I651-I725 HydrophobicContact CG1-CB 4.3Å; I651-I725 HydrophobicContact CG1-CD1 4.42Å; L652-I725 PolarHBondContact N-O 3.4Å; I725-G727 PolarHBondContact O-N 2.95Å; I725-L730 HydrophobicContact CG2-CB 4.29Å; I725-V737 HydrophobicContact CD1-CG1 4.18Å; I725-V737 HydrophobicContact CG1-CG1 4.35Å; I725-V737 HydrophobicContact CG2-CG1 3.53Å; I725-V741 HydrophobicContact CD1-CG2 3.38Å; I725-V741 HydrophobicContact CG1-CG2 4.19Å |
| 726 | D | 92.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 113.1 | 164.2 | -174.3 | -9.5 | 0 | 0 | 0 | 109.7 | E728 Q729 L730 P820 S821 W822 | D726-E728 VanDerWaalsContact C-N 3.31Å; D726-E728 PolarHBondContact O-N 3.16Å; D726-E728 PolarHBondContact OD1-N 3.29Å; D726-Q729 HydrophobicContact CB-CB 3.87Å; D726-Q729 WeakPolarHBondContact O-CB 3.25Å; D726-Q729 PolarHBondContact O-N 3.15Å; D726-L730 PolarHBondContact O-N 3.48Å; D726-P820 HydrophobicContact CB-CB 4.12Å; D726-P820 HydrophobicContact CB-CG 4.4Å; D726-P820 WeakPolarHBondContact OD2-CA 3.46Å; D726-P820 WeakPolarHBondContact OD2-CB 3.3Å; D726-S821 PolarHBondContact OD2-N 2.92Å; D726-S821 VanDerWaalsContact OD2-N 3.15Å; D726-S821 PolarHBondContact OD2-OG 2.88Å; D726-W822 VanDerWaalsContact OD1-CD1 3.31Å; D726-W822 PolarHBondContact OD1-NE1 3.03Å |
| 727 | G | 90.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -25 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L652 I725 K731 | L652-G727 PolarHBondContact O-N 3.2Å; I725-G727 PolarHBondContact O-N 2.95Å; G727-K731 PolarHBondContact O-N 2.88Å; G727-K731 VanDerWaalsContact O-N 3.16Å |
| 728 | E | 89.4 | Confident | 93.4 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.8 | -39.8 | 171.7 | -74.8 | -64.6 | 158 | 0 | 0 | 110.2 | S549 D726 K731 H732 | S549-E728 PolarHBondContact OG-OE1 3.37Å; S549-E728 PolarHBondContact OG-OE2 3.32Å; D726-E728 VanDerWaalsContact C-N 3.31Å; D726-E728 PolarHBondContact O-N 3.16Å; D726-E728 PolarHBondContact OD1-N 3.29Å; E728-K731 WeakPolarHBondContact O-CB 3.41Å; E728-K731 PolarHBondContact O-N 3.16Å; E728-K731 IonicContact OE2-NZ 3.88Å; E728-H732 PolarHBondContact O-CD2 2.83Å; E728-H732 VanDerWaalsContact O-CD2 3.28Å; E728-H732 PolarHBondContact O-N 3.06Å; E728-H732 IonicContact OE2-CD2 3.43Å; E728-H732 PolarHBondContact OE2-CD2 3.1Å; E728-H732 IonicContact OE2-NE2 3.38Å; E728-H732 PolarHBondContact OE2-NE2 3.28Å |
| 729 | Q | 90.7 | Very high | 93.4 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 41% | 0.407 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 173 | -164.4 | -176.2 | 18.8 | 0 | 0 | 111.6 | D726 K731 H732 E733 V737 | D726-Q729 HydrophobicContact CB-CB 3.87Å; D726-Q729 WeakPolarHBondContact O-CB 3.25Å; D726-Q729 PolarHBondContact O-N 3.15Å; Q729-K731 PolarHBondContact O-N 3.39Å; Q729-H732 PolarHBondContact O-N 3.45Å; Q729-E733 HydrophobicContact CG-CB 4.3Å; Q729-E733 CarbonylContact O-C 3.56Å; Q729-E733 WeakPolarHBondContact O-CA 3.2Å; Q729-E733 PolarHBondContact O-N 3.14Å; Q729-V737 HydrophobicContact CB-CG2 4.05Å; Q729-V737 HydrophobicContact CG-CG2 3.71Å |
| 730 | L | 91.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 175.1 | 178.2 | 64.2 | 0 | 0 | 0 | 112.4 | F564 G566 L570 F573 I651 I725 D726 P734 V737 M738 | F564-L730 HydrophobicContact CZ-CD2 4.47Å; F564-L730 HydrophobicContact CZ-CG 4.32Å; G566-L730 WeakPolarHBondContact O-CD2 3.35Å; L570-L730 HydrophobicContact CB-CD2 3.95Å; L570-L730 HydrophobicContact CD1-CD1 4.48Å; F573-L730 HydrophobicContact CD2-CD1 4.23Å; F573-L730 HydrophobicContact CE2-CD1 4.3Å; I651-L730 HydrophobicContact CD1-CD2 4.04Å; I725-L730 HydrophobicContact CG2-CB 4.29Å; D726-L730 PolarHBondContact O-N 3.48Å; L730-P734 HydrophobicContact CD1-CB 4.36Å; L730-P734 WeakPolarHBondContact O-CB 3.45Å; L730-V737 HydrophobicContact CB-CG1 4.33Å; L730-V737 HydrophobicContact CD1-CB 4.29Å; L730-V737 HydrophobicContact CD1-CG1 3.91Å; L730-M738 HydrophobicContact CD1-SD 4.38Å |
| 731 | K | 86.6 | Confident | 93.5 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.8 | -43.2 | 179.3 | -178.8 | -173.3 | 162.1 | -141.4 | 0 | 112.4 | S549 S550 F564 G727 E728 Q729 G764 F765 Y766 | S549-K731 WeakPolarHBondContact OG-CD 3.25Å; S549-K731 VanDerWaalsContact OG-CE 3.3Å; S549-K731 WeakPolarHBondContact OG-CE 3.41Å; S549-K731 PolarHBondContact OG-NZ 3.34Å; S550-K731 PolarHBondContact O-NZ 2.79Å; F564-K731 HydrophobicContact CB-CD 4.14Å; F564-K731 HydrophobicContact CD1-CB 3.84Å; F564-K731 HydrophobicContact CD1-CD 4.25Å; F564-K731 HydrophobicContact CD1-CG 4.15Å; F564-K731 HydrophobicContact CD2-CB 4.4Å; F564-K731 HydrophobicContact CD2-CD 4.47Å; F564-K731 HydrophobicContact CD2-CG 4.04Å; F564-K731 HydrophobicContact CE1-CB 3.66Å; F564-K731 HydrophobicContact CE1-CG 4.33Å; F564-K731 HydrophobicContact CE2-CB 4.25Å; F564-K731 HydrophobicContact CE2-CG 4.22Å; F564-K731 HydrophobicContact CG-CB 4.2Å; F564-K731 HydrophobicContact CG-CD 4.02Å; F564-K731 HydrophobicContact CG-CG 4Å; F564-K731 HydrophobicContact CZ-CB 3.88Å; F564-K731 HydrophobicContact CZ-CG 4.36Å; G727-K731 PolarHBondContact O-N 2.88Å; G727-K731 VanDerWaalsContact O-N 3.16Å; E728-K731 WeakPolarHBondContact O-CB 3.41Å; E728-K731 PolarHBondContact O-N 3.16Å; E728-K731 IonicContact OE2-NZ 3.88Å; Q729-K731 PolarHBondContact O-N 3.39Å; K731-G764 WeakPolarHBondContact CE-O 3.47Å; K731-F765 HydrophobicContact CG-CB 4.19Å; K731-Y766 VanDerWaalsContact O-CD2 3.23Å; K731-Y766 WeakPolarHBondContact O-CD2 3.44Å; K731-Y766 WeakPolarHBondContact O-CE2 3.46Å |
| 732 | H | 88.4 | Confident | 93.5 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 38% | 0.384 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -96.3 | -33.1 | -170.5 | -71.3 | -66.6 | 0 | 0 | 0 | 113.5 | E728 Q729 Y766 | E728-H732 PolarHBondContact O-CD2 2.83Å; E728-H732 VanDerWaalsContact O-CD2 3.28Å; E728-H732 PolarHBondContact O-N 3.06Å; E728-H732 IonicContact OE2-CD2 3.43Å; E728-H732 PolarHBondContact OE2-CD2 3.1Å; E728-H732 IonicContact OE2-NE2 3.38Å; E728-H732 PolarHBondContact OE2-NE2 3.28Å; Q729-H732 PolarHBondContact O-N 3.45Å; H732-Y766 VanDerWaalsContact O-CE2 3.3Å; H732-Y766 WeakPolarHBondContact O-CE2 3.21Å; H732-Y766 PolarHBondContact O-OH 2.87Å |
| 733 | E | 90.1 | Very high | 93.4 | Very high | 124 Ų | 124 | 33.6 Ų | 33.6 | 58% | 0.579 | 19% | 0.19 | S | C | * | . | trans | -136.8 | 60 | -176.2 | -63.4 | 179.7 | -172.4 | 0 | 0 | 110.8 | Q729 F735 | Q729-E733 HydrophobicContact CG-CB 4.3Å; Q729-E733 CarbonylContact O-C 3.56Å; Q729-E733 WeakPolarHBondContact O-CA 3.2Å; Q729-E733 PolarHBondContact O-N 3.14Å; E733-F735 PolarHBondContact O-N 3.19Å; E733-F735 VanDerWaalsContact O-N 3.09Å | ||
| 734 | P | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -27.4 | -174.1 | 23.5 | -34.3 | 0 | 0 | 0 | 113.3 | F573 L730 V737 M738 L757 Y766 | F573-P734 HydrophobicContact CE2-CB 4.15Å; L730-P734 HydrophobicContact CD1-CB 4.36Å; L730-P734 WeakPolarHBondContact O-CB 3.45Å; P734-V737 PolarHBondContact O-N 3.12Å; P734-M738 WeakPolarHBondContact O-CB 3.45Å; P734-M738 WeakPolarHBondContact O-CG 3.5Å; P734-M738 PolarHBondContact O-N 3.22Å; P734-L757 HydrophobicContact CB-CD1 4.02Å; P734-L757 HydrophobicContact CG-CD1 4.11Å; P734-Y766 HydrophobicContact CG-CD1 3.88Å; P734-Y766 HydrophobicContact CG-CD2 3.51Å; P734-Y766 HydrophobicContact CG-CE1 4.07Å; P734-Y766 HydrophobicContact CG-CE2 3.73Å; P734-Y766 HydrophobicContact CG-CG 3.59Å |
| 735 | F | 93.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 34 Ų | 34 | 23% | 0.228 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | -170.4 | -49.5 | -56.2 | 0 | 0 | 0 | 113.2 | E733 V737 M738 S739 Y753 N754 L757 Y766 | E733-F735 PolarHBondContact O-N 3.19Å; E733-F735 VanDerWaalsContact O-N 3.09Å; F735-V737 VanDerWaalsContact C-N 3.35Å; F735-M738 PolarHBondContact O-N 2.94Å; F735-S739 PolarHBondContact O-N 3.09Å; F735-Y753 WeakPolarHBondContact CE1-O 3.11Å; F735-N754 HydrophobicContact CD1-CB 4.4Å; F735-N754 WeakPolarHBondContact CD1-OD1 3.43Å; F735-N754 WeakPolarHBondContact CD2-OD1 3.3Å; F735-N754 HydrophobicContact CE1-CB 4.29Å; F735-N754 WeakPolarHBondContact CE2-OD1 3.33Å; F735-N754 WeakPolarHBondContact CG-OD1 3.06Å; F735-N754 WeakPolarHBondContact CZ-OD1 3.45Å; F735-L757 HydrophobicContact CE1-CB 4.03Å; F735-L757 HydrophobicContact CE1-CD1 4.33Å; F735-Y766 HydrophobicContact CE1-CE1 4.46Å; F735-Y766 AromaticContact CE2-CE1 3.85Å; F735-Y766 HydrophobicContact CE2-CE1 3.85Å; F735-Y766 HydrophobicContact CZ-CD1 4.09Å; F735-Y766 AromaticContact CZ-CE1 3.55Å; F735-Y766 HydrophobicContact CZ-CE1 3.55Å |
| 736 | G | 93.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S739 A740 | G736-S739 PolarHBondContact O-N 3.15Å; G736-A740 PolarHBondContact O-N 3.4Å; G736-A740 VanDerWaalsContact O-N 3.09Å |
