| 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 | 91.5 | Very high | 75 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | 0 | 144.8 | 0 | -177.8 | 168.2 | -128.4 | 0 | 0 | 110.3 | R17 L19 Y110 E111 L135 G136 F180 V184 | M1-R17 HydrophobicContact CE-CB 4Å; M1-R17 HydrophobicContact SD-CB 4.04Å; M1-R17 HydrophobicContact SD-CG 4.11Å; M1-L19 HydrophobicContact CE-CD2 3.83Å; M1-Y110 VanDerWaalsContact N-CE2 3.34Å; M1-Y110 VanDerWaalsContact O-CD2 3.31Å; M1-Y110 WeakPolarHBondContact O-CD2 3.34Å; M1-E111 PolarHBondContact N-O 3.02Å; M1-E111 PolarHBondContact O-N 2.9Å; M1-L135 VanDerWaalsContact CB-O 3.24Å; M1-L135 WeakPolarHBondContact CB-O 3.24Å; M1-L135 HydrophobicContact CE-CB 4.28Å; M1-L135 HydrophobicContact CE-CD2 3.58Å; M1-L135 WeakPolarHBondContact CE-O 3.47Å; M1-L135 VanDerWaalsContact CG-O 3.28Å; M1-L135 WeakPolarHBondContact CG-O 3.31Å; M1-L135 HydrophobicContact SD-CD2 4.37Å; M1-G136 VanDerWaalsContact CA-O 3.27Å; M1-G136 WeakPolarHBondContact CA-O 3.36Å; M1-G136 PolarHBondContact N-O 3.49Å; M1-F180 HydrophobicContact SD-CE1 4.47Å; M1-F180 HydrophobicContact SD-CE2 4.46Å; M1-F180 HydrophobicContact SD-CZ 3.8Å; M1-V184 HydrophobicContact CE-CG1 4.13Å; M1-V184 HydrophobicContact CE-CG2 4.12Å | |||
| 2 | W | 94.8 | Very high | 73 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 5% | 0.049 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 147.4 | 172.5 | -69.9 | 92.1 | 0 | 0 | 0 | 112.2 | L18 V50 P64 L66 V108 Y110 | W2-L18 HydrophobicContact CB-CB 4.39Å; W2-L18 HydrophobicContact CB-CD1 4.45Å; W2-L18 PolarHBondContact O-N 3.03Å; W2-V50 HydrophobicContact CB-CG2 4.09Å; W2-V50 HydrophobicContact CG-CG2 4.21Å; W2-P64 PolarHBondContact NE1-O 2.76Å; W2-L66 HydrophobicContact CD2-CB 3.62Å; W2-L66 HydrophobicContact CD2-CD2 4.14Å; W2-L66 HydrophobicContact CD2-CG 4.49Å; W2-L66 HydrophobicContact CE3-CB 4Å; W2-L66 HydrophobicContact CE3-CD2 3.87Å; W2-L66 HydrophobicContact CG-CB 3.95Å; W2-L66 HydrophobicContact CG-CD2 4.45Å; W2-L66 HydrophobicContact CH2-CB 4.36Å; W2-L66 HydrophobicContact CZ2-CB 4.04Å; W2-L66 HydrophobicContact CZ3-CB 4.34Å; W2-L66 HydrophobicContact CZ3-CD2 4.42Å; W2-V108 HydrophobicContact CE3-CG1 3.52Å; W2-V108 HydrophobicContact CZ3-CG1 3.47Å; W2-V108 VanDerWaalsContact CZ3-CG1 3.47Å; W2-Y110 AromaticContact CD1-CD2 3.97Å; W2-Y110 AromaticContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CG 4.49Å; W2-Y110 AromaticContact CE2-CD2 3.68Å; W2-Y110 HydrophobicContact CG-CD2 4.11Å; W2-Y110 HydrophobicContact CZ2-CD2 4.17Å; W2-Y110 HydrophobicContact CZ2-CG 4.44Å; W2-Y110 AromaticContact NE1-CD2 3.68Å |
| 3 | K | 93.4 | Very high | 72.2 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 10% | 0.104 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.7 | 173.9 | 64.7 | -167.5 | 175.1 | -174.4 | 0 | 111.7 | P15 C16 R17 E109 E111 | K3-P15 HydrophobicContact CB-CB 4.31Å; K3-P15 HydrophobicContact CD-CB 4.32Å; K3-C16 CarbonylContact C-O 3.49Å; K3-C16 WeakPolarHBondContact CA-O 3.49Å; K3-R17 HydrophobicContact CB-CG 4.23Å; K3-E109 VanDerWaalsContact CE-CD 3.49Å; K3-E109 WeakPolarHBondContact CE-OE1 3.44Å; K3-E109 HydrophobicContact CG-CB 4.04Å; K3-E109 PolarHBondContact N-O 3.36Å; K3-E109 IonicContact NZ-OE1 2.72Å; K3-E109 PolarHBondContact NZ-OE1 3.26Å; K3-E109 PolarHBondContact O-N 3.19Å; K3-E111 WeakPolarHBondContact CE-OE2 3.33Å; K3-E111 IonicContact NZ-OE2 2.71Å; K3-E111 PolarHBondContact NZ-OE2 2.89Å |
| 4 | L | 92.8 | Very high | 72 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.7 | 169.5 | -70.2 | 171.2 | 0 | 0 | 0 | 110.2 | P15 C16 L18 I33 L48 F106 V108 | L4-P15 WeakPolarHBondContact O-CA 3.32Å; L4-C16 HydrophobicContact CB-CB 4.18Å; L4-C16 PolarHBondContact N-O 3.36Å; L4-C16 PolarHBondContact O-N 2.91Å; L4-L18 HydrophobicContact CD1-CD1 4.46Å; L4-L18 HydrophobicContact CG-CD1 4.4Å; L4-I33 HydrophobicContact CD1-CD1 3.99Å; L4-L48 HydrophobicContact CD1-CD1 3.57Å; L4-F106 HydrophobicContact CB-CD1 4.26Å; L4-F106 HydrophobicContact CD2-CB 4.46Å; L4-V108 HydrophobicContact CD2-CB 4.48Å; L4-V108 HydrophobicContact CD2-CG2 3.87Å |
| 5 | L | 91.3 | Very high | 73 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.2 | 178.1 | -67.3 | 163.8 | 0 | 0 | 0 | 109.2 | A7 P15 F106 R107 E109 | L5-A7 PolarHBondContact O-N 3.03Å; L5-P15 HydrophobicContact CD2-CB 3.9Å; L5-F106 CarbonylContact O-C 3.48Å; L5-F106 VanDerWaalsContact O-CA 3.24Å; L5-F106 WeakPolarHBondContact O-CA 3.36Å; L5-R107 HydrophobicContact CB-CB 4.49Å; L5-R107 PolarHBondContact N-O 2.65Å; L5-R107 PolarHBondContact O-N 2.71Å; L5-E109 HydrophobicContact CD1-CB 4.13Å |
| 6 | P | 88.1 | Confident | 74 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 135 | 170.4 | -21.2 | 32.8 | 0 | 0 | 0 | 110.9 | F106 | P6-F106 HydrophobicContact CB-CD1 4.49Å; P6-F106 HydrophobicContact CB-CE1 4.28Å; P6-F106 HydrophobicContact CG-CD1 4.4Å; P6-F106 HydrophobicContact CG-CE1 4.04Å |
| 7 | A | 78.4 | Confident | 75.2 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | trans | -85.5 | -9.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L5 A9 K105 | L5-A7 PolarHBondContact O-N 3.03Å; A7-A9 PolarHBondContact O-N 2.83Å; A7-K105 HydrophobicContact CB-CB 3.89Å; A7-K105 WeakPolarHBondContact CB-O 3.08Å; A7-K105 PolarHBondContact N-O 3.22Å | ||
| 8 | A | 65.8 | Low | 76.3 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | trans | -81.7 | 109.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A10 | A8-A10 PolarHBondContact O-N 2.87Š| ||
| 9 | A | 47.5 | Very low | 77.3 | Confident | 114 Ų | 114 | 51.2 Ų | 51.2 | 94% | 0.942 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 11.9 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | A7 | A7-A9 PolarHBondContact O-N 2.83Š|
| 10 | A | 39.3 | Very low | 78.1 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 84% | 0.835 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A8 | A8-A10 PolarHBondContact O-N 2.87Š|
| 11 | A | 42.8 | Very low | 78.7 | Confident | 68 Ų | 68 | 50 Ų | 50 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -154.5 | 139.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G13 | A11-G13 PolarHBondContact O-N 2.76Š|
| 12 | P | 50.3 | Low | 78.8 | Confident | 134 Ų | 134 | 52.3 Ų | 52.3 | 87% | 0.87 | 37% | 0.371 | S | S | * | . | trans | -74.4 | 76.2 | 170.4 | 32.3 | -34.3 | 0 | 0 | 0 | 109.9 | E14 | P12-E14 PolarHBondContact O-N 3.46Š| ||
| 13 | G | 62.3 | Low | 78.8 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 127 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | A11 | A11-G13 PolarHBondContact O-N 2.76Š|
| 14 | E | 70.4 | Confident | 78.8 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 142.6 | -176.9 | -64.9 | -167.6 | 176.2 | 0 | 0 | 111.8 | P12 C16 Q189 | P12-E14 PolarHBondContact O-N 3.46Å; E14-C16 PolarHBondContact O-N 2.72Å; E14-Q189 VanDerWaalsContact OE1-CG 3.24Å; E14-Q189 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q189 PolarHBondContact OE1-NE2 3.27Å |
| 15 | P | 85.8 | Confident | 79 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 25% | 0.247 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 119.3 | -180 | 22.4 | -32.1 | 0 | 0 | 0 | 111.4 | K3 L4 L5 R17 | K3-P15 HydrophobicContact CB-CB 4.31Å; K3-P15 HydrophobicContact CD-CB 4.32Å; L4-P15 WeakPolarHBondContact O-CA 3.32Å; L5-P15 HydrophobicContact CD2-CB 3.9Å; P15-R17 PolarHBondContact O-N 3.27Å |
| 16 | C | 90.2 | Very high | 79.1 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 91.9 | 173.5 | -76.1 | 0 | 0 | 0 | 0 | 109.5 | K3 L4 E14 | K3-C16 CarbonylContact C-O 3.49Å; K3-C16 WeakPolarHBondContact CA-O 3.49Å; L4-C16 HydrophobicContact CB-CB 4.18Å; L4-C16 PolarHBondContact N-O 3.36Å; L4-C16 PolarHBondContact O-N 2.91Å; E14-C16 PolarHBondContact O-N 2.72Å |
| 17 | R | 93.7 | Very high | 79.4 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 19% | 0.192 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 140.5 | 174.7 | -68.6 | 177.3 | -178.9 | 86 | 0.1 | 110.8 | M1 K3 P15 V184 P190 | M1-R17 HydrophobicContact CE-CB 4Å; M1-R17 HydrophobicContact SD-CB 4.04Å; M1-R17 HydrophobicContact SD-CG 4.11Å; K3-R17 HydrophobicContact CB-CG 4.23Å; P15-R17 PolarHBondContact O-N 3.27Å; R17-V184 HydrophobicContact CB-CG1 3.95Å; R17-V184 HydrophobicContact CB-CG2 4.14Å; R17-P190 VanDerWaalsContact CZ-CG 3.45Å |
| 18 | L | 94.6 | Very high | 80 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.1 | -174.9 | -52.8 | 178.6 | 0 | 0 | 0 | 110.1 | W2 L4 Y24 I33 V50 L66 | W2-L18 HydrophobicContact CB-CB 4.39Å; W2-L18 HydrophobicContact CB-CD1 4.45Å; W2-L18 PolarHBondContact O-N 3.03Å; L4-L18 HydrophobicContact CD1-CD1 4.46Å; L4-L18 HydrophobicContact CG-CD1 4.4Å; L18-Y24 HydrophobicContact CB-CD2 4.37Å; L18-Y24 HydrophobicContact CB-CE2 4.03Å; L18-Y24 HydrophobicContact CD2-CD1 3.93Å; L18-Y24 HydrophobicContact CD2-CD2 3.83Å; L18-Y24 HydrophobicContact CD2-CE1 4.15Å; L18-Y24 HydrophobicContact CD2-CE2 4.04Å; L18-Y24 HydrophobicContact CD2-CG 3.76Å; L18-I33 HydrophobicContact CD2-CD1 4.1Å; L18-V50 HydrophobicContact CB-CG2 3.76Å; L18-V50 HydrophobicContact CD1-CG2 4.31Å; L18-L66 HydrophobicContact CD1-CD1 3.67Å; L18-L66 HydrophobicContact CD1-CD2 4.31Å |
| 19 | L | 95 | Very high | 81.1 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | trans | -82.8 | 150.7 | 174.8 | -60.8 | 175.7 | 0 | 0 | 0 | 111 | M1 V22 Y24 Q134 L135 L181 V184 E185 | M1-L19 HydrophobicContact CE-CD2 3.83Å; L19-V22 HydrophobicContact CB-CB 4.42Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; L19-Y24 WeakPolarHBondContact CB-OH 3.14Å; L19-Y24 WeakPolarHBondContact CG-OH 3.44Å; L19-Y24 PolarHBondContact N-OH 3.41Å; L19-Q134 CarbonylContact C-O 3.51Å; L19-Q134 VanDerWaalsContact CA-O 3.28Å; L19-Q134 WeakPolarHBondContact CA-O 3.31Å; L19-Q134 WeakPolarHBondContact CB-O 3.37Å; L19-Q134 WeakPolarHBondContact CD2-O 3.24Å; L19-L135 HydrophobicContact CD2-CD2 3.95Å; L19-L181 HydrophobicContact CD1-CD1 3.94Å; L19-L181 HydrophobicContact CD2-CD1 3.66Å; L19-L181 HydrophobicContact CG-CD1 4.46Å; L19-V184 HydrophobicContact CD1-CG1 4.26Å; L19-V184 HydrophobicContact CD2-CB 4.19Å; L19-V184 HydrophobicContact CD2-CG1 3.67Å; L19-V184 HydrophobicContact CG-CG1 3.78Å; L19-E185 HydrophobicContact CD1-CG 3.78Å | ||
| 20 | A | 93.7 | Very high | 83.1 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 144.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V22 V50 F52 L133 Q134 | A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.27Å; A20-V50 CarbonylContact C-O 3.6Å; A20-V50 WeakPolarHBondContact CA-O 3.37Å; A20-V50 HydrophobicContact CB-CG1 4.15Å; A20-F52 HydrophobicContact CB-CD2 4.13Å; A20-F52 HydrophobicContact CB-CE2 3.59Å; A20-L133 WeakPolarHBondContact CB-O 3.47Å; A20-Q134 PolarHBondContact N-O 3.03Å |
| 21 | G | 90.5 | Very high | 85.4 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 10.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | V50 | G21-V50 PolarHBondContact N-O 3.29Š|
| 22 | V | 93.4 | Very high | 87.6 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 35% | 0.352 | 34% | 0.336 | S | S | . | . | trans | -112.8 | 132.2 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | L19 A20 Y24 | L19-V22 HydrophobicContact CB-CB 4.42Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.27Å; V22-Y24 HydrophobicContact CB-CD2 4.29Å; V22-Y24 HydrophobicContact CB-CE2 3.66Å; V22-Y24 HydrophobicContact CG1-CD2 4.03Å; V22-Y24 HydrophobicContact CG1-CE1 4.37Å; V22-Y24 HydrophobicContact CG1-CE2 3.58Å; V22-Y24 WeakPolarHBondContact O-CD2 3.48Å | ||
| 23 | E | 94.8 | Very high | 89.5 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.6 | 173 | -61 | -157.8 | 146.9 | 0 | 0 | 111.6 | V47 T49 | E23-V47 HydrophobicContact CB-CG1 3.96Å; E23-V47 HydrophobicContact CG-CG1 4.37Å; E23-T49 HydrophobicContact CB-CG2 4.4Å; E23-T49 HydrophobicContact CG-CG2 3.9Å |
| 24 | Y | 95 | Very high | 90.9 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 99.2 | 177.6 | -69.6 | -91.9 | 0 | 0 | 0 | 110.7 | L18 L19 V22 V26 A32 L48 | L18-Y24 HydrophobicContact CB-CD2 4.37Å; L18-Y24 HydrophobicContact CB-CE2 4.03Å; L18-Y24 HydrophobicContact CD2-CD1 3.93Å; L18-Y24 HydrophobicContact CD2-CD2 3.83Å; L18-Y24 HydrophobicContact CD2-CE1 4.15Å; L18-Y24 HydrophobicContact CD2-CE2 4.04Å; L18-Y24 HydrophobicContact CD2-CG 3.76Å; L19-Y24 WeakPolarHBondContact CB-OH 3.14Å; L19-Y24 WeakPolarHBondContact CG-OH 3.44Å; L19-Y24 PolarHBondContact N-OH 3.41Å; V22-Y24 HydrophobicContact CB-CD2 4.29Å; V22-Y24 HydrophobicContact CB-CE2 3.66Å; V22-Y24 HydrophobicContact CG1-CD2 4.03Å; V22-Y24 HydrophobicContact CG1-CE1 4.37Å; V22-Y24 HydrophobicContact CG1-CE2 3.58Å; V22-Y24 WeakPolarHBondContact O-CD2 3.48Å; Y24-V26 PolarHBondContact O-N 3.24Å; Y24-A32 HydrophobicContact CD1-CB 4.05Å; Y24-L48 PolarHBondContact N-O 2.85Å; Y24-L48 PolarHBondContact O-N 3.1Å |
| 25 | I | 95.4 | Very high | 91.8 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122 | 171.2 | -55.6 | 177.6 | 0 | 0 | 0 | 109.5 | C31 A32 I33 N44 V47 | I25-C31 HydrophobicContact CB-CB 4.35Å; I25-C31 HydrophobicContact CG2-CB 3.97Å; I25-C31 WeakPolarHBondContact O-CB 3.03Å; I25-A32 PolarHBondContact O-N 2.69Å; I25-I33 PolarHBondContact O-N 2.86Å; I25-N44 HydrophobicContact CG2-CB 4.15Å; I25-V47 HydrophobicContact CG1-CG2 4.32Å |
| 26 | V | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.7 | 167.6 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | Y24 I33 I35 H45 A46 L48 F99 | Y24-V26 PolarHBondContact O-N 3.24Å; V26-I33 WeakPolarHBondContact CA-O 3.46Å; V26-I33 HydrophobicContact CB-CB 4.5Å; V26-I33 HydrophobicContact CG1-CG2 4.22Å; V26-I33 HydrophobicContact CG2-CB 4.14Å; V26-I33 HydrophobicContact CG2-CD1 4.03Å; V26-I33 HydrophobicContact CG2-CG2 4.36Å; V26-I35 HydrophobicContact CG1-CD1 3.54Å; V26-I35 HydrophobicContact CG1-CG1 4.34Å; V26-H45 WeakPolarHBondContact O-CB 3.49Å; V26-H45 PolarHBondContact O-N 3.15Å; V26-A46 HydrophobicContact CB-CB 4.41Å; V26-A46 PolarHBondContact N-O 3.03Å; V26-A46 PolarHBondContact O-N 3.36Å; V26-L48 HydrophobicContact CG2-CD1 3.5Å; V26-L48 HydrophobicContact CG2-CG 4.33Å; V26-F99 HydrophobicContact CB-CE1 4.14Å; V26-F99 HydrophobicContact CB-CZ 4.4Å; V26-F99 HydrophobicContact CG1-CD1 3.94Å; V26-F99 HydrophobicContact CG1-CD2 4.18Å; V26-F99 HydrophobicContact CG1-CE1 3.87Å; V26-F99 HydrophobicContact CG1-CE2 4.13Å; V26-F99 HydrophobicContact CG1-CG 4.08Å; V26-F99 HydrophobicContact CG1-CZ 3.97Å; V26-F99 HydrophobicContact CG2-CE1 3.96Å; V26-F99 HydrophobicContact CG2-CZ 3.89Å |
| 27 | G | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | -174.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C31 I33 L34 I35 S42 | G27-C31 PolarHBondContact O-SG 2.63Å; G27-I33 PolarHBondContact N-O 3.43Å; G27-L34 WeakPolarHBondContact O-CA 3.28Å; G27-I35 PolarHBondContact O-N 2.84Å; G27-S42 WeakPolarHBondContact CA-O 3.34Å |
| 28 | R | 91.6 | Very high | 91 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -96.1 | -9.1 | -178.4 | 67.4 | 168.4 | 167.9 | -152.5 | -9.7 | 116.2 | L34 I35 Q39 I41 S42 | R28-L34 WeakPolarHBondContact O-CD1 3.48Å; R28-I35 WeakPolarHBondContact CA-O 3.42Å; R28-I35 WeakPolarHBondContact CB-O 3.47Å; R28-Q39 PolarHBondContact NH1-O 3.14Å; R28-I41 HydrophobicContact CB-CB 4.31Å; R28-I41 HydrophobicContact CB-CG2 3.85Å; R28-I41 WeakPolarHBondContact CD-O 3.07Å; R28-I41 HydrophobicContact CG-CG2 4.43Å; R28-I41 WeakPolarHBondContact CG-O 3.43Å; R28-I41 PolarHBondContact NE-O 3.18Å; R28-I41 PolarHBondContact NH1-O 2.97Å; R28-S42 PolarHBondContact N-O 2.95Å; R28-S42 VanDerWaalsContact N-O 3.14Å |
| 29 | K | 88.8 | Confident | 90.8 | Very high | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -158.5 | 144.1 | 177.2 | -67.4 | -158.9 | 177.6 | -158.4 | 0 | 110.5 | C31 | K29-C31 PolarHBondContact O-N 3.35Š|
| 30 | N | 87.7 | Confident | 90.6 | Very high | 169 Ų | 169 | 66.8 Ų | 66.8 | 90% | 0.904 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 55.9 | 46.7 | 170.9 | -57.3 | 15.7 | 0 | 0 | 0 | 113.8 | ||
| 31 | C | 89.4 | Confident | 90.6 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -140.1 | 163.2 | -171.2 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | I25 G27 K29 I33 | I25-C31 HydrophobicContact CB-CB 4.35Å; I25-C31 HydrophobicContact CG2-CB 3.97Å; I25-C31 WeakPolarHBondContact O-CB 3.03Å; G27-C31 PolarHBondContact O-SG 2.63Å; K29-C31 PolarHBondContact O-N 3.35Å; C31-I33 PolarHBondContact SG-O 2.86Å |
| 32 | A | 88.6 | Confident | 90.7 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -71.9 | -43.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y24 I25 K187 | Y24-A32 HydrophobicContact CD1-CB 4.05Å; I25-A32 PolarHBondContact O-N 2.69Å; A32-K187 PolarHBondContact O-NZ 2.76Å |
| 33 | I | 90.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.5 | 172.1 | -63.4 | 163.6 | 0 | 0 | 0 | 106.7 | L4 L18 I25 V26 G27 C31 L48 | L4-I33 HydrophobicContact CD1-CD1 3.99Å; L18-I33 HydrophobicContact CD2-CD1 4.1Å; I25-I33 PolarHBondContact O-N 2.86Å; V26-I33 WeakPolarHBondContact CA-O 3.46Å; V26-I33 HydrophobicContact CB-CB 4.5Å; V26-I33 HydrophobicContact CG1-CG2 4.22Å; V26-I33 HydrophobicContact CG2-CB 4.14Å; V26-I33 HydrophobicContact CG2-CD1 4.03Å; V26-I33 HydrophobicContact CG2-CG2 4.36Å; G27-I33 PolarHBondContact N-O 3.43Å; C31-I33 PolarHBondContact SG-O 2.86Å; I33-L48 HydrophobicContact CD1-CD1 3.67Å |
| 34 | L | 90.7 | Very high | 90.6 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.4 | -173.9 | -178.2 | 65 | 0 | 0 | 0 | 109.9 | G27 R28 E36 | G27-L34 WeakPolarHBondContact O-CA 3.28Å; R28-L34 WeakPolarHBondContact O-CD1 3.48Å; L34-E36 HydrophobicContact CD1-CG 4.47Å; L34-E36 HydrophobicContact CD2-CG 4.01Å; L34-E36 HydrophobicContact CG-CG 3.87Å |
| 35 | I | 88.9 | Confident | 90.6 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | trans | -111.9 | 100.9 | 175 | -54.3 | 168.2 | 0 | 0 | 0 | 107.5 | V26 G27 R28 D38 I41 F99 F106 | V26-I35 HydrophobicContact CG1-CD1 3.54Å; V26-I35 HydrophobicContact CG1-CG1 4.34Å; G27-I35 PolarHBondContact O-N 2.84Å; R28-I35 WeakPolarHBondContact CA-O 3.42Å; R28-I35 WeakPolarHBondContact CB-O 3.47Å; I35-D38 HydrophobicContact CG2-CB 4.47Å; I35-I41 HydrophobicContact CB-CD1 3.72Å; I35-I41 HydrophobicContact CD1-CD1 3.72Å; I35-I41 HydrophobicContact CG1-CD1 4.33Å; I35-I41 HydrophobicContact CG2-CD1 3.52Å; I35-F99 HydrophobicContact CD1-CB 4.13Å; I35-F99 HydrophobicContact CD1-CD2 3.58Å; I35-F99 HydrophobicContact CD1-CE2 4.25Å; I35-F99 HydrophobicContact CD1-CG 4.01Å; I35-F106 HydrophobicContact CD1-CE2 3.62Å; I35-F106 HydrophobicContact CD1-CZ 4.01Å; I35-F106 HydrophobicContact CG1-CE2 4.14Å; I35-F106 HydrophobicContact CG1-CZ 4.04Å | ||
| 36 | E | 83.4 | Confident | 90.6 | Very high | 130 Ų | 130 | 62.9 Ų | 62.9 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | trans | -80.8 | 166.3 | -178.8 | -58.3 | -159.8 | 145.3 | 0 | 0 | 112.2 | L34 D38 | L34-E36 HydrophobicContact CD1-CG 4.47Å; L34-E36 HydrophobicContact CD2-CG 4.01Å; L34-E36 HydrophobicContact CG-CG 3.87Å; E36-D38 PolarHBondContact O-N 3.17Å | ||
| 37 | N | 83.5 | Confident | 90.7 | Very high | 161 Ų | 161 | 63.7 Ų | 63.7 | 86% | 0.861 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 63.9 | -11.9 | 174.7 | -53.4 | -56.3 | 0 | 0 | 0 | 117.3 | ||
| 38 | D | 87 | Confident | 90.8 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | trans | -80.5 | 122.3 | 170.9 | -167.3 | -47.3 | 0 | 0 | 0 | 112.2 | I35 E36 S40 I41 S104 | I35-D38 HydrophobicContact CG2-CB 4.47Å; E36-D38 PolarHBondContact O-N 3.17Å; D38-S40 VanDerWaalsContact OD1-CA 3.31Å; D38-S40 WeakPolarHBondContact OD1-CA 3.5Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 2.63Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; D38-I41 HydrophobicContact CB-CB 4.21Å; D38-I41 HydrophobicContact CB-CD1 3.78Å; D38-I41 HydrophobicContact CB-CG1 3.96Å; D38-I41 PolarHBondContact OD1-N 3.08Å; D38-S104 WeakPolarHBondContact OD2-CB 3.35Å; D38-S104 PolarHBondContact OD2-OG 2.96Å | ||
| 39 | Q | 88.9 | Confident | 91 | Very high | 161 Ų | 161 | 60.3 Ų | 60.3 | 75% | 0.752 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -86.4 | -19.8 | 178.2 | -64.2 | -163.1 | 25.8 | 0 | 0 | 114.6 | R28 | R28-Q39 PolarHBondContact NH1-O 3.14Š|
| 40 | S | 92.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -77.2 | -23 | 175.3 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | D38 S42 Y74 G100 V101 | D38-S40 VanDerWaalsContact OD1-CA 3.31Å; D38-S40 WeakPolarHBondContact OD1-CA 3.5Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 2.63Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; S40-S42 PolarHBondContact O-N 3.23Å; S40-Y74 WeakPolarHBondContact O-CD2 3.49Å; S40-G100 WeakPolarHBondContact OG-CA 3.36Å; S40-V101 PolarHBondContact OG-N 2.9Å; S40-V101 VanDerWaalsContact OG-N 3.08Å |
| 41 | I | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -72.6 | 127.2 | -178.8 | -71.5 | -179.5 | 0 | 0 | 0 | 112.1 | R28 I35 D38 H45 F99 S104 | R28-I41 HydrophobicContact CB-CB 4.31Å; R28-I41 HydrophobicContact CB-CG2 3.85Å; R28-I41 WeakPolarHBondContact CD-O 3.07Å; R28-I41 HydrophobicContact CG-CG2 4.43Å; R28-I41 WeakPolarHBondContact CG-O 3.43Å; R28-I41 PolarHBondContact NE-O 3.18Å; R28-I41 PolarHBondContact NH1-O 2.97Å; I35-I41 HydrophobicContact CB-CD1 3.72Å; I35-I41 HydrophobicContact CD1-CD1 3.72Å; I35-I41 HydrophobicContact CG1-CD1 4.33Å; I35-I41 HydrophobicContact CG2-CD1 3.52Å; D38-I41 HydrophobicContact CB-CB 4.21Å; D38-I41 HydrophobicContact CB-CD1 3.78Å; D38-I41 HydrophobicContact CB-CG1 3.96Å; D38-I41 PolarHBondContact OD1-N 3.08Å; I41-H45 WeakPolarHBondContact CA-ND1 3.35Å; I41-H45 HydrophobicContact CG2-CB 4.09Å; I41-F99 HydrophobicContact CD1-CB 3.79Å; I41-F99 HydrophobicContact CG1-CB 4.16Å; I41-F99 WeakPolarHBondContact CG1-O 3.47Å; I41-S104 WeakPolarHBondContact CD1-OG 3.28Å |
| 42 | S | 92.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -67.7 | 165.2 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | G27 R28 S40 N44 H45 K73 | G27-S42 WeakPolarHBondContact CA-O 3.34Å; R28-S42 PolarHBondContact N-O 2.95Å; R28-S42 VanDerWaalsContact N-O 3.14Å; S40-S42 PolarHBondContact O-N 3.23Å; S42-N44 WeakPolarHBondContact CB-O 3.15Å; S42-H45 PolarHBondContact N-ND1 2.69Å; S42-K73 PolarHBondContact OG-N 3.25Å | ||
| 43 | R | 92.3 | Very high | 90.7 | Very high | 189 Ų | 189 | 50.7 Ų | 50.7 | 71% | 0.713 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -68.4 | -43.6 | 175.5 | -62.1 | -176.2 | -169.1 | 164.7 | 3.7 | 111.8 | ||
| 44 | N | 92.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -108.4 | 111.6 | 156.9 | 175.9 | -9.8 | 0 | 0 | 0 | 105 | I25 S42 N71 | I25-N44 HydrophobicContact CG2-CB 4.15Å; S42-N44 WeakPolarHBondContact CB-O 3.15Å; N44-N71 PolarHBondContact OD1-ND2 3.07Å |
| 45 | H | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -100.4 | -55.6 | -176.9 | -169.1 | 119.5 | 0 | 0 | 0 | 110.7 | V26 I41 S42 D70 N71 S72 T76 F99 G100 | V26-H45 WeakPolarHBondContact O-CB 3.49Å; V26-H45 PolarHBondContact O-N 3.15Å; I41-H45 WeakPolarHBondContact CA-ND1 3.35Å; I41-H45 HydrophobicContact CG2-CB 4.09Å; S42-H45 PolarHBondContact N-ND1 2.69Å; H45-D70 IonicContact CD2-OD1 2.63Å; H45-N71 CarbonylContact O-C 3.44Å; H45-N71 WeakPolarHBondContact O-CA 3.3Å; H45-N71 PolarHBondContact O-N 3.39Å; H45-S72 VanDerWaalsContact CD2-CB 3.42Å; H45-S72 WeakPolarHBondContact CD2-CB 3.24Å; H45-S72 WeakPolarHBondContact NE2-CB 3.41Å; H45-S72 PolarHBondContact NE2-OG 3.44Å; H45-S72 PolarHBondContact O-N 2.92Å; H45-S72 VanDerWaalsContact O-N 3.15Å; H45-T76 PolarHBondContact CD2-OG1 3.01Å; H45-T76 VanDerWaalsContact CD2-OG1 3.29Å; H45-T76 PolarHBondContact NE2-OG1 3.25Å; H45-F99 AromaticContact CD2-CD1 3.8Å; H45-G100 PolarHBondContact CE1-N 3.17Å; H45-G100 PolarHBondContact NE2-N 2.89Å | ||
| 46 | A | 96 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V26 I68 K69 F99 | V26-A46 HydrophobicContact CB-CB 4.41Å; V26-A46 PolarHBondContact N-O 3.03Å; V26-A46 PolarHBondContact O-N 3.36Å; A46-I68 HydrophobicContact CB-CD1 4.43Å; A46-I68 HydrophobicContact CB-CG1 4.21Å; A46-K69 CarbonylContact C-O 3.52Å; A46-K69 WeakPolarHBondContact CA-O 3.43Å; A46-K69 WeakPolarHBondContact CB-O 3.32Å; A46-F99 HydrophobicContact CB-CD1 4.28Å; A46-F99 HydrophobicContact CB-CE1 3.87Å |
| 47 | V | 96.8 | Very high | 82.6 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.8 | 168.9 | -178 | 0 | 0 | 0 | 0 | 108.1 | E23 I25 T49 I68 K69 | E23-V47 HydrophobicContact CB-CG1 3.96Å; E23-V47 HydrophobicContact CG-CG1 4.37Å; I25-V47 HydrophobicContact CG1-CG2 4.32Å; V47-T49 HydrophobicContact CG1-CG2 3.98Å; V47-I68 CarbonylContact O-C 3.54Å; V47-I68 WeakPolarHBondContact O-CA 3.42Å; V47-K69 PolarHBondContact N-O 2.82Å; V47-K69 PolarHBondContact O-N 3.42Å |
| 48 | L | 96.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.9 | 171 | -72.1 | 149.1 | 0 | 0 | 0 | 108.9 | L4 Y24 V26 I33 L66 T67 I68 L91 | L4-L48 HydrophobicContact CD1-CD1 3.57Å; Y24-L48 PolarHBondContact N-O 2.85Å; Y24-L48 PolarHBondContact O-N 3.1Å; V26-L48 HydrophobicContact CG2-CD1 3.5Å; V26-L48 HydrophobicContact CG2-CG 4.33Å; I33-L48 HydrophobicContact CD1-CD1 3.67Å; L48-L66 HydrophobicContact CB-CD1 4.42Å; L48-L66 HydrophobicContact CD2-CD1 4.01Å; L48-L66 HydrophobicContact CD2-CD2 4.49Å; L48-L66 HydrophobicContact CD2-CG 4.44Å; L48-T67 CarbonylContact C-O 3.54Å; L48-T67 VanDerWaalsContact CA-O 3.32Å; L48-T67 WeakPolarHBondContact CA-O 3.33Å; L48-I68 HydrophobicContact CD2-CB 3.79Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.9Å; L48-I68 HydrophobicContact CG-CG1 4.27Å; L48-L91 HydrophobicContact CD2-CD1 3.9Å |
| 49 | T | 95.5 | Very high | 78.6 | Confident | 20 Ų | 20 | 66.8 Ų | 66.8 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133 | 173.2 | 77.8 | 0 | 0 | 0 | 0 | 110.1 | E23 V47 N51 T67 | E23-T49 HydrophobicContact CB-CG2 4.4Å; E23-T49 HydrophobicContact CG-CG2 3.9Å; V47-T49 HydrophobicContact CG1-CG2 3.98Å; T49-N51 PolarHBondContact OG1-ND2 3.14Å; T49-T67 PolarHBondContact N-O 2.86Å; T49-T67 PolarHBondContact O-N 3.39Å; T49-T67 PolarHBondContact O-OG1 3.03Å; T49-T67 PolarHBondContact OG1-OG1 3.43Å |
| 50 | V | 95.1 | Very high | 76.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.7 | 170.6 | 175.1 | 0 | 0 | 0 | 0 | 107.2 | W2 L18 A20 G21 P64 I65 L66 | W2-V50 HydrophobicContact CB-CG2 4.09Å; W2-V50 HydrophobicContact CG-CG2 4.21Å; L18-V50 HydrophobicContact CB-CG2 3.76Å; L18-V50 HydrophobicContact CD1-CG2 4.31Å; A20-V50 CarbonylContact C-O 3.6Å; A20-V50 WeakPolarHBondContact CA-O 3.37Å; A20-V50 HydrophobicContact CB-CG1 4.15Å; G21-V50 PolarHBondContact N-O 3.29Å; V50-P64 HydrophobicContact CG1-CB 3.94Å; V50-I65 WeakPolarHBondContact CA-O 3.41Å; V50-L66 HydrophobicContact CG2-CB 4.43Å; V50-L66 HydrophobicContact CG2-CD1 3.59Å |