| 737 | V | 94.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111 | I725 Q729 L730 P734 F735 S739 A740 V741 | I725-V737 HydrophobicContact CD1-CG1 4.18Å; I725-V737 HydrophobicContact CG1-CG1 4.35Å; I725-V737 HydrophobicContact CG2-CG1 3.53Å; Q729-V737 HydrophobicContact CB-CG2 4.05Å; Q729-V737 HydrophobicContact CG-CG2 3.71Å; L730-V737 HydrophobicContact CB-CG1 4.33Å; L730-V737 HydrophobicContact CD1-CB 4.29Å; L730-V737 HydrophobicContact CD1-CG1 3.91Å; P734-V737 PolarHBondContact O-N 3.12Å; F735-V737 VanDerWaalsContact C-N 3.35Å; V737-S739 VanDerWaalsContact C-N 3.33Å; V737-S739 PolarHBondContact O-N 2.85Å; V737-A740 PolarHBondContact O-N 2.8Å; V737-V741 HydrophobicContact CG1-CG2 4.31Å; V737-V741 VanDerWaalsContact O-CG2 3.26Å; V737-V741 WeakPolarHBondContact O-CG2 3.4Å; V737-V741 PolarHBondContact O-N 3.04Å |
| 738 | M | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 179.7 | -70.4 | -50.2 | -61.6 | 0 | 0 | 112.2 | L570 F573 L574 L730 P734 F735 V741 Q742 Y753 | L570-M738 HydrophobicContact CD1-CE 4.22Å; L570-M738 HydrophobicContact CD1-SD 3.51Å; L570-M738 VanDerWaalsContact CD1-SD 3.51Å; F573-M738 HydrophobicContact CB-CE 3.74Å; F573-M738 HydrophobicContact CB-SD 3.82Å; F573-M738 HydrophobicContact CD2-CG 4.45Å; F573-M738 HydrophobicContact CD2-SD 4.1Å; F573-M738 HydrophobicContact CG-SD 4.5Å; L574-M738 HydrophobicContact CD2-CE 3.63Å; L574-M738 HydrophobicContact CG-CE 3.9Å; L730-M738 HydrophobicContact CD1-SD 4.38Å; P734-M738 WeakPolarHBondContact O-CB 3.45Å; P734-M738 WeakPolarHBondContact O-CG 3.5Å; P734-M738 PolarHBondContact O-N 3.22Å; F735-M738 PolarHBondContact O-N 2.94Å; M738-V741 PolarHBondContact O-N 3.37Å; M738-Q742 WeakPolarHBondContact O-CB 3.33Å; M738-Q742 VanDerWaalsContact O-CG 3.24Å; M738-Q742 WeakPolarHBondContact O-CG 3.49Å; M738-Q742 PolarHBondContact O-N 3.31Å; M738-Q742 PolarHBondContact O-NE2 2.9Å; M738-Y753 HydrophobicContact CB-CD1 4.45Å; M738-Y753 HydrophobicContact CB-CD2 3.54Å; M738-Y753 HydrophobicContact CB-CE2 3.88Å; M738-Y753 HydrophobicContact CB-CG 3.85Å; M738-Y753 HydrophobicContact CE-CD1 4.34Å; M738-Y753 HydrophobicContact CE-CD2 4.44Å; M738-Y753 HydrophobicContact CE-CE1 3.68Å; M738-Y753 HydrophobicContact CE-CE2 3.78Å; M738-Y753 WeakPolarHBondContact CE-OH 3.35Å; M738-Y753 HydrophobicContact CG-CD1 4.18Å; M738-Y753 HydrophobicContact CG-CD2 4.16Å; M738-Y753 HydrophobicContact CG-CE1 4.45Å; M738-Y753 HydrophobicContact CG-CE2 4.41Å; M738-Y753 HydrophobicContact CG-CG 4.02Å |
| 739 | S | 96.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 172.1 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | F735 G736 V737 V741 Q742 D743 | F735-S739 PolarHBondContact O-N 3.09Å; G736-S739 PolarHBondContact O-N 3.15Å; V737-S739 VanDerWaalsContact C-N 3.33Å; V737-S739 PolarHBondContact O-N 2.85Å; S739-V741 VanDerWaalsContact C-N 3.31Å; S739-V741 PolarHBondContact O-N 2.82Å; S739-Q742 WeakPolarHBondContact O-CB 3.31Å; S739-Q742 PolarHBondContact O-N 3.25Å; S739-D743 PolarHBondContact O-N 2.78Å; S739-D743 VanDerWaalsContact O-N 3.09Å |
| 740 | A | 95.5 | Very high | 94 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G736 V737 Y744 | G736-A740 PolarHBondContact O-N 3.4Å; G736-A740 VanDerWaalsContact O-N 3.09Å; V737-A740 PolarHBondContact O-N 2.8Å; A740-Y744 WeakPolarHBondContact O-CB 3.24Å; A740-Y744 PolarHBondContact O-N 3.07Å |
| 741 | V | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 176 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | L570 L574 I725 V737 M738 S739 Y744 L745 | L570-V741 HydrophobicContact CD1-CG1 4.46Å; L570-V741 HydrophobicContact CD1-CG2 4.45Å; L574-V741 HydrophobicContact CD1-CG1 4.24Å; L574-V741 HydrophobicContact CD2-CG1 3.81Å; I725-V741 HydrophobicContact CD1-CG2 3.38Å; I725-V741 HydrophobicContact CG1-CG2 4.19Å; V737-V741 HydrophobicContact CG1-CG2 4.31Å; V737-V741 VanDerWaalsContact O-CG2 3.26Å; V737-V741 WeakPolarHBondContact O-CG2 3.4Å; V737-V741 PolarHBondContact O-N 3.04Å; M738-V741 PolarHBondContact O-N 3.37Å; S739-V741 VanDerWaalsContact C-N 3.31Å; S739-V741 PolarHBondContact O-N 2.82Å; V741-Y744 PolarHBondContact O-N 2.97Å; V741-L745 HydrophobicContact CG1-CD1 3.83Å; V741-L745 HydrophobicContact CG1-CG 4.13Å; V741-L745 WeakPolarHBondContact O-CB 3.22Å; V741-L745 WeakPolarHBondContact O-CG 2.94Å; V741-L745 PolarHBondContact O-N 2.86Å |
| 742 | Q | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.7 | -76.8 | 178.4 | 108.5 | 0 | 0 | 111.4 | H577 M738 S739 L745 E746 L747 M750 I751 Y753 | H577-Q742 PolarHBondContact CD2-OE1 3.26Å; M738-Q742 WeakPolarHBondContact O-CB 3.33Å; M738-Q742 VanDerWaalsContact O-CG 3.24Å; M738-Q742 WeakPolarHBondContact O-CG 3.49Å; M738-Q742 PolarHBondContact O-N 3.31Å; M738-Q742 PolarHBondContact O-NE2 2.9Å; S739-Q742 WeakPolarHBondContact O-CB 3.31Å; S739-Q742 PolarHBondContact O-N 3.25Å; Q742-L745 CarbonylContact O-C 3.57Å; Q742-L745 PolarHBondContact O-N 3.31Å; Q742-E746 PolarHBondContact O-N 2.86Å; Q742-L747 HydrophobicContact CB-CB 4.2Å; Q742-L747 HydrophobicContact CG-CB 4.3Å; Q742-L747 HydrophobicContact CG-CD1 4.1Å; Q742-L747 PolarHBondContact O-N 3.17Å; Q742-M750 HydrophobicContact CB-CE 4.31Å; Q742-M750 HydrophobicContact CB-CG 4.36Å; Q742-I751 PolarHBondContact NE2-O 2.83Å; Q742-Y753 HydrophobicContact CG-CE2 4.15Å |
| 743 | D | 97 | Very high | 94.6 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.1 | -52 | 173.8 | -82.7 | -40.8 | 0 | 0 | 0 | 111.6 | S739 L745 E746 M750 | S739-D743 PolarHBondContact O-N 2.78Å; S739-D743 VanDerWaalsContact O-N 3.09Å; D743-L745 VanDerWaalsContact C-N 3.26Å; D743-L745 PolarHBondContact O-N 3.15Å; D743-E746 PolarHBondContact O-N 2.73Å; D743-M750 HydrophobicContact CB-CE 4.15Å; D743-M750 WeakPolarHBondContact OD1-CE 3.47Å; D743-M750 VanDerWaalsContact OD2-CE 3.24Å; D743-M750 WeakPolarHBondContact OD2-CE 3.37Å |
| 744 | Y | 97.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -38.9 | -179.1 | 173.9 | -107.1 | 0 | 0 | 0 | 112.4 | K647 I648 V649 Q721 N723 A740 V741 E746 | K647-Y744 HydrophobicContact CB-CE1 3.75Å; K647-Y744 WeakPolarHBondContact CB-OH 3.1Å; K647-Y744 HydrophobicContact CD-CE1 4.18Å; K647-Y744 VanDerWaalsContact CD-O 3.31Å; K647-Y744 WeakPolarHBondContact CD-O 3.39Å; K647-Y744 WeakPolarHBondContact CE-O 3.48Å; K647-Y744 HydrophobicContact CG-CE1 4.28Å; K647-Y744 PolarHBondContact NZ-O 3.49Å; I648-Y744 PolarHBondContact N-OH 3.03Å; V649-Y744 HydrophobicContact CG2-CD1 4.07Å; V649-Y744 HydrophobicContact CG2-CE1 3.82Å; Q721-Y744 PolarHBondContact O-OH 2.89Å; N723-Y744 HydrophobicContact CB-CD1 3.57Å; N723-Y744 HydrophobicContact CB-CD2 3.86Å; N723-Y744 HydrophobicContact CB-CE1 3.47Å; N723-Y744 VanDerWaalsContact CB-CE1 3.47Å; N723-Y744 HydrophobicContact CB-CE2 3.79Å; N723-Y744 HydrophobicContact CB-CG 3.75Å; A740-Y744 WeakPolarHBondContact O-CB 3.24Å; A740-Y744 PolarHBondContact O-N 3.07Å; V741-Y744 PolarHBondContact O-N 2.97Å; Y744-E746 VanDerWaalsContact C-N 3.3Å |
| 745 | L | 97.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.3 | 177.8 | -65.6 | -176.7 | 0 | 0 | 0 | 113.7 | A539 L574 K647 V649 V741 Q742 D743 L747 | A539-L745 HydrophobicContact CB-CD2 3.57Å; L574-L745 HydrophobicContact CD1-CD1 4.01Å; L574-L745 HydrophobicContact CD2-CD1 4.02Å; K647-L745 HydrophobicContact CB-CD2 4.05Å; K647-L745 HydrophobicContact CD-CD2 3.98Å; V649-L745 HydrophobicContact CG2-CD2 4.3Å; V741-L745 HydrophobicContact CG1-CD1 3.83Å; V741-L745 HydrophobicContact CG1-CG 4.13Å; V741-L745 WeakPolarHBondContact O-CB 3.22Å; V741-L745 WeakPolarHBondContact O-CG 2.94Å; V741-L745 PolarHBondContact O-N 2.86Å; Q742-L745 CarbonylContact O-C 3.57Å; Q742-L745 PolarHBondContact O-N 3.31Å; D743-L745 VanDerWaalsContact C-N 3.26Å; D743-L745 PolarHBondContact O-N 3.15Å; L745-L747 VanDerWaalsContact C-N 3.3Å; L745-L747 HydrophobicContact CB-CD1 4.18Å; L745-L747 HydrophobicContact CB-CG 3.89Å; L745-L747 HydrophobicContact CD1-CD1 4.35Å; L745-L747 PolarHBondContact O-N 3.41Å |
| 746 | E | 96 | Very high | 94.2 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 42.4 | -177 | -63.9 | 160.6 | -143.3 | 0 | 0 | 112.3 | K647 Q742 D743 Y744 H748 | K647-E746 IonicContact NZ-OE1 2.78Å; K647-E746 PolarHBondContact NZ-OE1 2.98Å; K647-E746 IonicContact NZ-OE2 2.81Å; Q742-E746 PolarHBondContact O-N 2.86Å; D743-E746 PolarHBondContact O-N 2.73Å; Y744-E746 VanDerWaalsContact C-N 3.3Å; E746-H748 PolarHBondContact O-N 2.76Å |
| 747 | L | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -81.4 | 113.7 | 179.4 | -66.9 | 177.7 | 0 | 0 | 0 | 110.8 | L574 V580 V621 Q742 L745 | L574-L747 HydrophobicContact CD2-CD1 4.13Å; V580-L747 HydrophobicContact CG2-CD1 3.67Å; V580-L747 HydrophobicContact CG2-CD2 3.55Å; V580-L747 HydrophobicContact CG2-CG 4.3Å; V621-L747 HydrophobicContact CB-CD2 3.82Å; V621-L747 HydrophobicContact CG1-CD2 4.32Å; V621-L747 HydrophobicContact CG2-CD2 3.51Å; Q742-L747 HydrophobicContact CB-CB 4.2Å; Q742-L747 HydrophobicContact CG-CB 4.3Å; Q742-L747 HydrophobicContact CG-CD1 4.1Å; Q742-L747 PolarHBondContact O-N 3.17Å; L745-L747 VanDerWaalsContact C-N 3.3Å; L745-L747 HydrophobicContact CB-CD1 4.18Å; L745-L747 HydrophobicContact CB-CG 3.89Å; L745-L747 HydrophobicContact CD1-CD1 4.35Å; L745-L747 PolarHBondContact O-N 3.41Å | ||
| 748 | H | 91.2 | Very high | 94 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 57% | 0.569 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -126.1 | 138.8 | 179.2 | -60.3 | -54 | 0 | 0 | 0 | 112.6 | E746 | E746-H748 PolarHBondContact O-N 2.76Š|
| 749 | P | 92.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | S | Bend | cis | -70.9 | 152.7 | -10.4 | 32.5 | -35.3 | 0 | 0 | 0 | 111.1 | H577 | H577-P749 PolarHBondContact NE2-O 2.91Š|
| 750 | M | 92.8 | Very high | 93 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -61 | 144.5 | 171 | -75.9 | -157.6 | 179.3 | 0 | 0 | 111.2 | Q742 D743 | Q742-M750 HydrophobicContact CB-CE 4.31Å; Q742-M750 HydrophobicContact CB-CG 4.36Å; D743-M750 HydrophobicContact CB-CE 4.15Å; D743-M750 WeakPolarHBondContact OD1-CE 3.47Å; D743-M750 VanDerWaalsContact OD2-CE 3.24Å; D743-M750 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 751 | I | 93.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | trans | -110.9 | 149.6 | 172.1 | 67.1 | 175.4 | 0 | 0 | 0 | 111.1 | H577 Q742 Y753 L756 | H577-I751 HydrophobicContact CB-CD1 3.94Å; Q742-I751 PolarHBondContact NE2-O 2.83Å; I751-Y753 HydrophobicContact CD1-CE1 4.27Å; I751-Y753 HydrophobicContact CD1-CE2 3.92Å; I751-Y753 HydrophobicContact CG1-CD2 4.05Å; I751-Y753 HydrophobicContact CG1-CE2 3.58Å; I751-Y753 PolarHBondContact O-N 2.73Å; I751-L756 HydrophobicContact CD1-CD1 3.68Å; I751-L756 HydrophobicContact CG1-CD1 4.42Å | ||
| 752 | N | 92.7 | Very high | 91.5 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | trans | -85 | 104.4 | 176.7 | -174.6 | 10.3 | 0 | 0 | 0 | 110.7 | N754 E755 | N752-N754 PolarHBondContact O-N 3.07Å; N752-N754 VanDerWaalsContact OD1-CB 3.25Å; N752-N754 WeakPolarHBondContact OD1-CB 3.39Å; N752-N754 PolarHBondContact OD1-N 2.96Å; N752-N754 VanDerWaalsContact OD1-N 3.17Å; N752-N754 PolarHBondContact OD1-ND2 3.46Å; N752-E755 PolarHBondContact ND2-OE1 2.82Å; N752-E755 PolarHBondContact O-N 3.34Å | ||
| 753 | Y | 93.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -68.8 | -16.2 | 178.7 | -79 | -90 | 0 | 0 | 0 | 113.8 | F573 L576 F735 M738 Q742 I751 E755 L756 L757 | F573-Y753 HydrophobicContact CB-CE1 4.15Å; F573-Y753 VanDerWaalsContact O-CE1 3.24Å; F573-Y753 WeakPolarHBondContact O-CE1 3.37Å; F573-Y753 PolarHBondContact O-OH 2.74Å; L576-Y753 HydrophobicContact CB-CE1 4.21Å; L576-Y753 HydrophobicContact CD1-CD1 4.32Å; L576-Y753 HydrophobicContact CD1-CE1 4.12Å; F735-Y753 WeakPolarHBondContact CE1-O 3.11Å; M738-Y753 HydrophobicContact CB-CD1 4.45Å; M738-Y753 HydrophobicContact CB-CD2 3.54Å; M738-Y753 HydrophobicContact CB-CE2 3.88Å; M738-Y753 HydrophobicContact CB-CG 3.85Å; M738-Y753 HydrophobicContact CE-CD1 4.34Å; M738-Y753 HydrophobicContact CE-CD2 4.44Å; M738-Y753 HydrophobicContact CE-CE1 3.68Å; M738-Y753 HydrophobicContact CE-CE2 3.78Å; M738-Y753 WeakPolarHBondContact CE-OH 3.35Å; M738-Y753 HydrophobicContact CG-CD1 4.18Å; M738-Y753 HydrophobicContact CG-CD2 4.16Å; M738-Y753 HydrophobicContact CG-CE1 4.45Å; M738-Y753 HydrophobicContact CG-CE2 4.41Å; M738-Y753 HydrophobicContact CG-CG 4.02Å; Q742-Y753 HydrophobicContact CG-CE2 4.15Å; I751-Y753 HydrophobicContact CD1-CE1 4.27Å; I751-Y753 HydrophobicContact CD1-CE2 3.92Å; I751-Y753 HydrophobicContact CG1-CD2 4.05Å; I751-Y753 HydrophobicContact CG1-CE2 3.58Å; I751-Y753 PolarHBondContact O-N 2.73Å; Y753-E755 PolarHBondContact O-N 3.12Å; Y753-L756 PolarHBondContact O-N 3.21Å; Y753-L757 HydrophobicContact CD1-CD1 4.07Å; Y753-L757 HydrophobicContact CD1-CG 4.22Å; Y753-L757 PolarHBondContact O-N 2.65Å |
| 754 | N | 90.7 | Very high | 89.7 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -57.3 | -31.6 | 174.3 | -68 | -61.4 | 0 | 0 | 0 | 112.5 | F735 N752 | F735-N754 HydrophobicContact CD1-CB 4.4Å; F735-N754 WeakPolarHBondContact CD1-OD1 3.43Å; F735-N754 WeakPolarHBondContact CD2-OD1 3.3Å; F735-N754 HydrophobicContact CE1-CB 4.29Å; F735-N754 WeakPolarHBondContact CE2-OD1 3.33Å; F735-N754 WeakPolarHBondContact CG-OD1 3.06Å; F735-N754 WeakPolarHBondContact CZ-OD1 3.45Å; N752-N754 PolarHBondContact O-N 3.07Å; N752-N754 VanDerWaalsContact OD1-CB 3.25Å; N752-N754 WeakPolarHBondContact OD1-CB 3.39Å; N752-N754 PolarHBondContact OD1-N 2.96Å; N752-N754 VanDerWaalsContact OD1-N 3.17Å; N752-N754 PolarHBondContact OD1-ND2 3.46Å |
| 755 | E | 87.9 | Confident | 89 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -85.7 | -14.5 | -178.6 | -68.6 | 165.7 | -144.1 | 0 | 0 | 112.8 | N752 Y753 | N752-E755 PolarHBondContact ND2-OE1 2.82Å; N752-E755 PolarHBondContact O-N 3.34Å; Y753-E755 PolarHBondContact O-N 3.12Å |
| 756 | L | 90.2 | Very high | 88.6 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -16.7 | -169.9 | -56.3 | 175.9 | 0 | 0 | 0 | 113.6 | L576 I751 Y753 K769 | L576-L756 HydrophobicContact CB-CD1 4.27Å; L576-L756 HydrophobicContact CD1-CB 4.01Å; I751-L756 HydrophobicContact CD1-CD1 3.68Å; I751-L756 HydrophobicContact CG1-CD1 4.42Å; Y753-L756 PolarHBondContact O-N 3.21Å; L756-K769 WeakPolarHBondContact O-CB 3.48Å; L756-K769 PolarHBondContact O-N 3.16Å |
| 757 | L | 92.2 | Very high | 88.3 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.5 | 178.4 | -53.7 | 178.3 | 0 | 0 | 0 | 110.6 | F573 L576 P734 F735 Y753 Y766 C767 | F573-L757 HydrophobicContact CD1-CD1 4.22Å; F573-L757 HydrophobicContact CD1-CD2 3.46Å; F573-L757 VanDerWaalsContact CD1-CD2 3.46Å; F573-L757 HydrophobicContact CD2-CD1 3.9Å; F573-L757 HydrophobicContact CE1-CD1 4.26Å; F573-L757 HydrophobicContact CE1-CD2 3.53Å; F573-L757 HydrophobicContact CE2-CD1 3.94Å; F573-L757 HydrophobicContact CG-CD1 4.05Å; F573-L757 HydrophobicContact CG-CD2 4.06Å; F573-L757 HydrophobicContact CZ-CD1 4.12Å; F573-L757 HydrophobicContact CZ-CD2 4.16Å; L576-L757 HydrophobicContact CD1-CD2 3.78Å; P734-L757 HydrophobicContact CB-CD1 4.02Å; P734-L757 HydrophobicContact CG-CD1 4.11Å; F735-L757 HydrophobicContact CE1-CB 4.03Å; F735-L757 HydrophobicContact CE1-CD1 4.33Å; Y753-L757 HydrophobicContact CD1-CD1 4.07Å; Y753-L757 HydrophobicContact CD1-CG 4.22Å; Y753-L757 PolarHBondContact O-N 2.65Å; L757-Y766 HydrophobicContact CB-CD1 4.1Å; L757-C767 CarbonylContact C-O 3.44Å; L757-C767 VanDerWaalsContact CA-O 3.3Å; L757-C767 WeakPolarHBondContact CA-O 3.45Å |
| 758 | T | 90.3 | Very high | 87.9 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.2 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | N760 Y766 C767 T775 | T758-N760 PolarHBondContact O-N 3.24Å; T758-Y766 CarbonylContact O-C 3.59Å; T758-Y766 WeakPolarHBondContact O-CA 3.13Å; T758-C767 PolarHBondContact N-O 3.43Å; T758-C767 PolarHBondContact O-N 3.08Å; T758-T775 HydrophobicContact CG2-CG2 3.64Å |
| 759 | F | 87.7 | Confident | 87.6 | Confident | 91 Ų | 91 | 57 Ų | 57 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.3 | 178.5 | -173.9 | -102.6 | 0 | 0 | 0 | 110.7 | A761 Y766 | F759-A761 HydrophobicContact CE1-CB 4.34Å; F759-Y766 HydrophobicContact CB-CD1 4.13Å; F759-Y766 HydrophobicContact CB-CE1 3.94Å; F759-Y766 HydrophobicContact CB-CE2 4.45Å; F759-Y766 HydrophobicContact CB-CG 4.47Å; F759-Y766 AromaticContact CD2-CD2 3.8Å; F759-Y766 HydrophobicContact CD2-CD2 3.8Å; F759-Y766 AromaticContact CD2-CE2 3.7Å; F759-Y766 HydrophobicContact CD2-CE2 3.7Å; F759-Y766 HydrophobicContact CD2-CG 4.33Å; F759-Y766 HydrophobicContact CE2-CE2 4.5Å |
| 760 | N | 84.8 | Confident | 86.6 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 107.8 | 174.5 | -175.2 | -50.2 | 0 | 0 | 0 | 110 | T758 K762 K763 G764 F765 C767 C777 | T758-N760 PolarHBondContact O-N 3.24Å; N760-K762 PolarHBondContact O-N 3.06Å; N760-K762 WeakPolarHBondContact OD1-CA 3.25Å; N760-K762 WeakPolarHBondContact OD1-CB 3.26Å; N760-K762 PolarHBondContact OD1-N 3.44Å; N760-K763 HydrophobicContact CB-CB 4.15Å; N760-K763 PolarHBondContact O-N 3.3Å; N760-K763 PolarHBondContact OD1-N 2.82Å; N760-G764 PolarHBondContact O-N 3.14Å; N760-F765 PolarHBondContact N-O 3.29Å; N760-C767 VanDerWaalsContact CB-SG 3.57Å; N760-C777 PolarHBondContact ND2-SG 2.81Å; N760-C777 VanDerWaalsContact ND2-SG 3.43Å |
| 761 | A | 81.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R551 F759 | R551-A761 PolarHBondContact NH1-O 2.86Å; F759-A761 HydrophobicContact CE1-CB 4.34Å |
| 762 | K | 80.1 | Confident | 84.6 | Confident | 174 Ų | 174 | 62 Ų | 62 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -42.4 | 176.2 | -173.7 | 178.1 | -178.2 | 177.4 | 0 | 111.3 | N760 | N760-K762 PolarHBondContact O-N 3.06Å; N760-K762 WeakPolarHBondContact OD1-CA 3.25Å; N760-K762 WeakPolarHBondContact OD1-CB 3.26Å; N760-K762 PolarHBondContact OD1-N 3.44Å |