| 51 | N | 90.6 | Very high | 75.1 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.2 | 179.4 | -66 | -53.8 | 0 | 0 | 0 | 110 | T49 I65 | T49-N51 PolarHBondContact OG1-ND2 3.14Å; N51-I65 PolarHBondContact N-O 3.35Å; N51-I65 PolarHBondContact O-N 2.8Å |
| 52 | F | 86 | Confident | 74.3 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | trans | -69.8 | 143.1 | 162.9 | -66.3 | -88.1 | 0 | 0 | 0 | 109 | A20 L54 P64 L133 G137 L138 | A20-F52 HydrophobicContact CB-CD2 4.13Å; A20-F52 HydrophobicContact CB-CE2 3.59Å; F52-L54 PolarHBondContact O-N 3.38Å; F52-P64 HydrophobicContact CD1-CB 3.84Å; F52-P64 HydrophobicContact CD1-CG 4.44Å; F52-P64 HydrophobicContact CE1-CB 3.77Å; F52-P64 HydrophobicContact CE1-CG 3.93Å; F52-P64 HydrophobicContact CE2-CB 4.44Å; F52-P64 HydrophobicContact CG-CB 4.22Å; F52-P64 HydrophobicContact CZ-CB 4.1Å; F52-P64 HydrophobicContact CZ-CG 4.25Å; F52-L133 HydrophobicContact CD2-CD1 4.28Å; F52-L133 HydrophobicContact CD2-CG 4.38Å; F52-L133 HydrophobicContact CE2-CD1 3.98Å; F52-L133 HydrophobicContact CE2-CG 3.8Å; F52-L133 WeakPolarHBondContact CE2-O 3.15Å; F52-L133 HydrophobicContact CZ-CD1 4.31Å; F52-L133 HydrophobicContact CZ-CG 4.32Å; F52-G137 WeakPolarHBondContact CZ-O 3.27Å; F52-L138 HydrophobicContact CD1-CD2 4.43Å; F52-L138 HydrophobicContact CE1-CD2 3.77Å | ||
| 53 | P | 76.4 | Confident | 73.8 | Confident | 32 Ų | 32 | 74 Ų | 74 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | trans | -57.4 | 136.4 | 170.5 | 21.9 | -28.6 | 0 | 0 | 0 | 109.9 | T55 E62 I65 | P53-T55 PolarHBondContact O-N 2.82Å; P53-E62 WeakPolarHBondContact CB-OE2 3.14Å; P53-E62 HydrophobicContact CG-CB 3.63Å; P53-E62 HydrophobicContact CG-CG 4.39Å; P53-E62 WeakPolarHBondContact CG-OE2 3.46Å; P53-I65 HydrophobicContact CB-CD1 4.14Å; P53-I65 HydrophobicContact CG-CD1 4.44Å | ||
| 54 | L | 58.7 | Low | 73.7 | Confident | 178 Ų | 178 | 65 Ų | 65 | 93% | 0.932 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -82.3 | -1.2 | -174.7 | -158.9 | 69.4 | 0 | 0 | 0 | 112.7 | F52 | F52-L54 PolarHBondContact O-N 3.38Š|
| 55 | T | 45.5 | Very low | 73.8 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -75.5 | 122.5 | 173.8 | 32.6 | 0 | 0 | 0 | 0 | 110 | P53 | P53-T55 PolarHBondContact O-N 2.82Š|
| 56 | S | 38.9 | Very low | 73.8 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | trans | 73.3 | 101.8 | 175.7 | -53 | 0 | 0 | 0 | 0 | 116.4 | S58 | S56-S58 PolarHBondContact O-N 2.98Š| ||
| 57 | L | 41.1 | Very low | 73.8 | Confident | 192 Ų | 192 | 66.1 Ų | 66.1 | 100% | 1.005 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 22.8 | 166.9 | -72.4 | 164.9 | 0 | 0 | 0 | 113.6 | ||
| 58 | S | 43.5 | Very low | 73.8 | Confident | 102 Ų | 102 | 65.4 Ų | 65.4 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.7 | 2 | -157.5 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | S56 | S56-S58 PolarHBondContact O-N 2.98Š|
| 59 | Q | 43.5 | Very low | 73.8 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | trans | -128.3 | 124.1 | 171.7 | -80.9 | 176.2 | -39.5 | 0 | 0 | 108.9 | D61 | Q59-D61 WeakPolarHBondContact CA-OD2 3.39Å; Q59-D61 WeakPolarHBondContact CB-OD2 3.42Å; Q59-D61 PolarHBondContact O-N 3.47Å | ||
| 60 | A | 49.6 | Very low | 73.9 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -97.5 | 28.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111 | L138 | A60-L138 WeakPolarHBondContact O-CB 3.48Å; A60-L138 WeakPolarHBondContact O-CD2 2.89Å |
| 61 | D | 57.9 | Low | 73.8 | Confident | 116 Ų | 116 | 71 Ų | 71 | 62% | 0.62 | 39% | 0.389 | S | S | * | . | trans | -122.9 | -15.1 | -155.8 | -45.3 | -65 | 0 | 0 | 0 | 112.3 | Q59 | Q59-D61 WeakPolarHBondContact CA-OD2 3.39Å; Q59-D61 WeakPolarHBondContact CB-OD2 3.42Å; Q59-D61 PolarHBondContact O-N 3.47Å | ||
| 62 | E | 75.3 | Confident | 74 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -83 | 124.3 | 177.9 | -70.5 | -167.1 | -161.1 | 0 | 0 | 112.3 | P53 | P53-E62 WeakPolarHBondContact CB-OE2 3.14Å; P53-E62 HydrophobicContact CG-CB 3.63Å; P53-E62 HydrophobicContact CG-CG 4.39Å; P53-E62 WeakPolarHBondContact CG-OE2 3.46Å |
| 63 | I | 83.4 | Confident | 74.3 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 130.9 | 177.2 | -70.1 | 171.9 | 0 | 0 | 0 | 110.2 | Y110 | I63-Y110 HydrophobicContact CD1-CE1 4.15Å; I63-Y110 HydrophobicContact CG1-CE1 4.25Å; I63-Y110 HydrophobicContact CG2-CD1 4.37Å; I63-Y110 HydrophobicContact CG2-CD2 4.25Å; I63-Y110 HydrophobicContact CG2-CE1 3.94Å; I63-Y110 HydrophobicContact CG2-CE2 3.82Å |
| 64 | P | 91 | Very high | 75.1 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.8 | 177.8 | 25.1 | -33.7 | 0 | 0 | 0 | 110.9 | W2 V50 F52 Y110 | W2-P64 PolarHBondContact NE1-O 2.76Å; V50-P64 HydrophobicContact CG1-CB 3.94Å; F52-P64 HydrophobicContact CD1-CB 3.84Å; F52-P64 HydrophobicContact CD1-CG 4.44Å; F52-P64 HydrophobicContact CE1-CB 3.77Å; F52-P64 HydrophobicContact CE1-CG 3.93Å; F52-P64 HydrophobicContact CE2-CB 4.44Å; F52-P64 HydrophobicContact CG-CB 4.22Å; F52-P64 HydrophobicContact CZ-CB 4.1Å; F52-P64 HydrophobicContact CZ-CG 4.25Å; P64-Y110 HydrophobicContact CG-CE2 4.13Å |
| 65 | I | 93.3 | Very high | 76.8 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | -173.6 | -57.8 | 174.1 | 0 | 0 | 0 | 109.5 | V50 N51 P53 T67 T90 | V50-I65 WeakPolarHBondContact CA-O 3.41Å; N51-I65 PolarHBondContact N-O 3.35Å; N51-I65 PolarHBondContact O-N 2.8Å; P53-I65 HydrophobicContact CB-CD1 4.14Å; P53-I65 HydrophobicContact CG-CD1 4.44Å; I65-T67 HydrophobicContact CG2-CG2 4.11Å; I65-T90 HydrophobicContact CG2-CG2 3.5Å; I65-T90 VanDerWaalsContact CG2-CG2 3.5Å |
| 66 | L | 95.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.1 | 168 | 177.6 | 65.7 | 0 | 0 | 0 | 110 | W2 L18 L48 V50 L91 V108 | W2-L66 HydrophobicContact CD2-CB 3.62Å; W2-L66 HydrophobicContact CD2-CD2 4.14Å; W2-L66 HydrophobicContact CD2-CG 4.49Å; W2-L66 HydrophobicContact CE3-CB 4Å; W2-L66 HydrophobicContact CE3-CD2 3.87Å; W2-L66 HydrophobicContact CG-CB 3.95Å; W2-L66 HydrophobicContact CG-CD2 4.45Å; W2-L66 HydrophobicContact CH2-CB 4.36Å; W2-L66 HydrophobicContact CZ2-CB 4.04Å; W2-L66 HydrophobicContact CZ3-CB 4.34Å; W2-L66 HydrophobicContact CZ3-CD2 4.42Å; L18-L66 HydrophobicContact CD1-CD1 3.67Å; L18-L66 HydrophobicContact CD1-CD2 4.31Å; L48-L66 HydrophobicContact CB-CD1 4.42Å; L48-L66 HydrophobicContact CD2-CD1 4.01Å; L48-L66 HydrophobicContact CD2-CD2 4.49Å; L48-L66 HydrophobicContact CD2-CG 4.44Å; V50-L66 HydrophobicContact CG2-CB 4.43Å; V50-L66 HydrophobicContact CG2-CD1 3.59Å; L66-L91 HydrophobicContact CB-CB 4.47Å; L66-L91 HydrophobicContact CD2-CB 4.06Å; L66-L91 HydrophobicContact CD2-CD1 3.77Å; L66-L91 HydrophobicContact CG-CB 4.18Å; L66-L91 HydrophobicContact CG-CD1 4.04Å; L66-L91 PolarHBondContact O-N 3.05Å; L66-V108 HydrophobicContact CD2-CG1 3.58Å |
| 67 | T | 96.3 | Very high | 81.9 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.8 | 172.5 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | L48 T49 I65 Y89 | L48-T67 CarbonylContact C-O 3.54Å; L48-T67 VanDerWaalsContact CA-O 3.32Å; L48-T67 WeakPolarHBondContact CA-O 3.33Å; T49-T67 PolarHBondContact N-O 2.86Å; T49-T67 PolarHBondContact O-N 3.39Å; T49-T67 PolarHBondContact O-OG1 3.03Å; T49-T67 PolarHBondContact OG1-OG1 3.43Å; I65-T67 HydrophobicContact CG2-CG2 4.11Å; T67-Y89 CarbonylContact C-O 3.4Å; T67-Y89 VanDerWaalsContact CA-O 3.25Å; T67-Y89 WeakPolarHBondContact CA-O 3.41Å |
| 68 | I | 96.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.2 | 176.3 | -172.7 | 171.7 | 0 | 0 | 0 | 109.9 | A46 V47 L48 T76 M83 P88 Y89 L91 V97 F99 | A46-I68 HydrophobicContact CB-CD1 4.43Å; A46-I68 HydrophobicContact CB-CG1 4.21Å; V47-I68 CarbonylContact O-C 3.54Å; V47-I68 WeakPolarHBondContact O-CA 3.42Å; L48-I68 HydrophobicContact CD2-CB 3.79Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.9Å; L48-I68 HydrophobicContact CG-CG1 4.27Å; I68-T76 HydrophobicContact CD1-CG2 3.81Å; I68-M83 HydrophobicContact CD1-SD 4.4Å; I68-M83 HydrophobicContact CG1-SD 4.42Å; I68-M83 HydrophobicContact CG2-CE 3.92Å; I68-M83 HydrophobicContact CG2-SD 3.82Å; I68-M83 WeakPolarHBondContact O-CE 3.48Å; I68-P88 CarbonylContact O-C 3.58Å; I68-P88 WeakPolarHBondContact O-CA 3.19Å; I68-Y89 HydrophobicContact CG2-CD1 4.37Å; I68-Y89 PolarHBondContact N-O 3.29Å; I68-Y89 PolarHBondContact O-N 2.9Å; I68-L91 HydrophobicContact CB-CD1 3.77Å; I68-L91 HydrophobicContact CB-CG 4.29Å; I68-L91 HydrophobicContact CD1-CD1 4.39Å; I68-L91 HydrophobicContact CG2-CD1 3.7Å; I68-L91 HydrophobicContact CG2-CD2 4.02Å; I68-L91 HydrophobicContact CG2-CG 3.7Å; I68-V97 HydrophobicContact CD1-CG1 3.7Å; I68-F99 HydrophobicContact CD1-CE1 3.91Å; I68-F99 HydrophobicContact CD1-CZ 4.23Å |
| 69 | K | 96.7 | Very high | 86.9 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 118.2 | 174.2 | 168 | 168.4 | 167.3 | 142.6 | 0 | 109.8 | A46 V47 N71 G86 | A46-K69 CarbonylContact C-O 3.52Å; A46-K69 WeakPolarHBondContact CA-O 3.43Å; A46-K69 WeakPolarHBondContact CB-O 3.32Å; V47-K69 PolarHBondContact N-O 2.82Å; V47-K69 PolarHBondContact O-N 3.42Å; K69-N71 VanDerWaalsContact CE-OD1 3.27Å; K69-N71 WeakPolarHBondContact CE-OD1 3.47Å; K69-G86 WeakPolarHBondContact CE-O 3.4Å; K69-G86 PolarHBondContact NZ-O 3.15Å |
| 70 | D | 96.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.8 | 172.5 | -170.8 | 21.1 | 0 | 0 | 0 | 110.3 | H45 S72 G75 T76 M83 N85 G86 | H45-D70 IonicContact CD2-OD1 2.63Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 2.92Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 PolarHBondContact OD2-OG 3.4Å; D70-G75 WeakPolarHBondContact OD2-CA 3.33Å; D70-T76 VanDerWaalsContact CG-N 3.29Å; D70-T76 VanDerWaalsContact CG-OG1 3.29Å; D70-T76 PolarHBondContact OD1-N 2.94Å; D70-T76 PolarHBondContact OD1-OG1 2.95Å; D70-T76 PolarHBondContact OD2-N 2.95Å; D70-M83 HydrophobicContact CB-CB 4.34Å; D70-M83 HydrophobicContact CB-CE 4.17Å; D70-M83 HydrophobicContact CB-SD 4.48Å; D70-N85 PolarHBondContact O-OD1 3.32Å; D70-G86 WeakPolarHBondContact O-CA 3.38Å; D70-G86 PolarHBondContact O-N 2.88Å |
| 71 | N | 94.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | trans | -132.5 | 13.3 | 171.3 | -60 | -56.3 | 0 | 0 | 0 | 110.8 | N44 H45 K69 N85 | N44-N71 PolarHBondContact OD1-ND2 3.07Å; H45-N71 CarbonylContact O-C 3.44Å; H45-N71 WeakPolarHBondContact O-CA 3.3Å; H45-N71 PolarHBondContact O-N 3.39Å; K69-N71 VanDerWaalsContact CE-OD1 3.27Å; K69-N71 WeakPolarHBondContact CE-OD1 3.47Å; N71-N85 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 72 | S | 93.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | trans | -86.7 | 168.5 | -164.5 | 75.2 | 0 | 0 | 0 | 0 | 114 | H45 D70 G75 | H45-S72 VanDerWaalsContact CD2-CB 3.42Å; H45-S72 WeakPolarHBondContact CD2-CB 3.24Å; H45-S72 WeakPolarHBondContact NE2-CB 3.41Å; H45-S72 PolarHBondContact NE2-OG 3.44Å; H45-S72 PolarHBondContact O-N 2.92Å; H45-S72 VanDerWaalsContact O-N 3.15Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 2.92Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 PolarHBondContact OD2-OG 3.4Å; S72-G75 VanDerWaalsContact OG-CA 3.27Å; S72-G75 WeakPolarHBondContact OG-CA 3.37Å; S72-G75 PolarHBondContact OG-N 3.32Å | ||
| 73 | K | 92.9 | Very high | 93.8 | Very high | 156 Ų | 156 | 55.3 Ų | 55.3 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -79.6 | -32.2 | 173.4 | 179.2 | -178.4 | 170.7 | -153.5 | 0 | 112.6 | S42 | S42-K73 PolarHBondContact OG-N 3.25Š|
| 74 | Y | 92.8 | Very high | 94.3 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -104.4 | -23.4 | -168.5 | -69.3 | -89.7 | 0 | 0 | 0 | 113 | S40 K82 V101 | S40-Y74 WeakPolarHBondContact O-CD2 3.49Å; Y74-K82 PolarHBondContact O-NZ 3.01Å; Y74-V101 HydrophobicContact CD1-CG2 4.48Å |
| 75 | G | 94.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | 113.5 | 142.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D70 S72 G100 | D70-G75 WeakPolarHBondContact OD2-CA 3.33Å; S72-G75 VanDerWaalsContact OG-CA 3.27Å; S72-G75 WeakPolarHBondContact OG-CA 3.37Å; S72-G75 PolarHBondContact OG-N 3.32Å; G75-G100 WeakPolarHBondContact O-CA 3.27Å; G75-G100 PolarHBondContact O-N 2.93Å | ||
| 76 | T | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 143.7 | 155.7 | -55 | 0 | 0 | 0 | 0 | 108.8 | H45 I68 D70 M83 V97 F99 | H45-T76 PolarHBondContact CD2-OG1 3.01Å; H45-T76 VanDerWaalsContact CD2-OG1 3.29Å; H45-T76 PolarHBondContact NE2-OG1 3.25Å; I68-T76 HydrophobicContact CD1-CG2 3.81Å; D70-T76 VanDerWaalsContact CG-N 3.29Å; D70-T76 VanDerWaalsContact CG-OG1 3.29Å; D70-T76 PolarHBondContact OD1-N 2.94Å; D70-T76 PolarHBondContact OD1-OG1 2.95Å; D70-T76 PolarHBondContact OD2-N 2.95Å; T76-M83 HydrophobicContact CG2-SD 3.81Å; T76-M83 WeakPolarHBondContact O-CB 3.31Å; T76-M83 PolarHBondContact O-N 2.71Å; T76-V97 HydrophobicContact CG2-CG1 3.84Å; T76-F99 HydrophobicContact CG2-CD1 3.94Å; T76-F99 HydrophobicContact CG2-CE1 4.04Å |
| 77 | F | 95.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.1 | 178.3 | -57.9 | -109.6 | 0 | 0 | 0 | 110 | E81 K82 V97 T98 G100 V101 | F77-E81 CarbonylContact C-O 3.54Å; F77-E81 WeakPolarHBondContact CA-O 3.46Å; F77-E81 WeakPolarHBondContact CB-O 3.22Å; F77-K82 HydrophobicContact CD1-CB 3.67Å; F77-K82 HydrophobicContact CD1-CG 4.22Å; F77-K82 HydrophobicContact CE1-CB 3.61Å; F77-K82 HydrophobicContact CE1-CD 3.95Å; F77-K82 HydrophobicContact CE1-CG 3.97Å; F77-K82 HydrophobicContact CG-CB 4.49Å; F77-K82 HydrophobicContact CZ-CB 4.38Å; F77-K82 HydrophobicContact CZ-CD 3.91Å; F77-K82 HydrophobicContact CZ-CG 4.25Å; F77-V97 CarbonylContact O-C 3.45Å; F77-V97 WeakPolarHBondContact O-CA 3.29Å; F77-T98 PolarHBondContact N-O 2.85Å; F77-T98 PolarHBondContact O-N 2.82Å; F77-G100 WeakPolarHBondContact CD2-O 3.36Å; F77-G100 VanDerWaalsContact CE2-O 3.22Å; F77-G100 WeakPolarHBondContact CE2-O 3.3Å; F77-V101 HydrophobicContact CE2-CG1 4.41Å |
| 78 | V | 95.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.5 | 176 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | E80 E81 M83 Y89 L91 D95 R96 V97 | V78-E80 PolarHBondContact O-N 3.49Å; V78-E81 PolarHBondContact N-O 2.7Å; V78-E81 WeakPolarHBondContact O-CB 3.35Å; V78-E81 PolarHBondContact O-N 3.39Å; V78-M83 HydrophobicContact CG2-CG 3.9Å; V78-M83 HydrophobicContact CG2-SD 3.78Å; V78-Y89 HydrophobicContact CB-CE1 4.4Å; V78-Y89 HydrophobicContact CG1-CE1 3.88Å; V78-Y89 HydrophobicContact CG2-CD1 4.41Å; V78-L91 HydrophobicContact CG1-CD2 3.72Å; V78-L91 HydrophobicContact CG2-CD2 3.99Å; V78-D95 HydrophobicContact CG1-CB 4.36Å; V78-R96 CarbonylContact C-O 3.56Å; V78-R96 WeakPolarHBondContact CA-O 3.4Å; V78-V97 HydrophobicContact CG2-CG2 4.43Å |
| 79 | N | 93.4 | Very high | 93.7 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 42.6 | -174.1 | -59.2 | -33.7 | 0 | 0 | 0 | 112.4 | E81 D95 R96 | N79-E81 PolarHBondContact O-N 2.83Å; N79-E81 VanDerWaalsContact O-N 3.09Å; N79-D95 PolarHBondContact ND2-OD1 3Å; N79-R96 PolarHBondContact N-O 2.76Å; N79-R96 PolarHBondContact OD1-N 2.88Å |
| 80 | E | 90.5 | Very high | 93.7 | Very high | 161 Ų | 161 | 72.6 Ų | 72.6 | 75% | 0.752 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | -10.1 | -178 | -54.4 | 178.8 | -177.6 | 0 | 0 | 115.4 | V78 | V78-E80 PolarHBondContact O-N 3.49Š|
| 81 | E | 93.6 | Very high | 93.6 | Very high | 142 Ų | 142 | 72.8 Ų | 72.8 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138 | 169 | -170.1 | 179.7 | -178.4 | 0 | 0 | 111.4 | F77 V78 N79 | F77-E81 CarbonylContact C-O 3.54Å; F77-E81 WeakPolarHBondContact CA-O 3.46Å; F77-E81 WeakPolarHBondContact CB-O 3.22Å; V78-E81 PolarHBondContact N-O 2.7Å; V78-E81 WeakPolarHBondContact O-CB 3.35Å; V78-E81 PolarHBondContact O-N 3.39Å; N79-E81 PolarHBondContact O-N 2.83Å; N79-E81 VanDerWaalsContact O-N 3.09Å |
| 82 | K | 94.2 | Very high | 93.6 | Very high | 115 Ų | 115 | 77.1 Ų | 77.1 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.7 | 178.9 | -177.1 | 163.8 | 172.9 | 160.3 | 0 | 111.8 | Y74 F77 | Y74-K82 PolarHBondContact O-NZ 3.01Å; F77-K82 HydrophobicContact CD1-CB 3.67Å; F77-K82 HydrophobicContact CD1-CG 4.22Å; F77-K82 HydrophobicContact CE1-CB 3.61Å; F77-K82 HydrophobicContact CE1-CD 3.95Å; F77-K82 HydrophobicContact CE1-CG 3.97Å; F77-K82 HydrophobicContact CG-CB 4.49Å; F77-K82 HydrophobicContact CZ-CB 4.38Å; F77-K82 HydrophobicContact CZ-CD 3.91Å; F77-K82 HydrophobicContact CZ-CG 4.25Å |
| 83 | M | 94.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 80.5 Ų | 80.5 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 152.6 | 175.5 | -71 | -176.1 | 57.9 | 0 | 0 | 113.3 | I68 D70 T76 V78 | I68-M83 HydrophobicContact CD1-SD 4.4Å; I68-M83 HydrophobicContact CG1-SD 4.42Å; I68-M83 HydrophobicContact CG2-CE 3.92Å; I68-M83 HydrophobicContact CG2-SD 3.82Å; I68-M83 WeakPolarHBondContact O-CE 3.48Å; D70-M83 HydrophobicContact CB-CB 4.34Å; D70-M83 HydrophobicContact CB-CE 4.17Å; D70-M83 HydrophobicContact CB-SD 4.48Å; T76-M83 HydrophobicContact CG2-SD 3.81Å; T76-M83 WeakPolarHBondContact O-CB 3.31Å; T76-M83 PolarHBondContact O-N 2.71Å; V78-M83 HydrophobicContact CG2-CG 3.9Å; V78-M83 HydrophobicContact CG2-SD 3.78Å |
| 84 | Q | 92.2 | Very high | 93.7 | Very high | 145 Ų | 145 | 74.4 Ų | 74.4 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 119.6 | 166.2 | -60.8 | -172.6 | 19.5 | 0 | 0 | 110.1 | G86 L87 | Q84-G86 PolarHBondContact O-N 2.81Å; Q84-L87 HydrophobicContact CB-CD1 4.05Å; Q84-L87 PolarHBondContact O-N 2.81Å |
| 85 | N | 91.4 | Very high | 93.8 | Very high | 106 Ų | 106 | 70.7 Ų | 70.7 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 134 | -177.1 | -176.9 | 32.5 | 0 | 0 | 0 | 112 | D70 N71 L87 | D70-N85 PolarHBondContact O-OD1 3.32Å; N71-N85 WeakPolarHBondContact CA-OD1 3.35Å; N85-L87 VanDerWaalsContact C-N 3.31Å; N85-L87 PolarHBondContact O-N 3.48Å |
| 86 | G | 88.9 | Confident | 93.9 | Very high | 26 Ų | 26 | 78.2 Ų | 78.2 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -11.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K69 D70 Q84 | K69-G86 WeakPolarHBondContact CE-O 3.4Å; K69-G86 PolarHBondContact NZ-O 3.15Å; D70-G86 WeakPolarHBondContact O-CA 3.38Å; D70-G86 PolarHBondContact O-N 2.88Å; Q84-G86 PolarHBondContact O-N 2.81Å |
| 87 | L | 92.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 78.3 Ų | 78.3 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -96.3 | 145.7 | 177 | -70.3 | 174.7 | 0 | 0 | 0 | 111.9 | Q84 N85 | Q84-L87 HydrophobicContact CB-CD1 4.05Å; Q84-L87 PolarHBondContact O-N 2.81Å; N85-L87 VanDerWaalsContact C-N 3.31Å; N85-L87 PolarHBondContact O-N 3.48Å |
| 88 | P | 93.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 77 Ų | 77 | 60% | 0.597 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 143.1 | 171.3 | 33.2 | -33.4 | 0 | 0 | 0 | 111.2 | I68 | I68-P88 CarbonylContact O-C 3.58Å; I68-P88 WeakPolarHBondContact O-CA 3.19Å |
| 89 | Y | 95.1 | Very high | 93.7 | Very high | 95 Ų | 95 | 76.8 Ų | 76.8 | 37% | 0.373 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.2 | 173.1 | -176.9 | -82 | 0 | 0 | 0 | 109 | T67 I68 V78 L91 | T67-Y89 CarbonylContact C-O 3.4Å; T67-Y89 VanDerWaalsContact CA-O 3.25Å; T67-Y89 WeakPolarHBondContact CA-O 3.41Å; I68-Y89 HydrophobicContact CG2-CD1 4.37Å; I68-Y89 PolarHBondContact N-O 3.29Å; I68-Y89 PolarHBondContact O-N 2.9Å; V78-Y89 HydrophobicContact CB-CE1 4.4Å; V78-Y89 HydrophobicContact CG1-CE1 3.88Å; V78-Y89 HydrophobicContact CG2-CD1 4.41Å; Y89-L91 HydrophobicContact CD1-CD2 4.18Å; Y89-L91 HydrophobicContact CE1-CD2 4.3Å |
| 90 | T | 95.5 | Very high | 93.7 | Very high | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.1 | 179.3 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | I65 | I65-T90 HydrophobicContact CG2-CG2 3.5Å; I65-T90 VanDerWaalsContact CG2-CG2 3.5Å |
| 91 | L | 95.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 147 | 179.6 | -69.6 | 169.3 | 0 | 0 | 0 | 111.4 | L48 L66 I68 V78 Y89 D95 V97 V108 | L48-L91 HydrophobicContact CD2-CD1 3.9Å; L66-L91 HydrophobicContact CB-CB 4.47Å; L66-L91 HydrophobicContact CD2-CB 4.06Å; L66-L91 HydrophobicContact CD2-CD1 3.77Å; L66-L91 HydrophobicContact CG-CB 4.18Å; L66-L91 HydrophobicContact CG-CD1 4.04Å; L66-L91 PolarHBondContact O-N 3.05Å; I68-L91 HydrophobicContact CB-CD1 3.77Å; I68-L91 HydrophobicContact CB-CG 4.29Å; I68-L91 HydrophobicContact CD1-CD1 4.39Å; I68-L91 HydrophobicContact CG2-CD1 3.7Å; I68-L91 HydrophobicContact CG2-CD2 4.02Å; I68-L91 HydrophobicContact CG2-CG 3.7Å; V78-L91 HydrophobicContact CG1-CD2 3.72Å; V78-L91 HydrophobicContact CG2-CD2 3.99Å; Y89-L91 HydrophobicContact CD1-CD2 4.18Å; Y89-L91 HydrophobicContact CE1-CD2 4.3Å; L91-D95 HydrophobicContact CD2-CB 4.18Å; L91-V97 HydrophobicContact CD1-CG2 4.09Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; L91-V108 HydrophobicContact CB-CG1 4.46Å; L91-V108 HydrophobicContact CB-CG2 4.45Å; L91-V108 HydrophobicContact CD1-CG2 3.99Å; L91-V108 HydrophobicContact CD2-CG2 4.36Å |
| 92 | K | 94.5 | Very high | 93.3 | Very high | 148 Ų | 148 | 68.1 Ų | 68.1 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | trans | -109.2 | 159.3 | 175.7 | -63.2 | 178 | -178 | 176.6 | 0 | 110.5 | G94 D95 | K92-G94 PolarHBondContact O-N 3.39Å; K92-D95 PolarHBondContact N-OD2 3.36Å; K92-D95 WeakPolarHBondContact O-CB 3.38Å; K92-D95 PolarHBondContact O-N 2.91Å | ||
| 93 | T | 94.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 130.5 | 172.2 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | Y110 | T93-Y110 PolarHBondContact OG1-N 2.94Š|
| 94 | G | 93.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -17.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K92 V108 | K92-G94 PolarHBondContact O-N 3.39Å; G94-V108 WeakPolarHBondContact CA-O 3.28Å; G94-V108 PolarHBondContact N-O 2.97Å |
| 95 | D | 95.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 66 Ų | 66 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | trans | -58.7 | 145.7 | -178.1 | -80.2 | -17.3 | 0 | 0 | 0 | 112.7 | V78 N79 L91 K92 R107 V108 | V78-D95 HydrophobicContact CG1-CB 4.36Å; N79-D95 PolarHBondContact ND2-OD1 3Å; L91-D95 HydrophobicContact CD2-CB 4.18Å; K92-D95 PolarHBondContact N-OD2 3.36Å; K92-D95 WeakPolarHBondContact O-CB 3.38Å; K92-D95 PolarHBondContact O-N 2.91Å; D95-R107 CarbonylContact O-C 3.47Å; D95-R107 WeakPolarHBondContact O-CA 3.12Å; D95-V108 HydrophobicContact CB-CB 4.31Å; D95-V108 HydrophobicContact CB-CG2 4.11Å; D95-V108 PolarHBondContact O-N 3.39Å | ||
| 96 | R | 95.1 | Very high | 92.6 | Very high | 161 Ų | 161 | 62.1 Ų | 62.1 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.9 | 177 | -65.6 | -178.5 | 174.9 | -161.4 | -2.3 | 110.5 | V78 N79 F106 | V78-R96 CarbonylContact C-O 3.56Å; V78-R96 WeakPolarHBondContact CA-O 3.4Å; N79-R96 PolarHBondContact N-O 2.76Å; N79-R96 PolarHBondContact OD1-N 2.88Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.32Å |
| 97 | V | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.3 | 178.3 | -176 | 0 | 0 | 0 | 0 | 109.7 | I68 T76 F77 V78 L91 F99 F106 V108 | I68-V97 HydrophobicContact CD1-CG1 3.7Å; T76-V97 HydrophobicContact CG2-CG1 3.84Å; F77-V97 CarbonylContact O-C 3.45Å; F77-V97 WeakPolarHBondContact O-CA 3.29Å; V78-V97 HydrophobicContact CG2-CG2 4.43Å; L91-V97 HydrophobicContact CD1-CG2 4.09Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; V97-F99 HydrophobicContact CB-CZ 4.49Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; V97-F99 HydrophobicContact CG1-CD2 4.4Å; V97-F99 HydrophobicContact CG1-CE1 3.82Å; V97-F99 HydrophobicContact CG1-CE2 3.84Å; V97-F99 HydrophobicContact CG1-CZ 3.52Å; V97-F106 PolarHBondContact N-O 3.23Å; V97-F106 PolarHBondContact O-N 3.45Å; V97-V108 HydrophobicContact CG2-CG2 3.76Å |
| 98 | T | 94.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125 | 173.8 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | F77 K105 | F77-T98 PolarHBondContact N-O 2.85Å; F77-T98 PolarHBondContact O-N 2.82Å; T98-K105 HydrophobicContact CG2-CG 3.77Å |
| 99 | F | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.6 | 179.1 | -61.6 | -75.7 | 0 | 0 | 0 | 110.2 | V26 I35 I41 H45 A46 I68 T76 V97 S104 F106 | V26-F99 HydrophobicContact CB-CE1 4.14Å; V26-F99 HydrophobicContact CB-CZ 4.4Å; V26-F99 HydrophobicContact CG1-CD1 3.94Å; V26-F99 HydrophobicContact CG1-CD2 4.18Å; V26-F99 HydrophobicContact CG1-CE1 3.87Å; V26-F99 HydrophobicContact CG1-CE2 4.13Å; V26-F99 HydrophobicContact CG1-CG 4.08Å; V26-F99 HydrophobicContact CG1-CZ 3.97Å; V26-F99 HydrophobicContact CG2-CE1 3.96Å; V26-F99 HydrophobicContact CG2-CZ 3.89Å; I35-F99 HydrophobicContact CD1-CB 4.13Å; I35-F99 HydrophobicContact CD1-CD2 3.58Å; I35-F99 HydrophobicContact CD1-CE2 4.25Å; I35-F99 HydrophobicContact CD1-CG 4.01Å; I41-F99 HydrophobicContact CD1-CB 3.79Å; I41-F99 HydrophobicContact CG1-CB 4.16Å; I41-F99 WeakPolarHBondContact CG1-O 3.47Å; H45-F99 AromaticContact CD2-CD1 3.8Å; A46-F99 HydrophobicContact CB-CD1 4.28Å; A46-F99 HydrophobicContact CB-CE1 3.87Å; I68-F99 HydrophobicContact CD1-CE1 3.91Å; I68-F99 HydrophobicContact CD1-CZ 4.23Å; T76-F99 HydrophobicContact CG2-CD1 3.94Å; T76-F99 HydrophobicContact CG2-CE1 4.04Å; V97-F99 HydrophobicContact CB-CZ 4.49Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; V97-F99 HydrophobicContact CG1-CD2 4.4Å; V97-F99 HydrophobicContact CG1-CE1 3.82Å; V97-F99 HydrophobicContact CG1-CE2 3.84Å; V97-F99 HydrophobicContact CG1-CZ 3.52Å; F99-S104 PolarHBondContact N-O 2.89Å; F99-S104 WeakPolarHBondContact O-CB 3.33Å; F99-F106 AromaticContact CD2-CD2 3.68Å; F99-F106 HydrophobicContact CD2-CD2 3.68Å; F99-F106 AromaticContact CD2-CE2 3.85Å; F99-F106 HydrophobicContact CD2-CE2 3.85Å; F99-F106 AromaticContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CE2 4.02Å; F99-F106 HydrophobicContact CE2-CG 4.29Å |
| 100 | G | 92.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 82.8 | -146.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S40 H45 G75 F77 | S40-G100 WeakPolarHBondContact OG-CA 3.36Å; H45-G100 PolarHBondContact CE1-N 3.17Å; H45-G100 PolarHBondContact NE2-N 2.89Å; G75-G100 WeakPolarHBondContact O-CA 3.27Å; G75-G100 PolarHBondContact O-N 2.93Å; F77-G100 WeakPolarHBondContact CD2-O 3.36Å; F77-G100 VanDerWaalsContact CE2-O 3.22Å; F77-G100 WeakPolarHBondContact CE2-O 3.3Å |
| 101 | V | 89.6 | Confident | 92.8 | Very high | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -125 | 18 | -168.9 | -61.8 | 0 | 0 | 0 | 0 | 114.4 | S40 Y74 F77 | S40-V101 PolarHBondContact OG-N 2.9Å; S40-V101 VanDerWaalsContact OG-N 3.08Å; Y74-V101 HydrophobicContact CD1-CG2 4.48Å; F77-V101 HydrophobicContact CE2-CG1 4.41Å |