| 763 | K | 77.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -25.5 | 178.5 | -74.3 | -67.4 | -169.4 | 172.3 | 0 | 113.3 | N760 F765 C777 K782 | N760-K763 HydrophobicContact CB-CB 4.15Å; N760-K763 PolarHBondContact O-N 3.3Å; N760-K763 PolarHBondContact OD1-N 2.82Å; K763-F765 HydrophobicContact CB-CD1 4.09Å; K763-F765 HydrophobicContact CB-CD2 4.42Å; K763-F765 HydrophobicContact CB-CE1 3.74Å; K763-F765 HydrophobicContact CB-CE2 4.09Å; K763-F765 HydrophobicContact CB-CG 4.43Å; K763-F765 HydrophobicContact CB-CZ 3.74Å; K763-F765 HydrophobicContact CD-CE1 4.25Å; K763-F765 HydrophobicContact CD-CZ 3.97Å; K763-F765 HydrophobicContact CG-CE1 4.47Å; K763-F765 HydrophobicContact CG-CZ 4.11Å; K763-F765 WeakPolarHBondContact O-CD1 3.33Å; K763-F765 VanDerWaalsContact O-CE1 3.32Å; K763-F765 WeakPolarHBondContact O-CE1 3.49Å; K763-C777 HydrophobicContact CG-CB 4.44Å; K763-K782 PolarHBondContact NZ-O 3.45Å |
| 764 | G | 78.4 | Confident | 82.5 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 14.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K731 N760 | K731-G764 WeakPolarHBondContact CE-O 3.47Å; N760-G764 PolarHBondContact O-N 3.14Å |
| 765 | F | 83.2 | Confident | 82 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 169.2 | 179.7 | 54.9 | -101 | 0 | 0 | 0 | 111.9 | F564 K731 N760 K763 L778 | F564-F765 HydrophobicContact CD2-CB 3.65Å; F564-F765 AromaticContact CD2-CD1 4Å; F564-F765 HydrophobicContact CD2-CD1 4Å; F564-F765 AromaticContact CD2-CG 3.84Å; F564-F765 HydrophobicContact CD2-CG 3.84Å; F564-F765 HydrophobicContact CE2-CB 3.76Å; F564-F765 HydrophobicContact CE2-CG 4.15Å; K731-F765 HydrophobicContact CG-CB 4.19Å; N760-F765 PolarHBondContact N-O 3.29Å; K763-F765 HydrophobicContact CB-CD1 4.09Å; K763-F765 HydrophobicContact CB-CD2 4.42Å; K763-F765 HydrophobicContact CB-CE1 3.74Å; K763-F765 HydrophobicContact CB-CE2 4.09Å; K763-F765 HydrophobicContact CB-CG 4.43Å; K763-F765 HydrophobicContact CB-CZ 3.74Å; K763-F765 HydrophobicContact CD-CE1 4.25Å; K763-F765 HydrophobicContact CD-CZ 3.97Å; K763-F765 HydrophobicContact CG-CE1 4.47Å; K763-F765 HydrophobicContact CG-CZ 4.11Å; K763-F765 WeakPolarHBondContact O-CD1 3.33Å; K763-F765 VanDerWaalsContact O-CE1 3.32Å; K763-F765 WeakPolarHBondContact O-CE1 3.49Å; F765-L778 HydrophobicContact CE2-CB 4.24Å; F765-L778 HydrophobicContact CE2-CD1 4.32Å; F765-L778 HydrophobicContact CE2-CG 4.31Å; F765-L778 HydrophobicContact CZ-CB 4.42Å |
| 766 | Y | 88.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.7 | 178.6 | -71.2 | -103.4 | 0 | 0 | 0 | 112.7 | K731 H732 P734 F735 L757 T758 F759 | K731-Y766 VanDerWaalsContact O-CD2 3.23Å; K731-Y766 WeakPolarHBondContact O-CD2 3.44Å; K731-Y766 WeakPolarHBondContact O-CE2 3.46Å; H732-Y766 VanDerWaalsContact O-CE2 3.3Å; H732-Y766 WeakPolarHBondContact O-CE2 3.21Å; H732-Y766 PolarHBondContact O-OH 2.87Å; P734-Y766 HydrophobicContact CG-CD1 3.88Å; P734-Y766 HydrophobicContact CG-CD2 3.51Å; P734-Y766 HydrophobicContact CG-CE1 4.07Å; P734-Y766 HydrophobicContact CG-CE2 3.73Å; P734-Y766 HydrophobicContact CG-CG 3.59Å; F735-Y766 HydrophobicContact CE1-CE1 4.46Å; F735-Y766 AromaticContact CE2-CE1 3.85Å; F735-Y766 HydrophobicContact CE2-CE1 3.85Å; F735-Y766 HydrophobicContact CZ-CD1 4.09Å; F735-Y766 AromaticContact CZ-CE1 3.55Å; F735-Y766 HydrophobicContact CZ-CE1 3.55Å; L757-Y766 HydrophobicContact CB-CD1 4.1Å; T758-Y766 CarbonylContact O-C 3.59Å; T758-Y766 WeakPolarHBondContact O-CA 3.13Å; F759-Y766 HydrophobicContact CB-CD1 4.13Å; F759-Y766 HydrophobicContact CB-CE1 3.94Å; F759-Y766 HydrophobicContact CB-CE2 4.45Å; F759-Y766 HydrophobicContact CB-CG 4.47Å; F759-Y766 AromaticContact CD2-CD2 3.8Å; F759-Y766 HydrophobicContact CD2-CD2 3.8Å; F759-Y766 AromaticContact CD2-CE2 3.7Å; F759-Y766 HydrophobicContact CD2-CE2 3.7Å; F759-Y766 HydrophobicContact CD2-CG 4.33Å; F759-Y766 HydrophobicContact CE2-CE2 4.5Å |
| 767 | C | 89.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 164.6 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | L757 T758 N760 T775 C777 | L757-C767 CarbonylContact C-O 3.44Å; L757-C767 VanDerWaalsContact CA-O 3.3Å; L757-C767 WeakPolarHBondContact CA-O 3.45Å; T758-C767 PolarHBondContact N-O 3.43Å; T758-C767 PolarHBondContact O-N 3.08Å; N760-C767 VanDerWaalsContact CB-SG 3.57Å; C767-T775 HydrophobicContact CB-CG2 3.33Å; C767-C777 HydrophobicContact CB-CB 3.91Å; C767-C777 WeakPolarHBondContact CB-SG 3.44Å; C767-C777 WeakPolarHBondContact SG-CA 3.35Å; C767-C777 WeakPolarHBondContact SG-CB 3.46Å; C767-C777 CovalentContact SG-SG 2.03Å; C767-C777 PolarHBondContact SG-SG 2.85Å |
| 768 | L | 88.7 | Confident | 80.6 | Confident | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.7 | -179 | -65.7 | 70.5 | 0 | 0 | 0 | 109.6 | K572 F573 L576 Y776 | K572-L768 HydrophobicContact CB-CD1 4.43Å; F573-L768 HydrophobicContact CD1-CD1 4.31Å; F573-L768 HydrophobicContact CE1-CD1 4.14Å; L576-L768 HydrophobicContact CD1-CD2 4.49Å; L576-L768 HydrophobicContact CD1-CG 4.26Å; L576-L768 HydrophobicContact CD2-CD2 3.88Å; L576-L768 HydrophobicContact CD2-CG 4.36Å; L576-L768 HydrophobicContact CG-CD2 4.29Å; L768-Y776 PolarHBondContact N-O 2.93Å; L768-Y776 PolarHBondContact O-N 2.86Å |
| 769 | K | 83.6 | Confident | 79.7 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.9 | 174.2 | -168.6 | 178.4 | 179 | -174.8 | 0 | 109.4 | L756 N773 | L756-K769 WeakPolarHBondContact O-CB 3.48Å; L756-K769 PolarHBondContact O-N 3.16Å; K769-N773 WeakPolarHBondContact CE-OD1 3.43Å |
| 770 | T | 72.3 | Confident | 78.6 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 162.5 | 174.7 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | S772 N773 H774 | T770-S772 PolarHBondContact O-N 3.42Å; T770-S772 PolarHBondContact OG1-N 3.26Å; T770-S772 PolarHBondContact OG1-OG 3.27Å; T770-N773 PolarHBondContact O-N 2.81Å; T770-H774 HydrophobicContact CG2-CB 4.36Å; T770-H774 WeakPolarHBondContact CG2-O 3.29Å; T770-H774 PolarHBondContact N-O 2.77Å; T770-H774 WeakPolarHBondContact OG1-CA 3.44Å; T770-H774 WeakPolarHBondContact OG1-CB 3.4Å; T770-H774 PolarHBondContact OG1-N 2.71Å; T770-H774 PolarHBondContact OG1-O 3.46Å; T770-H774 VanDerWaalsContact OG1-O 3.09Å |
| 771 | L | 70.9 | Confident | 77.6 | Confident | 193 Ų | 193 | 73.1 Ų | 73.1 | 100% | 1.01 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.4 | 172.2 | -68.8 | 168.6 | 0 | 0 | 0 | 112.8 | N773 | L771-N773 PolarHBondContact O-N 3.42Š|
| 772 | S | 72.7 | Confident | 77 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 12.4 | 175.6 | 45.8 | 0 | 0 | 0 | 0 | 114 | T770 H774 | T770-S772 PolarHBondContact O-N 3.42Å; T770-S772 PolarHBondContact OG1-N 3.26Å; T770-S772 PolarHBondContact OG1-OG 3.27Å; S772-H774 PolarHBondContact O-N 3.02Å; S772-H774 VanDerWaalsContact O-N 3.1Å; S772-H774 PolarHBondContact OG-CD2 3.07Å; S772-H774 VanDerWaalsContact OG-CD2 3.29Å |
| 773 | N | 68.7 | Low | 76.3 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 60.7 | 12.4 | -175.9 | -111.5 | 7.2 | 0 | 0 | 0 | 114.7 | K769 T770 L771 | K769-N773 WeakPolarHBondContact CE-OD1 3.43Å; T770-N773 PolarHBondContact O-N 2.81Å; L771-N773 PolarHBondContact O-N 3.42Å |
| 774 | H | 74.4 | Confident | 76 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | trans | -76.1 | 150.1 | 168.9 | -65.6 | -58.4 | 0 | 0 | 0 | 110.2 | T770 S772 | T770-H774 HydrophobicContact CG2-CB 4.36Å; T770-H774 WeakPolarHBondContact CG2-O 3.29Å; T770-H774 PolarHBondContact N-O 2.77Å; T770-H774 WeakPolarHBondContact OG1-CA 3.44Å; T770-H774 WeakPolarHBondContact OG1-CB 3.4Å; T770-H774 PolarHBondContact OG1-N 2.71Å; T770-H774 PolarHBondContact OG1-O 3.46Å; T770-H774 VanDerWaalsContact OG1-O 3.09Å; S772-H774 PolarHBondContact O-N 3.02Å; S772-H774 VanDerWaalsContact O-N 3.1Å; S772-H774 PolarHBondContact OG-CD2 3.07Å; S772-H774 VanDerWaalsContact OG-CD2 3.29Å | ||
| 775 | T | 78.8 | Confident | 75.7 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.8 | 179.4 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | T758 C767 | T758-T775 HydrophobicContact CG2-CG2 3.64Å; C767-T775 HydrophobicContact CB-CG2 3.33Å |
| 776 | Y | 81.2 | Confident | 75.6 | Confident | 144 Ų | 144 | 71.3 Ų | 71.3 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 104.3 | 172.8 | -174.1 | -94.8 | 0 | 0 | 0 | 109.8 | L768 | L768-Y776 PolarHBondContact N-O 2.93Å; L768-Y776 PolarHBondContact O-N 2.86Å |
| 777 | C | 82.6 | Confident | 75.3 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 163.4 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | N760 K763 C767 | N760-C777 PolarHBondContact ND2-SG 2.81Å; N760-C777 VanDerWaalsContact ND2-SG 3.43Å; K763-C777 HydrophobicContact CG-CB 4.44Å; C767-C777 HydrophobicContact CB-CB 3.91Å; C767-C777 WeakPolarHBondContact CB-SG 3.44Å; C767-C777 WeakPolarHBondContact SG-CA 3.35Å; C767-C777 WeakPolarHBondContact SG-CB 3.46Å; C767-C777 CovalentContact SG-SG 2.03Å; C767-C777 PolarHBondContact SG-SG 2.85Å |
| 778 | L | 78.7 | Confident | 75.2 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -54.2 | 144.9 | 165.5 | -59 | 177.9 | 0 | 0 | 0 | 109.9 | T568 A569 K572 F765 K782 | T568-L778 HydrophobicContact CG2-CD2 4.06Å; A569-L778 HydrophobicContact CB-CD1 4.03Å; K572-L778 HydrophobicContact CB-CD2 4.36Å; K572-L778 HydrophobicContact CG-CD2 3.91Å; F765-L778 HydrophobicContact CE2-CB 4.24Å; F765-L778 HydrophobicContact CE2-CD1 4.32Å; F765-L778 HydrophobicContact CE2-CG 4.31Å; F765-L778 HydrophobicContact CZ-CB 4.42Å; L778-K782 HydrophobicContact CB-CB 3.71Å; L778-K782 HydrophobicContact CB-CG 3.99Å |