| 102 | F | 85.8 | Confident | 92.6 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -123.6 | -167.6 | 174.2 | -60.5 | -70.9 | 0 | 0 | 0 | 110.6 | S104 | F102-S104 PolarHBondContact O-N 2.67Š|
| 103 | E | 83.3 | Confident | 92.6 | Very high | 140 Ų | 140 | 53 Ų | 53 | 65% | 0.654 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -73.6 | 24.3 | -173.9 | -63.8 | -57.3 | 118.6 | 0 | 0 | 115.4 | K105 | E103-K105 PolarHBondContact O-N 3.41Å; E103-K105 WeakPolarHBondContact OE1-CE 3.42Å; E103-K105 IonicContact OE1-NZ 3.98Å; E103-K105 PolarHBondContact OE1-NZ 3.13Å; E103-K105 WeakPolarHBondContact OE2-CE 3.49Å; E103-K105 IonicContact OE2-NZ 2.8Å; E103-K105 PolarHBondContact OE2-NZ 3.49Å |
| 104 | S | 89.5 | Confident | 92.5 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | trans | -77.1 | 60.1 | 176.9 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | D38 I41 F99 F102 | D38-S104 WeakPolarHBondContact OD2-CB 3.35Å; D38-S104 PolarHBondContact OD2-OG 2.96Å; I41-S104 WeakPolarHBondContact CD1-OG 3.28Å; F99-S104 PolarHBondContact N-O 2.89Å; F99-S104 WeakPolarHBondContact O-CB 3.33Å; F102-S104 PolarHBondContact O-N 2.67Å | ||
| 105 | K | 91.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.8 | -169.8 | -65.4 | 172.3 | -176.5 | 164.3 | 0 | 111.6 | A7 T98 E103 | A7-K105 HydrophobicContact CB-CB 3.89Å; A7-K105 WeakPolarHBondContact CB-O 3.08Å; A7-K105 PolarHBondContact N-O 3.22Å; T98-K105 HydrophobicContact CG2-CG 3.77Å; E103-K105 PolarHBondContact O-N 3.41Å; E103-K105 WeakPolarHBondContact OE1-CE 3.42Å; E103-K105 IonicContact OE1-NZ 3.98Å; E103-K105 PolarHBondContact OE1-NZ 3.13Å; E103-K105 WeakPolarHBondContact OE2-CE 3.49Å; E103-K105 IonicContact OE2-NZ 2.8Å; E103-K105 PolarHBondContact OE2-NZ 3.49Å |
| 106 | F | 93.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.9 | 179.8 | -67.1 | -99 | 0 | 0 | 0 | 110.7 | L4 L5 P6 I35 R96 V97 F99 | L4-F106 HydrophobicContact CB-CD1 4.26Å; L4-F106 HydrophobicContact CD2-CB 4.46Å; L5-F106 CarbonylContact O-C 3.48Å; L5-F106 VanDerWaalsContact O-CA 3.24Å; L5-F106 WeakPolarHBondContact O-CA 3.36Å; P6-F106 HydrophobicContact CB-CD1 4.49Å; P6-F106 HydrophobicContact CB-CE1 4.28Å; P6-F106 HydrophobicContact CG-CD1 4.4Å; P6-F106 HydrophobicContact CG-CE1 4.04Å; I35-F106 HydrophobicContact CD1-CE2 3.62Å; I35-F106 HydrophobicContact CD1-CZ 4.01Å; I35-F106 HydrophobicContact CG1-CE2 4.14Å; I35-F106 HydrophobicContact CG1-CZ 4.04Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.32Å; V97-F106 PolarHBondContact N-O 3.23Å; V97-F106 PolarHBondContact O-N 3.45Å; F99-F106 AromaticContact CD2-CD2 3.68Å; F99-F106 HydrophobicContact CD2-CD2 3.68Å; F99-F106 AromaticContact CD2-CE2 3.85Å; F99-F106 HydrophobicContact CD2-CE2 3.85Å; F99-F106 AromaticContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CE2 4.02Å; F99-F106 HydrophobicContact CE2-CG 4.29Å |
| 107 | R | 94.3 | Very high | 92.3 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.2 | 165.9 | 179.9 | 167.7 | 171.2 | -90.4 | -4.6 | 109.7 | L5 D95 E109 | L5-R107 HydrophobicContact CB-CB 4.49Å; L5-R107 PolarHBondContact N-O 2.65Å; L5-R107 PolarHBondContact O-N 2.71Å; D95-R107 CarbonylContact O-C 3.47Å; D95-R107 WeakPolarHBondContact O-CA 3.12Å; R107-E109 IonicContact CZ-OE2 3.51Å; R107-E109 IonicContact NH1-OE2 3.06Å; R107-E109 PolarHBondContact NH1-OE2 2.88Å; R107-E109 IonicContact NH2-OE2 3.3Å |
| 108 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.9 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | W2 L4 L66 L91 G94 D95 V97 | W2-V108 HydrophobicContact CE3-CG1 3.52Å; W2-V108 HydrophobicContact CZ3-CG1 3.47Å; W2-V108 VanDerWaalsContact CZ3-CG1 3.47Å; L4-V108 HydrophobicContact CD2-CB 4.48Å; L4-V108 HydrophobicContact CD2-CG2 3.87Å; L66-V108 HydrophobicContact CD2-CG1 3.58Å; L91-V108 HydrophobicContact CB-CG1 4.46Å; L91-V108 HydrophobicContact CB-CG2 4.45Å; L91-V108 HydrophobicContact CD1-CG2 3.99Å; L91-V108 HydrophobicContact CD2-CG2 4.36Å; G94-V108 WeakPolarHBondContact CA-O 3.28Å; G94-V108 PolarHBondContact N-O 2.97Å; D95-V108 HydrophobicContact CB-CB 4.31Å; D95-V108 HydrophobicContact CB-CG2 4.11Å; D95-V108 PolarHBondContact O-N 3.39Å; V97-V108 HydrophobicContact CG2-CG2 3.76Å |
| 109 | E | 94.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 136.2 | 170.7 | -169.4 | 167 | 107.2 | 0 | 0 | 111 | K3 L5 R107 | K3-E109 VanDerWaalsContact CE-CD 3.49Å; K3-E109 WeakPolarHBondContact CE-OE1 3.44Å; K3-E109 HydrophobicContact CG-CB 4.04Å; K3-E109 PolarHBondContact N-O 3.36Å; K3-E109 IonicContact NZ-OE1 2.72Å; K3-E109 PolarHBondContact NZ-OE1 3.26Å; K3-E109 PolarHBondContact O-N 3.19Å; L5-E109 HydrophobicContact CD1-CB 4.13Å; R107-E109 IonicContact CZ-OE2 3.51Å; R107-E109 IonicContact NH1-OE2 3.06Å; R107-E109 PolarHBondContact NH1-OE2 2.88Å; R107-E109 IonicContact NH2-OE2 3.3Å |
| 110 | Y | 93.8 | Very high | 91.3 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.8 | 166.6 | -180 | -105.3 | 0 | 0 | 0 | 109.5 | M1 W2 I63 P64 T93 P112 | M1-Y110 VanDerWaalsContact N-CE2 3.34Å; M1-Y110 VanDerWaalsContact O-CD2 3.31Å; M1-Y110 WeakPolarHBondContact O-CD2 3.34Å; W2-Y110 AromaticContact CD1-CD2 3.97Å; W2-Y110 AromaticContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CG 4.49Å; W2-Y110 AromaticContact CE2-CD2 3.68Å; W2-Y110 HydrophobicContact CG-CD2 4.11Å; W2-Y110 HydrophobicContact CZ2-CD2 4.17Å; W2-Y110 HydrophobicContact CZ2-CG 4.44Å; W2-Y110 AromaticContact NE1-CD2 3.68Å; I63-Y110 HydrophobicContact CD1-CE1 4.15Å; I63-Y110 HydrophobicContact CG1-CE1 4.25Å; I63-Y110 HydrophobicContact CG2-CD1 4.37Å; I63-Y110 HydrophobicContact CG2-CD2 4.25Å; I63-Y110 HydrophobicContact CG2-CE1 3.94Å; I63-Y110 HydrophobicContact CG2-CE2 3.82Å; P64-Y110 HydrophobicContact CG-CE2 4.13Å; T93-Y110 PolarHBondContact OG1-N 2.94Å; Y110-P112 HydrophobicContact CD1-CG 4.27Å; Y110-P112 HydrophobicContact CE1-CB 4.25Å; Y110-P112 HydrophobicContact CE1-CG 4Å |
| 111 | E | 93 | Very high | 91 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | trans | -112.4 | 110.7 | 176.6 | -170.3 | 173.9 | 137.9 | 0 | 0 | 107.4 | M1 K3 L113 | M1-E111 PolarHBondContact N-O 3.02Å; M1-E111 PolarHBondContact O-N 2.9Å; K3-E111 WeakPolarHBondContact CE-OE2 3.33Å; K3-E111 IonicContact NZ-OE2 2.71Å; K3-E111 PolarHBondContact NZ-OE2 2.89Å; E111-L113 PolarHBondContact O-N 2.84Å | ||
| 112 | P | 91.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | trans | -55.9 | 138.9 | -179.6 | -26.7 | 35.2 | 0 | 0 | 0 | 111.9 | Y110 T148 | Y110-P112 HydrophobicContact CD1-CG 4.27Å; Y110-P112 HydrophobicContact CE1-CB 4.25Å; Y110-P112 HydrophobicContact CE1-CG 4Å; P112-T148 HydrophobicContact CB-CG2 4.46Å | ||
| 113 | L | 93.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | trans | -141.7 | 67.7 | -179.4 | -168.2 | 67.8 | 0 | 0 | 0 | 109.6 | E111 V115 L135 G137 L138 F177 F180 | E111-L113 PolarHBondContact O-N 2.84Å; L113-V115 HydrophobicContact CG-CG2 4.37Å; L113-L135 HydrophobicContact CD2-CB 3.9Å; L113-L135 HydrophobicContact CD2-CD1 4.41Å; L113-G137 CarbonylContact O-C 3.55Å; L113-G137 WeakPolarHBondContact O-CA 3.31Å; L113-L138 PolarHBondContact O-N 2.82Å; L113-F177 HydrophobicContact CD1-CE1 4.13Å; L113-F177 HydrophobicContact CD2-CE1 4.49Å; L113-F177 HydrophobicContact CG-CE1 4.48Å; L113-F180 HydrophobicContact CD2-CE1 4.48Å | ||
| 114 | V | 93.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129 | 175 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | L138 A140 E146 T148 H149 | V114-L138 WeakPolarHBondContact CA-O 3.38Å; V114-L138 HydrophobicContact CG2-CB 4.37Å; V114-L138 HydrophobicContact CG2-CD1 4.48Å; V114-A140 HydrophobicContact CG1-CB 4Å; V114-E146 WeakPolarHBondContact CB-O 3.37Å; V114-E146 HydrophobicContact CG2-CB 4.29Å; V114-T148 PolarHBondContact N-OG1 2.77Å; V114-T148 PolarHBondContact O-N 3Å; V114-T148 PolarHBondContact O-OG1 2.94Å; V114-H149 PolarHBondContact O-N 2.74Å |
| 115 | V | 94.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125 | -169.7 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | L113 I132 L138 T139 A140 H149 V151 F177 | L113-V115 HydrophobicContact CG-CG2 4.37Å; V115-I132 HydrophobicContact CB-CD1 3.7Å; V115-I132 HydrophobicContact CB-CG1 4.41Å; V115-I132 HydrophobicContact CG1-CD1 3.77Å; V115-I132 HydrophobicContact CG2-CD1 4.01Å; V115-I132 HydrophobicContact CG2-CG1 4.17Å; V115-I132 HydrophobicContact CG2-CG2 4.35Å; V115-L138 PolarHBondContact N-O 2.83Å; V115-T139 CarbonylContact O-C 3.57Å; V115-T139 WeakPolarHBondContact O-CA 3.15Å; V115-A140 PolarHBondContact O-N 3.47Å; V115-H149 HydrophobicContact CG1-CB 4.24Å; V115-H149 HydrophobicContact CG2-CB 4.38Å; V115-V151 HydrophobicContact CG1-CG2 3.37Å; V115-F177 HydrophobicContact CB-CZ 4.44Å; V115-F177 HydrophobicContact CG1-CE2 3.92Å; V115-F177 HydrophobicContact CG1-CZ 3.92Å; V115-F177 HydrophobicContact CG2-CE1 3.8Å; V115-F177 HydrophobicContact CG2-CE2 4.38Å; V115-F177 HydrophobicContact CG2-CZ 3.58Å |
| 116 | C | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.9 | 173.5 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | A140 W143 H149 L150 V151 | C116-A140 WeakPolarHBondContact CA-O 3.38Å; C116-A140 HydrophobicContact CB-CB 4.46Å; C116-A140 PolarHBondContact SG-O 3.16Å; C116-W143 HydrophobicContact CB-CE3 3.62Å; C116-W143 HydrophobicContact CB-CZ3 3.83Å; C116-H149 PolarHBondContact N-O 3.19Å; C116-L150 HydrophobicContact CB-CD1 4.23Å; C116-V151 PolarHBondContact O-N 3.41Å |
| 117 | S | 92.3 | Very high | 91 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.3 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | K160 | S117-K160 PolarHBondContact O-NZ 2.98Å |
| 118 | S | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -143.1 | 143.7 | 176.8 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | L120 V151 T158 | S118-L120 PolarHBondContact O-N 3.45Å; S118-V151 PolarHBondContact N-O 3Å; S118-T158 WeakPolarHBondContact OG-CG2 3.36Å; S118-T158 PolarHBondContact OG-OG1 2.95Å | ||
| 119 | C | 86.1 | Confident | 90.8 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 55.2 | 16.5 | -178 | -57.4 | 0 | 0 | 0 | 0 | 116.3 | M152 S736 | C119-M152 HydrophobicContact CB-CE 3.84Å; C119-S736 VanDerWaalsContact CA-OG 3.31Å; C119-S736 WeakPolarHBondContact CA-OG 3.37Å; C119-S736 PolarHBondContact N-OG 3.23Å |
| 120 | L | 86.1 | Confident | 90.7 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | trans | -88.1 | 144 | 170.5 | -61.1 | -172.6 | 0 | 0 | 0 | 111.6 | S118 K125 L128 V151 A153 P174 | S118-L120 PolarHBondContact O-N 3.45Å; L120-K125 HydrophobicContact CB-CG 3.86Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; L120-K125 PolarHBondContact O-NZ 3.49Å; L120-L128 HydrophobicContact CD1-CD2 3.55Å; L120-V151 HydrophobicContact CD1-CB 4.41Å; L120-V151 HydrophobicContact CD1-CG1 4Å; L120-A153 HydrophobicContact CD2-CB 4.14Å; L120-P174 HydrophobicContact CD2-CG 4.34Å | ||
| 121 | D | 85.9 | Confident | 90.7 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | trans | -75.4 | 176.2 | 172.4 | 84.3 | -64 | 0 | 0 | 0 | 111.9 | S123 G124 K125 | D121-S123 VanDerWaalsContact C-N 3.34Å; D121-S123 PolarHBondContact O-N 3.5Å; D121-S123 WeakPolarHBondContact OD2-CA 3.15Å; D121-S123 WeakPolarHBondContact OD2-CB 3.47Å; D121-S123 PolarHBondContact OD2-N 3.06Å; D121-S123 PolarHBondContact OD2-OG 2.99Å; D121-G124 WeakPolarHBondContact OD1-CA 3.34Å; D121-G124 PolarHBondContact OD1-N 3.39Å; D121-K125 WeakPolarHBondContact O-CB 3.41Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 2.83Å | ||
| 122 | V | 85.9 | Confident | 90.8 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 42% | 0.418 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -36.1 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | T126 R729 | V122-T126 WeakPolarHBondContact O-CG2 3.27Å; V122-T126 PolarHBondContact O-N 2.98Å; V122-T126 PolarHBondContact O-OG1 3.38Å; V122-R729 HydrophobicContact CG2-CG 3.91Å |
| 123 | S | 87.7 | Confident | 90.8 | Very high | 74 Ų | 74 | 40.6 Ų | 40.6 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.4 | -39.5 | 179.8 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | D121 K125 T126 V127 | D121-S123 VanDerWaalsContact C-N 3.34Å; D121-S123 PolarHBondContact O-N 3.5Å; D121-S123 WeakPolarHBondContact OD2-CA 3.15Å; D121-S123 WeakPolarHBondContact OD2-CB 3.47Å; D121-S123 PolarHBondContact OD2-N 3.06Å; D121-S123 PolarHBondContact OD2-OG 2.99Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.19Å; S123-T126 PolarHBondContact O-N 3.43Å; S123-T126 PolarHBondContact O-OG1 2.75Å; S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 2.9Å |
| 124 | G | 88.3 | Confident | 90.8 | Very high | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D121 L128 | D121-G124 WeakPolarHBondContact OD1-CA 3.34Å; D121-G124 PolarHBondContact OD1-N 3.39Å; G124-L128 WeakPolarHBondContact O-CB 3.47Å; G124-L128 PolarHBondContact O-N 2.8Å |
| 125 | K | 88.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.1 | -76.8 | 172.7 | 176.3 | 171 | 0 | 113.1 | L120 D121 S123 L128 N129 | L120-K125 HydrophobicContact CB-CG 3.86Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; L120-K125 PolarHBondContact O-NZ 3.49Å; D121-K125 WeakPolarHBondContact O-CB 3.41Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 2.83Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.19Å; K125-L128 PolarHBondContact O-N 3.43Å; K125-N129 VanDerWaalsContact O-CB 3.3Å; K125-N129 WeakPolarHBondContact O-CB 3.21Å; K125-N129 PolarHBondContact O-N 3.18Å; K125-N129 PolarHBondContact O-OD1 3.28Å; K125-N129 VanDerWaalsContact O-OD1 3.14Å |
| 126 | T | 89.6 | Confident | 90.7 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.6 | -41.2 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | V122 S123 Q130 | V122-T126 WeakPolarHBondContact O-CG2 3.27Å; V122-T126 PolarHBondContact O-N 2.98Å; V122-T126 PolarHBondContact O-OG1 3.38Å; S123-T126 PolarHBondContact O-N 3.43Å; S123-T126 PolarHBondContact O-OG1 2.75Å; T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 PolarHBondContact O-N 3.44Å |
| 127 | V | 92.1 | Very high | 90.6 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | S123 Q130 A131 | S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 2.9Å; V127-Q130 PolarHBondContact O-N 2.61Å; V127-A131 PolarHBondContact O-N 3.19Å |
| 128 | L | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 177 | 177.3 | 63 | 0 | 0 | 0 | 111.6 | L120 G124 K125 Q130 A131 I132 V151 F177 | L120-L128 HydrophobicContact CD1-CD2 3.55Å; G124-L128 WeakPolarHBondContact O-CB 3.47Å; G124-L128 PolarHBondContact O-N 2.8Å; K125-L128 PolarHBondContact O-N 3.43Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.48Å; L128-A131 PolarHBondContact O-N 3.14Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.61Å; L128-I132 WeakPolarHBondContact O-CD1 3.39Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 2.66Å; L128-V151 HydrophobicContact CD1-CG1 4.23Å; L128-V151 HydrophobicContact CD1-CG2 4.26Å; L128-V151 HydrophobicContact CD2-CB 3.78Å; L128-V151 HydrophobicContact CD2-CG1 3.76Å; L128-V151 HydrophobicContact CD2-CG2 4.03Å; L128-F177 HydrophobicContact CD1-CB 4.07Å; L128-F177 HydrophobicContact CD1-CD2 3.64Å; L128-F177 HydrophobicContact CD1-CE2 4.45Å; L128-F177 HydrophobicContact CD1-CG 4.04Å |
| 129 | N | 91.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | -179.4 | -70.5 | 9.7 | 0 | 0 | 0 | 111.6 | K125 I132 L133 T139 | K125-N129 VanDerWaalsContact O-CB 3.3Å; K125-N129 WeakPolarHBondContact O-CB 3.21Å; K125-N129 PolarHBondContact O-N 3.18Å; K125-N129 PolarHBondContact O-OD1 3.28Å; K125-N129 VanDerWaalsContact O-OD1 3.14Å; N129-I132 PolarHBondContact O-N 2.68Å; N129-L133 VanDerWaalsContact O-CB 3.32Å; N129-L133 WeakPolarHBondContact O-CB 2.87Å; N129-L133 PolarHBondContact O-N 3.15Å; N129-T139 HydrophobicContact CB-CG2 4.01Å; N129-T139 WeakPolarHBondContact OD1-CG2 3.39Å |
| 130 | Q | 91.8 | Very high | 90.6 | Very high | 120 Ų | 120 | 43.2 Ų | 43.2 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.9 | -46.2 | 174.6 | -177.5 | -179 | -25.1 | 0 | 0 | 111.6 | T126 V127 L128 I132 L133 Q134 | T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 PolarHBondContact O-N 3.44Å; V127-Q130 PolarHBondContact O-N 2.61Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.48Å; Q130-I132 PolarHBondContact O-N 2.67Å; Q130-L133 PolarHBondContact O-N 2.65Å; Q130-Q134 WeakPolarHBondContact O-CG 3.28Å; Q130-Q134 PolarHBondContact O-N 3.49Å |
| 131 | A | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V127 L128 Q134 L135 F177 L181 | V127-A131 PolarHBondContact O-N 3.19Å; L128-A131 PolarHBondContact O-N 3.14Å; A131-Q134 PolarHBondContact O-N 3.05Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.41Å; A131-L135 PolarHBondContact O-N 3.34Å; A131-F177 HydrophobicContact CB-CB 4.33Å; A131-L181 HydrophobicContact CB-CD2 4.38Å |
| 132 | I | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.1 | -66.4 | 158.4 | 0 | 0 | 0 | 111.2 | V115 L128 N129 Q130 Q134 L135 G136 G137 T139 F177 | V115-I132 HydrophobicContact CB-CD1 3.7Å; V115-I132 HydrophobicContact CB-CG1 4.41Å; V115-I132 HydrophobicContact CG1-CD1 3.77Å; V115-I132 HydrophobicContact CG2-CD1 4.01Å; V115-I132 HydrophobicContact CG2-CG1 4.17Å; V115-I132 HydrophobicContact CG2-CG2 4.35Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.61Å; L128-I132 WeakPolarHBondContact O-CD1 3.39Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 2.66Å; N129-I132 PolarHBondContact O-N 2.68Å; Q130-I132 PolarHBondContact O-N 2.67Å; I132-Q134 PolarHBondContact O-N 2.84Å; I132-L135 CarbonylContact O-C 3.54Å; I132-L135 PolarHBondContact O-N 2.98Å; I132-G136 PolarHBondContact O-N 2.82Å; I132-G137 VanDerWaalsContact CG2-C 3.45Å; I132-G137 PolarHBondContact O-N 2.8Å; I132-T139 HydrophobicContact CB-CG2 4.11Å; I132-T139 HydrophobicContact CD1-CG2 3.77Å; I132-T139 HydrophobicContact CG2-CG2 3.96Å; I132-F177 HydrophobicContact CG1-CD1 4.03Å; I132-F177 HydrophobicContact CG1-CE1 4.4Å; I132-F177 HydrophobicContact CG1-CG 4.22Å |
| 133 | L | 92 | Very high | 90.8 | Very high | 98 Ų | 98 | 48 Ų | 48 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.7 | -173.8 | 108.4 | 0 | 0 | 0 | 110.6 | A20 F52 N129 Q130 L135 G136 | A20-L133 WeakPolarHBondContact CB-O 3.47Å; F52-L133 HydrophobicContact CD2-CD1 4.28Å; F52-L133 HydrophobicContact CD2-CG 4.38Å; F52-L133 HydrophobicContact CE2-CD1 3.98Å; F52-L133 HydrophobicContact CE2-CG 3.8Å; F52-L133 WeakPolarHBondContact CE2-O 3.15Å; F52-L133 HydrophobicContact CZ-CD1 4.31Å; F52-L133 HydrophobicContact CZ-CG 4.32Å; N129-L133 VanDerWaalsContact O-CB 3.32Å; N129-L133 WeakPolarHBondContact O-CB 2.87Å; N129-L133 PolarHBondContact O-N 3.15Å; Q130-L133 PolarHBondContact O-N 2.65Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.83Å; L133-G136 PolarHBondContact O-N 2.84Å |
| 134 | Q | 93.1 | Very high | 91 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -34.5 | 176.7 | -69.4 | -178 | -90.8 | 0 | 0 | 112.6 | L19 A20 Q130 A131 I132 G136 L181 | L19-Q134 CarbonylContact C-O 3.51Å; L19-Q134 VanDerWaalsContact CA-O 3.28Å; L19-Q134 WeakPolarHBondContact CA-O 3.31Å; L19-Q134 WeakPolarHBondContact CB-O 3.37Å; L19-Q134 WeakPolarHBondContact CD2-O 3.24Å; A20-Q134 PolarHBondContact N-O 3.03Å; Q130-Q134 WeakPolarHBondContact O-CG 3.28Å; Q130-Q134 PolarHBondContact O-N 3.49Å; A131-Q134 PolarHBondContact O-N 3.05Å; I132-Q134 PolarHBondContact O-N 2.84Å; Q134-G136 PolarHBondContact O-N 2.91Å; Q134-L181 HydrophobicContact CB-CD1 3.87Å; Q134-L181 HydrophobicContact CB-CD2 4.31Å |
| 135 | L | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -3.6 | 172.2 | -71.5 | 165.8 | 0 | 0 | 0 | 114 | M1 L19 L113 A131 I132 L133 F177 F180 L181 V184 | M1-L135 VanDerWaalsContact CB-O 3.24Å; M1-L135 WeakPolarHBondContact CB-O 3.24Å; M1-L135 HydrophobicContact CE-CB 4.28Å; M1-L135 HydrophobicContact CE-CD2 3.58Å; M1-L135 WeakPolarHBondContact CE-O 3.47Å; M1-L135 VanDerWaalsContact CG-O 3.28Å; M1-L135 WeakPolarHBondContact CG-O 3.31Å; M1-L135 HydrophobicContact SD-CD2 4.37Å; L19-L135 HydrophobicContact CD2-CD2 3.95Å; L113-L135 HydrophobicContact CD2-CB 3.9Å; L113-L135 HydrophobicContact CD2-CD1 4.41Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.41Å; A131-L135 PolarHBondContact O-N 3.34Å; I132-L135 CarbonylContact O-C 3.54Å; I132-L135 PolarHBondContact O-N 2.98Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.83Å; L135-F177 HydrophobicContact CD1-CB 4.45Å; L135-F177 HydrophobicContact CD1-CD1 3.87Å; L135-F180 HydrophobicContact CD1-CB 4.49Å; L135-F180 HydrophobicContact CD1-CD1 3.74Å; L135-F180 HydrophobicContact CD1-CE1 4.27Å; L135-F180 HydrophobicContact CD1-CG 4.29Å; L135-F180 HydrophobicContact CD2-CD1 4.03Å; L135-F180 HydrophobicContact CD2-CD2 4.39Å; L135-F180 HydrophobicContact CD2-CE1 4.15Å; L135-F180 HydrophobicContact CD2-CE2 4.49Å; L135-F180 HydrophobicContact CD2-CG 4.15Å; L135-F180 HydrophobicContact CD2-CZ 4.37Å; L135-L181 HydrophobicContact CD2-CB 4.45Å; L135-L181 HydrophobicContact CD2-CD1 4.43Å; L135-L181 HydrophobicContact CG-CB 4.46Å; L135-L181 HydrophobicContact CG-CD1 4.43Å; L135-V184 HydrophobicContact CD2-CG2 4.39Å |
| 136 | G | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 44.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 I132 L133 Q134 | M1-G136 VanDerWaalsContact CA-O 3.27Å; M1-G136 WeakPolarHBondContact CA-O 3.36Å; M1-G136 PolarHBondContact N-O 3.49Å; I132-G136 PolarHBondContact O-N 2.82Å; L133-G136 PolarHBondContact O-N 2.84Å; Q134-G136 PolarHBondContact O-N 2.91Å |
| 137 | G | 91.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -117.2 | -179.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F52 L113 I132 | F52-G137 WeakPolarHBondContact CZ-O 3.27Å; L113-G137 CarbonylContact O-C 3.55Å; L113-G137 WeakPolarHBondContact O-CA 3.31Å; I132-G137 VanDerWaalsContact CG2-C 3.45Å; I132-G137 PolarHBondContact O-N 2.8Å | ||
| 138 | L | 90.4 | Very high | 91.2 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 152.6 | -174.3 | -58.5 | 179 | 0 | 0 | 0 | 111.1 | F52 A60 L113 V114 V115 | F52-L138 HydrophobicContact CD1-CD2 4.43Å; F52-L138 HydrophobicContact CE1-CD2 3.77Å; A60-L138 WeakPolarHBondContact O-CB 3.48Å; A60-L138 WeakPolarHBondContact O-CD2 2.89Å; L113-L138 PolarHBondContact O-N 2.82Å; V114-L138 WeakPolarHBondContact CA-O 3.38Å; V114-L138 HydrophobicContact CG2-CB 4.37Å; V114-L138 HydrophobicContact CG2-CD1 4.48Å; V115-L138 PolarHBondContact N-O 2.83Å |
| 139 | T | 90.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 110.6 | -174.9 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | V115 N129 I132 | V115-T139 CarbonylContact O-C 3.57Å; V115-T139 WeakPolarHBondContact O-CA 3.15Å; N129-T139 HydrophobicContact CB-CG2 4.01Å; N129-T139 WeakPolarHBondContact OD1-CG2 3.39Å; I132-T139 HydrophobicContact CB-CG2 4.11Å; I132-T139 HydrophobicContact CD1-CG2 3.77Å; I132-T139 HydrophobicContact CG2-CG2 3.96Å |
| 140 | A | 88.4 | Confident | 91.5 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V114 V115 C116 N142 | V114-A140 HydrophobicContact CG1-CB 4Å; V115-A140 PolarHBondContact O-N 3.47Å; C116-A140 WeakPolarHBondContact CA-O 3.38Å; C116-A140 HydrophobicContact CB-CB 4.46Å; C116-A140 PolarHBondContact SG-O 3.16Å; A140-N142 WeakPolarHBondContact CB-O 3.42Å |
| 141 | N | 85.2 | Confident | 91.6 | Very high | 134 Ų | 134 | 43.4 Ų | 43.4 | 72% | 0.717 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -71.5 | -35.3 | 177.7 | -74.9 | -31.7 | 0 | 0 | 0 | 112.7 | K160 | N141-K160 WeakPolarHBondContact O-CE 3.32Å; N141-K160 PolarHBondContact O-NZ 2.97Å |
| 142 | N | 86.1 | Confident | 91.5 | Very high | 120 Ų | 120 | 43.1 Ų | 43.1 | 64% | 0.642 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -113.9 | 166.8 | 174.6 | -65.5 | -32.7 | 0 | 0 | 0 | 109.6 | A140 | A140-N142 WeakPolarHBondContact CB-O 3.42Š|
| 143 | W | 90.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 6% | 0.064 | 25% | 0.247 | C | C | . | . | trans | -82.4 | 139.4 | 174.4 | -166.8 | -85.8 | 0 | 0 | 0 | 111.5 | C116 C147 L150 C163 A164 C167 C169 F244 | C116-W143 HydrophobicContact CB-CE3 3.62Å; C116-W143 HydrophobicContact CB-CZ3 3.83Å; W143-C147 HydrophobicContact CD2-CB 3.75Å; W143-C147 HydrophobicContact CE3-CB 3.81Å; W143-C147 HydrophobicContact CG-CB 4.46Å; W143-C147 HydrophobicContact CH2-CB 3.6Å; W143-C147 WeakPolarHBondContact CH2-O 3.47Å; W143-C147 HydrophobicContact CZ2-CB 3.54Å; W143-C147 VanDerWaalsContact CZ2-O 3.25Å; W143-C147 WeakPolarHBondContact CZ2-O 3.44Å; W143-C147 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CE3-CD1 4.27Å; W143-L150 HydrophobicContact CH2-CB 4.27Å; W143-L150 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CZ3-CD1 4.07Å; W143-L150 HydrophobicContact CZ3-CG 4.42Å; W143-C163 HydrophobicContact CB-CB 3.92Å; W143-C163 HydrophobicContact CD2-CB 4.03Å; W143-C163 HydrophobicContact CG-CB 3.43Å; W143-C163 VanDerWaalsContact CG-CB 3.43Å; W143-A164 HydrophobicContact CE3-CB 4.38Å; W143-A164 HydrophobicContact CH2-CB 3.6Å; W143-A164 HydrophobicContact CZ2-CB 3.9Å; W143-A164 HydrophobicContact CZ3-CB 3.87Å; W143-C167 HydrophobicContact CZ2-CB 4.29Å; W143-C167 PolarHBondContact NE1-SG 3.26Å; W143-C169 HydrophobicContact CH2-CB 3.81Å; W143-C169 HydrophobicContact CZ2-CB 3.84Å; W143-F244 AromaticContact CD1-CE2 3.77Å | ||
| 144 | T | 90.1 | Very high | 91.2 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | trans | -136.3 | 164.3 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 109.3 | E146 C147 | T144-E146 PolarHBondContact O-N 2.86Å; T144-C147 PolarHBondContact N-SG 3.03Å; T144-C147 VanDerWaalsContact N-SG 3.38Å; T144-C147 VanDerWaalsContact O-CB 3.24Å; T144-C147 WeakPolarHBondContact O-CB 3.14Å; T144-C147 PolarHBondContact O-N 3.19Å; T144-C147 PolarHBondContact OG1-SG 2.86Å | ||
| 145 | E | 87.3 | Confident | 90.9 | Very high | 144 Ų | 144 | 39.5 Ų | 39.5 | 67% | 0.673 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.3 | 177.2 | -59.4 | -165.7 | 168.9 | 0 | 0 | 113.3 | C147 F244 | E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.92Å; E145-F244 HydrophobicContact CG-CD1 3.79Å; E145-F244 HydrophobicContact CG-CE1 3.39Å; E145-F244 HydrophobicContact CG-CZ 4.14Å; E145-F244 WeakPolarHBondContact OE1-CD1 3.41Å; E145-F244 WeakPolarHBondContact OE1-CE1 3.32Å |
| 146 | E | 89.9 | Confident | 90.6 | Very high | 142 Ų | 142 | 42.2 Ų | 42.2 | 66% | 0.664 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16 | 175.2 | -56.8 | -175.1 | -180 | 0 | 0 | 113.3 | V114 T144 T148 | V114-E146 WeakPolarHBondContact CB-O 3.37Å; V114-E146 HydrophobicContact CG2-CB 4.29Å; T144-E146 PolarHBondContact O-N 2.86Å; E146-T148 PolarHBondContact O-N 2.74Å |
| 147 | C | 92.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 106.5 | -177.5 | -73 | 0 | 0 | 0 | 0 | 111.8 | W143 T144 E145 C169 | W143-C147 HydrophobicContact CD2-CB 3.75Å; W143-C147 HydrophobicContact CE3-CB 3.81Å; W143-C147 HydrophobicContact CG-CB 4.46Å; W143-C147 HydrophobicContact CH2-CB 3.6Å; W143-C147 WeakPolarHBondContact CH2-O 3.47Å; W143-C147 HydrophobicContact CZ2-CB 3.54Å; W143-C147 VanDerWaalsContact CZ2-O 3.25Å; W143-C147 WeakPolarHBondContact CZ2-O 3.44Å; W143-C147 HydrophobicContact CZ3-CB 3.72Å; T144-C147 PolarHBondContact N-SG 3.03Å; T144-C147 VanDerWaalsContact N-SG 3.38Å; T144-C147 VanDerWaalsContact O-CB 3.24Å; T144-C147 WeakPolarHBondContact O-CB 3.14Å; T144-C147 PolarHBondContact O-N 3.19Å; T144-C147 PolarHBondContact OG1-SG 2.86Å; E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.92Å; C147-C169 PolarHBondContact O-SG 2.91Å |
| 148 | T | 94.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -27 | -177.8 | 64.4 | 0 | 0 | 0 | 0 | 114 | P112 V114 E146 P170 | P112-T148 HydrophobicContact CB-CG2 4.46Å; V114-T148 PolarHBondContact N-OG1 2.77Å; V114-T148 PolarHBondContact O-N 3Å; V114-T148 PolarHBondContact O-OG1 2.94Å; E146-T148 PolarHBondContact O-N 2.74Å; T148-P170 WeakPolarHBondContact O-CD 3.5Å |
| 149 | H | 94.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 42 Ų | 42 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.6 | -175.9 | -64.6 | 76.6 | 0 | 0 | 0 | 111.1 | V114 V115 C116 Y176 F177 | V114-H149 PolarHBondContact O-N 2.74Å; V115-H149 HydrophobicContact CG1-CB 4.24Å; V115-H149 HydrophobicContact CG2-CB 4.38Å; C116-H149 PolarHBondContact N-O 3.19Å; H149-Y176 AromaticContact NE2-CE1 3.81Å; H149-F177 HydrophobicContact CB-CE2 4.48Å; H149-F177 HydrophobicContact CB-CZ 4.01Å; H149-F177 AromaticContact CG-CZ 3.88Å |
| 150 | L | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.2 | 163.8 | -176.4 | 62.5 | 0 | 0 | 0 | 109.9 | C116 W143 M152 K160 A164 P170 I171 V172 | C116-L150 HydrophobicContact CB-CD1 4.23Å; W143-L150 HydrophobicContact CE3-CD1 4.27Å; W143-L150 HydrophobicContact CH2-CB 4.27Å; W143-L150 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CZ3-CD1 4.07Å; W143-L150 HydrophobicContact CZ3-CG 4.42Å; L150-M152 HydrophobicContact CD2-CG 4.3Å; L150-M152 HydrophobicContact CD2-SD 3.96Å; L150-M152 HydrophobicContact CG-CG 4.13Å; L150-M152 HydrophobicContact CG-SD 4.44Å; L150-K160 HydrophobicContact CD1-CB 3.92Å; L150-A164 HydrophobicContact CB-CB 3.92Å; L150-A164 HydrophobicContact CD2-CB 3.87Å; L150-A164 HydrophobicContact CG-CB 4.5Å; L150-P170 PolarHBondContact N-O 3.32Å; L150-I171 HydrophobicContact CB-CG1 4.29Å; L150-I171 HydrophobicContact CB-CG2 4.33Å; L150-I171 HydrophobicContact CD2-CD1 4.26Å; L150-I171 HydrophobicContact CD2-CG1 4.15Å; L150-I171 HydrophobicContact CD2-CG2 4.14Å; L150-I171 HydrophobicContact CG-CG2 4.27Å; L150-I171 CarbonylContact O-C 3.59Å; L150-I171 WeakPolarHBondContact O-CA 3.18Å; L150-V172 PolarHBondContact O-N 3.36Å |
| 151 | V | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.5 | 178.6 | -168.1 | 0 | 0 | 0 | 0 | 112 | V115 C116 S118 L120 L128 V172 P174 F177 | V115-V151 HydrophobicContact CG1-CG2 3.37Å; C116-V151 PolarHBondContact O-N 3.41Å; S118-V151 PolarHBondContact N-O 3Å; L120-V151 HydrophobicContact CD1-CB 4.41Å; L120-V151 HydrophobicContact CD1-CG1 4Å; L128-V151 HydrophobicContact CD1-CG1 4.23Å; L128-V151 HydrophobicContact CD1-CG2 4.26Å; L128-V151 HydrophobicContact CD2-CB 3.78Å; L128-V151 HydrophobicContact CD2-CG1 3.76Å; L128-V151 HydrophobicContact CD2-CG2 4.03Å; V151-V172 VanDerWaalsContact CA-O 3.31Å; V151-V172 WeakPolarHBondContact CA-O 3.48Å; V151-V172 HydrophobicContact CG2-CG2 4.08Å; V151-P174 VanDerWaalsContact CG1-CA 3.5Å; V151-P174 HydrophobicContact CG1-CB 3.8Å; V151-P174 HydrophobicContact CG1-CG 4.49Å; V151-F177 HydrophobicContact CG2-CD2 4.1Å; V151-F177 HydrophobicContact CG2-CE2 3.57Å |
| 152 | M | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -146.2 | 146.3 | 178.7 | -52.3 | -172.4 | 75.7 | 0 | 0 | 110.6 | C119 L150 S154 K156 T158 T161 I171 V172 | C119-M152 HydrophobicContact CB-CE 3.84Å; L150-M152 HydrophobicContact CD2-CG 4.3Å; L150-M152 HydrophobicContact CD2-SD 3.96Å; L150-M152 HydrophobicContact CG-CG 4.13Å; L150-M152 HydrophobicContact CG-SD 4.44Å; M152-S154 WeakPolarHBondContact CB-O 3.25Å; M152-K156 HydrophobicContact CE-CB 4.29Å; M152-T158 HydrophobicContact CE-CG2 4.48Å; M152-T161 PolarHBondContact SD-OG1 2.85Å; M152-I171 HydrophobicContact CB-CG2 4.47Å; M152-I171 HydrophobicContact CG-CG2 4.16Å; M152-I171 HydrophobicContact SD-CG2 4.23Å; M152-V172 PolarHBondContact N-O 2.84Å | ||
| 153 | A | 90.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 28.6 Ų | 28.6 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -76.4 | -37.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L120 | L120-A153 HydrophobicContact CD2-CB 4.14Š|
| 154 | S | 88.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 27.8 Ų | 27.8 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -137.1 | 148.8 | 166.9 | 59.9 | 0 | 0 | 0 | 0 | 109.2 | M152 K156 P199 D201 | M152-S154 WeakPolarHBondContact CB-O 3.25Å; S154-K156 PolarHBondContact O-N 3.04Å; S154-P199 CarbonylContact C-O 3.6Å; S154-P199 VanDerWaalsContact CA-O 3.31Å; S154-P199 WeakPolarHBondContact CA-O 3.26Å; S154-P199 WeakPolarHBondContact CB-O 3.39Å; S154-D201 WeakPolarHBondContact OG-CB 3.46Å; S154-D201 PolarHBondContact OG-OD2 3.4Å |
| 155 | V | 87.6 | Confident | 91.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -75.7 | 122.7 | 178.7 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | T161 I171 P198 P199 D201 L212 | V155-T161 HydrophobicContact CG1-CG2 3.97Å; V155-I171 HydrophobicContact CG2-CG2 4.44Å; V155-P198 HydrophobicContact CG2-CB 4.19Å; V155-P198 HydrophobicContact CG2-CG 3.71Å; V155-P199 PolarHBondContact N-O 3.43Å; V155-D201 CarbonylContact O-C 3.52Å; V155-D201 PolarHBondContact O-N 2.7Å; V155-L212 HydrophobicContact CB-CD1 4.32Å; V155-L212 HydrophobicContact CG1-CD1 3.97Å; V155-L212 HydrophobicContact CG2-CD1 4.07Å |
| 156 | K | 87 | Confident | 91.9 | Very high | 56 Ų | 56 | 18.2 Ų | 18.2 | 24% | 0.243 | 10% | 0.1 | C | C | . | . | trans | -123.5 | 149.6 | 164.4 | -54.5 | -164.8 | -179.2 | -151.2 | 0 | 107.7 | M152 S154 T158 T161 D201 | M152-K156 HydrophobicContact CE-CB 4.29Å; S154-K156 PolarHBondContact O-N 3.04Å; K156-T158 PolarHBondContact O-N 2.87Å; K156-T161 WeakPolarHBondContact O-CB 3.33Å; K156-T161 PolarHBondContact O-OG1 2.79Å; K156-D201 WeakPolarHBondContact CE-OD2 3.43Å; K156-D201 IonicContact NZ-OD2 3.77Å; K156-D201 PolarHBondContact NZ-OD2 2.81Å | ||
| 157 | V | 85.8 | Confident | 92 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.012 | 7% | 0.074 | C | C | . | . | trans | -86.7 | 75.3 | -174.2 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | I162 E202 I205 I315 L741 F742 | V157-I162 HydrophobicContact CG1-CD1 3.39Å; V157-I162 HydrophobicContact CG1-CG1 3.77Å; V157-E202 HydrophobicContact CG2-CB 4.45Å; V157-E202 HydrophobicContact CG2-CG 3.83Å; V157-E202 PolarHBondContact N-OE2 2.91Å; V157-I205 HydrophobicContact CG2-CD1 3.83Å; V157-I315 HydrophobicContact CB-CD1 4.18Å; V157-I315 HydrophobicContact CG1-CD1 3.61Å; V157-I315 HydrophobicContact CG2-CD1 3.53Å; V157-L741 HydrophobicContact CG1-CD1 4.4Å; V157-L741 WeakPolarHBondContact O-CB 3.17Å; V157-L741 PolarHBondContact O-N 2.94Å; V157-F742 HydrophobicContact CB-CD2 3.62Å; V157-F742 HydrophobicContact CB-CE2 3.52Å; V157-F742 HydrophobicContact CG1-CD2 4.08Å; V157-F742 HydrophobicContact CG1-CE2 3.48Å; V157-F742 VanDerWaalsContact CG1-CE2 3.48Å; V157-F742 HydrophobicContact CG1-CZ 4.47Å; V157-F742 HydrophobicContact CG2-CD2 4.37Å; V157-F742 HydrophobicContact CG2-CE2 4.21Å | ||
| 158 | T | 89.8 | Confident | 92 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 162.9 | 167 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | S118 M152 K156 K160 T161 I162 D739 | S118-T158 WeakPolarHBondContact OG-CG2 3.36Å; S118-T158 PolarHBondContact OG-OG1 2.95Å; M152-T158 HydrophobicContact CE-CG2 4.48Å; K156-T158 PolarHBondContact O-N 2.87Å; T158-K160 PolarHBondContact O-N 3.23Å; T158-T161 WeakPolarHBondContact O-CA 3.3Å; T158-T161 VanDerWaalsContact O-CB 3.28Å; T158-T161 WeakPolarHBondContact O-CB 3.38Å; T158-T161 PolarHBondContact O-N 3.24Å; T158-T161 PolarHBondContact OG1-N 2.85Å; T158-T161 PolarHBondContact OG1-OG1 3.37Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.07Å; T158-D739 CarbonylContact C-O 3.44Å; T158-D739 WeakPolarHBondContact CA-O 3.45Å; T158-D739 HydrophobicContact CG2-CB 4.06Å |
| 159 | I | 90.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 12.7 Ų | 12.7 | 6% | 0.062 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.2 | -35.7 | 173 | -171.9 | 51.8 | 0 | 0 | 0 | 112.7 | I162 C163 K237 L238 A241 D739 | I159-I162 HydrophobicContact CD1-CB 4.5Å; I159-I162 WeakPolarHBondContact O-CB 3.2Å; I159-I162 PolarHBondContact O-N 3.14Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.49Å; I159-K237 HydrophobicContact CB-CG 4.4Å; I159-K237 HydrophobicContact CG1-CG 4.38Å; I159-K237 WeakPolarHBondContact CG1-O 3.19Å; I159-K237 HydrophobicContact CG2-CG 4.27Å; I159-L238 HydrophobicContact CD1-CD2 3.91Å; I159-A241 HydrophobicContact CD1-CB 3.54Å; I159-D739 HydrophobicContact CG2-CB 4.44Å; I159-D739 WeakPolarHBondContact CG2-OD1 3.42Å; I159-D739 PolarHBondContact N-O 2.82Å |
| 160 | K | 92.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 13.5 Ų | 13.5 | 10% | 0.104 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 174.3 | -69.9 | 166.4 | 175 | 168.3 | 0 | 112.6 | S117 N141 L150 T158 I162 C163 A164 D739 | S117-K160 PolarHBondContact O-NZ 2.98Å; N141-K160 WeakPolarHBondContact O-CE 3.32Å; N141-K160 PolarHBondContact O-NZ 2.97Å; L150-K160 HydrophobicContact CD1-CB 3.92Å; T158-K160 PolarHBondContact O-N 3.23Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-C163 PolarHBondContact O-N 3.01Å; K160-A164 WeakPolarHBondContact O-CB 3.46Å; K160-A164 PolarHBondContact O-N 2.96Å; K160-D739 IonicContact NZ-OD2 3.07Å |
| 161 | T | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.3 | -61 | 0 | 0 | 0 | 0 | 111.1 | M152 V155 K156 T158 A164 L165 I171 | M152-T161 PolarHBondContact SD-OG1 2.85Å; V155-T161 HydrophobicContact CG1-CG2 3.97Å; K156-T161 WeakPolarHBondContact O-CB 3.33Å; K156-T161 PolarHBondContact O-OG1 2.79Å; T158-T161 WeakPolarHBondContact O-CA 3.3Å; T158-T161 VanDerWaalsContact O-CB 3.28Å; T158-T161 WeakPolarHBondContact O-CB 3.38Å; T158-T161 PolarHBondContact O-N 3.24Å; T158-T161 PolarHBondContact OG1-N 2.85Å; T158-T161 PolarHBondContact OG1-OG1 3.37Å; T161-A164 PolarHBondContact O-N 2.86Å; T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.05Å; T161-I171 HydrophobicContact CG2-CD1 3.93Å |
| 162 | I | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 176.4 | -65.9 | -50.3 | 0 | 0 | 0 | 111.7 | V157 T158 I159 K160 A164 L165 I166 A241 V314 I315 L741 | V157-I162 HydrophobicContact CG1-CD1 3.39Å; V157-I162 HydrophobicContact CG1-CG1 3.77Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.07Å; I159-I162 HydrophobicContact CD1-CB 4.5Å; I159-I162 WeakPolarHBondContact O-CB 3.2Å; I159-I162 PolarHBondContact O-N 3.14Å; K160-I162 VanDerWaalsContact C-N 3.32Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.88Å; I162-L165 HydrophobicContact CD1-CD1 4.5Å; I162-L165 PolarHBondContact O-N 3.39Å; I162-I166 HydrophobicContact CG2-CD1 3.83Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.02Å; I162-A241 HydrophobicContact CG2-CB 3.96Å; I162-V314 HydrophobicContact CD1-CB 4.18Å; I162-V314 HydrophobicContact CD1-CG1 4.21Å; I162-V314 HydrophobicContact CG2-CB 4.22Å; I162-V314 HydrophobicContact CG2-CG1 4.17Å; I162-V314 HydrophobicContact CG2-CG2 3.91Å; I162-I315 HydrophobicContact CD1-CD1 4.3Å; I162-I315 HydrophobicContact CD1-CG1 4.23Å; I162-L741 HydrophobicContact CG1-CD1 3.55Å |
| 163 | C | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | W143 I159 K160 I166 C167 F244 | W143-C163 HydrophobicContact CB-CB 3.92Å; W143-C163 HydrophobicContact CD2-CB 4.03Å; W143-C163 HydrophobicContact CG-CB 3.43Å; W143-C163 VanDerWaalsContact CG-CB 3.43Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.49Å; K160-C163 PolarHBondContact O-N 3.01Å; C163-I166 PolarHBondContact O-N 2.62Å; C163-C167 WeakPolarHBondContact O-CB 3.35Å; C163-C167 PolarHBondContact O-N 3.42Å; C163-C167 PolarHBondContact O-SG 3.45Å; C163-F244 HydrophobicContact CB-CD2 4.09Å; C163-F244 HydrophobicContact CB-CE2 4.3Å |
| 164 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | W143 L150 K160 T161 I162 I166 C167 G168 C169 I171 | W143-A164 HydrophobicContact CE3-CB 4.38Å; W143-A164 HydrophobicContact CH2-CB 3.6Å; W143-A164 HydrophobicContact CZ2-CB 3.9Å; W143-A164 HydrophobicContact CZ3-CB 3.87Å; L150-A164 HydrophobicContact CB-CB 3.92Å; L150-A164 HydrophobicContact CD2-CB 3.87Å; L150-A164 HydrophobicContact CG-CB 4.5Å; K160-A164 WeakPolarHBondContact O-CB 3.46Å; K160-A164 PolarHBondContact O-N 2.96Å; T161-A164 PolarHBondContact O-N 2.86Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.88Å; A164-I166 VanDerWaalsContact C-N 3.29Å; A164-I166 PolarHBondContact O-N 2.73Å; A164-C167 PolarHBondContact O-N 3.11Å; A164-G168 PolarHBondContact O-N 2.71Å; A164-C169 PolarHBondContact O-N 3.13Å; A164-I171 HydrophobicContact CB-CG1 4.45Å |
| 165 | L | 93.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -34.3 | 176.4 | -71.5 | 170.6 | 0 | 0 | 0 | 112.7 | T161 I162 I171 L212 R218 V314 I315 | T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.05Å; I162-L165 HydrophobicContact CD1-CD1 4.5Å; I162-L165 PolarHBondContact O-N 3.39Å; L165-I171 HydrophobicContact CD2-CD1 4.34Å; L165-I171 HydrophobicContact CG-CD1 4.39Å; L165-L212 HydrophobicContact CD1-CD2 3.88Å; L165-L212 HydrophobicContact CD2-CB 4.07Å; L165-L212 HydrophobicContact CD2-CD2 3.97Å; L165-L212 WeakPolarHBondContact CD2-O 3.45Å; L165-R218 WeakPolarHBondContact O-CD 3.42Å; L165-R218 PolarHBondContact O-NH1 2.74Å; L165-V314 HydrophobicContact CB-CG1 4.09Å; L165-I315 HydrophobicContact CD1-CG1 4.36Å |
| 166 | I | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.7 | -52 | 175.6 | -69.1 | 172.8 | 0 | 0 | 0 | 111 | I162 C163 A164 G168 R218 K219 F222 A241 F244 V314 | I162-I166 HydrophobicContact CG2-CD1 3.83Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.02Å; C163-I166 PolarHBondContact O-N 2.62Å; A164-I166 VanDerWaalsContact C-N 3.29Å; A164-I166 PolarHBondContact O-N 2.73Å; I166-G168 PolarHBondContact O-N 3.46Å; I166-G168 VanDerWaalsContact O-N 3.14Å; I166-R218 HydrophobicContact CG1-CB 4.43Å; I166-K219 WeakPolarHBondContact O-CG 3.35Å; I166-F222 HydrophobicContact CD1-CE2 4.37Å; I166-A241 HydrophobicContact CD1-CB 4.28Å; I166-A241 VanDerWaalsContact CD1-O 3.22Å; I166-A241 WeakPolarHBondContact CD1-O 3.49Å; I166-F244 HydrophobicContact CG2-CB 3.66Å; I166-F244 WeakPolarHBondContact CG2-O 3.27Å; I166-V314 HydrophobicContact CD1-CG1 4.28Å; I166-V314 HydrophobicContact CD1-CG2 3.78Å; I166-V314 HydrophobicContact CG1-CG1 3.67Å; I166-V314 HydrophobicContact CG1-CG2 4Å |
| 167 | C | 93.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 13% | 0.128 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.6 | -23.1 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | W143 C163 A164 K219 | W143-C167 HydrophobicContact CZ2-CB 4.29Å; W143-C167 PolarHBondContact NE1-SG 3.26Å; C163-C167 WeakPolarHBondContact O-CB 3.35Å; C163-C167 PolarHBondContact O-N 3.42Å; C163-C167 PolarHBondContact O-SG 3.45Å; A164-C167 PolarHBondContact O-N 3.11Å; C167-K219 VanDerWaalsContact C-CE 3.49Å; C167-K219 WeakPolarHBondContact O-CE 3.48Å; C167-K219 PolarHBondContact O-NZ 2.88Å |
| 168 | G | 92.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 18.3 Ų | 18.3 | 20% | 0.196 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 19 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A164 I166 | A164-G168 PolarHBondContact O-N 2.71Å; I166-G168 PolarHBondContact O-N 3.46Å; I166-G168 VanDerWaalsContact O-N 3.14Å |
| 169 | C | 93.1 | Very high | 94 | Very high | 25 Ų | 25 | 22 Ų | 22 | 17% | 0.169 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 142.6 | -174.5 | -61 | 0 | 0 | 0 | 0 | 111.5 | W143 C147 A164 | W143-C169 HydrophobicContact CH2-CB 3.81Å; W143-C169 HydrophobicContact CZ2-CB 3.84Å; C147-C169 PolarHBondContact O-SG 2.91Å; A164-C169 PolarHBondContact O-N 3.13Å |
| 170 | P | 93.4 | Very high | 94.3 | Very high | 37 Ų | 37 | 22 Ų | 22 | 24% | 0.24 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 142.6 | -178.9 | 27.5 | -36.5 | 0 | 0 | 0 | 113 | T148 L150 V172 I193 | T148-P170 WeakPolarHBondContact O-CD 3.5Å; L150-P170 PolarHBondContact N-O 3.32Å; P170-V172 HydrophobicContact CB-CG1 4.32Å; P170-I193 HydrophobicContact CB-CG2 3.99Å |
| 171 | I | 93.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.4 | 169.7 | -46.8 | 179.1 | 0 | 0 | 0 | 107.8 | L150 M152 V155 T161 A164 L165 Y197 P198 | L150-I171 HydrophobicContact CB-CG1 4.29Å; L150-I171 HydrophobicContact CB-CG2 4.33Å; L150-I171 HydrophobicContact CD2-CD1 4.26Å; L150-I171 HydrophobicContact CD2-CG1 4.15Å; L150-I171 HydrophobicContact CD2-CG2 4.14Å; L150-I171 HydrophobicContact CG-CG2 4.27Å; L150-I171 CarbonylContact O-C 3.59Å; L150-I171 WeakPolarHBondContact O-CA 3.18Å; M152-I171 HydrophobicContact CB-CG2 4.47Å; M152-I171 HydrophobicContact CG-CG2 4.16Å; M152-I171 HydrophobicContact SD-CG2 4.23Å; V155-I171 HydrophobicContact CG2-CG2 4.44Å; T161-I171 HydrophobicContact CG2-CD1 3.93Å; A164-I171 HydrophobicContact CB-CG1 4.45Å; L165-I171 HydrophobicContact CD2-CD1 4.34Å; L165-I171 HydrophobicContact CG-CD1 4.39Å; I171-Y197 WeakPolarHBondContact O-CD1 3.45Å; I171-P198 HydrophobicContact CG2-CG 3.91Å; I171-P198 WeakPolarHBondContact O-CD 3.32Å |
| 172 | V | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.8 | -173.6 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | L150 V151 M152 P170 Y176 F177 I193 | L150-V172 PolarHBondContact O-N 3.36Å; V151-V172 VanDerWaalsContact CA-O 3.31Å; V151-V172 WeakPolarHBondContact CA-O 3.48Å; V151-V172 HydrophobicContact CG2-CG2 4.08Å; M152-V172 PolarHBondContact N-O 2.84Å; P170-V172 HydrophobicContact CB-CG1 4.32Å; V172-Y176 HydrophobicContact CB-CG 4.46Å; V172-Y176 HydrophobicContact CG2-CD1 4.02Å; V172-Y176 HydrophobicContact CG2-CG 4.4Å; V172-F177 HydrophobicContact CG2-CE2 3.86Å; V172-I193 HydrophobicContact CG1-CG2 3.86Å |
| 173 | K | 95 | Very high | 94.6 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | trans | -70.3 | 149.8 | 168.2 | -73.5 | 171.8 | -174.4 | 156.4 | 0 | 111.9 | E175 Y176 F196 Y197 P198 | K173-E175 WeakPolarHBondContact CB-OE2 3.2Å; K173-E175 PolarHBondContact O-N 2.78Å; K173-Y176 VanDerWaalsContact O-CB 3.29Å; K173-Y176 WeakPolarHBondContact O-CB 3.43Å; K173-Y176 PolarHBondContact O-N 2.91Å; K173-Y176 VanDerWaalsContact O-N 3.13Å; K173-F196 WeakPolarHBondContact CB-O 3.38Å; K173-F196 VanDerWaalsContact CG-O 3.28Å; K173-F196 WeakPolarHBondContact CG-O 3.33Å; K173-F196 PolarHBondContact N-O 2.81Å; K173-Y197 WeakPolarHBondContact CE-O 3.18Å; K173-Y197 PolarHBondContact NZ-O 2.95Å; K173-P198 HydrophobicContact CG-CB 3.99Å | ||
| 174 | P | 94.5 | Very high | 94.5 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.8 | 179 | 25.9 | -34.1 | 0 | 0 | 0 | 113.8 | L120 V151 Y176 F177 | L120-P174 HydrophobicContact CD2-CG 4.34Å; V151-P174 VanDerWaalsContact CG1-CA 3.5Å; V151-P174 HydrophobicContact CG1-CB 3.8Å; V151-P174 HydrophobicContact CG1-CG 4.49Å; P174-Y176 PolarHBondContact O-N 2.82Å; P174-F177 PolarHBondContact O-N 3.2Å |
| 175 | E | 95.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 33 Ų | 33 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -24.8 | 175.6 | -66.7 | 73.8 | -163.1 | 0 | 0 | 113 | K173 F177 S178 E179 F196 | K173-E175 WeakPolarHBondContact CB-OE2 3.2Å; K173-E175 PolarHBondContact O-N 2.78Å; E175-F177 PolarHBondContact O-N 2.93Å; E175-S178 WeakPolarHBondContact O-CB 3.41Å; E175-S178 PolarHBondContact O-N 2.79Å; E175-S178 VanDerWaalsContact O-N 3.11Å; E175-E179 PolarHBondContact O-N 2.78Å; E175-F196 HydrophobicContact CB-CD1 4.15Å; E175-F196 HydrophobicContact CB-CE1 3.91Å |
| 176 | Y | 96.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55 | -49.9 | 178.4 | 171.9 | -108.9 | 0 | 0 | 0 | 112 | H149 V172 K173 P174 S178 E179 F180 P191 I193 F196 | H149-Y176 AromaticContact NE2-CE1 3.81Å; V172-Y176 HydrophobicContact CB-CG 4.46Å; V172-Y176 HydrophobicContact CG2-CD1 4.02Å; V172-Y176 HydrophobicContact CG2-CG 4.4Å; K173-Y176 VanDerWaalsContact O-CB 3.29Å; K173-Y176 WeakPolarHBondContact O-CB 3.43Å; K173-Y176 PolarHBondContact O-N 2.91Å; K173-Y176 VanDerWaalsContact O-N 3.13Å; P174-Y176 PolarHBondContact O-N 2.82Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.08Å; Y176-E179 PolarHBondContact O-N 3.29Å; Y176-F180 VanDerWaalsContact O-CB 3.3Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 2.93Å; Y176-P191 HydrophobicContact CD2-CB 4.32Å; Y176-P191 HydrophobicContact CD2-CG 3.83Å; Y176-P191 HydrophobicContact CE2-CB 4.36Å; Y176-P191 HydrophobicContact CE2-CG 3.77Å; Y176-I193 HydrophobicContact CE2-CB 4.5Å; Y176-I193 HydrophobicContact CE2-CG1 3.64Å; Y176-I193 WeakPolarHBondContact OH-CG1 3.49Å; Y176-F196 VanDerWaalsContact CA-CD1 3.47Å; Y176-F196 HydrophobicContact CD2-CB 4.22Å; Y176-F196 AromaticContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CG 4.02Å; Y176-F196 HydrophobicContact CG-CB 4.39Å; Y176-F196 HydrophobicContact CG-CG 4.36Å; Y176-F196 VanDerWaalsContact N-CD1 3.34Å |
| 177 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -29.9 | 179.4 | -70.1 | -79.5 | 0 | 0 | 0 | 112.4 | L113 V115 L128 A131 I132 L135 H149 V151 V172 P174 E175 L181 | L113-F177 HydrophobicContact CD1-CE1 4.13Å; L113-F177 HydrophobicContact CD2-CE1 4.49Å; L113-F177 HydrophobicContact CG-CE1 4.48Å; V115-F177 HydrophobicContact CB-CZ 4.44Å; V115-F177 HydrophobicContact CG1-CE2 3.92Å; V115-F177 HydrophobicContact CG1-CZ 3.92Å; V115-F177 HydrophobicContact CG2-CE1 3.8Å; V115-F177 HydrophobicContact CG2-CE2 4.38Å; V115-F177 HydrophobicContact CG2-CZ 3.58Å; L128-F177 HydrophobicContact CD1-CB 4.07Å; L128-F177 HydrophobicContact CD1-CD2 3.64Å; L128-F177 HydrophobicContact CD1-CE2 4.45Å; L128-F177 HydrophobicContact CD1-CG 4.04Å; A131-F177 HydrophobicContact CB-CB 4.33Å; I132-F177 HydrophobicContact CG1-CD1 4.03Å; I132-F177 HydrophobicContact CG1-CE1 4.4Å; I132-F177 HydrophobicContact CG1-CG 4.22Å; L135-F177 HydrophobicContact CD1-CB 4.45Å; L135-F177 HydrophobicContact CD1-CD1 3.87Å; H149-F177 HydrophobicContact CB-CE2 4.48Å; H149-F177 HydrophobicContact CB-CZ 4.01Å; H149-F177 AromaticContact CG-CZ 3.88Å; V151-F177 HydrophobicContact CG2-CD2 4.1Å; V151-F177 HydrophobicContact CG2-CE2 3.57Å; V172-F177 HydrophobicContact CG2-CE2 3.86Å; P174-F177 PolarHBondContact O-N 3.2Å; E175-F177 PolarHBondContact O-N 2.93Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.76Å |
| 178 | S | 94.5 | Very high | 93.6 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | 175 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | E175 Y176 K182 | E175-S178 WeakPolarHBondContact O-CB 3.41Å; E175-S178 PolarHBondContact O-N 2.79Å; E175-S178 VanDerWaalsContact O-N 3.11Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.08Å; S178-K182 WeakPolarHBondContact O-CD 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.28Å; S178-K182 WeakPolarHBondContact O-CG 3.17Å; S178-K182 PolarHBondContact O-N 2.67Å |
| 179 | E | 96.2 | Very high | 93.4 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -75.8 | -32.7 | 174.6 | -65 | -50.8 | 132.2 | 0 | 0 | 112.3 | E175 Y176 K182 A183 P191 F196 | E175-E179 PolarHBondContact O-N 2.78Å; Y176-E179 PolarHBondContact O-N 3.29Å; E179-K182 PolarHBondContact O-N 2.91Å; E179-K182 IonicContact OE1-NZ 3.88Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CD 3.32Å; E179-K182 IonicContact OE2-NZ 3.62Å; E179-A183 VanDerWaalsContact O-CB 3.32Å; E179-A183 WeakPolarHBondContact O-CB 3.24Å; E179-A183 PolarHBondContact O-N 2.9Å; E179-P191 HydrophobicContact CB-CG 4.31Å; E179-F196 HydrophobicContact CB-CZ 4.06Å; E179-F196 HydrophobicContact CG-CE1 4.19Å; E179-F196 HydrophobicContact CG-CZ 3.89Å |
| 180 | F | 95.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 174.4 | -176.8 | -159.6 | 0 | 0 | 0 | 111.6 | M1 L113 L135 Y176 A183 V184 P190 P191 | M1-F180 HydrophobicContact SD-CE1 4.47Å; M1-F180 HydrophobicContact SD-CE2 4.46Å; M1-F180 HydrophobicContact SD-CZ 3.8Å; L113-F180 HydrophobicContact CD2-CE1 4.48Å; L135-F180 HydrophobicContact CD1-CB 4.49Å; L135-F180 HydrophobicContact CD1-CD1 3.74Å; L135-F180 HydrophobicContact CD1-CE1 4.27Å; L135-F180 HydrophobicContact CD1-CG 4.29Å; L135-F180 HydrophobicContact CD2-CD1 4.03Å; L135-F180 HydrophobicContact CD2-CD2 4.39Å; L135-F180 HydrophobicContact CD2-CE1 4.15Å; L135-F180 HydrophobicContact CD2-CE2 4.49Å; L135-F180 HydrophobicContact CD2-CG 4.15Å; L135-F180 HydrophobicContact CD2-CZ 4.37Å; Y176-F180 VanDerWaalsContact O-CB 3.3Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 2.93Å; F180-A183 PolarHBondContact O-N 2.57Å; F180-V184 HydrophobicContact CD2-CG2 3.87Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.43Å; F180-V184 PolarHBondContact O-N 2.92Å; F180-P190 HydrophobicContact CD2-CB 3.84Å; F180-P190 HydrophobicContact CD2-CG 4.28Å; F180-P190 HydrophobicContact CE2-CB 3.87Å; F180-P190 HydrophobicContact CE2-CG 3.85Å; F180-P191 HydrophobicContact CB-CG 3.91Å |
| 181 | L | 95.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -52.8 | 172.5 | 179.4 | 61.5 | 0 | 0 | 0 | 111.3 | L19 A131 Q134 L135 F177 A183 V184 E185 | L19-L181 HydrophobicContact CD1-CD1 3.94Å; L19-L181 HydrophobicContact CD2-CD1 3.66Å; L19-L181 HydrophobicContact CG-CD1 4.46Å; A131-L181 HydrophobicContact CB-CD2 4.38Å; Q134-L181 HydrophobicContact CB-CD1 3.87Å; Q134-L181 HydrophobicContact CB-CD2 4.31Å; L135-L181 HydrophobicContact CD2-CB 4.45Å; L135-L181 HydrophobicContact CD2-CD1 4.43Å; L135-L181 HydrophobicContact CG-CB 4.46Å; L135-L181 HydrophobicContact CG-CD1 4.43Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.76Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.75Å; L181-V184 PolarHBondContact O-N 2.85Å; L181-V184 VanDerWaalsContact O-N 3.14Å; L181-E185 HydrophobicContact CD1-CG 4.47Å; L181-E185 WeakPolarHBondContact O-CG 3.45Å; L181-E185 PolarHBondContact O-N 3.21Å |