| 779 | G | 70.3 | Confident | 75.3 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 169.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | S781 K782 | G779-S781 PolarHBondContact O-N 3.37Å; G779-S781 VanDerWaalsContact O-N 3.08Å; G779-K782 WeakPolarHBondContact O-CA 3.28Å; G779-K782 VanDerWaalsContact O-CB 3.32Å; G779-K782 WeakPolarHBondContact O-CB 3.45Å; G779-K782 PolarHBondContact O-N 2.94Å |
| 780 | E | 64.9 | Low | 75.7 | Confident | 180 Ų | 180 | 78.8 Ų | 78.8 | 84% | 0.841 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33.3 | -169.7 | -66.3 | -173.9 | 163.3 | 0 | 0 | 115 | K782 | E780-K782 PolarHBondContact O-N 2.85Š|
| 781 | S | 65.1 | Low | 76.6 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.5 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | G779 R784 | G779-S781 PolarHBondContact O-N 3.37Å; G779-S781 VanDerWaalsContact O-N 3.08Å; S781-R784 VanDerWaalsContact CB-NH2 3.3Å |
| 782 | K | 68.1 | Low | 77.8 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 11% | 0.109 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -105.9 | 123.6 | 178.8 | -42.3 | -68.9 | -179.8 | 177.1 | 0 | 108.1 | E565 E591 K763 L778 G779 E780 | E565-K782 HydrophobicContact CB-CD 4.22Å; E565-K782 HydrophobicContact CG-CD 3.8Å; E565-K782 WeakPolarHBondContact OE1-CD 3.27Å; E565-K782 IonicContact OE1-NZ 3.96Å; E565-K782 PolarHBondContact OE1-NZ 3.07Å; E565-K782 VanDerWaalsContact OE2-CD 3.32Å; E565-K782 WeakPolarHBondContact OE2-CD 3.28Å; E565-K782 VanDerWaalsContact OE2-CE 3.31Å; E565-K782 WeakPolarHBondContact OE2-CE 3.4Å; E565-K782 IonicContact OE2-NZ 3.79Å; E565-K782 PolarHBondContact OE2-NZ 3.44Å; E591-K782 IonicContact OE1-NZ 3.16Å; K763-K782 PolarHBondContact NZ-O 3.45Å; L778-K782 HydrophobicContact CB-CB 3.71Å; L778-K782 HydrophobicContact CB-CG 3.99Å; G779-K782 WeakPolarHBondContact O-CA 3.28Å; G779-K782 VanDerWaalsContact O-CB 3.32Å; G779-K782 WeakPolarHBondContact O-CB 3.45Å; G779-K782 PolarHBondContact O-N 2.94Å; E780-K782 PolarHBondContact O-N 2.85Å |
| 783 | G | 64.8 | Low | 78.9 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 81.5 | 34.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T563 | T563-G783 WeakPolarHBondContact O-CA 3.33Å; T563-G783 PolarHBondContact O-N 3.4Å |
| 784 | R | 71.3 | Confident | 80.1 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | trans | -65.7 | 139.1 | 168.9 | -70.2 | 178.7 | -175.9 | 147.9 | -2.8 | 109.3 | T563 S781 | T563-R784 PolarHBondContact N-O 3.43Å; S781-R784 VanDerWaalsContact CB-NH2 3.3Å | ||
| 785 | H | 72.8 | Confident | 81.1 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.8 | 169.9 | -61.9 | -83.2 | 0 | 0 | 0 | 108.5 | ||
| 786 | Y | 79.1 | Confident | 81.9 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 14% | 0.137 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 162.5 | 173.5 | 42.9 | -94.6 | 0 | 0 | 0 | 108.1 | L561 T563 Y660 Q664 | L561-Y786 HydrophobicContact CB-CD2 4.11Å; L561-Y786 HydrophobicContact CB-CE2 3.48Å; L561-Y786 VanDerWaalsContact CB-CE2 3.48Å; L561-Y786 HydrophobicContact CD1-CE2 4.29Å; T563-Y786 WeakPolarHBondContact OG1-CE1 3.07Å; Y660-Y786 HydrophobicContact CD1-CD2 4.11Å; Y660-Y786 AromaticContact CD1-CE2 3.66Å; Y660-Y786 HydrophobicContact CD1-CE2 3.66Å; Y660-Y786 AromaticContact CE1-CD2 3.57Å; Y660-Y786 HydrophobicContact CE1-CD2 3.57Å; Y660-Y786 AromaticContact CE1-CE2 3.6Å; Y660-Y786 HydrophobicContact CE1-CE2 3.6Å; Q664-Y786 HydrophobicContact CB-CD1 4.07Å; Q664-Y786 HydrophobicContact CB-CD2 4.3Å; Q664-Y786 HydrophobicContact CB-CE1 4.49Å; Q664-Y786 HydrophobicContact CB-CG 3.96Å; Q664-Y786 HydrophobicContact CG-CD1 4.3Å; Q664-Y786 HydrophobicContact CG-CD2 3.65Å; Q664-Y786 HydrophobicContact CG-CE2 4.17Å; Q664-Y786 HydrophobicContact CG-CG 3.71Å |
| 787 | E | 84 | Confident | 82.7 | Confident | 153 Ų | 153 | 64.5 Ų | 64.5 | 72% | 0.715 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 148 | -179.4 | -66.5 | -178.6 | 158.3 | 0 | 0 | 111.3 | Y660 | Y660-E787 VanDerWaalsContact CE1-O 3.3Å; Y660-E787 WeakPolarHBondContact CE1-O 3.44Å; Y660-E787 PolarHBondContact OH-O 3.31Å |
| 788 | P | 85.6 | Confident | 83.3 | Confident | 80 Ų | 80 | 64 Ų | 64 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 146.2 | 172.2 | -23.3 | 34.3 | 0 | 0 | 0 | 111.4 | I559 Y660 S790 | I559-P788 WeakPolarHBondContact O-CG 3.3Å; Y660-P788 PolarHBondContact OH-O 3.3Å; P788-S790 PolarHBondContact O-N 2.99Å |
| 789 | M | 90.8 | Very high | 84.1 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 135.2 | 173.4 | -169.5 | -170.4 | -47.2 | 0 | 0 | 109.7 | L561 L657 Y660 F679 A793 R794 L797 | L561-M789 HydrophobicContact CD1-CB 3.91Å; L657-M789 HydrophobicContact CD2-CE 4.47Å; Y660-M789 HydrophobicContact CD1-CB 3.9Å; Y660-M789 HydrophobicContact CD1-CE 4.02Å; Y660-M789 HydrophobicContact CD1-CG 4.37Å; Y660-M789 HydrophobicContact CD2-CB 4.45Å; Y660-M789 HydrophobicContact CD2-CG 4.15Å; Y660-M789 HydrophobicContact CE1-CB 3.86Å; Y660-M789 HydrophobicContact CE2-CB 4.39Å; Y660-M789 HydrophobicContact CE2-CG 4.31Å; Y660-M789 HydrophobicContact CG-CB 4.18Å; Y660-M789 HydrophobicContact CG-CE 3.74Å; Y660-M789 HydrophobicContact CG-CG 4.14Å; F679-M789 HydrophobicContact CD1-CG 4.28Å; F679-M789 HydrophobicContact CE1-CE 4.48Å; F679-M789 HydrophobicContact CE1-CG 4.13Å; F679-M789 HydrophobicContact CE1-SD 4.06Å; M789-A793 HydrophobicContact CG-CB 3.91Å; M789-A793 HydrophobicContact SD-CB 4.24Å; M789-R794 VanDerWaalsContact SD-CA 3.57Å; M789-R794 HydrophobicContact SD-CB 3.89Å; M789-R794 HydrophobicContact SD-CG 4.38Å; M789-L797 HydrophobicContact CE-CD1 4.02Å; M789-L797 HydrophobicContact SD-CD1 3.63Å |
| 790 | S | 92.4 | Very high | 85.3 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 144.5 | 174.8 | 70.6 | 0 | 0 | 0 | 0 | 111 | P788 E792 A793 R794 | P788-S790 PolarHBondContact O-N 2.99Å; S790-E792 PolarHBondContact O-N 3.38Å; S790-E792 VanDerWaalsContact O-N 3.17Å; S790-A793 PolarHBondContact O-N 3.16Å; S790-A793 VanDerWaalsContact O-N 3.13Å; S790-A793 WeakPolarHBondContact OG-CB 3.39Å; S790-A793 PolarHBondContact OG-N 2.91Å; S790-R794 PolarHBondContact O-N 2.91Å |
| 791 | E | 92.4 | Very high | 86.8 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -27.2 | 177.7 | -79.6 | -58.4 | 128.7 | 0 | 0 | 112.7 | R794 R795 | E791-R794 IonicContact OE1-NE 2.95Å; E791-R794 PolarHBondContact OE1-NE 3.28Å; E791-R794 IonicContact OE2-CZ 3.33Å; E791-R794 IonicContact OE2-NE 3.07Å; E791-R794 PolarHBondContact OE2-NE 3.49Å; E791-R794 IonicContact OE2-NH2 2.65Å; E791-R794 PolarHBondContact OE2-NH2 3.31Å; E791-R795 WeakPolarHBondContact O-CB 3.4Å; E791-R795 WeakPolarHBondContact O-CG 3.39Å; E791-R795 PolarHBondContact O-N 3.06Å; E791-R795 PolarHBondContact O-NE 3.46Å |
| 792 | E | 95.1 | Very high | 88.2 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 173.4 | -173.1 | -176.5 | 179.4 | 0 | 0 | 111.7 | I680 S790 R794 R795 W796 | I680-E792 HydrophobicContact CD1-CG 3.96Å; I680-E792 HydrophobicContact CG1-CG 4.3Å; S790-E792 PolarHBondContact O-N 3.38Å; S790-E792 VanDerWaalsContact O-N 3.17Å; E792-R794 VanDerWaalsContact C-N 3.29Å; E792-R794 PolarHBondContact O-N 3.31Å; E792-R795 PolarHBondContact O-N 3.11Å; E792-W796 WeakPolarHBondContact O-CB 3.35Å; E792-W796 PolarHBondContact O-N 3.49Å |
| 793 | A | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F679 I680 L683 M789 S790 W796 L797 | F679-A793 HydrophobicContact CD1-CB 3.72Å; F679-A793 HydrophobicContact CE1-CB 4.09Å; I680-A793 HydrophobicContact CD1-CB 4.17Å; L683-A793 HydrophobicContact CD1-CB 3.77Å; M789-A793 HydrophobicContact CG-CB 3.91Å; M789-A793 HydrophobicContact SD-CB 4.24Å; S790-A793 PolarHBondContact O-N 3.16Å; S790-A793 VanDerWaalsContact O-N 3.13Å; S790-A793 WeakPolarHBondContact OG-CB 3.39Å; S790-A793 PolarHBondContact OG-N 2.91Å; A793-W796 PolarHBondContact O-N 3.02Å; A793-L797 WeakPolarHBondContact O-CB 3.5Å; A793-L797 WeakPolarHBondContact O-CG 3.22Å; A793-L797 PolarHBondContact O-N 2.99Å |
| 794 | R | 94.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -51.8 | 175.9 | -166.2 | -176.8 | 76.7 | 84.5 | 1 | 111.7 | M789 S790 E791 E792 W796 L797 L798 E829 | M789-R794 VanDerWaalsContact SD-CA 3.57Å; M789-R794 HydrophobicContact SD-CB 3.89Å; M789-R794 HydrophobicContact SD-CG 4.38Å; S790-R794 PolarHBondContact O-N 2.91Å; E791-R794 IonicContact OE1-NE 2.95Å; E791-R794 PolarHBondContact OE1-NE 3.28Å; E791-R794 IonicContact OE2-CZ 3.33Å; E791-R794 IonicContact OE2-NE 3.07Å; E791-R794 PolarHBondContact OE2-NE 3.49Å; E791-R794 IonicContact OE2-NH2 2.65Å; E791-R794 PolarHBondContact OE2-NH2 3.31Å; E792-R794 VanDerWaalsContact C-N 3.29Å; E792-R794 PolarHBondContact O-N 3.31Å; R794-W796 VanDerWaalsContact C-N 3.3Å; R794-W796 PolarHBondContact O-N 3.39Å; R794-L797 PolarHBondContact O-N 2.99Å; R794-L798 WeakPolarHBondContact O-CG 3.46Å; R794-L798 PolarHBondContact O-N 3.17Å; R794-E829 IonicContact CZ-OE2 3.98Å; R794-E829 IonicContact NH1-OE2 3.64Å; R794-E829 PolarHBondContact NH1-OE2 2.94Å |