| 182 | K | 95.1 | Very high | 93.1 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 177.4 | -67.9 | 166.9 | -166.4 | 173.1 | 0 | 112.9 | S178 E179 S186 | S178-K182 WeakPolarHBondContact O-CD 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.28Å; S178-K182 WeakPolarHBondContact O-CG 3.17Å; S178-K182 PolarHBondContact O-N 2.67Å; E179-K182 PolarHBondContact O-N 2.91Å; E179-K182 IonicContact OE1-NZ 3.88Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CD 3.32Å; E179-K182 IonicContact OE2-NZ 3.62Å; K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 2.85Å |
| 183 | A | 93.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | E179 F180 L181 S186 K187 K188 Q189 | E179-A183 VanDerWaalsContact O-CB 3.32Å; E179-A183 WeakPolarHBondContact O-CB 3.24Å; E179-A183 PolarHBondContact O-N 2.9Å; F180-A183 PolarHBondContact O-N 2.57Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.75Å; A183-S186 CarbonylContact O-C 3.5Å; A183-S186 PolarHBondContact O-N 2.99Å; A183-K187 PolarHBondContact O-N 3.14Å; A183-K188 HydrophobicContact CB-CB 4.39Å; A183-K188 PolarHBondContact O-N 2.79Å; A183-Q189 WeakPolarHBondContact CB-O 3.42Å |
| 184 | V | 92.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | M1 R17 L19 L135 F180 L181 S186 K187 | M1-V184 HydrophobicContact CE-CG1 4.13Å; M1-V184 HydrophobicContact CE-CG2 4.12Å; R17-V184 HydrophobicContact CB-CG1 3.95Å; R17-V184 HydrophobicContact CB-CG2 4.14Å; L19-V184 HydrophobicContact CD1-CG1 4.26Å; L19-V184 HydrophobicContact CD2-CB 4.19Å; L19-V184 HydrophobicContact CD2-CG1 3.67Å; L19-V184 HydrophobicContact CG-CG1 3.78Å; L135-V184 HydrophobicContact CD2-CG2 4.39Å; F180-V184 HydrophobicContact CD2-CG2 3.87Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.43Å; F180-V184 PolarHBondContact O-N 2.92Å; L181-V184 PolarHBondContact O-N 2.85Å; L181-V184 VanDerWaalsContact O-N 3.14Å; V184-S186 VanDerWaalsContact C-N 3.27Å; V184-S186 PolarHBondContact O-N 2.94Å; V184-K187 PolarHBondContact O-N 2.98Å; V184-K187 VanDerWaalsContact O-N 3.1Å |
| 185 | E | 91.9 | Very high | 92.5 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.4 | -40.5 | 171.9 | -69 | 179.4 | 148.4 | 0 | 0 | 112 | L19 L181 K187 | L19-E185 HydrophobicContact CD1-CG 3.78Å; L181-E185 HydrophobicContact CD1-CG 4.47Å; L181-E185 WeakPolarHBondContact O-CG 3.45Å; L181-E185 PolarHBondContact O-N 3.21Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.39Å |
| 186 | S | 90.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.3 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 114.6 | K182 A183 V184 | K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 2.85Å; A183-S186 CarbonylContact O-C 3.5Å; A183-S186 PolarHBondContact O-N 2.99Å; V184-S186 VanDerWaalsContact C-N 3.27Å; V184-S186 PolarHBondContact O-N 2.94Å |
| 187 | K | 85.9 | Confident | 92.2 | Very high | 150 Ų | 150 | 71.4 Ų | 71.4 | 65% | 0.652 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 51.5 | -168.2 | -54.1 | -177.4 | -171.2 | 179 | 0 | 113.2 | A32 A183 V184 E185 | A32-K187 PolarHBondContact O-NZ 2.76Å; A183-K187 PolarHBondContact O-N 3.14Å; V184-K187 PolarHBondContact O-N 2.98Å; V184-K187 VanDerWaalsContact O-N 3.1Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.39Å |
| 188 | K | 88.2 | Confident | 91.9 | Very high | 132 Ų | 132 | 72.1 Ų | 72.1 | 57% | 0.574 | 36% | 0.357 | S | S | * | . | trans | -114.9 | 165.9 | 175.5 | -66 | 172.2 | -177 | 161.8 | 0 | 110.5 | A183 | A183-K188 HydrophobicContact CB-CB 4.39Å; A183-K188 PolarHBondContact O-N 2.79Å | ||
| 189 | Q | 87.3 | Confident | 91.6 | Very high | 133 Ų | 133 | 74.2 Ų | 74.2 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 146.4 | 168.8 | -62.5 | -176.2 | 0.3 | 0 | 0 | 111.1 | E14 A183 | E14-Q189 VanDerWaalsContact OE1-CG 3.24Å; E14-Q189 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q189 PolarHBondContact OE1-NE2 3.27Å; A183-Q189 WeakPolarHBondContact CB-O 3.42Å |
| 190 | P | 89.4 | Confident | 91.1 | Very high | 43 Ų | 43 | 74.4 Ų | 74.4 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 156.1 | 175.1 | -21.5 | 33.4 | 0 | 0 | 0 | 112.5 | R17 F180 | R17-P190 VanDerWaalsContact CZ-CG 3.45Å; F180-P190 HydrophobicContact CD2-CB 3.84Å; F180-P190 HydrophobicContact CD2-CG 4.28Å; F180-P190 HydrophobicContact CE2-CB 3.87Å; F180-P190 HydrophobicContact CE2-CG 3.85Å |
| 191 | P | 93.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 145.6 | 170.2 | 24 | -32.1 | 0 | 0 | 0 | 112.5 | Y176 E179 F180 I193 F196 | Y176-P191 HydrophobicContact CD2-CB 4.32Å; Y176-P191 HydrophobicContact CD2-CG 3.83Å; Y176-P191 HydrophobicContact CE2-CB 4.36Å; Y176-P191 HydrophobicContact CE2-CG 3.77Å; E179-P191 HydrophobicContact CB-CG 4.31Å; F180-P191 HydrophobicContact CB-CG 3.91Å; P191-I193 PolarHBondContact O-N 3.02Å; P191-F196 HydrophobicContact CB-CD2 4.2Å; P191-F196 HydrophobicContact CB-CE2 3.53Å; P191-F196 HydrophobicContact CB-CZ 4.21Å; P191-F196 HydrophobicContact CG-CE2 4.42Å |
| 192 | E | 91.9 | Very high | 89.5 | Confident | 152 Ų | 152 | 77.5 Ų | 77.5 | 71% | 0.71 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 119 | 173.5 | -66.4 | 175 | 167.7 | 0 | 0 | 110.4 | E194 S195 | E192-E194 PolarHBondContact O-N 2.78Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E192-S195 PolarHBondContact O-N 3.35Å; E192-S195 VanDerWaalsContact O-N 3.07Å; E192-S195 PolarHBondContact O-OG 3.02Å |
| 193 | I | 91.4 | Very high | 88.4 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 28% | 0.282 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -51.2 | -40.6 | -176.4 | -70.7 | 170.7 | 0 | 0 | 0 | 112.4 | P170 V172 Y176 P191 S195 F196 Y197 | P170-I193 HydrophobicContact CB-CG2 3.99Å; V172-I193 HydrophobicContact CG1-CG2 3.86Å; Y176-I193 HydrophobicContact CE2-CB 4.5Å; Y176-I193 HydrophobicContact CE2-CG1 3.64Å; Y176-I193 WeakPolarHBondContact OH-CG1 3.49Å; P191-I193 PolarHBondContact O-N 3.02Å; I193-S195 PolarHBondContact O-N 3.15Å; I193-F196 PolarHBondContact O-N 3.15Å; I193-Y197 HydrophobicContact CG2-CE1 3.82Å |
| 194 | E | 89.9 | Confident | 87.2 | Confident | 150 Ų | 150 | 78.8 Ų | 78.8 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -59.5 | -33.6 | -177.4 | -59.2 | -176.6 | -170.3 | 0 | 0 | 113.1 | E192 F196 Y197 | E192-E194 PolarHBondContact O-N 2.78Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 3.27Å; E194-Y197 HydrophobicContact CB-CD2 4.36Å; E194-Y197 HydrophobicContact CB-CE2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.92Å; E194-Y197 WeakPolarHBondContact O-CD2 3.41Å; E194-Y197 PolarHBondContact O-N 2.98Å |
| 195 | S | 91.8 | Very high | 86.1 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -69.6 | -14.2 | 177.6 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | E192 I193 | E192-S195 PolarHBondContact O-N 3.35Å; E192-S195 VanDerWaalsContact O-N 3.07Å; E192-S195 PolarHBondContact O-OG 3.02Å; I193-S195 PolarHBondContact O-N 3.15Å |
| 196 | F | 93.9 | Very high | 84.5 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 14% | 0.136 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -108.3 | 12.9 | -179.6 | -69.7 | -92.3 | 0 | 0 | 0 | 114 | K173 E175 Y176 E179 P191 I193 E194 | K173-F196 WeakPolarHBondContact CB-O 3.38Å; K173-F196 VanDerWaalsContact CG-O 3.28Å; K173-F196 WeakPolarHBondContact CG-O 3.33Å; K173-F196 PolarHBondContact N-O 2.81Å; E175-F196 HydrophobicContact CB-CD1 4.15Å; E175-F196 HydrophobicContact CB-CE1 3.91Å; Y176-F196 VanDerWaalsContact CA-CD1 3.47Å; Y176-F196 HydrophobicContact CD2-CB 4.22Å; Y176-F196 AromaticContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CG 4.02Å; Y176-F196 HydrophobicContact CG-CB 4.39Å; Y176-F196 HydrophobicContact CG-CG 4.36Å; Y176-F196 VanDerWaalsContact N-CD1 3.34Å; E179-F196 HydrophobicContact CB-CZ 4.06Å; E179-F196 HydrophobicContact CG-CE1 4.19Å; E179-F196 HydrophobicContact CG-CZ 3.89Å; P191-F196 HydrophobicContact CB-CD2 4.2Å; P191-F196 HydrophobicContact CB-CE2 3.53Å; P191-F196 HydrophobicContact CB-CZ 4.21Å; P191-F196 HydrophobicContact CG-CE2 4.42Å; I193-F196 PolarHBondContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 3.27Å |
| 197 | Y | 91.6 | Very high | 82.9 | Confident | 113 Ų | 113 | 78.6 Ų | 78.6 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 130.5 | 174 | -68 | -33.1 | 0 | 0 | 0 | 112 | I171 K173 I193 E194 | I171-Y197 WeakPolarHBondContact O-CD1 3.45Å; K173-Y197 WeakPolarHBondContact CE-O 3.18Å; K173-Y197 PolarHBondContact NZ-O 2.95Å; I193-Y197 HydrophobicContact CG2-CE1 3.82Å; E194-Y197 HydrophobicContact CB-CD2 4.36Å; E194-Y197 HydrophobicContact CB-CE2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.92Å; E194-Y197 WeakPolarHBondContact O-CD2 3.41Å; E194-Y197 PolarHBondContact O-N 2.98Å |
| 198 | P | 90.2 | Very high | 81.7 | Confident | 14 Ų | 14 | 76.6 Ų | 76.6 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 147 | 177.7 | 23.6 | -26.1 | 0 | 0 | 0 | 112.4 | V155 I171 K173 | V155-P198 HydrophobicContact CG2-CB 4.19Å; V155-P198 HydrophobicContact CG2-CG 3.71Å; I171-P198 HydrophobicContact CG2-CG 3.91Å; I171-P198 WeakPolarHBondContact O-CD 3.32Å; K173-P198 HydrophobicContact CG-CB 3.99Å |
| 199 | P | 88.5 | Confident | 80.6 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 148.2 | 173.2 | 30.4 | -35.6 | 0 | 0 | 0 | 110.8 | S154 V155 | S154-P199 CarbonylContact C-O 3.6Å; S154-P199 VanDerWaalsContact CA-O 3.31Å; S154-P199 WeakPolarHBondContact CA-O 3.26Å; S154-P199 WeakPolarHBondContact CB-O 3.39Å; V155-P199 PolarHBondContact N-O 3.43Å |
| 200 | I | 85.1 | Confident | 80.1 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -79.3 | 125.3 | 176 | -51.8 | 178.8 | 0 | 0 | 0 | 109.2 | E202 V210 L212 | I200-E202 HydrophobicContact CG2-CB 4.11Å; I200-V210 HydrophobicContact CD1-CB 4.03Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I200-L212 HydrophobicContact CD1-CD1 3.58Å; I200-L212 HydrophobicContact CD1-CG 4.28Å; I200-L212 HydrophobicContact CG1-CD1 3.74Å |
| 201 | D | 80 | Confident | 79.8 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 39% | 0.39 | 41% | 0.413 | S | S | . | . | trans | -128.1 | 49.8 | -178 | -179.1 | 34.5 | 0 | 0 | 0 | 109.4 | S154 V155 K156 | S154-D201 WeakPolarHBondContact OG-CB 3.46Å; S154-D201 PolarHBondContact OG-OD2 3.4Å; V155-D201 CarbonylContact O-C 3.52Å; V155-D201 PolarHBondContact O-N 2.7Å; K156-D201 WeakPolarHBondContact CE-OD2 3.43Å; K156-D201 IonicContact NZ-OD2 3.77Å; K156-D201 PolarHBondContact NZ-OD2 2.81Å | ||
| 202 | E | 77 | Confident | 79.3 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | trans | -119 | 99.3 | -176.8 | -177.6 | 55.5 | -102.3 | 0 | 0 | 111.1 | V157 I200 A204 I205 | V157-E202 HydrophobicContact CG2-CB 4.45Å; V157-E202 HydrophobicContact CG2-CG 3.83Å; V157-E202 PolarHBondContact N-OE2 2.91Å; I200-E202 HydrophobicContact CG2-CB 4.11Å; E202-A204 HydrophobicContact CG-CB 4.4Å; E202-A204 PolarHBondContact O-N 3.05Å; E202-A204 WeakPolarHBondContact OE1-CB 3.46Å; E202-A204 PolarHBondContact OE1-N 3.49Å; E202-A204 VanDerWaalsContact OE1-N 3.15Å; E202-I205 HydrophobicContact CB-CD1 4.02Å; E202-I205 HydrophobicContact CB-CG1 4.35Å; E202-I205 HydrophobicContact CG-CD1 3.72Å; E202-I205 HydrophobicContact CG-CG1 3.65Å | ||
| 203 | P | 72.3 | Confident | 78.8 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.8 | 177.2 | -25.5 | 35.4 | 0 | 0 | 0 | 114 | ||
| 204 | A | 67.9 | Low | 78.4 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 19% | 0.19 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -16 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E202 L333 F742 | E202-A204 HydrophobicContact CG-CB 4.4Å; E202-A204 PolarHBondContact O-N 3.05Å; E202-A204 WeakPolarHBondContact OE1-CB 3.46Å; E202-A204 PolarHBondContact OE1-N 3.49Å; E202-A204 VanDerWaalsContact OE1-N 3.15Å; A204-L333 WeakPolarHBondContact O-CD1 3.39Å; A204-L333 WeakPolarHBondContact O-CD2 3.47Å; A204-F742 HydrophobicContact CB-CB 3.66Å; A204-F742 HydrophobicContact CB-CD1 3.34Å; A204-F742 HydrophobicContact CB-CE1 4.25Å; A204-F742 HydrophobicContact CB-CG 3.7Å |
| 205 | I | 69.2 | Low | 78.2 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -19.9 | 173.1 | -46.2 | 162.5 | 0 | 0 | 0 | 111 | V157 E202 V210 I315 F316 | V157-I205 HydrophobicContact CG2-CD1 3.83Å; E202-I205 HydrophobicContact CB-CD1 4.02Å; E202-I205 HydrophobicContact CB-CG1 4.35Å; E202-I205 HydrophobicContact CG-CD1 3.72Å; E202-I205 HydrophobicContact CG-CG1 3.65Å; I205-V210 HydrophobicContact CB-CG2 4.18Å; I205-V210 HydrophobicContact CD1-CG1 4.39Å; I205-V210 HydrophobicContact CD1-CG2 4.06Å; I205-V210 HydrophobicContact CG2-CG2 3.49Å; I205-V210 VanDerWaalsContact CG2-CG2 3.49Å; I205-I315 HydrophobicContact CD1-CD1 3.93Å; I205-I315 HydrophobicContact CD1-CG2 4.4Å; I205-I315 HydrophobicContact CG1-CD1 4.33Å; I205-I315 HydrophobicContact CG2-CG2 4.4Å; I205-F316 HydrophobicContact CG2-CE1 4.46Å; I205-F316 HydrophobicContact CG2-CE2 3.97Å; I205-F316 HydrophobicContact CG2-CZ 3.55Å |
| 206 | G | 59.5 | Low | 78 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -169.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | K208 | G206-K208 PolarHBondContact O-N 2.73Š|
| 207 | S | 56.2 | Low | 77.9 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 95% | 0.951 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 24 | -178 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 208 | K | 60.6 | Low | 78 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 47% | 0.47 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -75.2 | 136.6 | 170.4 | -67.9 | -177.3 | 178.8 | -178.8 | 0 | 107.8 | G206 V210 F316 E332 | G206-K208 PolarHBondContact O-N 2.73Å; K208-V210 WeakPolarHBondContact O-CG2 3.43Å; K208-V210 PolarHBondContact O-N 2.88Å; K208-F316 HydrophobicContact CD-CE1 4.28Å; K208-F316 HydrophobicContact CD-CZ 4.29Å; K208-E332 IonicContact NZ-OE2 2.73Å; K208-E332 PolarHBondContact NZ-OE2 2.91Å |
| 209 | S | 65 | Low | 78.2 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 90% | 0.895 | 40% | 0.397 | S | S | * | . | trans | -69.8 | 103.3 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 210 | V | 77.8 | Confident | 78.5 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | trans | -82.5 | 129.1 | -175.2 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | I200 I205 K208 L212 I315 | I200-V210 HydrophobicContact CD1-CB 4.03Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I205-V210 HydrophobicContact CB-CG2 4.18Å; I205-V210 HydrophobicContact CD1-CG1 4.39Å; I205-V210 HydrophobicContact CD1-CG2 4.06Å; I205-V210 HydrophobicContact CG2-CG2 3.49Å; I205-V210 VanDerWaalsContact CG2-CG2 3.49Å; K208-V210 WeakPolarHBondContact O-CG2 3.43Å; K208-V210 PolarHBondContact O-N 2.88Å; V210-L212 HydrophobicContact CB-CG 4.39Å; V210-L212 HydrophobicContact CG1-CD2 3.73Å; V210-L212 HydrophobicContact CG1-CG 4.04Å; V210-L212 PolarHBondContact O-N 2.92Å; V210-I315 HydrophobicContact CG1-CG2 3.58Å | ||
| 211 | D | 82.5 | Confident | 79 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | trans | -85.7 | 99.9 | 170.8 | -169.7 | -12.6 | 0 | 0 | 0 | 110.4 | S213 R215 R218 | D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 2.9Å; D211-S213 PolarHBondContact OD1-OG 3.06Å; D211-R215 IonicContact OD2-CZ 2.74Å; D211-R215 VanDerWaalsContact OD2-CZ 3.22Å; D211-R215 IonicContact OD2-NE 2.62Å; D211-R215 PolarHBondContact OD2-NE 3.46Å; D211-R215 IonicContact OD2-NH2 3.46Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å; D211-R218 PolarHBondContact O-NH2 2.88Å | ||
| 212 | L | 82.4 | Confident | 79.8 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | trans | -96.9 | 10.4 | 175.2 | -60 | 179 | 0 | 0 | 0 | 113.1 | V155 L165 I200 V210 | V155-L212 HydrophobicContact CB-CD1 4.32Å; V155-L212 HydrophobicContact CG1-CD1 3.97Å; V155-L212 HydrophobicContact CG2-CD1 4.07Å; L165-L212 HydrophobicContact CD1-CD2 3.88Å; L165-L212 HydrophobicContact CD2-CB 4.07Å; L165-L212 HydrophobicContact CD2-CD2 3.97Å; L165-L212 WeakPolarHBondContact CD2-O 3.45Å; I200-L212 HydrophobicContact CD1-CD1 3.58Å; I200-L212 HydrophobicContact CD1-CG 4.28Å; I200-L212 HydrophobicContact CG1-CD1 3.74Å; V210-L212 HydrophobicContact CB-CG 4.39Å; V210-L212 HydrophobicContact CG1-CD2 3.73Å; V210-L212 HydrophobicContact CG1-CG 4.04Å; V210-L212 PolarHBondContact O-N 2.92Å | ||
| 213 | S | 82.4 | Confident | 80.7 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -69 | 160.6 | 177 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | D211 R215 R218 | D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 2.9Å; D211-S213 PolarHBondContact OD1-OG 3.06Å; S213-R215 PolarHBondContact O-N 2.85Å; S213-R215 VanDerWaalsContact O-N 3.14Å; S213-R218 VanDerWaalsContact O-CZ 3.3Å; S213-R218 PolarHBondContact O-NH1 2.77Å; S213-R218 PolarHBondContact O-NH2 3.46Å |
| 214 | G | 82.6 | Confident | 81.8 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | trans | -73.6 | 99.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 215 | R | 86.4 | Confident | 83.1 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 33% | 0.328 | 38% | 0.381 | S | S | . | . | trans | -110.7 | 121.5 | -178.3 | -77.9 | -177.7 | 175.9 | -99.7 | 7.7 | 111.6 | D211 S213 E217 R218 M317 | D211-R215 IonicContact OD2-CZ 2.74Å; D211-R215 VanDerWaalsContact OD2-CZ 3.22Å; D211-R215 IonicContact OD2-NE 2.62Å; D211-R215 PolarHBondContact OD2-NE 3.46Å; D211-R215 IonicContact OD2-NH2 3.46Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å; S213-R215 PolarHBondContact O-N 2.85Å; S213-R215 VanDerWaalsContact O-N 3.14Å; R215-E217 WeakPolarHBondContact CA-OE2 3.4Å; R215-E217 WeakPolarHBondContact CB-OE2 3.31Å; R215-E217 IonicContact CZ-OE1 3.39Å; R215-E217 IonicContact NH1-OE1 3.72Å; R215-E217 PolarHBondContact NH1-OE1 3.32Å; R215-E217 PolarHBondContact O-N 3.24Å; R215-R218 HydrophobicContact CB-CG 4.24Å; R215-R218 PolarHBondContact O-N 3.36Å; R215-M317 HydrophobicContact CB-CE 4.33Å; R215-M317 HydrophobicContact CB-SD 4.45Å; R215-M317 WeakPolarHBondContact CD-SD 3.34Å | ||
| 216 | Q | 88 | Confident | 84.3 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -70.1 | -23 | -176.6 | -58.9 | -55.2 | -58.5 | 0 | 0 | 112.3 | R218 K219 | Q216-R218 PolarHBondContact O-N 3Å; Q216-K219 WeakPolarHBondContact O-CB 3.19Å; Q216-K219 PolarHBondContact O-N 3.27Å |
| 217 | E | 91.8 | Very high | 86.1 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -54.6 | -31.8 | 173 | -49 | 93.3 | 105 | 0 | 0 | 111.8 | R215 K219 Q220 M317 | R215-E217 WeakPolarHBondContact CA-OE2 3.4Å; R215-E217 WeakPolarHBondContact CB-OE2 3.31Å; R215-E217 IonicContact CZ-OE1 3.39Å; R215-E217 IonicContact NH1-OE1 3.72Å; R215-E217 PolarHBondContact NH1-OE1 3.32Å; R215-E217 PolarHBondContact O-N 3.24Å; E217-K219 PolarHBondContact O-N 3.22Å; E217-Q220 PolarHBondContact O-N 3.14Å; E217-M317 HydrophobicContact CB-CE 3.59Å; E217-M317 HydrophobicContact CG-CE 4.13Å |
| 218 | R | 93.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -67 | -20 | 179.4 | -57.7 | -155.3 | -160 | 87.4 | 1.4 | 113.6 | L165 I166 D211 S213 R215 Q216 Q220 I221 V314 M317 | L165-R218 WeakPolarHBondContact O-CD 3.42Å; L165-R218 PolarHBondContact O-NH1 2.74Å; I166-R218 HydrophobicContact CG1-CB 4.43Å; D211-R218 PolarHBondContact O-NH2 2.88Å; S213-R218 VanDerWaalsContact O-CZ 3.3Å; S213-R218 PolarHBondContact O-NH1 2.77Å; S213-R218 PolarHBondContact O-NH2 3.46Å; R215-R218 HydrophobicContact CB-CG 4.24Å; R215-R218 PolarHBondContact O-N 3.36Å; Q216-R218 PolarHBondContact O-N 3Å; R218-Q220 PolarHBondContact O-N 3.38Å; R218-I221 WeakPolarHBondContact O-CG2 3.45Å; R218-I221 PolarHBondContact O-N 2.79Å; R218-V314 VanDerWaalsContact CD-O 3.27Å; R218-V314 WeakPolarHBondContact CD-O 3.22Å; R218-V314 PolarHBondContact NE-O 3.12Å; R218-M317 HydrophobicContact CG-CE 4.3Å; R218-M317 HydrophobicContact CG-CG 4.11Å; R218-M317 HydrophobicContact CG-SD 4.25Å |
| 219 | K | 93.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -68.6 | -6.9 | 174.2 | -64.9 | -176.7 | 171.3 | 166.2 | 0 | 114.2 | I166 C167 Q216 E217 G245 G246 | I166-K219 WeakPolarHBondContact O-CG 3.35Å; C167-K219 VanDerWaalsContact C-CE 3.49Å; C167-K219 WeakPolarHBondContact O-CE 3.48Å; C167-K219 PolarHBondContact O-NZ 2.88Å; Q216-K219 WeakPolarHBondContact O-CB 3.19Å; Q216-K219 PolarHBondContact O-N 3.27Å; E217-K219 PolarHBondContact O-N 3.22Å; K219-G245 CarbonylContact C-O 3.47Å; K219-G245 CarbonylContact O-C 3.55Å; K219-G245 VanDerWaalsContact O-C 3.26Å; K219-G246 PolarHBondContact O-N 3.31Å |
| 220 | Q | 95.2 | Very high | 90.5 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -130.1 | 14.1 | -179.5 | -61.4 | -73.2 | -90.8 | 0 | 0 | 112 | E217 R218 F222 K223 G245 | E217-Q220 PolarHBondContact O-N 3.14Å; R218-Q220 PolarHBondContact O-N 3.38Å; Q220-F222 PolarHBondContact O-N 3.05Å; Q220-K223 HydrophobicContact CB-CB 4.36Å; Q220-K223 WeakPolarHBondContact O-CB 3.33Å; Q220-K223 PolarHBondContact O-N 2.8Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q220-G245 CarbonylContact C-O 3.57Å; Q220-G245 VanDerWaalsContact CA-O 3.27Å; Q220-G245 WeakPolarHBondContact CA-O 2.97Å |
| 221 | I | 95.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.4 | -176.3 | -171.9 | 55.9 | 0 | 0 | 0 | 113.6 | R218 G245 V314 T319 | R218-I221 WeakPolarHBondContact O-CG2 3.45Å; R218-I221 PolarHBondContact O-N 2.79Å; I221-G245 PolarHBondContact N-O 3.47Å; I221-G245 VanDerWaalsContact N-O 3.1Å; I221-V314 HydrophobicContact CG2-CG2 4.06Å; I221-T319 HydrophobicContact CD1-CG2 4.07Å; I221-T319 HydrophobicContact CG1-CG2 4.01Å; I221-T319 WeakPolarHBondContact O-CG2 3.36Å; I221-T319 PolarHBondContact O-OG1 2.78Å |
| 222 | F | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.3 | 179.2 | -59 | -51.3 | 0 | 0 | 0 | 113.2 | I166 Q220 G224 K225 F227 I242 G245 G247 I310 A313 V314 T319 | I166-F222 HydrophobicContact CD1-CE2 4.37Å; Q220-F222 PolarHBondContact O-N 3.05Å; F222-G224 PolarHBondContact O-N 3.39Å; F222-K225 WeakPolarHBondContact O-CB 3.46Å; F222-K225 PolarHBondContact O-N 3.3Å; F222-F227 HydrophobicContact CB-CE2 4.04Å; F222-F227 AromaticContact CD1-CE2 3.55Å; F222-F227 HydrophobicContact CD1-CE2 3.55Å; F222-F227 AromaticContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CE1-CE2 4.16Å; F222-F227 AromaticContact CE1-CZ 3.76Å; F222-F227 HydrophobicContact CE1-CZ 3.76Å; F222-F227 AromaticContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CZ 4.29Å; F222-I242 HydrophobicContact CD2-CG1 4.42Å; F222-I242 HydrophobicContact CE2-CG1 4.43Å; F222-G245 PolarHBondContact N-O 3.04Å; F222-G247 VanDerWaalsContact O-CA 3.24Å; F222-G247 WeakPolarHBondContact O-CA 3.26Å; F222-I310 HydrophobicContact CE1-CG2 4.41Å; F222-I310 HydrophobicContact CE2-CG2 4.13Å; F222-I310 HydrophobicContact CZ-CG2 3.62Å; F222-A313 HydrophobicContact CE1-CB 3.91Å; F222-A313 HydrophobicContact CZ-CB 4.35Å; F222-V314 HydrophobicContact CE2-CG2 3.86Å; F222-V314 HydrophobicContact CZ-CG2 3.67Å; F222-T319 HydrophobicContact CD1-CG2 3.85Å; F222-T319 HydrophobicContact CE1-CG2 3.96Å |
| 223 | K | 95.9 | Very high | 91.1 | Very high | 143 Ų | 143 | 52.8 Ų | 52.8 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 122.8 | -179.1 | -172.9 | 177.2 | -162.7 | 148.1 | 0 | 111.7 | Q220 G246 | Q220-K223 HydrophobicContact CB-CB 4.36Å; Q220-K223 WeakPolarHBondContact O-CB 3.33Å; Q220-K223 PolarHBondContact O-N 2.8Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; K223-G246 WeakPolarHBondContact CA-O 3.2Å |
| 224 | G | 94 | Very high | 91.2 | Very high | 66 Ų | 66 | 51 Ų | 51 | 68% | 0.68 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 20.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F222 | F222-G224 PolarHBondContact O-N 3.39Š|
| 225 | K | 95.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | trans | -117.1 | 140.4 | 168.3 | -60.3 | -163.2 | 174.7 | -156.4 | 0 | 111 | F222 F227 G247 E248 G267 T319 C323 | F222-K225 WeakPolarHBondContact O-CB 3.46Å; F222-K225 PolarHBondContact O-N 3.3Å; K225-F227 HydrophobicContact CB-CD2 4.42Å; K225-F227 HydrophobicContact CB-CE2 3.93Å; K225-G247 WeakPolarHBondContact O-CA 3.36Å; K225-E248 PolarHBondContact O-N 3.27Å; K225-G267 WeakPolarHBondContact CA-O 3.35Å; K225-T319 PolarHBondContact NZ-O 3.48Å; K225-C323 PolarHBondContact NZ-O 2.95Å | ||
| 226 | T | 95.9 | Very high | 91.7 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.4 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | E248 F262 G267 T268 C269 | T226-E248 WeakPolarHBondContact CA-O 3.44Å; T226-E248 HydrophobicContact CG2-CB 4Å; T226-E248 HydrophobicContact CG2-CG 3.93Å; T226-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T226-E248 PolarHBondContact OG1-OE2 2.86Å; T226-F262 HydrophobicContact CG2-CZ 3.99Å; T226-G267 PolarHBondContact N-O 3.04Å; T226-G267 VanDerWaalsContact N-O 3.1Å; T226-T268 WeakPolarHBondContact O-CA 3.45Å; T226-C269 PolarHBondContact O-N 2.95Å |
| 227 | F | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.7 | -179.7 | -75 | -96.9 | 0 | 0 | 0 | 110.4 | F222 K225 F229 I242 E248 R250 C269 V271 I310 C323 | F222-F227 HydrophobicContact CB-CE2 4.04Å; F222-F227 AromaticContact CD1-CE2 3.55Å; F222-F227 HydrophobicContact CD1-CE2 3.55Å; F222-F227 AromaticContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CE1-CE2 4.16Å; F222-F227 AromaticContact CE1-CZ 3.76Å; F222-F227 HydrophobicContact CE1-CZ 3.76Å; F222-F227 AromaticContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CZ 4.29Å; K225-F227 HydrophobicContact CB-CD2 4.42Å; K225-F227 HydrophobicContact CB-CE2 3.93Å; F227-F229 HydrophobicContact CB-CE2 3.94Å; F227-F229 HydrophobicContact CB-CZ 4.47Å; F227-I242 HydrophobicContact CB-CD1 3.64Å; F227-I242 HydrophobicContact CB-CG1 4.4Å; F227-I242 HydrophobicContact CB-CG2 4.28Å; F227-I242 HydrophobicContact CD1-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CB 4.43Å; F227-I242 HydrophobicContact CD2-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CG1 3.98Å; F227-I242 HydrophobicContact CD2-CG2 3.57Å; F227-I242 HydrophobicContact CE2-CG1 4.39Å; F227-I242 HydrophobicContact CE2-CG2 4.27Å; F227-I242 HydrophobicContact CG-CD1 3.7Å; F227-I242 HydrophobicContact CG-CG1 4.06Å; F227-I242 HydrophobicContact CG-CG2 4.19Å; F227-E248 PolarHBondContact N-O 2.85Å; F227-R250 PolarHBondContact O-N 2.82Å; F227-C269 WeakPolarHBondContact CA-O 3.49Å; F227-C269 HydrophobicContact CD1-CB 3.89Å; F227-C269 HydrophobicContact CE1-CB 3.99Å; F227-C269 HydrophobicContact CG-CB 4.28Å; F227-C269 HydrophobicContact CZ-CB 4.45Å; F227-V271 HydrophobicContact CB-CG2 4.44Å; F227-V271 HydrophobicContact CD1-CG2 3.98Å; F227-I310 HydrophobicContact CD1-CD1 4.27Å; F227-I310 HydrophobicContact CE1-CD1 4.32Å; F227-I310 HydrophobicContact CE1-CG1 4.05Å; F227-C323 HydrophobicContact CE1-CB 3.98Å; F227-C323 HydrophobicContact CZ-CB 3.81Å |