| 795 | R | 94.3 | Very high | 91.8 | Very high | 150 Ų | 150 | 63 Ų | 63 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 176.7 | -79.6 | 178.7 | -78.6 | 131.5 | -5.8 | 112 | E791 E792 N799 | E791-R795 WeakPolarHBondContact O-CB 3.4Å; E791-R795 WeakPolarHBondContact O-CG 3.39Å; E791-R795 PolarHBondContact O-N 3.06Å; E791-R795 PolarHBondContact O-NE 3.46Å; E792-R795 PolarHBondContact O-N 3.11Å; R795-N799 WeakPolarHBondContact O-CB 3.45Å; R795-N799 PolarHBondContact O-N 3.32Å; R795-N799 VanDerWaalsContact O-N 3.07Å |
| 796 | W | 96.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 176.7 | -169.4 | 99.4 | 0 | 0 | 0 | 111.6 | I680 L683 L701 E792 A793 R794 N799 Y800 | I680-W796 HydrophobicContact CD1-CB 4.35Å; L683-W796 HydrophobicContact CB-CD2 3.97Å; L683-W796 HydrophobicContact CB-CE3 3.72Å; L683-W796 HydrophobicContact CB-CH2 4.29Å; L683-W796 HydrophobicContact CB-CZ2 4.5Å; L683-W796 HydrophobicContact CB-CZ3 3.9Å; L683-W796 HydrophobicContact CD1-CD2 4.48Å; L683-W796 HydrophobicContact CD1-CE3 3.97Å; L683-W796 HydrophobicContact CD2-CE3 4.13Å; L683-W796 HydrophobicContact CD2-CZ3 3.97Å; L683-W796 HydrophobicContact CG-CE3 4.16Å; L683-W796 HydrophobicContact CG-CZ3 4.38Å; L683-W796 WeakPolarHBondContact O-CH2 3.49Å; L683-W796 WeakPolarHBondContact O-CZ2 3.38Å; L701-W796 HydrophobicContact CD1-CH2 3.56Å; L701-W796 HydrophobicContact CD1-CZ3 3.63Å; L701-W796 HydrophobicContact CD2-CZ3 4.31Å; E792-W796 WeakPolarHBondContact O-CB 3.35Å; E792-W796 PolarHBondContact O-N 3.49Å; A793-W796 PolarHBondContact O-N 3.02Å; R794-W796 VanDerWaalsContact C-N 3.3Å; R794-W796 PolarHBondContact O-N 3.39Å; W796-N799 PolarHBondContact O-N 3.43Å; W796-Y800 AromaticContact CH2-CD2 3.47Å; W796-Y800 HydrophobicContact CH2-CD2 3.47Å; W796-Y800 VanDerWaalsContact CH2-CD2 3.47Å; W796-Y800 HydrophobicContact CH2-CE2 4.13Å; W796-Y800 AromaticContact CH2-CG 3.8Å; W796-Y800 HydrophobicContact CH2-CG 3.8Å; W796-Y800 HydrophobicContact CZ2-CD2 4.25Å; W796-Y800 HydrophobicContact CZ3-CD1 4.33Å; W796-Y800 AromaticContact CZ3-CD2 3.86Å; W796-Y800 HydrophobicContact CZ3-CD2 3.86Å; W796-Y800 AromaticContact CZ3-CG 3.66Å; W796-Y800 HydrophobicContact CZ3-CG 3.66Å; W796-Y800 WeakPolarHBondContact O-CB 3.18Å; W796-Y800 PolarHBondContact O-N 2.95Å |
| 797 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 179.3 | -76.4 | 166.7 | 0 | 0 | 0 | 112.8 | A656 A659 F679 L683 L701 M789 A793 R794 N799 Y800 Y801 | A656-L797 HydrophobicContact CB-CB 3.82Å; A656-L797 HydrophobicContact CB-CD1 4.1Å; A659-L797 HydrophobicContact CB-CD2 4.11Å; F679-L797 HydrophobicContact CE1-CD1 3.75Å; F679-L797 HydrophobicContact CZ-CD1 3.89Å; L683-L797 HydrophobicContact CD1-CD1 4.08Å; L683-L797 HydrophobicContact CD1-CD2 4.27Å; L683-L797 HydrophobicContact CD1-CG 3.82Å; L683-L797 HydrophobicContact CD2-CD2 3.63Å; L683-L797 HydrophobicContact CD2-CG 4.13Å; L701-L797 HydrophobicContact CD2-CD2 3.58Å; M789-L797 HydrophobicContact CE-CD1 4.02Å; M789-L797 HydrophobicContact SD-CD1 3.63Å; A793-L797 WeakPolarHBondContact O-CB 3.5Å; A793-L797 WeakPolarHBondContact O-CG 3.22Å; A793-L797 PolarHBondContact O-N 2.99Å; R794-L797 PolarHBondContact O-N 2.99Å; L797-N799 VanDerWaalsContact C-N 3.3Å; L797-N799 PolarHBondContact O-N 3.15Å; L797-Y800 PolarHBondContact O-N 3.39Å; L797-Y801 HydrophobicContact CD2-CD2 4.25Å; L797-Y801 HydrophobicContact CD2-CE2 3.75Å; L797-Y801 WeakPolarHBondContact O-CD2 3.46Å; L797-Y801 PolarHBondContact O-N 3.49Å |
| 798 | L | 95.6 | Very high | 94 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 175 | -73.8 | 176.9 | 0 | 0 | 0 | 111.1 | R794 K802 E826 E829 A830 | R794-L798 WeakPolarHBondContact O-CG 3.46Å; R794-L798 PolarHBondContact O-N 3.17Å; L798-K802 WeakPolarHBondContact O-CB 3.14Å; L798-K802 PolarHBondContact O-N 2.84Å; L798-E826 HydrophobicContact CD2-CB 3.78Å; L798-E826 HydrophobicContact CD2-CG 3.68Å; L798-E829 HydrophobicContact CD1-CB 4.04Å; L798-A830 HydrophobicContact CB-CB 4.48Å |
| 799 | N | 95.2 | Very high | 94.5 | Very high | 117 Ų | 117 | 52.5 Ų | 52.5 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 177 | -174.4 | 56.8 | 0 | 0 | 0 | 112.2 | R795 W796 L797 K802 | R795-N799 WeakPolarHBondContact O-CB 3.45Å; R795-N799 PolarHBondContact O-N 3.32Å; R795-N799 VanDerWaalsContact O-N 3.07Å; W796-N799 PolarHBondContact O-N 3.43Å; L797-N799 VanDerWaalsContact C-N 3.3Å; L797-N799 PolarHBondContact O-N 3.15Å; N799-K802 WeakPolarHBondContact O-CB 3.38Å; N799-K802 PolarHBondContact O-N 3.11Å |
| 800 | Y | 95.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 58.8 Ų | 58.8 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 177.9 | 176.7 | -93.1 | 0 | 0 | 0 | 112.1 | L701 H705 W796 L797 | L701-Y800 HydrophobicContact CB-CE1 3.87Å; L701-Y800 HydrophobicContact CD1-CD1 4.24Å; L701-Y800 HydrophobicContact CD1-CD2 4.25Å; L701-Y800 HydrophobicContact CD1-CE1 3.88Å; L701-Y800 HydrophobicContact CD1-CE2 3.88Å; L701-Y800 HydrophobicContact CD1-CG 4.42Å; L701-Y800 HydrophobicContact CD2-CD1 4.49Å; L701-Y800 HydrophobicContact CD2-CE1 4.37Å; L701-Y800 HydrophobicContact CG-CE1 4.28Å; H705-Y800 PolarHBondContact CE1-OH 2.95Å; H705-Y800 AromaticContact NE2-CE1 3.64Å; H705-Y800 AromaticContact NE2-CZ 3.66Å; H705-Y800 PolarHBondContact NE2-OH 3.34Å; W796-Y800 AromaticContact CH2-CD2 3.47Å; W796-Y800 HydrophobicContact CH2-CD2 3.47Å; W796-Y800 VanDerWaalsContact CH2-CD2 3.47Å; W796-Y800 HydrophobicContact CH2-CE2 4.13Å; W796-Y800 AromaticContact CH2-CG 3.8Å; W796-Y800 HydrophobicContact CH2-CG 3.8Å; W796-Y800 HydrophobicContact CZ2-CD2 4.25Å; W796-Y800 HydrophobicContact CZ3-CD1 4.33Å; W796-Y800 AromaticContact CZ3-CD2 3.86Å; W796-Y800 HydrophobicContact CZ3-CD2 3.86Å; W796-Y800 AromaticContact CZ3-CG 3.66Å; W796-Y800 HydrophobicContact CZ3-CG 3.66Å; W796-Y800 WeakPolarHBondContact O-CB 3.18Å; W796-Y800 PolarHBondContact O-N 2.95Å; L797-Y800 PolarHBondContact O-N 3.39Å |
| 801 | Y | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -82.3 | -9.5 | -177.3 | -72.3 | -59.5 | 0 | 0 | 0 | 114.3 | P655 L701 H705 L797 S803 H804 N805 | P655-Y801 HydrophobicContact CB-CD1 4.07Å; P655-Y801 HydrophobicContact CB-CD2 3.85Å; P655-Y801 HydrophobicContact CB-CE1 3.98Å; P655-Y801 HydrophobicContact CB-CE2 3.72Å; P655-Y801 HydrophobicContact CB-CG 4.02Å; P655-Y801 HydrophobicContact CG-CD1 4.19Å; P655-Y801 HydrophobicContact CG-CD2 3.84Å; P655-Y801 HydrophobicContact CG-CE2 4.24Å; P655-Y801 HydrophobicContact CG-CG 3.81Å; L701-Y801 VanDerWaalsContact CA-OH 3.28Å; L701-Y801 WeakPolarHBondContact CA-OH 3.44Å; L701-Y801 HydrophobicContact CD2-CE2 4.33Å; L701-Y801 PolarHBondContact O-OH 3.28Å; H705-Y801 AromaticContact CD2-CE1 3.92Å; L797-Y801 HydrophobicContact CD2-CD2 4.25Å; L797-Y801 HydrophobicContact CD2-CE2 3.75Å; L797-Y801 WeakPolarHBondContact O-CD2 3.46Å; L797-Y801 PolarHBondContact O-N 3.49Å; Y801-S803 VanDerWaalsContact C-N 3.32Å; Y801-S803 PolarHBondContact O-N 2.98Å; Y801-H804 HydrophobicContact CD1-CB 4.43Å; Y801-H804 PolarHBondContact O-N 3.39Å; Y801-N805 WeakPolarHBondContact O-CB 3.4Å; Y801-N805 PolarHBondContact O-N 2.78Å |
| 802 | K | 94.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -46.2 | -50.7 | -177.3 | -175.3 | 175.7 | -176 | 165.5 | 0 | 113.5 | L798 N799 A806 A830 | L798-K802 WeakPolarHBondContact O-CB 3.14Å; L798-K802 PolarHBondContact O-N 2.84Å; N799-K802 WeakPolarHBondContact O-CB 3.38Å; N799-K802 PolarHBondContact O-N 3.11Å; K802-A806 WeakPolarHBondContact O-CB 3.43Å; K802-A806 PolarHBondContact O-N 3.39Å; K802-A830 HydrophobicContact CB-CB 4.25Å; K802-A830 HydrophobicContact CD-CB 4.01Å; K802-A830 WeakPolarHBondContact CE-O 3.32Å; K802-A830 HydrophobicContact CG-CB 4.01Å; K802-A830 PolarHBondContact NZ-O 3.04Å |
| 803 | S | 92 | Very high | 94.6 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | -179.1 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | Y801 A806 A807 | Y801-S803 VanDerWaalsContact C-N 3.32Å; Y801-S803 PolarHBondContact O-N 2.98Å; S803-A806 PolarHBondContact O-N 3.4Å; S803-A807 PolarHBondContact O-N 3.26Å; S803-A807 VanDerWaalsContact O-N 3.07Å |
| 804 | H | 93.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.8 | -65.9 | -78.4 | 0 | 0 | 0 | 112 | H705 S707 Y801 A807 L808 | H705-H804 AromaticContact CD2-CD2 3.96Å; H705-H804 AromaticContact CD2-CE1 3.56Å; H705-H804 AromaticContact CD2-CG 3.96Å; H705-H804 AromaticContact CD2-ND1 3.73Å; H705-H804 AromaticContact CD2-NE2 3.72Å; H705-H804 AromaticContact CE1-CE1 3.73Å; H705-H804 AromaticContact CE1-NE2 3.94Å; H705-H804 AromaticContact CG-CE1 3.67Å; H705-H804 AromaticContact CG-ND1 3.78Å; H705-H804 AromaticContact ND1-CE1 3.77Å; H705-H804 AromaticContact NE2-CE1 3.62Å; H705-H804 AromaticContact NE2-NE2 3.51Å; S707-H804 PolarHBondContact OG-O 3.43Å; Y801-H804 HydrophobicContact CD1-CB 4.43Å; Y801-H804 PolarHBondContact O-N 3.39Å; H804-A807 PolarHBondContact O-N 2.97Å; H804-L808 PolarHBondContact O-N 2.93Å |