| 228 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.7 | -176.4 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | L230 M252 F262 F263 T268 C269 V270 V271 | V228-L230 HydrophobicContact CG1-CD2 4.16Å; V228-M252 HydrophobicContact CG1-CE 3.89Å; V228-M252 HydrophobicContact CG1-CG 4.02Å; V228-M252 HydrophobicContact CG1-SD 3.35Å; V228-M252 WeakPolarHBondContact CG1-SD 3.47Å; V228-M252 HydrophobicContact CG2-CE 4.41Å; V228-F262 HydrophobicContact CG2-CE1 3.73Å; V228-F262 HydrophobicContact CG2-CZ 4.24Å; V228-F263 HydrophobicContact CG1-CE1 4.27Å; V228-T268 HydrophobicContact CG2-CG2 3.72Å; V228-C269 PolarHBondContact N-O 3.04Å; V228-V270 HydrophobicContact CB-CG2 4.15Å; V228-V270 HydrophobicContact CG1-CG2 4.39Å; V228-V271 PolarHBondContact O-N 2.99Å |
| 229 | F | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.3 | 178.6 | -68.4 | -86.8 | 0 | 0 | 0 | 110.6 | F227 N231 Q234 H235 L238 I242 A249 R250 L251 M252 V271 | F227-F229 HydrophobicContact CB-CE2 3.94Å; F227-F229 HydrophobicContact CB-CZ 4.47Å; F229-N231 VanDerWaalsContact C-N 3.33Å; F229-Q234 HydrophobicContact CD1-CB 3.89Å; F229-Q234 HydrophobicContact CE1-CB 4.23Å; F229-H235 HydrophobicContact CB-CB 3.8Å; F229-H235 HydrophobicContact CD1-CB 4.38Å; F229-H235 HydrophobicContact CD2-CB 4.26Å; F229-H235 AromaticContact CD2-CD2 3.62Å; F229-H235 HydrophobicContact CG-CB 3.89Å; F229-L238 HydrophobicContact CE1-CB 3.89Å; F229-L238 HydrophobicContact CE1-CD1 3.63Å; F229-L238 HydrophobicContact CE1-CG 4.4Å; F229-L238 HydrophobicContact CZ-CB 3.68Å; F229-L238 HydrophobicContact CZ-CD1 4.21Å; F229-I242 HydrophobicContact CE2-CD1 3.62Å; F229-I242 HydrophobicContact CZ-CD1 3.47Å; F229-I242 VanDerWaalsContact CZ-CD1 3.47Å; F229-A249 HydrophobicContact CE2-CB 4.15Å; F229-R250 PolarHBondContact N-O 3.27Å; F229-L251 HydrophobicContact CB-CD1 4.36Å; F229-M252 PolarHBondContact O-N 3.08Å; F229-V271 HydrophobicContact CD1-CB 4.03Å; F229-V271 HydrophobicContact CD1-CG1 4.23Å; F229-V271 HydrophobicContact CD1-CG2 4.1Å; F229-V271 HydrophobicContact CE1-CB 3.98Å; F229-V271 HydrophobicContact CE1-CG1 3.92Å; F229-V271 HydrophobicContact CE1-CG2 3.72Å; F229-V271 HydrophobicContact CE2-CG2 4.42Å; F229-V271 HydrophobicContact CZ-CG2 3.92Å |
| 230 | L | 88.8 | Confident | 91.4 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -96.9 | 12.8 | 174.2 | -49.8 | -177.6 | 0 | 0 | 0 | 111.8 | V228 M252 V270 I273 W289 I290 I293 M294 | V228-L230 HydrophobicContact CG1-CD2 4.16Å; L230-M252 HydrophobicContact CD2-CB 4.39Å; L230-M252 HydrophobicContact CD2-SD 4.49Å; L230-V270 HydrophobicContact CD1-CG1 4.01Å; L230-V270 HydrophobicContact CD2-CG1 4.49Å; L230-V270 HydrophobicContact CG-CG1 4.17Å; L230-I273 HydrophobicContact CB-CD1 3.68Å; L230-I273 HydrophobicContact CB-CG1 4.21Å; L230-I273 HydrophobicContact CD1-CD1 4.27Å; L230-W289 HydrophobicContact CB-CH2 4.34Å; L230-W289 HydrophobicContact CB-CZ3 3.95Å; L230-W289 HydrophobicContact CD2-CH2 3.59Å; L230-W289 HydrophobicContact CD2-CZ2 4.27Å; L230-W289 HydrophobicContact CD2-CZ3 3.97Å; L230-W289 HydrophobicContact CG-CZ3 4.45Å; L230-I290 HydrophobicContact CB-CG1 4.36Å; L230-I290 HydrophobicContact CD1-CG1 4.34Å; L230-I290 HydrophobicContact CD1-CG2 4.42Å; L230-I293 HydrophobicContact CD1-CB 4.37Å; L230-I293 HydrophobicContact CD1-CD1 4.24Å; L230-I293 HydrophobicContact CD1-CG2 4.06Å; L230-I293 HydrophobicContact CD2-CD1 3.67Å; L230-M294 HydrophobicContact CD1-CE 3.71Å |
| 231 | N | 84.5 | Confident | 91.3 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | trans | -150.5 | 117 | -173.1 | 179.2 | -13.5 | 0 | 0 | 0 | 110.6 | F229 K233 Q234 H235 | F229-N231 VanDerWaalsContact C-N 3.33Å; N231-K233 PolarHBondContact O-N 3.02Å; N231-K233 WeakPolarHBondContact OD1-CB 3.38Å; N231-K233 PolarHBondContact OD1-N 3.34Å; N231-Q234 HydrophobicContact CB-CB 4.35Å; N231-Q234 HydrophobicContact CB-CG 4.47Å; N231-Q234 PolarHBondContact ND2-OE1 2.83Å; N231-Q234 PolarHBondContact O-N 3.46Å; N231-H235 PolarHBondContact O-N 2.91Å | ||
| 232 | A | 86.2 | Confident | 91.3 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 49% | 0.488 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -29.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K236 L251 | A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.48Å; A232-L251 HydrophobicContact CB-CD1 4.3Å; A232-L251 HydrophobicContact CB-CD2 3.89Å |
| 233 | K | 83.7 | Confident | 91.3 | Very high | 157 Ų | 157 | 45.5 Ų | 45.5 | 68% | 0.683 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71.6 | -43.1 | 178.6 | -62.9 | -178.5 | -179.9 | 177.6 | 0 | 111.5 | N231 K237 | N231-K233 PolarHBondContact O-N 3.02Å; N231-K233 WeakPolarHBondContact OD1-CB 3.38Å; N231-K233 PolarHBondContact OD1-N 3.34Å; K233-K237 PolarHBondContact O-N 2.96Å; K233-K237 VanDerWaalsContact O-N 3.12Å |
| 234 | Q | 85.9 | Confident | 91.3 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 174.4 | -73 | 178.9 | -71.6 | 0 | 0 | 111.2 | F229 N231 K236 K237 L238 D272 E307 | F229-Q234 HydrophobicContact CD1-CB 3.89Å; F229-Q234 HydrophobicContact CE1-CB 4.23Å; N231-Q234 HydrophobicContact CB-CB 4.35Å; N231-Q234 HydrophobicContact CB-CG 4.47Å; N231-Q234 PolarHBondContact ND2-OE1 2.83Å; N231-Q234 PolarHBondContact O-N 3.46Å; Q234-K236 PolarHBondContact O-N 2.8Å; Q234-K237 PolarHBondContact O-N 3.24Å; Q234-L238 HydrophobicContact CB-CD1 4.2Å; Q234-L238 WeakPolarHBondContact O-CB 3.37Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.83Å; Q234-D272 PolarHBondContact NE2-O 3.24Å; Q234-E307 PolarHBondContact NE2-OE2 3.05Å; Q234-E307 VanDerWaalsContact NE2-OE2 3.12Å |
| 235 | H | 89.4 | Confident | 91.3 | Very high | 46 Ų | 46 | 37 Ų | 37 | 21% | 0.213 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -52.4 | 173.4 | -178.9 | -112.3 | 0 | 0 | 0 | 111.6 | F229 N231 K237 L238 S239 L251 | F229-H235 HydrophobicContact CB-CB 3.8Å; F229-H235 HydrophobicContact CD1-CB 4.38Å; F229-H235 HydrophobicContact CD2-CB 4.26Å; F229-H235 AromaticContact CD2-CD2 3.62Å; F229-H235 HydrophobicContact CG-CB 3.89Å; N231-H235 PolarHBondContact O-N 2.91Å; H235-K237 PolarHBondContact O-N 3.49Å; H235-L238 PolarHBondContact O-N 3.34Å; H235-S239 WeakPolarHBondContact O-CB 3.32Å; H235-S239 PolarHBondContact O-N 2.88Å; H235-S239 PolarHBondContact O-OG 2.84Å; H235-L251 HydrophobicContact CB-CB 4.29Å; H235-L251 HydrophobicContact CB-CD1 4.14Å |
| 236 | K | 88.8 | Confident | 91.3 | Very high | 181 Ų | 181 | 37 Ų | 37 | 79% | 0.787 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.7 | -31.3 | 179.2 | -175.6 | 174.1 | -179 | 176.1 | 0 | 113.3 | A232 Q234 | A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.48Å; Q234-K236 PolarHBondContact O-N 2.8Å |
| 237 | K | 86.8 | Confident | 91.3 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.6 | -51.5 | 174.3 | -177.6 | -177.6 | 175.5 | -174.4 | 0 | 111.5 | I159 K233 Q234 H235 E307 A738 | I159-K237 HydrophobicContact CB-CG 4.4Å; I159-K237 HydrophobicContact CG1-CG 4.38Å; I159-K237 WeakPolarHBondContact CG1-O 3.19Å; I159-K237 HydrophobicContact CG2-CG 4.27Å; K233-K237 PolarHBondContact O-N 2.96Å; K233-K237 VanDerWaalsContact O-N 3.12Å; Q234-K237 PolarHBondContact O-N 3.24Å; H235-K237 PolarHBondContact O-N 3.49Å; K237-E307 WeakPolarHBondContact CE-OE1 3.49Å; K237-E307 IonicContact NZ-OE1 2.65Å; K237-E307 PolarHBondContact NZ-OE1 3.06Å; K237-A738 WeakPolarHBondContact CE-O 3.24Å; K237-A738 PolarHBondContact NZ-O 3.34Å |
| 238 | L | 90.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -101.1 | -21.5 | -158.7 | -63.5 | 158.3 | 0 | 0 | 0 | 114.9 | I159 F229 Q234 H235 S240 A241 I242 E307 I310 L741 | I159-L238 HydrophobicContact CD1-CD2 3.91Å; F229-L238 HydrophobicContact CE1-CB 3.89Å; F229-L238 HydrophobicContact CE1-CD1 3.63Å; F229-L238 HydrophobicContact CE1-CG 4.4Å; F229-L238 HydrophobicContact CZ-CB 3.68Å; F229-L238 HydrophobicContact CZ-CD1 4.21Å; Q234-L238 HydrophobicContact CB-CD1 4.2Å; Q234-L238 WeakPolarHBondContact O-CB 3.37Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.83Å; H235-L238 PolarHBondContact O-N 3.34Å; L238-S240 VanDerWaalsContact C-N 3.28Å; L238-S240 PolarHBondContact O-N 3.23Å; L238-A241 PolarHBondContact O-N 2.92Å; L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 PolarHBondContact O-N 3.22Å; L238-E307 HydrophobicContact CD1-CB 4.5Å; L238-E307 HydrophobicContact CD1-CG 3.74Å; L238-E307 HydrophobicContact CD2-CG 4.02Å; L238-E307 HydrophobicContact CG-CG 4.5Å; L238-I310 HydrophobicContact CD1-CD1 4.32Å; L238-L741 HydrophobicContact CD2-CD2 3.73Å |
| 239 | S | 92.8 | Very high | 91.4 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.4 | -41 | -174.3 | 60.8 | 0 | 0 | 0 | 0 | 113 | H235 A241 I242 V243 | H235-S239 WeakPolarHBondContact O-CB 3.32Å; H235-S239 PolarHBondContact O-N 2.88Å; H235-S239 PolarHBondContact O-OG 2.84Å; S239-A241 PolarHBondContact O-N 3.32Å; S239-I242 PolarHBondContact O-N 3.14Å; S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 3.09Å |
| 240 | S | 92.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.4 | -51 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | L238 I242 V243 F244 | L238-S240 VanDerWaalsContact C-N 3.28Å; L238-S240 PolarHBondContact O-N 3.23Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 2.97Å; S240-V243 PolarHBondContact O-N 3.15Å; S240-F244 WeakPolarHBondContact O-CB 3.16Å; S240-F244 WeakPolarHBondContact O-CD2 3.08Å; S240-F244 WeakPolarHBondContact O-CG 3.42Å; S240-F244 PolarHBondContact O-N 3.35Å |
| 241 | A | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I159 I162 I166 L238 S239 G245 | I159-A241 HydrophobicContact CD1-CB 3.54Å; I162-A241 HydrophobicContact CG2-CB 3.96Å; I166-A241 HydrophobicContact CD1-CB 4.28Å; I166-A241 VanDerWaalsContact CD1-O 3.22Å; I166-A241 WeakPolarHBondContact CD1-O 3.49Å; L238-A241 PolarHBondContact O-N 2.92Å; S239-A241 PolarHBondContact O-N 3.32Å; A241-G245 PolarHBondContact O-N 2.84Å |
| 242 | I | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 179.1 | -71.2 | 153.7 | 0 | 0 | 0 | 110.6 | F222 F227 F229 L238 S239 S240 G245 G246 G247 E248 A249 I310 | F222-I242 HydrophobicContact CD2-CG1 4.42Å; F222-I242 HydrophobicContact CE2-CG1 4.43Å; F227-I242 HydrophobicContact CB-CD1 3.64Å; F227-I242 HydrophobicContact CB-CG1 4.4Å; F227-I242 HydrophobicContact CB-CG2 4.28Å; F227-I242 HydrophobicContact CD1-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CB 4.43Å; F227-I242 HydrophobicContact CD2-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CG1 3.98Å; F227-I242 HydrophobicContact CD2-CG2 3.57Å; F227-I242 HydrophobicContact CE2-CG1 4.39Å; F227-I242 HydrophobicContact CE2-CG2 4.27Å; F227-I242 HydrophobicContact CG-CD1 3.7Å; F227-I242 HydrophobicContact CG-CG1 4.06Å; F227-I242 HydrophobicContact CG-CG2 4.19Å; F229-I242 HydrophobicContact CE2-CD1 3.62Å; F229-I242 HydrophobicContact CZ-CD1 3.47Å; F229-I242 VanDerWaalsContact CZ-CD1 3.47Å; L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 PolarHBondContact O-N 3.22Å; S239-I242 PolarHBondContact O-N 3.14Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 2.97Å; I242-G245 CarbonylContact O-C 3.56Å; I242-G245 WeakPolarHBondContact O-CA 3.47Å; I242-G245 PolarHBondContact O-N 3.3Å; I242-G246 PolarHBondContact O-N 3.45Å; I242-G247 PolarHBondContact O-N 3Å; I242-E248 WeakPolarHBondContact CG2-O 3.5Å; I242-A249 HydrophobicContact CB-CB 4.27Å; I242-A249 HydrophobicContact CD1-CB 4.42Å; I242-A249 HydrophobicContact CG2-CB 4.05Å; I242-I310 HydrophobicContact CD1-CD1 4.42Å; I242-I310 HydrophobicContact CG1-CG2 4.32Å |
| 243 | V | 95.7 | Very high | 91.2 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | S239 S240 G245 G246 | S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 3.09Å; S240-V243 PolarHBondContact O-N 3.15Å; V243-G245 PolarHBondContact O-N 3.3Å; V243-G246 PolarHBondContact O-N 3.4Å |
| 244 | F | 94.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -29.5 | 174.6 | -57.6 | -32.7 | 0 | 0 | 0 | 112.4 | W143 E145 C163 I166 S240 G246 | W143-F244 AromaticContact CD1-CE2 3.77Å; E145-F244 HydrophobicContact CG-CD1 3.79Å; E145-F244 HydrophobicContact CG-CE1 3.39Å; E145-F244 HydrophobicContact CG-CZ 4.14Å; E145-F244 WeakPolarHBondContact OE1-CD1 3.41Å; E145-F244 WeakPolarHBondContact OE1-CE1 3.32Å; C163-F244 HydrophobicContact CB-CD2 4.09Å; C163-F244 HydrophobicContact CB-CE2 4.3Å; I166-F244 HydrophobicContact CG2-CB 3.66Å; I166-F244 WeakPolarHBondContact CG2-O 3.27Å; S240-F244 WeakPolarHBondContact O-CB 3.16Å; S240-F244 WeakPolarHBondContact O-CD2 3.08Å; S240-F244 WeakPolarHBondContact O-CG 3.42Å; S240-F244 PolarHBondContact O-N 3.35Å; F244-G246 VanDerWaalsContact C-N 3.28Å |
| 245 | G | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 3.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K219 Q220 I221 F222 A241 I242 V243 | K219-G245 CarbonylContact C-O 3.47Å; K219-G245 CarbonylContact O-C 3.55Å; K219-G245 VanDerWaalsContact O-C 3.26Å; Q220-G245 CarbonylContact C-O 3.57Å; Q220-G245 VanDerWaalsContact CA-O 3.27Å; Q220-G245 WeakPolarHBondContact CA-O 2.97Å; I221-G245 PolarHBondContact N-O 3.47Å; I221-G245 VanDerWaalsContact N-O 3.1Å; F222-G245 PolarHBondContact N-O 3.04Å; A241-G245 PolarHBondContact O-N 2.84Å; I242-G245 CarbonylContact O-C 3.56Å; I242-G245 WeakPolarHBondContact O-CA 3.47Å; I242-G245 PolarHBondContact O-N 3.3Å; V243-G245 PolarHBondContact O-N 3.3Å |
| 246 | G | 95.4 | Very high | 88.2 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 14.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K219 K223 I242 V243 F244 | K219-G246 PolarHBondContact O-N 3.31Å; K223-G246 WeakPolarHBondContact CA-O 3.2Å; I242-G246 PolarHBondContact O-N 3.45Å; V243-G246 PolarHBondContact O-N 3.4Å; F244-G246 VanDerWaalsContact C-N 3.28Å |
| 247 | G | 96.1 | Very high | 86.9 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | trans | -100.4 | 167.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F222 K225 I242 | F222-G247 VanDerWaalsContact O-CA 3.24Å; F222-G247 WeakPolarHBondContact O-CA 3.26Å; K225-G247 WeakPolarHBondContact O-CA 3.36Å; I242-G247 PolarHBondContact O-N 3Å | ||
| 248 | E | 96.1 | Very high | 86.2 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.6 | 170.2 | -175.9 | -165.9 | 164.5 | 0 | 0 | 109.6 | K225 T226 F227 I242 R250 | K225-E248 PolarHBondContact O-N 3.27Å; T226-E248 WeakPolarHBondContact CA-O 3.44Å; T226-E248 HydrophobicContact CG2-CB 4Å; T226-E248 HydrophobicContact CG2-CG 3.93Å; T226-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T226-E248 PolarHBondContact OG1-OE2 2.86Å; F227-E248 PolarHBondContact N-O 2.85Å; I242-E248 WeakPolarHBondContact CG2-O 3.5Å; E248-R250 IonicContact OE1-CZ 2.84Å; E248-R250 IonicContact OE1-NE 2.82Å; E248-R250 PolarHBondContact OE1-NE 2.94Å; E248-R250 VanDerWaalsContact OE1-NE 3.07Å; E248-R250 IonicContact OE1-NH2 2.74Å; E248-R250 PolarHBondContact OE1-NH2 3.44Å; E248-R250 IonicContact OE2-NH2 2.79Å |
| 249 | A | 95.5 | Very high | 85.5 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | F229 I242 | F229-A249 HydrophobicContact CE2-CB 4.15Å; I242-A249 HydrophobicContact CB-CB 4.27Å; I242-A249 HydrophobicContact CD1-CB 4.42Å; I242-A249 HydrophobicContact CG2-CB 4.05Å |
| 250 | R | 93 | Very high | 84.8 | Confident | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.1 | -179.2 | -167.4 | -179.9 | -58.9 | -178.3 | 6 | 110.4 | F227 F229 E248 E258 F262 | F227-R250 PolarHBondContact O-N 2.82Å; F229-R250 PolarHBondContact N-O 3.27Å; E248-R250 IonicContact OE1-CZ 2.84Å; E248-R250 IonicContact OE1-NE 2.82Å; E248-R250 PolarHBondContact OE1-NE 2.94Å; E248-R250 VanDerWaalsContact OE1-NE 3.07Å; E248-R250 IonicContact OE1-NH2 2.74Å; E248-R250 PolarHBondContact OE1-NH2 3.44Å; E248-R250 IonicContact OE2-NH2 2.79Å; R250-E258 WeakPolarHBondContact CD-OE1 3.29Å; R250-E258 IonicContact CZ-OE1 2.67Å; R250-E258 IonicContact NH1-OE1 3.06Å; R250-E258 PolarHBondContact NH1-OE1 3.15Å; R250-E258 IonicContact NH1-OE2 3.23Å; R250-E258 PolarHBondContact NH1-OE2 3.31Å; R250-F262 VanDerWaalsContact CZ-CZ 3.5Å |
| 251 | L | 90.9 | Very high | 84.4 | Confident | 65 Ų | 65 | 64 Ų | 64 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131 | 165.4 | 177.5 | 60.4 | 0 | 0 | 0 | 108.8 | F229 A232 H235 | F229-L251 HydrophobicContact CB-CD1 4.36Å; A232-L251 HydrophobicContact CB-CD1 4.3Å; A232-L251 HydrophobicContact CB-CD2 3.89Å; H235-L251 HydrophobicContact CB-CB 4.29Å; H235-L251 HydrophobicContact CB-CD1 4.14Å |
| 252 | M | 85.8 | Confident | 84.1 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | trans | -108.5 | 147.7 | 168.3 | -71.8 | 176.3 | 169.9 | 0 | 0 | 110.7 | V228 F229 L230 E258 F262 F263 W289 | V228-M252 HydrophobicContact CG1-CE 3.89Å; V228-M252 HydrophobicContact CG1-CG 4.02Å; V228-M252 HydrophobicContact CG1-SD 3.35Å; V228-M252 WeakPolarHBondContact CG1-SD 3.47Å; V228-M252 HydrophobicContact CG2-CE 4.41Å; F229-M252 PolarHBondContact O-N 3.08Å; L230-M252 HydrophobicContact CD2-CB 4.39Å; L230-M252 HydrophobicContact CD2-SD 4.49Å; M252-E258 HydrophobicContact CE-CB 4.19Å; M252-E258 HydrophobicContact CE-CG 4.19Å; M252-E258 VanDerWaalsContact CE-OE1 3.25Å; M252-E258 WeakPolarHBondContact CE-OE1 3.47Å; M252-F262 HydrophobicContact CE-CD1 3.62Å; M252-F262 HydrophobicContact CE-CE1 3.44Å; M252-F262 VanDerWaalsContact CE-CE1 3.44Å; M252-F263 HydrophobicContact CE-CE1 3.74Å; M252-F263 HydrophobicContact CE-CE2 4.32Å; M252-F263 HydrophobicContact CE-CZ 3.59Å; M252-F263 HydrophobicContact SD-CE1 3.49Å; M252-F263 WeakPolarHBondContact SD-CE1 3.25Å; M252-F263 HydrophobicContact SD-CZ 3.43Å; M252-F263 WeakPolarHBondContact SD-CZ 3.24Å; M252-W289 HydrophobicContact CB-CH2 3.65Å; M252-W289 HydrophobicContact CB-CZ2 3.84Å | ||
| 253 | A | 77.9 | Confident | 83.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | trans | -121 | 168.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | E255 N256 W289 | A253-E255 PolarHBondContact O-N 3.4Å; A253-E255 VanDerWaalsContact O-N 3.12Å; A253-N256 PolarHBondContact O-N 3.26Å; A253-N256 VanDerWaalsContact O-N 3.08Å; A253-W289 VanDerWaalsContact O-CZ2 3.27Å; A253-W289 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 254 | E | 68.4 | Low | 83 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.3 | -179.9 | -170.7 | 165.1 | -165.8 | 0 | 0 | 113.4 | S285 Q286 W289 | E254-S285 VanDerWaalsContact OE1-C 3.25Å; E254-S285 WeakPolarHBondContact OE1-CB 2.95Å; E254-S285 WeakPolarHBondContact OE2-CB 3.43Å; E254-S285 PolarHBondContact OE2-OG 3.08Å; E254-Q286 PolarHBondContact OE2-N 2.95Å; E254-W289 HydrophobicContact CB-CD2 4.41Å; E254-W289 HydrophobicContact CB-CG 4.33Å; E254-W289 HydrophobicContact CG-CB 4.12Å; E254-W289 HydrophobicContact CG-CG 4.14Å |
| 255 | E | 60.7 | Low | 82.6 | Confident | 182 Ų | 182 | 64.8 Ų | 64.8 | 85% | 0.85 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9 | 178.4 | -57.6 | -178.7 | 164.5 | 0 | 0 | 114.2 | A253 E257 | A253-E255 PolarHBondContact O-N 3.4Å; A253-E255 VanDerWaalsContact O-N 3.12Å; E255-E257 PolarHBondContact O-N 3.02Å |
| 256 | N | 65.9 | Low | 82.2 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -86.1 | 99.9 | -176.6 | -69.4 | 1.8 | 0 | 0 | 0 | 111.3 | A253 E258 | A253-N256 PolarHBondContact O-N 3.26Å; A253-N256 VanDerWaalsContact O-N 3.08Å; N256-E258 VanDerWaalsContact C-N 3.28Å; N256-E258 PolarHBondContact O-N 3.31Å | ||
| 257 | E | 62.5 | Low | 81.9 | Confident | 204 Ų | 204 | 70.4 Ų | 70.4 | 95% | 0.953 | 39% | 0.385 | S | S | * | . | trans | -71.6 | 75.4 | 169.7 | -64.8 | -170.8 | 165.9 | 0 | 0 | 111.7 | E255 | E255-E257 PolarHBondContact O-N 3.02Š| ||
| 258 | E | 72.7 | Confident | 81.7 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | trans | -97.3 | 132.1 | 166.6 | -67.2 | -154.4 | -127.7 | 0 | 0 | 111.5 | R250 M252 N256 F262 F263 | R250-E258 WeakPolarHBondContact CD-OE1 3.29Å; R250-E258 IonicContact CZ-OE1 2.67Å; R250-E258 IonicContact NH1-OE1 3.06Å; R250-E258 PolarHBondContact NH1-OE1 3.15Å; R250-E258 IonicContact NH1-OE2 3.23Å; R250-E258 PolarHBondContact NH1-OE2 3.31Å; M252-E258 HydrophobicContact CE-CB 4.19Å; M252-E258 HydrophobicContact CE-CG 4.19Å; M252-E258 VanDerWaalsContact CE-OE1 3.25Å; M252-E258 WeakPolarHBondContact CE-OE1 3.47Å; N256-E258 VanDerWaalsContact C-N 3.28Å; N256-E258 PolarHBondContact O-N 3.31Å; E258-F262 WeakPolarHBondContact OE2-CD1 3.48Å; E258-F262 VanDerWaalsContact OE2-CG 3.27Å; E258-F262 WeakPolarHBondContact OE2-CG 3.42Å; E258-F263 HydrophobicContact CB-CE2 4.41Å | ||
| 259 | D | 75.3 | Confident | 81.6 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 66% | 0.663 | 36% | 0.364 | S | S | * | . | trans | -58.3 | 150.4 | -179.2 | -79.2 | -39.3 | 0 | 0 | 0 | 113.5 | S261 F262 F263 | D259-S261 WeakPolarHBondContact CB-OG 3.45Å; D259-S261 PolarHBondContact O-N 3.45Å; D259-F262 PolarHBondContact O-N 2.92Å; D259-F263 WeakPolarHBondContact O-CD2 3.48Å | ||
| 260 | E | 78.1 | Confident | 81.5 | Confident | 90 Ų | 90 | 65.5 Ų | 65.5 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.9 | -22.7 | 168.1 | -59.7 | -161 | 137.6 | 0 | 0 | 112.7 | S264 M296 R299 | E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 3.42Å; E260-S264 PolarHBondContact O-OG 3.46Å; E260-M296 HydrophobicContact CB-CG 4.37Å; E260-M296 HydrophobicContact CG-CG 4.1Å; E260-R299 IonicContact OE1-CZ 2.67Å; E260-R299 VanDerWaalsContact OE1-CZ 3.23Å; E260-R299 IonicContact OE1-NH1 2.68Å; E260-R299 PolarHBondContact OE1-NH1 2.68Å; E260-R299 IonicContact OE1-NH2 3.67Å; E260-R299 PolarHBondContact OE1-NH2 3.49Å; E260-R299 IonicContact OE2-NH1 3.54Å; E260-R299 PolarHBondContact OE2-NH1 2.71Å |
| 261 | S | 82.9 | Confident | 81.4 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.8 | -32.1 | 176 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | D259 S264 A265 | D259-S261 WeakPolarHBondContact CB-OG 3.45Å; D259-S261 PolarHBondContact O-N 3.45Å; S261-S264 PolarHBondContact O-N 3.21Å; S261-A265 PolarHBondContact O-N 3.29Å |
| 262 | F | 87 | Confident | 81.3 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.2 | -46.2 | 179.1 | 172.8 | -97.7 | 0 | 0 | 0 | 111.7 | T226 V228 R250 M252 E258 D259 S264 A265 T268 | T226-F262 HydrophobicContact CG2-CZ 3.99Å; V228-F262 HydrophobicContact CG2-CE1 3.73Å; V228-F262 HydrophobicContact CG2-CZ 4.24Å; R250-F262 VanDerWaalsContact CZ-CZ 3.5Å; M252-F262 HydrophobicContact CE-CD1 3.62Å; M252-F262 HydrophobicContact CE-CE1 3.44Å; M252-F262 VanDerWaalsContact CE-CE1 3.44Å; E258-F262 WeakPolarHBondContact OE2-CD1 3.48Å; E258-F262 VanDerWaalsContact OE2-CG 3.27Å; E258-F262 WeakPolarHBondContact OE2-CG 3.42Å; D259-F262 PolarHBondContact O-N 2.92Å; F262-S264 PolarHBondContact O-N 3.07Å; F262-A265 VanDerWaalsContact O-CB 3.22Å; F262-A265 WeakPolarHBondContact O-CB 3.21Å; F262-A265 PolarHBondContact O-N 3.22Å; F262-T268 HydrophobicContact CD1-CG2 4.5Å; F262-T268 HydrophobicContact CE1-CG2 4.04Å; F262-T268 HydrophobicContact CZ-CG2 4.38Å; F262-T268 PolarHBondContact O-OG1 3.25Å |
| 263 | F | 84.1 | Confident | 80.9 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -29.4 | 175.2 | -60 | -88.1 | 0 | 0 | 0 | 112.5 | V228 M252 E258 D259 A265 V270 I293 M296 | V228-F263 HydrophobicContact CG1-CE1 4.27Å; M252-F263 HydrophobicContact CE-CE1 3.74Å; M252-F263 HydrophobicContact CE-CE2 4.32Å; M252-F263 HydrophobicContact CE-CZ 3.59Å; M252-F263 HydrophobicContact SD-CE1 3.49Å; M252-F263 WeakPolarHBondContact SD-CE1 3.25Å; M252-F263 HydrophobicContact SD-CZ 3.43Å; M252-F263 WeakPolarHBondContact SD-CZ 3.24Å; E258-F263 HydrophobicContact CB-CE2 4.41Å; D259-F263 WeakPolarHBondContact O-CD2 3.48Å; F263-A265 VanDerWaalsContact C-N 3.31Å; F263-V270 HydrophobicContact CD1-CG2 3.84Å; F263-V270 HydrophobicContact CE1-CG2 4.44Å; F263-I293 HydrophobicContact CD1-CG2 4.35Å; F263-I293 HydrophobicContact CE1-CD1 4.11Å; F263-I293 HydrophobicContact CE1-CG1 4.43Å; F263-I293 HydrophobicContact CE1-CG2 4.11Å; F263-I293 HydrophobicContact CZ-CD1 4.03Å; F263-I293 HydrophobicContact CZ-CG1 4.35Å; F263-M296 HydrophobicContact CB-CE 3.31Å; F263-M296 HydrophobicContact CB-SD 3.72Å; F263-M296 HydrophobicContact CD1-CE 3.69Å; F263-M296 HydrophobicContact CD2-CE 3.71Å; F263-M296 HydrophobicContact CE1-CE 4.37Å; F263-M296 HydrophobicContact CE2-CE 4.4Å; F263-M296 HydrophobicContact CG-CE 3.29Å; F263-M296 HydrophobicContact CG-SD 4.29Å |
| 264 | S | 84.1 | Confident | 80.4 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.5 | 174.7 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | E260 S261 F262 H300 | E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 3.42Å; E260-S264 PolarHBondContact O-OG 3.46Å; S261-S264 PolarHBondContact O-N 3.21Å; F262-S264 PolarHBondContact O-N 3.07Å; S264-H300 PolarHBondContact OG-CE1 3.33Å; S264-H300 PolarHBondContact OG-ND1 3.02Å |
| 265 | A | 87.6 | Confident | 79.8 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -71.6 | 141.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S261 F262 F263 G267 T268 | S261-A265 PolarHBondContact O-N 3.29Å; F262-A265 VanDerWaalsContact O-CB 3.22Å; F262-A265 WeakPolarHBondContact O-CB 3.21Å; F262-A265 PolarHBondContact O-N 3.22Å; F263-A265 VanDerWaalsContact C-N 3.31Å; A265-G267 PolarHBondContact O-N 2.94Å; A265-G267 VanDerWaalsContact O-N 3.16Å; A265-T268 WeakPolarHBondContact O-CB 3.36Å; A265-T268 PolarHBondContact O-N 3.04Å; A265-T268 VanDerWaalsContact O-N 3.09Å; A265-T268 PolarHBondContact O-OG1 3.2Å |
| 266 | P | 87.3 | Confident | 79.1 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 83% | 0.831 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 119.9 | 177.6 | -24 | 34.3 | 0 | 0 | 0 | 112 | ||
| 267 | G | 87.5 | Confident | 77.8 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.1 | -15.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K225 T226 A265 C269 | K225-G267 WeakPolarHBondContact CA-O 3.35Å; T226-G267 PolarHBondContact N-O 3.04Å; T226-G267 VanDerWaalsContact N-O 3.1Å; A265-G267 PolarHBondContact O-N 2.94Å; A265-G267 VanDerWaalsContact O-N 3.16Å; G267-C269 PolarHBondContact O-N 3.26Å; G267-C269 PolarHBondContact O-SG 2.87Å |
| 268 | T | 93.6 | Very high | 76.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126 | 175 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | T226 V228 F262 A265 | T226-T268 WeakPolarHBondContact O-CA 3.45Å; V228-T268 HydrophobicContact CG2-CG2 3.72Å; F262-T268 HydrophobicContact CD1-CG2 4.5Å; F262-T268 HydrophobicContact CE1-CG2 4.04Å; F262-T268 HydrophobicContact CZ-CG2 4.38Å; F262-T268 PolarHBondContact O-OG1 3.25Å; A265-T268 WeakPolarHBondContact O-CB 3.36Å; A265-T268 PolarHBondContact O-N 3.04Å; A265-T268 VanDerWaalsContact O-N 3.09Å; A265-T268 PolarHBondContact O-OG1 3.2Å |