| 805 | N | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 176.2 | -80.2 | -2.4 | 0 | 0 | 0 | 111.5 | Y801 A807 L808 L809 L823 E826 L827 | Y801-N805 WeakPolarHBondContact O-CB 3.4Å; Y801-N805 PolarHBondContact O-N 2.78Å; N805-A807 VanDerWaalsContact C-N 3.32Å; N805-A807 PolarHBondContact O-N 3.15Å; N805-L808 WeakPolarHBondContact O-CB 3.43Å; N805-L808 PolarHBondContact O-N 3.13Å; N805-L809 PolarHBondContact O-N 2.92Å; N805-L823 HydrophobicContact CB-CD1 3.56Å; N805-E826 PolarHBondContact ND2-OE2 3.18Å; N805-L827 HydrophobicContact CB-CD2 3.86Å; N805-L827 HydrophobicContact CB-CG 4.18Å |
| 806 | A | 93.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K802 S803 L808 L809 Q810 L827 | K802-A806 WeakPolarHBondContact O-CB 3.43Å; K802-A806 PolarHBondContact O-N 3.39Å; S803-A806 PolarHBondContact O-N 3.4Å; A806-L808 VanDerWaalsContact C-N 3.34Å; A806-L809 PolarHBondContact O-N 2.81Å; A806-Q810 PolarHBondContact O-N 3.49Å; A806-Q810 VanDerWaalsContact O-N 3.14Å; A806-L827 HydrophobicContact CB-CD2 4.33Å |
| 807 | A | 92 | Very high | 93.8 | Very high | 38 Ų | 38 | 54 Ų | 54 | 31% | 0.314 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S803 H804 N805 L811 | S803-A807 PolarHBondContact O-N 3.26Å; S803-A807 VanDerWaalsContact O-N 3.07Å; H804-A807 PolarHBondContact O-N 2.97Å; N805-A807 VanDerWaalsContact C-N 3.32Å; N805-A807 PolarHBondContact O-N 3.15Å; A807-L811 WeakPolarHBondContact O-CB 3.43Å; A807-L811 PolarHBondContact O-N 2.98Å |
| 808 | L | 95.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 174.6 | 179.6 | 64 | 0 | 0 | 0 | 111.5 | L652 Y706 L710 H804 N805 A806 Q810 L811 L812 W822 L823 | L652-L808 HydrophobicContact CD1-CD1 4.34Å; L652-L808 HydrophobicContact CD1-CD2 4.49Å; Y706-L808 HydrophobicContact CD2-CD2 3.86Å; Y706-L808 HydrophobicContact CG-CD2 4.49Å; L710-L808 HydrophobicContact CD1-CD1 3.74Å; H804-L808 PolarHBondContact O-N 2.93Å; N805-L808 WeakPolarHBondContact O-CB 3.43Å; N805-L808 PolarHBondContact O-N 3.13Å; A806-L808 VanDerWaalsContact C-N 3.34Å; L808-Q810 VanDerWaalsContact C-N 3.3Å; L808-Q810 PolarHBondContact O-N 2.96Å; L808-L811 WeakPolarHBondContact O-CB 3.4Å; L808-L811 PolarHBondContact O-N 3.2Å; L808-L811 VanDerWaalsContact O-N 3.11Å; L808-L812 HydrophobicContact CD1-CD1 4.32Å; L808-L812 HydrophobicContact CD1-CD2 4.4Å; L808-L812 HydrophobicContact CD1-CG 4.09Å; L808-L812 HydrophobicContact CG-CD1 4.12Å; L808-L812 HydrophobicContact CG-CG 4.29Å; L808-L812 WeakPolarHBondContact O-CG 3.5Å; L808-L812 PolarHBondContact O-N 2.66Å; L808-W822 HydrophobicContact CD2-CH2 3.76Å; L808-W822 HydrophobicContact CD2-CZ2 4.48Å; L808-L823 HydrophobicContact CB-CD2 4.5Å; L808-L823 HydrophobicContact CD2-CD1 4.26Å; L808-L823 HydrophobicContact CD2-CD2 4Å; L808-L823 HydrophobicContact CG-CD2 4.04Å |
| 809 | L | 95.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.8 | -46 | 177.1 | 178.5 | 62.2 | 0 | 0 | 0 | 111.3 | N805 A806 L811 L812 S813 A819 L823 L827 | N805-L809 PolarHBondContact O-N 2.92Å; A806-L809 PolarHBondContact O-N 2.81Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L809-L811 PolarHBondContact O-N 3.03Å; L809-L812 PolarHBondContact O-N 3.36Å; L809-S813 WeakPolarHBondContact O-CB 3.44Å; L809-S813 PolarHBondContact O-N 3.39Å; L809-A819 HydrophobicContact CD1-CB 3.44Å; L809-A819 VanDerWaalsContact CD1-CB 3.44Å; L809-L823 HydrophobicContact CB-CD2 4.16Å; L809-L823 HydrophobicContact CD1-CD2 4.42Å; L809-L827 HydrophobicContact CB-CD1 4.14Å; L809-L827 HydrophobicContact CD2-CD1 3.72Å |
| 810 | Q | 92.8 | Very high | 93.2 | Very high | 149 Ų | 149 | 58 Ų | 58 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 176.3 | -171.1 | -177.8 | 21.8 | 0 | 0 | 112.1 | A806 L808 R814 | A806-Q810 PolarHBondContact O-N 3.49Å; A806-Q810 VanDerWaalsContact O-N 3.14Å; L808-Q810 VanDerWaalsContact C-N 3.3Å; L808-Q810 PolarHBondContact O-N 2.96Å; Q810-R814 WeakPolarHBondContact O-CB 3.43Å; Q810-R814 PolarHBondContact O-N 3.37Å |
| 811 | L | 91.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 177.2 | 175.8 | 62.5 | 0 | 0 | 0 | 111.5 | L710 E711 L714 A807 L808 L809 R814 L815 | L710-L811 HydrophobicContact CB-CD2 3.67Å; L710-L811 HydrophobicContact CD1-CD2 4.07Å; E711-L811 HydrophobicContact CG-CD1 4.29Å; E711-L811 HydrophobicContact CG-CD2 4.23Å; L714-L811 HydrophobicContact CD1-CD1 4.01Å; A807-L811 WeakPolarHBondContact O-CB 3.43Å; A807-L811 PolarHBondContact O-N 2.98Å; L808-L811 WeakPolarHBondContact O-CB 3.4Å; L808-L811 PolarHBondContact O-N 3.2Å; L808-L811 VanDerWaalsContact O-N 3.11Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L809-L811 PolarHBondContact O-N 3.03Å; L811-R814 WeakPolarHBondContact O-CB 3.5Å; L811-R814 PolarHBondContact O-N 3.48Å; L811-L815 HydrophobicContact CD1-CD1 3.91Å; L811-L815 HydrophobicContact CD1-CG 4.23Å; L811-L815 HydrophobicContact CG-CD1 3.96Å; L811-L815 VanDerWaalsContact O-CG 3.27Å; L811-L815 WeakPolarHBondContact O-CG 3.44Å; L811-L815 PolarHBondContact O-N 3.24Å |
| 812 | L | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | -179.8 | -68.1 | -179.5 | 0 | 0 | 0 | 111.5 | I724 L808 L809 R814 L815 G816 Y817 P820 L823 | I724-L812 HydrophobicContact CD1-CD2 3.49Å; I724-L812 VanDerWaalsContact CD1-CD2 3.49Å; I724-L812 HydrophobicContact CG2-CD2 4.35Å; L808-L812 HydrophobicContact CD1-CD1 4.32Å; L808-L812 HydrophobicContact CD1-CD2 4.4Å; L808-L812 HydrophobicContact CD1-CG 4.09Å; L808-L812 HydrophobicContact CG-CD1 4.12Å; L808-L812 HydrophobicContact CG-CG 4.29Å; L808-L812 WeakPolarHBondContact O-CG 3.5Å; L808-L812 PolarHBondContact O-N 2.66Å; L809-L812 PolarHBondContact O-N 3.36Å; L812-R814 VanDerWaalsContact C-N 3.32Å; L812-R814 PolarHBondContact O-N 3.04Å; L812-L815 CarbonylContact O-C 3.47Å; L812-L815 WeakPolarHBondContact O-CA 3.44Å; L812-L815 PolarHBondContact O-N 3.46Å; L812-G816 PolarHBondContact O-N 3.24Å; L812-Y817 HydrophobicContact CD2-CG 4.43Å; L812-Y817 PolarHBondContact O-N 2.96Å; L812-P820 HydrophobicContact CD1-CG 4.34Å; L812-L823 HydrophobicContact CD1-CD2 4Å |
| 813 | S | 93.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.8 | -43.7 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | L809 L815 G816 | L809-S813 WeakPolarHBondContact O-CB 3.44Å; L809-S813 PolarHBondContact O-N 3.39Å; S813-L815 PolarHBondContact O-N 3.34Å; S813-G816 PolarHBondContact O-N 3.19Å; S813-G816 VanDerWaalsContact O-N 3.1Å |
| 814 | R | 89.7 | Confident | 92.6 | Very high | 165 Ų | 165 | 56.1 Ų | 56.1 | 62% | 0.623 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 175.4 | 179.2 | 176.9 | 68.4 | 179.8 | -1.1 | 112.9 | E711 Q810 L811 L812 G816 | E711-R814 IonicContact OE1-CZ 2.7Å; E711-R814 IonicContact OE1-NH1 3.18Å; E711-R814 IonicContact OE1-NH2 3.92Å; E711-R814 PolarHBondContact OE1-NH2 3.09Å; Q810-R814 WeakPolarHBondContact O-CB 3.43Å; Q810-R814 PolarHBondContact O-N 3.37Å; L811-R814 WeakPolarHBondContact O-CB 3.5Å; L811-R814 PolarHBondContact O-N 3.48Å; L812-R814 VanDerWaalsContact C-N 3.32Å; L812-R814 PolarHBondContact O-N 3.04Å; R814-G816 VanDerWaalsContact C-N 3.33Å |
| 815 | L | 91.6 | Very high | 92.5 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -85.8 | -5.2 | 178.9 | -65.9 | 172.4 | 0 | 0 | 0 | 112.8 | L714 A719 I724 L811 L812 S813 Y817 | L714-L815 HydrophobicContact CD1-CD1 3.83Å; L714-L815 HydrophobicContact CD1-CD2 4.21Å; L714-L815 HydrophobicContact CD2-CD2 4.17Å; A719-L815 HydrophobicContact CB-CD2 3.81Å; I724-L815 HydrophobicContact CD1-CD1 4.48Å; L811-L815 HydrophobicContact CD1-CD1 3.91Å; L811-L815 HydrophobicContact CD1-CG 4.23Å; L811-L815 HydrophobicContact CG-CD1 3.96Å; L811-L815 VanDerWaalsContact O-CG 3.27Å; L811-L815 WeakPolarHBondContact O-CG 3.44Å; L811-L815 PolarHBondContact O-N 3.24Å; L812-L815 CarbonylContact O-C 3.47Å; L812-L815 WeakPolarHBondContact O-CA 3.44Å; L812-L815 PolarHBondContact O-N 3.46Å; S813-L815 PolarHBondContact O-N 3.34Å; L815-Y817 HydrophobicContact CB-CD2 3.65Å; L815-Y817 HydrophobicContact CB-CE2 4.06Å |
| 816 | G | 92.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 19.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L812 S813 R814 | L812-G816 PolarHBondContact O-N 3.24Å; S813-G816 PolarHBondContact O-N 3.19Å; S813-G816 VanDerWaalsContact O-N 3.1Å; R814-G816 VanDerWaalsContact C-N 3.33Å |
| 817 | Y | 91.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 141.8 | 175.2 | -76.2 | -86.7 | 0 | 0 | 0 | 111.5 | I722 N723 I724 L812 L815 | I722-Y817 PolarHBondContact O-OH 3.21Å; N723-Y817 WeakPolarHBondContact CA-OH 3.41Å; I724-Y817 HydrophobicContact CB-CD1 4.05Å; I724-Y817 HydrophobicContact CB-CE1 3.81Å; I724-Y817 HydrophobicContact CD1-CD2 4.15Å; I724-Y817 HydrophobicContact CD1-CE2 4.06Å; I724-Y817 HydrophobicContact CG1-CE1 4.32Å; I724-Y817 HydrophobicContact CG1-CE2 4.26Å; I724-Y817 PolarHBondContact N-OH 3.25Å; L812-Y817 HydrophobicContact CD2-CG 4.43Å; L812-Y817 PolarHBondContact O-N 2.96Å; L815-Y817 HydrophobicContact CB-CD2 3.65Å; L815-Y817 HydrophobicContact CB-CE2 4.06Å |