| 269 | C | 93.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 94.8 | -174.1 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | T226 F227 V228 G267 V271 I305 | T226-C269 PolarHBondContact O-N 2.95Å; F227-C269 WeakPolarHBondContact CA-O 3.49Å; F227-C269 HydrophobicContact CD1-CB 3.89Å; F227-C269 HydrophobicContact CE1-CB 3.99Å; F227-C269 HydrophobicContact CG-CB 4.28Å; F227-C269 HydrophobicContact CZ-CB 4.45Å; V228-C269 PolarHBondContact N-O 3.04Å; G267-C269 PolarHBondContact O-N 3.26Å; G267-C269 PolarHBondContact O-SG 2.87Å; C269-V271 PolarHBondContact O-N 2.99Å; C269-I305 HydrophobicContact CB-CG1 4.12Å |
| 270 | V | 93.1 | Very high | 74.9 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.1 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | V228 L230 F263 I293 M294 L297 P304 I305 | V228-V270 HydrophobicContact CB-CG2 4.15Å; V228-V270 HydrophobicContact CG1-CG2 4.39Å; L230-V270 HydrophobicContact CD1-CG1 4.01Å; L230-V270 HydrophobicContact CD2-CG1 4.49Å; L230-V270 HydrophobicContact CG-CG1 4.17Å; F263-V270 HydrophobicContact CD1-CG2 3.84Å; F263-V270 HydrophobicContact CE1-CG2 4.44Å; V270-I293 HydrophobicContact CG1-CG2 4.26Å; V270-M294 HydrophobicContact CG1-CE 4.02Å; V270-L297 HydrophobicContact CB-CD1 3.77Å; V270-L297 HydrophobicContact CG1-CD1 4.08Å; V270-L297 HydrophobicContact CG2-CD1 3.9Å; V270-L297 HydrophobicContact CG2-CD2 3.99Å; V270-L297 HydrophobicContact CG2-CG 4.46Å; V270-P304 CarbonylContact O-C 3.33Å; V270-P304 WeakPolarHBondContact O-CA 3.43Å; V270-I305 PolarHBondContact O-N 2.8Å |
| 271 | V | 91.7 | Very high | 73.8 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 133.4 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | F227 V228 F229 C269 I305 I310 | F227-V271 HydrophobicContact CB-CG2 4.44Å; F227-V271 HydrophobicContact CD1-CG2 3.98Å; V228-V271 PolarHBondContact O-N 2.99Å; F229-V271 HydrophobicContact CD1-CB 4.03Å; F229-V271 HydrophobicContact CD1-CG1 4.23Å; F229-V271 HydrophobicContact CD1-CG2 4.1Å; F229-V271 HydrophobicContact CE1-CB 3.98Å; F229-V271 HydrophobicContact CE1-CG1 3.92Å; F229-V271 HydrophobicContact CE1-CG2 3.72Å; F229-V271 HydrophobicContact CE2-CG2 4.42Å; F229-V271 HydrophobicContact CZ-CG2 3.92Å; C269-V271 PolarHBondContact O-N 2.99Å; V271-I305 WeakPolarHBondContact CA-O 3.06Å; V271-I310 HydrophobicContact CG1-CD1 4.5Å; V271-I310 HydrophobicContact CG2-CD1 4.28Å |
| 272 | D | 87.8 | Confident | 73 | Confident | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.3 | 175.4 | -176.6 | 14.4 | 0 | 0 | 0 | 111.2 | Q234 G274 P304 I305 | Q234-D272 PolarHBondContact NE2-O 3.24Å; D272-G274 PolarHBondContact OD1-N 3.38Å; D272-P304 HydrophobicContact CB-CB 4.16Å; D272-I305 PolarHBondContact N-O 2.81Å |
| 273 | I | 78.2 | Confident | 72.4 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | trans | -84.3 | -17.4 | 178.6 | -51.9 | 173.3 | 0 | 0 | 0 | 111.2 | L230 I275 I280 I282 I290 | L230-I273 HydrophobicContact CB-CD1 3.68Å; L230-I273 HydrophobicContact CB-CG1 4.21Å; L230-I273 HydrophobicContact CD1-CD1 4.27Å; I273-I275 HydrophobicContact CB-CG1 4.04Å; I273-I275 HydrophobicContact CG2-CG1 4.43Å; I273-I280 HydrophobicContact CG2-CD1 4.02Å; I273-I282 HydrophobicContact CG2-CD1 4.32Å; I273-I290 HydrophobicContact CD1-CB 4.29Å; I273-I290 HydrophobicContact CD1-CD1 3.37Å; I273-I290 HydrophobicContact CD1-CG1 3.59Å; I273-I290 HydrophobicContact CD1-CG2 3.65Å | ||
| 274 | G | 67.1 | Low | 72 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | trans | 66.6 | 53.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D272 T276 Y744 | D272-G274 PolarHBondContact OD1-N 3.38Å; G274-T276 PolarHBondContact O-N 3.29Å; G274-Y744 PolarHBondContact O-OH 2.88Å | ||
| 275 | I | 55.8 | Low | 71.7 | Confident | 78 Ų | 78 | 66 Ų | 66 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -3.6 | -170.1 | -41.9 | 176.7 | 0 | 0 | 0 | 112.9 | I273 N277 I290 | I273-I275 HydrophobicContact CB-CG1 4.04Å; I273-I275 HydrophobicContact CG2-CG1 4.43Å; I275-N277 VanDerWaalsContact C-N 3.29Å; I275-N277 PolarHBondContact O-N 3.07Å; I275-N277 VanDerWaalsContact O-N 3.08Å; I275-I290 HydrophobicContact CD1-CG2 3.68Å |
| 276 | T | 46.6 | Very low | 71.3 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7.7 | -165.4 | 72.6 | 0 | 0 | 0 | 0 | 116.9 | G274 Y744 | G274-T276 PolarHBondContact O-N 3.29Å; T276-Y744 PolarHBondContact OG1-OH 2.9Å |
| 277 | N | 37.7 | Very low | 71 | Confident | 115 Ų | 115 | 65.5 Ų | 65.5 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -154.2 | 99.5 | 173.4 | -97 | -61.4 | 0 | 0 | 0 | 114.8 | I275 Q279 | I275-N277 VanDerWaalsContact C-N 3.29Å; I275-N277 PolarHBondContact O-N 3.07Å; I275-N277 VanDerWaalsContact O-N 3.08Å; N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.15Å |
| 278 | T | 44.1 | Very low | 70.8 | Confident | 134 Ų | 134 | 68.6 Ų | 68.6 | 82% | 0.822 | 37% | 0.373 | S | S | * | . | S | Bend | 49.8 | -2.4 | 129 | 56.8 | 0 | 0 | 0 | 0 | 122.9 | |||
| 279 | Q | 49.6 | Very low | 70.3 | Confident | 184 Ų | 184 | 70 Ų | 70 | 86% | 0.86 | 38% | 0.377 | S | S | * | . | trans | -107 | -5.7 | -177.3 | -69 | -167.4 | -31.6 | 0 | 0 | 115.2 | N277 | N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.15Å | ||
| 280 | I | 55.2 | Low | 69.9 | Low | 71 Ų | 71 | 70.1 Ų | 70.1 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | trans | -101.5 | 116.8 | 175.8 | -39.4 | 179.5 | 0 | 0 | 0 | 109 | I273 I282 | I273-I280 HydrophobicContact CG2-CD1 4.02Å; I280-I282 HydrophobicContact CB-CD1 4Å; I280-I282 HydrophobicContact CB-CG1 3.85Å; I280-I282 HydrophobicContact CD1-CD1 4.48Å; I280-I282 HydrophobicContact CG2-CD1 3.83Å; I280-I282 HydrophobicContact CG2-CG1 3.42Å; I280-I282 VanDerWaalsContact CG2-CG1 3.42Å; I280-I282 PolarHBondContact O-N 3.42Å; I280-I282 VanDerWaalsContact O-N 3.17Å | ||
| 281 | I | 56 | Low | 69.6 | Low | 175 Ų | 175 | 75 Ų | 75 | 90% | 0.897 | 40% | 0.401 | S | S | * | . | trans | -74.1 | 102.4 | 166.2 | -55.4 | 175.4 | 0 | 0 | 0 | 106.4 | ||||
| 282 | I | 66 | Low | 69.4 | Low | 24 Ų | 24 | 80.1 Ų | 80.1 | 12% | 0.123 | 43% | 0.427 | C | S | . | . | trans | -118.3 | 140.3 | 175.9 | -55.3 | -179.8 | 0 | 0 | 0 | 106.3 | I273 I280 Q286 K287 I290 | I273-I282 HydrophobicContact CG2-CD1 4.32Å; I280-I282 HydrophobicContact CB-CD1 4Å; I280-I282 HydrophobicContact CB-CG1 3.85Å; I280-I282 HydrophobicContact CD1-CD1 4.48Å; I280-I282 HydrophobicContact CG2-CD1 3.83Å; I280-I282 HydrophobicContact CG2-CG1 3.42Å; I280-I282 VanDerWaalsContact CG2-CG1 3.42Å; I280-I282 PolarHBondContact O-N 3.42Å; I280-I282 VanDerWaalsContact O-N 3.17Å; I282-Q286 HydrophobicContact CG2-CB 3.49Å; I282-Q286 VanDerWaalsContact CG2-CB 3.49Å; I282-K287 HydrophobicContact CB-CG 4.22Å; I282-K287 HydrophobicContact CG2-CG 3.88Å; I282-K287 WeakPolarHBondContact O-CE 3.36Å; I282-K287 PolarHBondContact O-NZ 2.75Å; I282-I290 HydrophobicContact CG2-CD1 4.23Å | ||
| 283 | T | 74.8 | Confident | 69.4 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | trans | -67.2 | 157.2 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | S285 Q286 K287 | T283-S285 PolarHBondContact O-N 2.93Å; T283-S285 PolarHBondContact OG1-OG 3.07Å; T283-Q286 PolarHBondContact O-N 2.77Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.37Å; T283-Q286 VanDerWaalsContact OG1-CD 3.27Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.15Å; T283-Q286 PolarHBondContact OG1-N 3.12Å; T283-Q286 VanDerWaalsContact OG1-N 3.14Å; T283-Q286 PolarHBondContact OG1-OE1 3.44Å; T283-K287 WeakPolarHBondContact O-CG 3.43Å; T283-K287 PolarHBondContact O-N 2.79Å | ||
| 284 | D | 75.3 | Confident | 69.9 | Low | 117 Ų | 117 | 79.5 Ų | 79.5 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.9 | -21.4 | 177.7 | -64.9 | -42.8 | 0 | 0 | 0 | 112.7 | K287 T288 | D284-K287 WeakPolarHBondContact OD1-CD 3.47Å; D284-K287 IonicContact OD1-NZ 3.77Å; D284-K287 PolarHBondContact OD1-NZ 2.97Å; D284-T288 PolarHBondContact O-N 3.15Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.4Å |
| 285 | S | 78.2 | Confident | 70.9 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.7 | -56.2 | 170.1 | 74.5 | 0 | 0 | 0 | 0 | 110.7 | E254 T283 K287 T288 W289 | E254-S285 VanDerWaalsContact OE1-C 3.25Å; E254-S285 WeakPolarHBondContact OE1-CB 2.95Å; E254-S285 WeakPolarHBondContact OE2-CB 3.43Å; E254-S285 PolarHBondContact OE2-OG 3.08Å; T283-S285 PolarHBondContact O-N 2.93Å; T283-S285 PolarHBondContact OG1-OG 3.07Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 2.88Å; S285-T288 WeakPolarHBondContact O-CA 3.45Å; S285-T288 VanDerWaalsContact O-CB 3.32Å; S285-T288 WeakPolarHBondContact O-CB 3.08Å; S285-T288 PolarHBondContact O-N 3.17Å; S285-W289 PolarHBondContact O-N 3.41Å |
| 286 | Q | 77.8 | Confident | 72.5 | Confident | 81 Ų | 81 | 80 Ų | 80 | 38% | 0.379 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.7 | -43.9 | 175.3 | -74 | 165.6 | -2.7 | 0 | 0 | 111.7 | E254 I282 T283 T288 W289 I290 | E254-Q286 PolarHBondContact OE2-N 2.95Å; I282-Q286 HydrophobicContact CG2-CB 3.49Å; I282-Q286 VanDerWaalsContact CG2-CB 3.49Å; T283-Q286 PolarHBondContact O-N 2.77Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.37Å; T283-Q286 VanDerWaalsContact OG1-CD 3.27Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.15Å; T283-Q286 PolarHBondContact OG1-N 3.12Å; T283-Q286 VanDerWaalsContact OG1-N 3.14Å; T283-Q286 PolarHBondContact OG1-OE1 3.44Å; Q286-T288 VanDerWaalsContact C-N 3.3Å; Q286-T288 PolarHBondContact O-N 2.79Å; Q286-W289 PolarHBondContact O-N 3.12Å; Q286-I290 WeakPolarHBondContact O-CB 3.35Å; Q286-I290 VanDerWaalsContact O-CD1 3.25Å; Q286-I290 WeakPolarHBondContact O-CD1 3.31Å; Q286-I290 WeakPolarHBondContact O-CG1 3.15Å; Q286-I290 PolarHBondContact O-N 3.21Å |
| 287 | K | 81.1 | Confident | 74.5 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.2 | -72.4 | 169.4 | -154.2 | 147.1 | 0 | 111.9 | I282 T283 D284 S285 I290 H291 | I282-K287 HydrophobicContact CB-CG 4.22Å; I282-K287 HydrophobicContact CG2-CG 3.88Å; I282-K287 WeakPolarHBondContact O-CE 3.36Å; I282-K287 PolarHBondContact O-NZ 2.75Å; T283-K287 WeakPolarHBondContact O-CG 3.43Å; T283-K287 PolarHBondContact O-N 2.79Å; D284-K287 WeakPolarHBondContact OD1-CD 3.47Å; D284-K287 IonicContact OD1-NZ 3.77Å; D284-K287 PolarHBondContact OD1-NZ 2.97Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 2.88Å; K287-I290 PolarHBondContact O-N 2.78Å; K287-H291 PolarHBondContact O-N 3.17Å; K287-H291 VanDerWaalsContact O-N 3.09Å; K287-H291 PolarHBondContact O-ND1 3.39Å |
| 288 | T | 83.1 | Confident | 76.9 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | D284 S285 Q286 I290 H291 L292 | D284-T288 PolarHBondContact O-N 3.15Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.4Å; S285-T288 WeakPolarHBondContact O-CA 3.45Å; S285-T288 VanDerWaalsContact O-CB 3.32Å; S285-T288 WeakPolarHBondContact O-CB 3.08Å; S285-T288 PolarHBondContact O-N 3.17Å; Q286-T288 VanDerWaalsContact C-N 3.3Å; Q286-T288 PolarHBondContact O-N 2.79Å; T288-I290 PolarHBondContact O-N 3.09Å; T288-H291 PolarHBondContact O-N 3.15Å; T288-H291 VanDerWaalsContact O-N 3.15Å; T288-L292 WeakPolarHBondContact O-CG 3.3Å; T288-L292 PolarHBondContact O-N 3.1Å |
| 289 | W | 83.6 | Confident | 79.1 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 174.7 | 175.6 | 79.1 | 0 | 0 | 0 | 113 | L230 M252 A253 E254 S285 Q286 H291 L292 I293 | L230-W289 HydrophobicContact CB-CH2 4.34Å; L230-W289 HydrophobicContact CB-CZ3 3.95Å; L230-W289 HydrophobicContact CD2-CH2 3.59Å; L230-W289 HydrophobicContact CD2-CZ2 4.27Å; L230-W289 HydrophobicContact CD2-CZ3 3.97Å; L230-W289 HydrophobicContact CG-CZ3 4.45Å; M252-W289 HydrophobicContact CB-CH2 3.65Å; M252-W289 HydrophobicContact CB-CZ2 3.84Å; A253-W289 VanDerWaalsContact O-CZ2 3.27Å; A253-W289 WeakPolarHBondContact O-CZ2 3.37Å; E254-W289 HydrophobicContact CB-CD2 4.41Å; E254-W289 HydrophobicContact CB-CG 4.33Å; E254-W289 HydrophobicContact CG-CB 4.12Å; E254-W289 HydrophobicContact CG-CG 4.14Å; S285-W289 PolarHBondContact O-N 3.41Å; Q286-W289 PolarHBondContact O-N 3.12Å; W289-H291 PolarHBondContact O-N 3.13Å; W289-L292 PolarHBondContact O-N 3.18Å; W289-I293 HydrophobicContact CD2-CD1 4.08Å; W289-I293 HydrophobicContact CH2-CD1 4.11Å; W289-I293 HydrophobicContact CZ2-CD1 3.6Å; W289-I293 PolarHBondContact O-N 2.92Å; W289-I293 VanDerWaalsContact O-N 3.1Å |
| 290 | I | 86.2 | Confident | 80.8 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.2 | -69.4 | 157.6 | 0 | 0 | 0 | 111.4 | L230 I273 I275 I282 Q286 K287 T288 I293 M294 | L230-I290 HydrophobicContact CB-CG1 4.36Å; L230-I290 HydrophobicContact CD1-CG1 4.34Å; L230-I290 HydrophobicContact CD1-CG2 4.42Å; I273-I290 HydrophobicContact CD1-CB 4.29Å; I273-I290 HydrophobicContact CD1-CD1 3.37Å; I273-I290 HydrophobicContact CD1-CG1 3.59Å; I273-I290 HydrophobicContact CD1-CG2 3.65Å; I275-I290 HydrophobicContact CD1-CG2 3.68Å; I282-I290 HydrophobicContact CG2-CD1 4.23Å; Q286-I290 WeakPolarHBondContact O-CB 3.35Å; Q286-I290 VanDerWaalsContact O-CD1 3.25Å; Q286-I290 WeakPolarHBondContact O-CD1 3.31Å; Q286-I290 WeakPolarHBondContact O-CG1 3.15Å; Q286-I290 PolarHBondContact O-N 3.21Å; K287-I290 PolarHBondContact O-N 2.78Å; T288-I290 PolarHBondContact O-N 3.09Å; I290-I293 PolarHBondContact O-N 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.4Å; I290-M294 PolarHBondContact O-N 3.06Å |
| 291 | H | 86.3 | Confident | 82.3 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.8 | -75.5 | 80 | 0 | 0 | 0 | 111.8 | K287 T288 W289 I293 M294 D295 | K287-H291 PolarHBondContact O-N 3.17Å; K287-H291 VanDerWaalsContact O-N 3.09Å; K287-H291 PolarHBondContact O-ND1 3.39Å; T288-H291 PolarHBondContact O-N 3.15Å; T288-H291 VanDerWaalsContact O-N 3.15Å; W289-H291 PolarHBondContact O-N 3.13Å; H291-I293 VanDerWaalsContact C-N 3.31Å; H291-I293 PolarHBondContact O-N 2.88Å; H291-M294 PolarHBondContact O-N 2.83Å; H291-M294 VanDerWaalsContact O-N 3.17Å; H291-D295 WeakPolarHBondContact O-CB 3.45Å; H291-D295 PolarHBondContact O-N 3.44Å |
| 292 | L | 87.8 | Confident | 84 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.2 | -40.9 | 175.4 | -68.4 | 171.9 | 0 | 0 | 0 | 112.1 | T288 W289 M296 | T288-L292 WeakPolarHBondContact O-CG 3.3Å; T288-L292 PolarHBondContact O-N 3.1Å; W289-L292 PolarHBondContact O-N 3.18Å; L292-M296 VanDerWaalsContact O-CB 3.25Å; L292-M296 WeakPolarHBondContact O-CB 3.09Å; L292-M296 PolarHBondContact O-N 3.38Å |
| 293 | I | 88.1 | Confident | 85.2 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 175.1 | -68.6 | 174.4 | 0 | 0 | 0 | 111.2 | L230 F263 V270 W289 I290 H291 M296 L297 | L230-I293 HydrophobicContact CD1-CB 4.37Å; L230-I293 HydrophobicContact CD1-CD1 4.24Å; L230-I293 HydrophobicContact CD1-CG2 4.06Å; L230-I293 HydrophobicContact CD2-CD1 3.67Å; F263-I293 HydrophobicContact CD1-CG2 4.35Å; F263-I293 HydrophobicContact CE1-CD1 4.11Å; F263-I293 HydrophobicContact CE1-CG1 4.43Å; F263-I293 HydrophobicContact CE1-CG2 4.11Å; F263-I293 HydrophobicContact CZ-CD1 4.03Å; F263-I293 HydrophobicContact CZ-CG1 4.35Å; V270-I293 HydrophobicContact CG1-CG2 4.26Å; W289-I293 HydrophobicContact CD2-CD1 4.08Å; W289-I293 HydrophobicContact CH2-CD1 4.11Å; W289-I293 HydrophobicContact CZ2-CD1 3.6Å; W289-I293 PolarHBondContact O-N 2.92Å; W289-I293 VanDerWaalsContact O-N 3.1Å; I290-I293 PolarHBondContact O-N 3.27Å; H291-I293 VanDerWaalsContact C-N 3.31Å; H291-I293 PolarHBondContact O-N 2.88Å; I293-M296 HydrophobicContact CB-CE 4.47Å; I293-M296 HydrophobicContact CG2-CE 3.95Å; I293-M296 PolarHBondContact O-N 3.2Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 3.31Å |
| 294 | M | 88.7 | Confident | 85.9 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 178.4 | -64.2 | -62 | 147.5 | 0 | 0 | 112.5 | L230 V270 I290 H291 M296 L297 Q298 P304 | L230-M294 HydrophobicContact CD1-CE 3.71Å; V270-M294 HydrophobicContact CG1-CE 4.02Å; I290-M294 WeakPolarHBondContact O-CG 3.4Å; I290-M294 PolarHBondContact O-N 3.06Å; H291-M294 PolarHBondContact O-N 2.83Å; H291-M294 VanDerWaalsContact O-N 3.17Å; M294-M296 VanDerWaalsContact C-N 3.33Å; M294-M296 PolarHBondContact O-N 3.26Å; M294-L297 HydrophobicContact CE-CD1 4.49Å; M294-L297 PolarHBondContact O-N 2.99Å; M294-L297 HydrophobicContact SD-CD1 4.11Å; M294-Q298 WeakPolarHBondContact O-CB 3.49Å; M294-Q298 PolarHBondContact O-N 3.49Å; M294-P304 HydrophobicContact CE-CB 4.18Å; M294-P304 HydrophobicContact SD-CB 3.81Å; M294-P304 HydrophobicContact SD-CG 3.79Å |
| 295 | D | 87.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.5 | -78.4 | -3.7 | 0 | 0 | 0 | 111.8 | H291 R299 | H291-D295 WeakPolarHBondContact O-CB 3.45Å; H291-D295 PolarHBondContact O-N 3.44Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.12Å |
| 296 | M | 88.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 172.6 | 172.9 | -78.2 | -62.5 | 0 | 0 | 111.4 | E260 F263 L292 I293 M294 Q298 R299 H300 | E260-M296 HydrophobicContact CB-CG 4.37Å; E260-M296 HydrophobicContact CG-CG 4.1Å; F263-M296 HydrophobicContact CB-CE 3.31Å; F263-M296 HydrophobicContact CB-SD 3.72Å; F263-M296 HydrophobicContact CD1-CE 3.69Å; F263-M296 HydrophobicContact CD2-CE 3.71Å; F263-M296 HydrophobicContact CE1-CE 4.37Å; F263-M296 HydrophobicContact CE2-CE 4.4Å; F263-M296 HydrophobicContact CG-CE 3.29Å; F263-M296 HydrophobicContact CG-SD 4.29Å; L292-M296 VanDerWaalsContact O-CB 3.25Å; L292-M296 WeakPolarHBondContact O-CB 3.09Å; L292-M296 PolarHBondContact O-N 3.38Å; I293-M296 HydrophobicContact CB-CE 4.47Å; I293-M296 HydrophobicContact CG2-CE 3.95Å; I293-M296 PolarHBondContact O-N 3.2Å; M294-M296 VanDerWaalsContact C-N 3.33Å; M294-M296 PolarHBondContact O-N 3.26Å; M296-Q298 VanDerWaalsContact C-N 3.27Å; M296-Q298 PolarHBondContact O-N 3.2Å; M296-R299 WeakPolarHBondContact O-CB 3.39Å; M296-R299 PolarHBondContact O-N 3Å; M296-R299 VanDerWaalsContact O-N 3.1Å; M296-H300 PolarHBondContact O-CD2 2.78Å; M296-H300 VanDerWaalsContact O-CD2 3.29Å; M296-H300 PolarHBondContact O-N 3.06Å; M296-H300 VanDerWaalsContact O-N 3.08Å |
| 297 | L | 89.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 175.7 | -69.6 | 169.2 | 0 | 0 | 0 | 110.8 | V270 I293 M294 R299 H300 G301 L302 | V270-L297 HydrophobicContact CB-CD1 3.77Å; V270-L297 HydrophobicContact CG1-CD1 4.08Å; V270-L297 HydrophobicContact CG2-CD1 3.9Å; V270-L297 HydrophobicContact CG2-CD2 3.99Å; V270-L297 HydrophobicContact CG2-CG 4.46Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 3.31Å; M294-L297 HydrophobicContact CE-CD1 4.49Å; M294-L297 PolarHBondContact O-N 2.99Å; M294-L297 HydrophobicContact SD-CD1 4.11Å; L297-R299 PolarHBondContact O-N 2.89Å; L297-H300 CarbonylContact O-C 3.49Å; L297-H300 PolarHBondContact O-N 3.25Å; L297-H300 VanDerWaalsContact O-N 3.11Å; L297-G301 PolarHBondContact O-N 3.41Å; L297-G301 VanDerWaalsContact O-N 3.12Å; L297-L302 CarbonylContact C-O 3.54Å; L297-L302 HydrophobicContact CB-CB 4.22Å; L297-L302 HydrophobicContact CD2-CB 3.95Å; L297-L302 HydrophobicContact CD2-CD1 4.05Å; L297-L302 PolarHBondContact O-N 3.26Å |
| 298 | Q | 88.8 | Confident | 88.1 | Confident | 149 Ų | 149 | 55.3 Ų | 55.3 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 177.8 | -173.9 | 173.3 | -17.8 | 0 | 0 | 112.7 | M294 M296 H300 G301 | M294-Q298 WeakPolarHBondContact O-CB 3.49Å; M294-Q298 PolarHBondContact O-N 3.49Å; M296-Q298 VanDerWaalsContact C-N 3.27Å; M296-Q298 PolarHBondContact O-N 3.2Å; Q298-H300 VanDerWaalsContact C-N 3.29Å; Q298-H300 PolarHBondContact O-N 2.84Å; Q298-G301 PolarHBondContact O-N 2.93Å; Q298-G301 VanDerWaalsContact O-N 3.15Å |
| 299 | R | 88.4 | Confident | 88.5 | Confident | 155 Ų | 155 | 52 Ų | 52 | 59% | 0.585 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.3 | -38.6 | 171.9 | -81.9 | -175.2 | -75.2 | 131.8 | -13 | 112.4 | E260 D295 M296 L297 G301 | E260-R299 IonicContact OE1-CZ 2.67Å; E260-R299 VanDerWaalsContact OE1-CZ 3.23Å; E260-R299 IonicContact OE1-NH1 2.68Å; E260-R299 PolarHBondContact OE1-NH1 2.68Å; E260-R299 IonicContact OE1-NH2 3.67Å; E260-R299 PolarHBondContact OE1-NH2 3.49Å; E260-R299 IonicContact OE2-NH1 3.54Å; E260-R299 PolarHBondContact OE2-NH1 2.71Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.12Å; M296-R299 WeakPolarHBondContact O-CB 3.39Å; M296-R299 PolarHBondContact O-N 3Å; M296-R299 VanDerWaalsContact O-N 3.1Å; L297-R299 PolarHBondContact O-N 2.89Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 3.13Å |
| 300 | H | 86.3 | Confident | 88.9 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.9 | 178 | -74.1 | -84 | 0 | 0 | 0 | 114 | S264 M296 L297 Q298 L302 | S264-H300 PolarHBondContact OG-CE1 3.33Å; S264-H300 PolarHBondContact OG-ND1 3.02Å; M296-H300 PolarHBondContact O-CD2 2.78Å; M296-H300 VanDerWaalsContact O-CD2 3.29Å; M296-H300 PolarHBondContact O-N 3.06Å; M296-H300 VanDerWaalsContact O-N 3.08Å; L297-H300 CarbonylContact O-C 3.49Å; L297-H300 PolarHBondContact O-N 3.25Å; L297-H300 VanDerWaalsContact O-N 3.11Å; Q298-H300 VanDerWaalsContact C-N 3.29Å; Q298-H300 PolarHBondContact O-N 2.84Å; H300-L302 HydrophobicContact CB-CD1 4.23Å; H300-L302 HydrophobicContact CB-CG 4.14Å; H300-L302 PolarHBondContact O-N 3.23Å |
| 301 | G | 87.3 | Confident | 89.1 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 16.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L297 Q298 R299 | L297-G301 PolarHBondContact O-N 3.41Å; L297-G301 VanDerWaalsContact O-N 3.12Å; Q298-G301 PolarHBondContact O-N 2.93Å; Q298-G301 VanDerWaalsContact O-N 3.15Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 3.13Å |
| 302 | L | 90.8 | Very high | 89.3 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | trans | -93.8 | 153.4 | 177.5 | -57.2 | 178.2 | 0 | 0 | 0 | 110.6 | L297 H300 P325 Q326 | L297-L302 CarbonylContact C-O 3.54Å; L297-L302 HydrophobicContact CB-CB 4.22Å; L297-L302 HydrophobicContact CD2-CB 3.95Å; L297-L302 HydrophobicContact CD2-CD1 4.05Å; L297-L302 PolarHBondContact O-N 3.26Å; H300-L302 HydrophobicContact CB-CD1 4.23Å; H300-L302 HydrophobicContact CB-CG 4.14Å; H300-L302 PolarHBondContact O-N 3.23Å; L302-P325 CarbonylContact C-O 3.57Å; L302-P325 VanDerWaalsContact CA-O 3.31Å; L302-P325 WeakPolarHBondContact CA-O 3.33Å; L302-P325 HydrophobicContact CD2-CB 4.32Å; L302-Q326 HydrophobicContact CD2-CG 3.59Å | ||
| 303 | R | 90.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | trans | -115.3 | 152 | 171.5 | 69.1 | 172.7 | -175.4 | 97 | -6.2 | 112 | E309 N324 P325 G327 | R303-E309 IonicContact CZ-OE1 3.36Å; R303-E309 VanDerWaalsContact CZ-OE1 3.3Å; R303-E309 IonicContact CZ-OE2 3.21Å; R303-E309 IonicContact NH1-OE1 3.8Å; R303-E309 PolarHBondContact NH1-OE1 3.01Å; R303-E309 IonicContact NH1-OE2 2.72Å; R303-E309 VanDerWaalsContact NH2-CD 3.34Å; R303-E309 IonicContact NH2-OE1 2.76Å; R303-E309 PolarHBondContact NH2-OE1 3.23Å; R303-E309 IonicContact NH2-OE2 3.4Å; R303-E309 PolarHBondContact NH2-OE2 2.91Å; R303-N324 PolarHBondContact NE-O 3.48Å; R303-N324 PolarHBondContact NH2-O 3.23Å; R303-P325 PolarHBondContact N-O 3.12Å; R303-G327 VanDerWaalsContact CD-O 3.28Å; R303-G327 WeakPolarHBondContact CD-O 3.39Å; R303-G327 PolarHBondContact NE-O 2.95Å | ||
| 304 | P | 91.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 40 Ų | 40 | 25% | 0.253 | 21% | 0.212 | S | C | . | . | trans | -68 | 159 | 163.6 | 32.2 | -36.8 | 0 | 0 | 0 | 111.4 | V270 D272 M294 | V270-P304 CarbonylContact O-C 3.33Å; V270-P304 WeakPolarHBondContact O-CA 3.43Å; D272-P304 HydrophobicContact CB-CB 4.16Å; M294-P304 HydrophobicContact CE-CB 4.18Å; M294-P304 HydrophobicContact SD-CB 3.81Å; M294-P304 HydrophobicContact SD-CG 3.79Å | ||
| 305 | I | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 113.8 | -177.4 | -57.1 | -51.8 | 0 | 0 | 0 | 109.6 | C269 V270 V271 D272 E309 C323 P325 | C269-I305 HydrophobicContact CB-CG1 4.12Å; V270-I305 PolarHBondContact O-N 2.8Å; V271-I305 WeakPolarHBondContact CA-O 3.06Å; D272-I305 PolarHBondContact N-O 2.81Å; I305-E309 HydrophobicContact CG2-CB 3.93Å; I305-C323 HydrophobicContact CG2-CB 4.15Å; I305-P325 HydrophobicContact CD1-CB 4.49Å |
| 306 | P | 89.9 | Confident | 89.9 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | trans | -58.3 | 141.6 | 171.7 | -24.9 | 34.7 | 0 | 0 | 0 | 112.6 | A308 E309 | P306-A308 PolarHBondContact O-N 2.72Å; P306-A308 VanDerWaalsContact O-N 3.12Å; P306-E309 WeakPolarHBondContact CD-OE1 3.43Å; P306-E309 WeakPolarHBondContact O-CB 3.5Å; P306-E309 PolarHBondContact O-N 3.19Å | ||
| 307 | E | 87.9 | Confident | 90.1 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -50.3 | -37.9 | 177.7 | 175.8 | 166.7 | 154.7 | 0 | 0 | 113.5 | Q234 K237 L238 E309 I310 L741 | Q234-E307 PolarHBondContact NE2-OE2 3.05Å; Q234-E307 VanDerWaalsContact NE2-OE2 3.12Å; K237-E307 WeakPolarHBondContact CE-OE1 3.49Å; K237-E307 IonicContact NZ-OE1 2.65Å; K237-E307 PolarHBondContact NZ-OE1 3.06Å; L238-E307 HydrophobicContact CD1-CB 4.5Å; L238-E307 HydrophobicContact CD1-CG 3.74Å; L238-E307 HydrophobicContact CD2-CG 4.02Å; L238-E307 HydrophobicContact CG-CG 4.5Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.82Å; E307-I310 WeakPolarHBondContact O-CB 3.42Å; E307-I310 PolarHBondContact O-N 2.97Å; E307-L741 HydrophobicContact CG-CD2 3.84Å; E307-L741 WeakPolarHBondContact OE1-CD2 3.18Å |
| 308 | A | 87.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 41 Ų | 41 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -30.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P306 I310 G311 L312 L741 F742 | P306-A308 PolarHBondContact O-N 2.72Å; P306-A308 VanDerWaalsContact O-N 3.12Å; A308-I310 VanDerWaalsContact C-N 3.26Å; A308-I310 PolarHBondContact O-N 2.87Å; A308-G311 PolarHBondContact O-N 3.29Å; A308-L312 WeakPolarHBondContact O-CG 3.19Å; A308-L312 PolarHBondContact O-N 3.17Å; A308-L741 WeakPolarHBondContact CB-O 3.38Å; A308-F742 HydrophobicContact CB-CD1 4.17Å; A308-F742 HydrophobicContact CB-CE1 4.01Å; A308-F742 HydrophobicContact CB-CZ 4.44Å; A308-F742 WeakPolarHBondContact O-CZ 3.45Å |
| 309 | E | 90.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.5 | -29.1 | 178.5 | -73.5 | -170 | -146.6 | 0 | 0 | 112.4 | R303 I305 P306 E307 G311 L312 A313 Y322 C323 | R303-E309 IonicContact CZ-OE1 3.36Å; R303-E309 VanDerWaalsContact CZ-OE1 3.3Å; R303-E309 IonicContact CZ-OE2 3.21Å; R303-E309 IonicContact NH1-OE1 3.8Å; R303-E309 PolarHBondContact NH1-OE1 3.01Å; R303-E309 IonicContact NH1-OE2 2.72Å; R303-E309 VanDerWaalsContact NH2-CD 3.34Å; R303-E309 IonicContact NH2-OE1 2.76Å; R303-E309 PolarHBondContact NH2-OE1 3.23Å; R303-E309 IonicContact NH2-OE2 3.4Å; R303-E309 PolarHBondContact NH2-OE2 2.91Å; I305-E309 HydrophobicContact CG2-CB 3.93Å; P306-E309 WeakPolarHBondContact CD-OE1 3.43Å; P306-E309 WeakPolarHBondContact O-CB 3.5Å; P306-E309 PolarHBondContact O-N 3.19Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.82Å; E309-G311 VanDerWaalsContact C-N 3.28Å; E309-G311 PolarHBondContact O-N 2.94Å; E309-L312 PolarHBondContact O-N 3.22Å; E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 3.41Å; E309-A313 PolarHBondContact O-N 2.92Å; E309-Y322 HydrophobicContact CG-CD1 4.25Å; E309-Y322 WeakPolarHBondContact OE2-CA 3.43Å; E309-C323 VanDerWaalsContact C-SG 3.55Å; E309-C323 PolarHBondContact O-SG 3.18Å; E309-C323 PolarHBondContact OE2-N 3.32Å |