| 818 | E | 90.7 | Very high | 92.3 | Very high | 185 Ų | 185 | 65 Ų | 65 | 86% | 0.864 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 141.3 | 164 | -66.2 | -173.9 | 171.8 | 0 | 0 | 110.2 | ||
| 819 | A | 91.1 | Very high | 92 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 129.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L809 L823 Q824 | L809-A819 HydrophobicContact CD1-CB 3.44Å; L809-A819 VanDerWaalsContact CD1-CB 3.44Å; A819-L823 HydrophobicContact CB-CD2 4.42Å; A819-Q824 HydrophobicContact CB-CG 4.01Å; A819-Q824 PolarHBondContact O-NE2 3.02Å |
| 820 | P | 92.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 147 | 174.3 | -29.4 | 35.7 | 0 | 0 | 0 | 112.7 | D726 L812 W822 L823 Q824 | D726-P820 HydrophobicContact CB-CB 4.12Å; D726-P820 HydrophobicContact CB-CG 4.4Å; D726-P820 WeakPolarHBondContact OD2-CA 3.46Å; D726-P820 WeakPolarHBondContact OD2-CB 3.3Å; L812-P820 HydrophobicContact CD1-CG 4.34Å; P820-W822 VanDerWaalsContact C-N 3.32Å; P820-W822 HydrophobicContact CB-CD2 4.25Å; P820-W822 HydrophobicContact CB-CG 4.25Å; P820-W822 HydrophobicContact CB-CZ2 4.07Å; P820-W822 HydrophobicContact CG-CZ2 4.12Å; P820-W822 PolarHBondContact O-N 3.27Å; P820-L823 HydrophobicContact CB-CB 4.27Å; P820-L823 WeakPolarHBondContact O-CB 3.17Å; P820-L823 PolarHBondContact O-N 3.18Å; P820-Q824 PolarHBondContact O-N 2.77Å |
| 821 | S | 88.2 | Confident | 90.7 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | -176.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | D726 L823 Q824 Q825 | D726-S821 PolarHBondContact OD2-N 2.92Å; D726-S821 VanDerWaalsContact OD2-N 3.15Å; D726-S821 PolarHBondContact OD2-OG 2.88Å; S821-L823 VanDerWaalsContact C-N 3.28Å; S821-L823 PolarHBondContact O-N 3.11Å; S821-Q824 PolarHBondContact O-N 3.15Å; S821-Q825 PolarHBondContact O-N 3.2Å |
| 822 | W | 92.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.038 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -35 | 176 | 63.7 | -99.3 | 0 | 0 | 0 | 112.4 | L652 I653 P655 Y706 D726 L808 P820 Q825 E826 | L652-W822 HydrophobicContact CB-CZ2 3.94Å; I653-W822 WeakPolarHBondContact O-CH2 3.47Å; I653-W822 WeakPolarHBondContact O-CZ2 3.24Å; P655-W822 VanDerWaalsContact CD-CZ3 3.46Å; P655-W822 HydrophobicContact CG-CZ3 4.49Å; Y706-W822 AromaticContact CD2-CH2 3.99Å; Y706-W822 HydrophobicContact CD2-CH2 3.99Å; Y706-W822 AromaticContact CE2-CH2 3.87Å; Y706-W822 HydrophobicContact CE2-CH2 3.87Å; Y706-W822 HydrophobicContact CE2-CZ2 4.36Å; D726-W822 VanDerWaalsContact OD1-CD1 3.31Å; D726-W822 PolarHBondContact OD1-NE1 3.03Å; L808-W822 HydrophobicContact CD2-CH2 3.76Å; L808-W822 HydrophobicContact CD2-CZ2 4.48Å; P820-W822 VanDerWaalsContact C-N 3.32Å; P820-W822 HydrophobicContact CB-CD2 4.25Å; P820-W822 HydrophobicContact CB-CG 4.25Å; P820-W822 HydrophobicContact CB-CZ2 4.07Å; P820-W822 HydrophobicContact CG-CZ2 4.12Å; P820-W822 PolarHBondContact O-N 3.27Å; W822-Q825 PolarHBondContact O-N 3.48Å; W822-E826 WeakPolarHBondContact O-CB 3.49Å; W822-E826 WeakPolarHBondContact O-CG 3.26Å; W822-E826 PolarHBondContact O-N 3.32Å |
| 823 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | -178.6 | 178.1 | 60 | 0 | 0 | 0 | 110.9 | N805 L808 L809 L812 A819 P820 S821 Q825 L827 | N805-L823 HydrophobicContact CB-CD1 3.56Å; L808-L823 HydrophobicContact CB-CD2 4.5Å; L808-L823 HydrophobicContact CD2-CD1 4.26Å; L808-L823 HydrophobicContact CD2-CD2 4Å; L808-L823 HydrophobicContact CG-CD2 4.04Å; L809-L823 HydrophobicContact CB-CD2 4.16Å; L809-L823 HydrophobicContact CD1-CD2 4.42Å; L812-L823 HydrophobicContact CD1-CD2 4Å; A819-L823 HydrophobicContact CB-CD2 4.42Å; P820-L823 HydrophobicContact CB-CB 4.27Å; P820-L823 WeakPolarHBondContact O-CB 3.17Å; P820-L823 PolarHBondContact O-N 3.18Å; S821-L823 VanDerWaalsContact C-N 3.28Å; S821-L823 PolarHBondContact O-N 3.11Å; L823-Q825 VanDerWaalsContact C-N 3.34Å; L823-L827 HydrophobicContact CD1-CD1 4.09Å; L823-L827 HydrophobicContact CD1-CG 4.39Å; L823-L827 HydrophobicContact CG-CD1 4.23Å; L823-L827 WeakPolarHBondContact O-CB 3.35Å; L823-L827 WeakPolarHBondContact O-CG 3.34Å; L823-L827 PolarHBondContact O-N 2.93Å; L823-L827 VanDerWaalsContact O-N 3.16Å |
| 824 | Q | 91.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 175.6 | -61.6 | -177.3 | 4.1 | 0 | 0 | 111.7 | A819 P820 S821 R828 | A819-Q824 HydrophobicContact CB-CG 4.01Å; A819-Q824 PolarHBondContact O-NE2 3.02Å; P820-Q824 PolarHBondContact O-N 2.77Å; S821-Q824 PolarHBondContact O-N 3.15Å; Q824-R828 WeakPolarHBondContact O-CG 3.1Å; Q824-R828 PolarHBondContact O-N 2.96Å; Q824-R828 PolarHBondContact O-NE 3.47Å |
| 825 | Q | 91.6 | Very high | 90.2 | Very high | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -53.4 | 176.9 | -179.1 | 176.6 | -2.4 | 0 | 0 | 111.7 | S821 W822 L823 L827 R828 E829 | S821-Q825 PolarHBondContact O-N 3.2Å; W822-Q825 PolarHBondContact O-N 3.48Å; L823-Q825 VanDerWaalsContact C-N 3.34Å; Q825-L827 VanDerWaalsContact C-N 3.29Å; Q825-L827 PolarHBondContact O-N 3.3Å; Q825-R828 WeakPolarHBondContact O-CB 3.12Å; Q825-R828 PolarHBondContact O-N 3.3Å; Q825-E829 HydrophobicContact CG-CG 4.4Å; Q825-E829 WeakPolarHBondContact CG-OE1 3.37Å; Q825-E829 PolarHBondContact NE2-OE1 3.4Å; Q825-E829 WeakPolarHBondContact O-CG 3.24Å; Q825-E829 PolarHBondContact O-N 3.15Å |
| 826 | E | 92.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | -178.7 | -71.9 | -172.8 | 166.8 | 0 | 0 | 112.7 | S654 P655 L798 N805 W822 R828 E829 A830 | S654-E826 WeakPolarHBondContact CB-OE1 3.35Å; S654-E826 PolarHBondContact OG-OE1 3.39Å; P655-E826 WeakPolarHBondContact CD-OE2 3.47Å; L798-E826 HydrophobicContact CD2-CB 3.78Å; L798-E826 HydrophobicContact CD2-CG 3.68Å; N805-E826 PolarHBondContact ND2-OE2 3.18Å; W822-E826 WeakPolarHBondContact O-CB 3.49Å; W822-E826 WeakPolarHBondContact O-CG 3.26Å; W822-E826 PolarHBondContact O-N 3.32Å; E826-R828 VanDerWaalsContact C-N 3.33Å; E826-E829 PolarHBondContact O-N 3.46Å; E826-A830 WeakPolarHBondContact O-CB 3.46Å; E826-A830 PolarHBondContact O-N 3.01Å |
| 827 | L | 92.1 | Very high | 90 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.2 | -34 | 175.5 | -76.3 | 171.9 | 0 | 0 | 0 | 112.6 | N805 A806 L809 L823 Q825 V831 | N805-L827 HydrophobicContact CB-CD2 3.86Å; N805-L827 HydrophobicContact CB-CG 4.18Å; A806-L827 HydrophobicContact CB-CD2 4.33Å; L809-L827 HydrophobicContact CB-CD1 4.14Å; L809-L827 HydrophobicContact CD2-CD1 3.72Å; L823-L827 HydrophobicContact CD1-CD1 4.09Å; L823-L827 HydrophobicContact CD1-CG 4.39Å; L823-L827 HydrophobicContact CG-CD1 4.23Å; L823-L827 WeakPolarHBondContact O-CB 3.35Å; L823-L827 WeakPolarHBondContact O-CG 3.34Å; L823-L827 PolarHBondContact O-N 2.93Å; L823-L827 VanDerWaalsContact O-N 3.16Å; Q825-L827 VanDerWaalsContact C-N 3.29Å; Q825-L827 PolarHBondContact O-N 3.3Å; L827-V831 WeakPolarHBondContact O-CG2 3.38Å |
| 828 | R | 91 | Very high | 89.8 | Confident | 174 Ų | 174 | 68.4 Ų | 68.4 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.1 | -40 | 173.5 | -76.1 | -177.2 | -69.6 | -167.7 | 0.4 | 111.9 | Q824 Q825 E826 A830 V831 | Q824-R828 WeakPolarHBondContact O-CG 3.1Å; Q824-R828 PolarHBondContact O-N 2.96Å; Q824-R828 PolarHBondContact O-NE 3.47Å; Q825-R828 WeakPolarHBondContact O-CB 3.12Å; Q825-R828 PolarHBondContact O-N 3.3Å; E826-R828 VanDerWaalsContact C-N 3.33Å; R828-A830 VanDerWaalsContact C-N 3.33Å; R828-V831 PolarHBondContact O-N 3.21Å |
| 829 | E | 89.1 | Confident | 89.8 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.2 | -22.7 | 179.6 | -69.1 | -178.8 | -163 | 0 | 0 | 113.6 | R794 L798 Q825 E826 V831 | R794-E829 IonicContact CZ-OE2 3.98Å; R794-E829 IonicContact NH1-OE2 3.64Å; R794-E829 PolarHBondContact NH1-OE2 2.94Å; L798-E829 HydrophobicContact CD1-CB 4.04Å; Q825-E829 HydrophobicContact CG-CG 4.4Å; Q825-E829 WeakPolarHBondContact CG-OE1 3.37Å; Q825-E829 PolarHBondContact NE2-OE1 3.4Å; Q825-E829 WeakPolarHBondContact O-CG 3.24Å; Q825-E829 PolarHBondContact O-N 3.15Å; E826-E829 PolarHBondContact O-N 3.46Å; E829-V831 VanDerWaalsContact C-N 3.33Å |
| 830 | A | 83.5 | Confident | 89.7 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L798 K802 E826 R828 | L798-A830 HydrophobicContact CB-CB 4.48Å; K802-A830 HydrophobicContact CB-CB 4.25Å; K802-A830 HydrophobicContact CD-CB 4.01Å; K802-A830 WeakPolarHBondContact CE-O 3.32Å; K802-A830 HydrophobicContact CG-CB 4.01Å; K802-A830 PolarHBondContact NZ-O 3.04Å; E826-A830 WeakPolarHBondContact O-CB 3.46Å; E826-A830 PolarHBondContact O-N 3.01Å; R828-A830 VanDerWaalsContact C-N 3.33Å |
| 831 | V | 76.5 | Confident | 89.4 | Confident | 159 Ų | 159 | 67.5 Ų | 67.5 | 96% | 0.964 | 34% | 0.342 | S | S | * | . | trans | -90.7 | 0 | 171.7 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | L827 R828 E829 | L827-V831 WeakPolarHBondContact O-CG2 3.38Å; R828-V831 PolarHBondContact O-N 3.21Å; E829-V831 VanDerWaalsContact C-N 3.33Å |
Retrieved 831 of 831 residues in 381.7 ms
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