| 310 | I | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.7 | -51.5 | 176.6 | 0 | 0 | 0 | 109.5 | F222 F227 L238 I242 V271 E307 A308 V314 | F222-I310 HydrophobicContact CE1-CG2 4.41Å; F222-I310 HydrophobicContact CE2-CG2 4.13Å; F222-I310 HydrophobicContact CZ-CG2 3.62Å; F227-I310 HydrophobicContact CD1-CD1 4.27Å; F227-I310 HydrophobicContact CE1-CD1 4.32Å; F227-I310 HydrophobicContact CE1-CG1 4.05Å; L238-I310 HydrophobicContact CD1-CD1 4.32Å; I242-I310 HydrophobicContact CD1-CD1 4.42Å; I242-I310 HydrophobicContact CG1-CG2 4.32Å; V271-I310 HydrophobicContact CG1-CD1 4.5Å; V271-I310 HydrophobicContact CG2-CD1 4.28Å; E307-I310 WeakPolarHBondContact O-CB 3.42Å; E307-I310 PolarHBondContact O-N 2.97Å; A308-I310 VanDerWaalsContact C-N 3.26Å; A308-I310 PolarHBondContact O-N 2.87Å; I310-V314 WeakPolarHBondContact O-CG2 3.49Å |
| 311 | G | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A308 E309 A313 V314 I315 | A308-G311 PolarHBondContact O-N 3.29Å; E309-G311 VanDerWaalsContact C-N 3.28Å; E309-G311 PolarHBondContact O-N 2.94Å; G311-A313 PolarHBondContact O-N 3.34Å; G311-V314 PolarHBondContact O-N 3.36Å; G311-I315 WeakPolarHBondContact O-CG1 3.12Å; G311-I315 PolarHBondContact O-N 2.94Å |
| 312 | L | 90.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.5 | -69.2 | 171 | 0 | 0 | 0 | 112.5 | A308 E309 V314 I315 F316 Y322 F742 | A308-L312 WeakPolarHBondContact O-CG 3.19Å; A308-L312 PolarHBondContact O-N 3.17Å; E309-L312 PolarHBondContact O-N 3.22Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3.25Å; L312-I315 PolarHBondContact O-N 3.44Å; L312-F316 HydrophobicContact CD2-CD2 4.11Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.18Å; L312-F316 PolarHBondContact O-N 3.23Å; L312-Y322 HydrophobicContact CB-CD1 3.68Å; L312-Y322 HydrophobicContact CB-CD2 3.8Å; L312-Y322 HydrophobicContact CB-CE1 3.81Å; L312-Y322 HydrophobicContact CB-CE2 3.92Å; L312-Y322 HydrophobicContact CB-CG 3.67Å; L312-Y322 HydrophobicContact CD1-CD1 3.81Å; L312-Y322 HydrophobicContact CD1-CE1 3.53Å; L312-Y322 HydrophobicContact CG-CD1 4.37Å; L312-Y322 HydrophobicContact CG-CE1 4.19Å; L312-F742 HydrophobicContact CD1-CE1 4.09Å; L312-F742 HydrophobicContact CD2-CE1 3.58Å; L312-F742 HydrophobicContact CD2-CZ 3.8Å; L312-F742 HydrophobicContact CG-CE1 3.59Å; L312-F742 HydrophobicContact CG-CZ 3.7Å |
| 313 | A | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F222 E309 G311 M317 T318 T319 | F222-A313 HydrophobicContact CE1-CB 3.91Å; F222-A313 HydrophobicContact CZ-CB 4.35Å; E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 3.41Å; E309-A313 PolarHBondContact O-N 2.92Å; G311-A313 PolarHBondContact O-N 3.34Å; A313-M317 CarbonylContact O-C 3.26Å; A313-M317 WeakPolarHBondContact O-CA 3.27Å; A313-M317 PolarHBondContact O-N 3.24Å; A313-T318 WeakPolarHBondContact CA-O 3.37Å; A313-T318 PolarHBondContact O-N 3.02Å; A313-T318 VanDerWaalsContact O-N 3.13Å; A313-T319 HydrophobicContact CB-CG2 3.84Å |
| 314 | V | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75 | -43.3 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | I162 L165 I166 R218 I221 F222 I310 G311 L312 M317 | I162-V314 HydrophobicContact CD1-CB 4.18Å; I162-V314 HydrophobicContact CD1-CG1 4.21Å; I162-V314 HydrophobicContact CG2-CB 4.22Å; I162-V314 HydrophobicContact CG2-CG1 4.17Å; I162-V314 HydrophobicContact CG2-CG2 3.91Å; L165-V314 HydrophobicContact CB-CG1 4.09Å; I166-V314 HydrophobicContact CD1-CG1 4.28Å; I166-V314 HydrophobicContact CD1-CG2 3.78Å; I166-V314 HydrophobicContact CG1-CG1 3.67Å; I166-V314 HydrophobicContact CG1-CG2 4Å; R218-V314 VanDerWaalsContact CD-O 3.27Å; R218-V314 WeakPolarHBondContact CD-O 3.22Å; R218-V314 PolarHBondContact NE-O 3.12Å; I221-V314 HydrophobicContact CG2-CG2 4.06Å; F222-V314 HydrophobicContact CE2-CG2 3.86Å; F222-V314 HydrophobicContact CZ-CG2 3.67Å; I310-V314 WeakPolarHBondContact O-CG2 3.49Å; G311-V314 PolarHBondContact O-N 3.36Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3.25Å; V314-M317 WeakPolarHBondContact O-CG 3.45Å |
| 315 | I | 90.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 179.4 | -74.5 | 165.9 | 0 | 0 | 0 | 111.8 | V157 I162 L165 I205 V210 G311 L312 | V157-I315 HydrophobicContact CB-CD1 4.18Å; V157-I315 HydrophobicContact CG1-CD1 3.61Å; V157-I315 HydrophobicContact CG2-CD1 3.53Å; I162-I315 HydrophobicContact CD1-CD1 4.3Å; I162-I315 HydrophobicContact CD1-CG1 4.23Å; L165-I315 HydrophobicContact CD1-CG1 4.36Å; I205-I315 HydrophobicContact CD1-CD1 3.93Å; I205-I315 HydrophobicContact CD1-CG2 4.4Å; I205-I315 HydrophobicContact CG1-CD1 4.33Å; I205-I315 HydrophobicContact CG2-CG2 4.4Å; V210-I315 HydrophobicContact CG1-CG2 3.58Å; G311-I315 WeakPolarHBondContact O-CG1 3.12Å; G311-I315 PolarHBondContact O-N 2.94Å; L312-I315 PolarHBondContact O-N 3.44Å |
| 316 | F | 89.7 | Confident | 90.3 | Very high | 69 Ų | 69 | 38 Ų | 38 | 30% | 0.303 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.4 | -178 | -70.4 | -70.2 | 0 | 0 | 0 | 113.4 | I205 K208 L312 T318 Y322 | I205-F316 HydrophobicContact CG2-CE1 4.46Å; I205-F316 HydrophobicContact CG2-CE2 3.97Å; I205-F316 HydrophobicContact CG2-CZ 3.55Å; K208-F316 HydrophobicContact CD-CE1 4.28Å; K208-F316 HydrophobicContact CD-CZ 4.29Å; L312-F316 HydrophobicContact CD2-CD2 4.11Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.18Å; L312-F316 PolarHBondContact O-N 3.23Å; F316-T318 VanDerWaalsContact C-N 3.25Å; F316-T318 HydrophobicContact CB-CG2 4.21Å; F316-T318 PolarHBondContact O-N 2.9Å; F316-Y322 HydrophobicContact CB-CD2 4.42Å; F316-Y322 HydrophobicContact CB-CE2 3.85Å; F316-Y322 AromaticContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CG-CE2 4.04Å |
| 317 | M | 90.6 | Very high | 89.7 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 30% | 0.296 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 35.9 | 175.2 | -57 | 178.9 | 53.6 | 0 | 0 | 114.2 | R215 E217 R218 A313 V314 | R215-M317 HydrophobicContact CB-CE 4.33Å; R215-M317 HydrophobicContact CB-SD 4.45Å; R215-M317 WeakPolarHBondContact CD-SD 3.34Å; E217-M317 HydrophobicContact CB-CE 3.59Å; E217-M317 HydrophobicContact CG-CE 4.13Å; R218-M317 HydrophobicContact CG-CE 4.3Å; R218-M317 HydrophobicContact CG-CG 4.11Å; R218-M317 HydrophobicContact CG-SD 4.25Å; A313-M317 CarbonylContact O-C 3.26Å; A313-M317 WeakPolarHBondContact O-CA 3.27Å; A313-M317 PolarHBondContact O-N 3.24Å; V314-M317 WeakPolarHBondContact O-CG 3.45Å |
| 318 | T | 91.2 | Very high | 88.6 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | trans | -140 | 132.4 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A313 F316 E320 N321 Y322 | A313-T318 WeakPolarHBondContact CA-O 3.37Å; A313-T318 PolarHBondContact O-N 3.02Å; A313-T318 VanDerWaalsContact O-N 3.13Å; F316-T318 VanDerWaalsContact C-N 3.25Å; F316-T318 HydrophobicContact CB-CG2 4.21Å; F316-T318 PolarHBondContact O-N 2.9Å; T318-E320 PolarHBondContact OG1-N 3.22Å; T318-E320 VanDerWaalsContact OG1-N 3.12Å; T318-N321 HydrophobicContact CG2-CB 4.09Å; T318-Y322 HydrophobicContact CG2-CD2 4.13Å; T318-Y322 HydrophobicContact CG2-CE2 4.37Å | ||
| 319 | T | 91.9 | Very high | 87.1 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -107 | 19.3 | 168.9 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | I221 F222 K225 A313 Y322 | I221-T319 HydrophobicContact CD1-CG2 4.07Å; I221-T319 HydrophobicContact CG1-CG2 4.01Å; I221-T319 WeakPolarHBondContact O-CG2 3.36Å; I221-T319 PolarHBondContact O-OG1 2.78Å; F222-T319 HydrophobicContact CD1-CG2 3.85Å; F222-T319 HydrophobicContact CE1-CG2 3.96Å; K225-T319 PolarHBondContact NZ-O 3.48Å; A313-T319 HydrophobicContact CB-CG2 3.84Å; T319-Y322 CarbonylContact C-O 3.49Å; T319-Y322 WeakPolarHBondContact CA-O 3.49Å; T319-Y322 VanDerWaalsContact O-O 3.08Å |
| 320 | E | 88.7 | Confident | 85.2 | Confident | 150 Ų | 150 | 48 Ų | 48 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -90.9 | -43.4 | 171.5 | -58.2 | 176.9 | 154.4 | 0 | 0 | 110.6 | T318 N324 | T318-E320 PolarHBondContact OG1-N 3.22Å; T318-E320 VanDerWaalsContact OG1-N 3.12Å; E320-N324 VanDerWaalsContact O-CB 3.22Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-ND2 3.23Å |
| 321 | N | 86.5 | Confident | 82.9 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -86.7 | -20.2 | 178.7 | -65 | -25.1 | 0 | 0 | 0 | 113.2 | T318 C330 | T318-N321 HydrophobicContact CG2-CB 4.09Å; N321-C330 PolarHBondContact O-SG 3.16Å |
| 322 | Y | 89.5 | Confident | 80.5 | Confident | 24 Ų | 24 | 59 Ų | 59 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -135.7 | 148.9 | -176.8 | -55.5 | -61.9 | 0 | 0 | 0 | 109.4 | E309 L312 F316 T318 T319 N324 C330 | E309-Y322 HydrophobicContact CG-CD1 4.25Å; E309-Y322 WeakPolarHBondContact OE2-CA 3.43Å; L312-Y322 HydrophobicContact CB-CD1 3.68Å; L312-Y322 HydrophobicContact CB-CD2 3.8Å; L312-Y322 HydrophobicContact CB-CE1 3.81Å; L312-Y322 HydrophobicContact CB-CE2 3.92Å; L312-Y322 HydrophobicContact CB-CG 3.67Å; L312-Y322 HydrophobicContact CD1-CD1 3.81Å; L312-Y322 HydrophobicContact CD1-CE1 3.53Å; L312-Y322 HydrophobicContact CG-CD1 4.37Å; L312-Y322 HydrophobicContact CG-CE1 4.19Å; F316-Y322 HydrophobicContact CB-CD2 4.42Å; F316-Y322 HydrophobicContact CB-CE2 3.85Å; F316-Y322 AromaticContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CG-CE2 4.04Å; T318-Y322 HydrophobicContact CG2-CD2 4.13Å; T318-Y322 HydrophobicContact CG2-CE2 4.37Å; T319-Y322 CarbonylContact C-O 3.49Å; T319-Y322 WeakPolarHBondContact CA-O 3.49Å; T319-Y322 VanDerWaalsContact O-O 3.08Å; Y322-N324 PolarHBondContact O-N 2.65Å; Y322-C330 HydrophobicContact CE1-CB 4.39Å |
| 323 | C | 92.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 53.7 | 37.4 | -174.6 | -53.2 | 0 | 0 | 0 | 0 | 112.7 | K225 F227 I305 E309 | K225-C323 PolarHBondContact NZ-O 2.95Å; F227-C323 HydrophobicContact CE1-CB 3.98Å; F227-C323 HydrophobicContact CZ-CB 3.81Å; I305-C323 HydrophobicContact CG2-CB 4.15Å; E309-C323 VanDerWaalsContact C-SG 3.55Å; E309-C323 PolarHBondContact O-SG 3.18Å; E309-C323 PolarHBondContact OE2-N 3.32Å |
| 324 | N | 91.9 | Very high | 75.6 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | trans | -113.4 | 106.1 | 177.4 | -179.4 | -4.8 | 0 | 0 | 0 | 109.4 | R303 E320 Y322 Q326 G327 | R303-N324 PolarHBondContact NE-O 3.48Å; R303-N324 PolarHBondContact NH2-O 3.23Å; E320-N324 VanDerWaalsContact O-CB 3.22Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-ND2 3.23Å; Y322-N324 PolarHBondContact O-N 2.65Å; N324-Q326 VanDerWaalsContact C-N 3.26Å; N324-Q326 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact OD1-N 2.73Å; N324-Q326 VanDerWaalsContact OD1-N 3.09Å; N324-G327 PolarHBondContact O-N 3.08Å; N324-G327 PolarHBondContact OD1-N 3.27Å; N324-G327 VanDerWaalsContact OD1-N 3.14Å | ||
| 325 | P | 90.2 | Very high | 72.5 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 10% | 0.104 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.6 | -175.2 | 31.7 | -37.4 | 0 | 0 | 0 | 113 | L302 R303 I305 | L302-P325 CarbonylContact C-O 3.57Å; L302-P325 VanDerWaalsContact CA-O 3.31Å; L302-P325 WeakPolarHBondContact CA-O 3.33Å; L302-P325 HydrophobicContact CD2-CB 4.32Å; R303-P325 PolarHBondContact N-O 3.12Å; I305-P325 HydrophobicContact CD1-CB 4.49Å |
| 326 | Q | 87.1 | Confident | 69.5 | Low | 150 Ų | 150 | 82.7 Ų | 82.7 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.5 | 175.6 | -66.2 | 177.3 | -2.6 | 0 | 0 | 112.7 | L302 N324 | L302-Q326 HydrophobicContact CD2-CG 3.59Å; N324-Q326 VanDerWaalsContact C-N 3.26Å; N324-Q326 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact OD1-N 2.73Å; N324-Q326 VanDerWaalsContact OD1-N 3.09Å |
| 327 | G | 78.2 | Confident | 66.7 | Low | 20 Ų | 20 | 85 Ų | 85 | 21% | 0.206 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -82.7 | 141.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R303 N324 | R303-G327 VanDerWaalsContact CD-O 3.28Å; R303-G327 WeakPolarHBondContact CD-O 3.39Å; R303-G327 PolarHBondContact NE-O 2.95Å; N324-G327 PolarHBondContact O-N 3.08Å; N324-G327 PolarHBondContact OD1-N 3.27Å; N324-G327 VanDerWaalsContact OD1-N 3.14Å |
| 328 | Q | 65.1 | Low | 63.8 | Low | 178 Ų | 178 | 88 Ų | 88 | 83% | 0.832 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 149 | 169.2 | -68.1 | -171.3 | -4.1 | 0 | 0 | 110.9 | C330 | Q328-C330 PolarHBondContact O-N 3.42Š|
| 329 | P | 56.9 | Low | 60.9 | Low | 83 Ų | 83 | 89.6 Ų | 89.6 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 122.8 | -178.6 | -25.5 | 35.1 | 0 | 0 | 0 | 113.3 | T331 | P329-T331 PolarHBondContact O-N 3.01Å; P329-T331 PolarHBondContact O-OG1 3.14Å |
| 330 | C | 49.8 | Very low | 58.2 | Low | 59 Ų | 59 | 94.8 Ų | 94.8 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | trans | -60 | 98.4 | 178.9 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | N321 Y322 Q328 E332 | N321-C330 PolarHBondContact O-SG 3.16Å; Y322-C330 HydrophobicContact CE1-CB 4.39Å; Q328-C330 PolarHBondContact O-N 3.42Å; C330-E332 PolarHBondContact O-N 3.29Å; C330-E332 VanDerWaalsContact O-N 3.15Å | ||
| 331 | T | 44.5 | Very low | 55.4 | Low | 88 Ų | 88 | 93 Ų | 93 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -82.1 | 12.2 | -170.7 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | P329 L333 K334 | P329-T331 PolarHBondContact O-N 3.01Å; P329-T331 PolarHBondContact O-OG1 3.14Å; T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.04Å; T331-K334 HydrophobicContact CG2-CD 3.74Å; T331-K334 VanDerWaalsContact CG2-CE 3.44Å; T331-K334 HydrophobicContact CG2-CG 4.22Å |
| 332 | E | 40.8 | Very low | 52.7 | Low | 142 Ų | 142 | 97.5 Ų | 97.5 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -63.5 | -26.2 | 178.4 | -71 | -155.2 | 168.7 | 0 | 0 | 113.8 | K208 C330 K334 | K208-E332 IonicContact NZ-OE2 2.73Å; K208-E332 PolarHBondContact NZ-OE2 2.91Å; C330-E332 PolarHBondContact O-N 3.29Å; C330-E332 VanDerWaalsContact O-N 3.15Å; E332-K334 PolarHBondContact O-N 3.09Å; E332-K334 VanDerWaalsContact O-N 3.09Å |
| 333 | L | 44.7 | Very low | 50.1 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -86.4 | 43.3 | 180 | -85.9 | 163 | 0 | 0 | 0 | 113.7 | A204 T331 | A204-L333 WeakPolarHBondContact O-CD1 3.39Å; A204-L333 WeakPolarHBondContact O-CD2 3.47Å; T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.04Å |
| 334 | K | 34.9 | Very low | 47.4 | Very low | 156 Ų | 156 | 111 Ų | 111 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -87 | 114.1 | 161.7 | -80.7 | 179.2 | 174.7 | 166 | 0 | 109.4 | T331 E332 T336 | T331-K334 HydrophobicContact CG2-CD 3.74Å; T331-K334 VanDerWaalsContact CG2-CE 3.44Å; T331-K334 HydrophobicContact CG2-CG 4.22Å; E332-K334 PolarHBondContact O-N 3.09Å; E332-K334 VanDerWaalsContact O-N 3.09Å; K334-T336 PolarHBondContact O-N 3.36Å | ||
| 335 | T | 28.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | trans | -61.7 | 103 | 172.3 | 37.4 | 0 | 0 | 0 | 0 | 110.4 | T337 | T335-T337 VanDerWaalsContact C-N 3.3Å; T335-T337 PolarHBondContact O-N 2.96Å; T335-T337 PolarHBondContact O-OG1 2.74Å | ||
| 336 | T | 26.5 | Very low | 41.5 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | trans | -64.3 | 89.1 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | K334 | K334-T336 PolarHBondContact O-N 3.36Š| ||
| 337 | T | 30.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | -83.3 | 119.6 | 170.6 | -51.7 | 0 | 0 | 0 | 0 | 107.3 | T335 G339 | T335-T337 VanDerWaalsContact C-N 3.3Å; T335-T337 PolarHBondContact O-N 2.96Å; T335-T337 PolarHBondContact O-OG1 2.74Å; T337-G339 PolarHBondContact O-N 3.22Å | ||
| 338 | P | 30.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -73.8 | 86.5 | -175.1 | 28.9 | -34.6 | 0 | 0 | 0 | 111.6 | ||||
| 339 | G | 30.6 | Very low | 34.7 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 151 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T337 S341 | T337-G339 PolarHBondContact O-N 3.22Å; G339-S341 PolarHBondContact O-N 2.9Å |
| 340 | P | 34.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 122 Ų | 122 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65 | 135.3 | -173.9 | 26 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 341 | S | 31.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127 | -179 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | G339 | G339-S341 PolarHBondContact O-N 2.9Š|
| 342 | L | 29.5 | Very low | 31.5 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | trans | -141.9 | 94.2 | 159.5 | -119 | 166 | 0 | 0 | 0 | 109.3 | ||||
| 343 | S | 35.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -107.2 | 120.5 | -176.5 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 344 | Q | 33.7 | Very low | 30.5 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -171.1 | 134 | 152.3 | -106.6 | 159.9 | 44.1 | 0 | 0 | 109.1 | ||||
| 345 | G | 29.6 | Very low | 30 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 161.3 | 62.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S347 | G345-S347 PolarHBondContact O-N 3.31Š| ||
| 346 | L | 28.6 | Very low | 30.1 | Very low | 165 Ų | 165 | 129 Ų | 129 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 121.7 | 175.5 | -163.9 | 78.6 | 0 | 0 | 0 | 109.4 | V348 | L346-V348 PolarHBondContact O-N 2.81Š| ||
| 347 | S | 27.2 | Very low | 31 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -78.2 | 117.8 | -178.4 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | G345 | G345-S347 PolarHBondContact O-N 3.31Š| ||
| 348 | V | 30.9 | Very low | 31 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | -127.7 | 133 | 172.1 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | L346 | L346-V348 PolarHBondContact O-N 2.81Š| ||
| 349 | N | 30 | Very low | 30.9 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 131.6 | -175 | -174.7 | 7.2 | 0 | 0 | 0 | 112.1 | ||||
| 350 | G | 27.7 | Very low | 30.7 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -158.4 | 130.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 351 | K | 27.9 | Very low | 30.4 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -84.4 | 138.3 | -172.9 | -96.3 | 179.1 | 164.7 | -177.5 | 0 | 114.5 | ||||
| 352 | I | 29 | Very low | 30.2 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | trans | 80.7 | 141.6 | 130.9 | -68.8 | 173.3 | 0 | 0 | 0 | 121.2 | ||||
| 353 | M | 28.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | trans | 77.2 | 134.7 | 165.6 | -80.4 | -53.1 | 98.9 | 0 | 0 | 120.4 | ||||
| 354 | P | 35.3 | Very low | 29.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -102.3 | 160.5 | 169.8 | 39.7 | -32.3 | 0 | 0 | 0 | 113.2 | ||||
| 355 | S | 25.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 138.4 | 163.7 | 58 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 356 | A | 29.6 | Very low | 29.6 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -101.4 | -152.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 357 | P | 46.1 | Very low | 30 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | -119.7 | 164.9 | -103.1 | 37.4 | -22.6 | 0 | 0 | 0 | 114 | |||||
| 358 | V | 30.7 | Very low | 30.1 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -134.4 | 131.4 | 167.2 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 359 | N | 27.3 | Very low | 30 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -84.2 | 154.2 | -179.4 | -54.7 | -42 | 0 | 0 | 0 | 111.6 | ||||
| 360 | M | 27.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -145.3 | 118 | 139.7 | -164.4 | 144.5 | -72.2 | 0 | 0 | 111.7 | ||||
| 361 | T | 28.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -55.8 | 125.3 | 164.7 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 362 | A | 25.6 | Very low | 29.9 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | 81.2 | 131.8 | 70.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 363 | Y | 28.7 | Very low | 29.8 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -144 | 139.2 | 153.4 | -122.1 | -82.3 | 0 | 0 | 0 | 108.8 | ||||
| 364 | V | 28.8 | Very low | 29.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | trans | -108.8 | 148.3 | -174.4 | 170 | 0 | 0 | 0 | 0 | 109.6 | D366 | V364-D366 HydrophobicContact CG1-CB 4.39Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.37Å | ||
| 365 | A | 29.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -147.9 | 76.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 366 | D | 28.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -78.7 | 136.9 | 172.3 | -64.2 | -51.4 | 0 | 0 | 0 | 110.8 | V364 | V364-D366 HydrophobicContact CG1-CB 4.39Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.37Å | ||
| 367 | T | 38.3 | Very low | 29.5 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -143.5 | 100.2 | 148.9 | 49.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 368 | E | 28.2 | Very low | 28.8 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -11 | 156 | 130.8 | -74.6 | -176.1 | 148.4 | 0 | 0 | 117.4 | ||||
| 369 | S | 29.1 | Very low | 28.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | cis | -171.2 | -172.7 | -10 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 370 | E | 27.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 67.8 | 160.8 | 160 | -67 | -171 | 177.8 | 0 | 0 | 119.2 | ||||
| 371 | Q | 27.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | -162.8 | 171.6 | -51.9 | -127.3 | -175.7 | 37 | 0 | 0 | 109.4 | |||||
| 372 | A | 27.8 | Very low | 29.4 | Very low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | trans | 61.8 | 118.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 373 | D | 27.8 | Very low | 29.5 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 45.4 | 132.3 | 127 | -48.9 | -26.8 | 0 | 0 | 0 | 122 | |||||
| 374 | T | 30.6 | Very low | 29.3 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 169.4 | 131.5 | 105.5 | -75.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 375 | C | 27.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 68.4 | 137.9 | 154.3 | -159.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 376 | M | 28.7 | Very low | 29 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | trans | -103.5 | 135.2 | 163.9 | -85.8 | -101.5 | -69.1 | 0 | 0 | 110.4 | ||||
| 377 | S | 25.3 | Very low | 28.9 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -167.2 | 160.7 | 148.9 | -89.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 378 | L | 31 | Very low | 28.4 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -100.9 | 141.8 | -176.3 | -58.4 | 159.1 | 0 | 0 | 0 | 110.8 | ||||
| 379 | S | 28.3 | Very low | 28.3 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | -171.9 | 154.2 | 121.2 | -141.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 380 | E | 26.1 | Very low | 28.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 32.4 | 103.8 | 143.6 | -70.1 | 162.9 | 129 | 0 | 0 | 123.7 | ||||
| 381 | R | 28.9 | Very low | 28.2 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | 68.1 | 162.8 | 112.2 | -79.7 | -169.1 | 173.3 | -164.5 | -1 | 120.5 | |||||
| 382 | P | 43.3 | Very low | 28.4 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -118.5 | 164.4 | -138.8 | 42.6 | -36.2 | 0 | 0 | 0 | 117.5 | ||||
| 383 | K | 27.3 | Very low | 28.4 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -174.5 | 134.9 | 136.7 | -98.8 | 159.3 | -179.1 | -177.9 | 0 | 109.8 | ||||
| 384 | E | 24.7 | Very low | 28.3 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 72.4 | 132.9 | 91.2 | -141.6 | 165.2 | -144.5 | 0 | 0 | 111.2 | |||||
| 385 | V | 25.7 | Very low | 28 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -157.1 | 140.5 | 45.2 | -157.1 | 0 | 0 | 0 | 0 | 109.5 | I387 | V385-I387 HydrophobicContact CG1-CD1 3.47Å; V385-I387 VanDerWaalsContact CG1-CD1 3.47Å; V385-I387 HydrophobicContact CG1-CG1 4.07Å | ||
| 386 | K | 26 | Very low | 27.9 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | 175.8 | 125.7 | 99.7 | -82.8 | 173.5 | -176.2 | 176.4 | 0 | 106.8 | |||||
| 387 | I | 27.4 | Very low | 27.7 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | cis | 83.5 | 91.4 | 49.1 | -58.8 | 174.9 | 0 | 0 | 0 | 114.4 | V385 | V385-I387 HydrophobicContact CG1-CD1 3.47Å; V385-I387 VanDerWaalsContact CG1-CD1 3.47Å; V385-I387 HydrophobicContact CG1-CG1 4.07Å | ||
| 388 | S | 26.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | -154.8 | 132.5 | 122.6 | 51.8 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 389 | G | 27 | Very low | 27.5 | Very low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | 93.7 | 132 | 41.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 390 | V | 28 | Very low | 27.3 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | cis | -162 | 146.2 | 13.8 | 164.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 391 | E | 25.7 | Very low | 27.3 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | cis | -172 | 158.7 | -18.7 | -103.4 | -151.8 | 94.8 | 0 | 0 | 111 | ||||
| 392 | Q | 33 | Very low | 27.1 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | 62.7 | 155.1 | 147.5 | -68.3 | -171.6 | 40.5 | 0 | 0 | 121.9 | ||||
| 393 | T | 26.4 | Very low | 26.2 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | cis | -154.4 | 159.9 | -8.4 | 13.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 394 | F | 25.6 | Very low | 26.1 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | 20.4 | 112.6 | 156.9 | -59.2 | -59.4 | 0 | 0 | 0 | 126 | ||||
| 395 | R | 25.8 | Very low | 26.3 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | 56.3 | 124.7 | 100 | -147.6 | -172 | -159.1 | -174.2 | 8.2 | 121.8 | |||||
| 396 | K | 26.1 | Very low | 26.4 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | 94.7 | 129.3 | 139.6 | -115.8 | -176.7 | -178.5 | -169.7 | 0 | 121.8 | ||||
| 397 | L | 22.7 | Very low | 26.4 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 86.3 | 116.1 | 141.3 | -134 | 80 | 0 | 0 | 0 | 122.3 | ||||
| 398 | S | 28.2 | Very low | 26.3 | Very low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 62.4 | 152.1 | 135.9 | 61.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 399 | Q | 25.7 | Very low | 26.4 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | 87.5 | 115.9 | 152.3 | -80.2 | 179.9 | -79 | 0 | 0 | 122.5 | ||||
| 400 | E | 23.5 | Very low | 26.4 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | 59.8 | 112.4 | 123.6 | -65.8 | -175.3 | 105.4 | 0 | 0 | 124.3 | |||||
| 401 | T | 26.4 | Very low | 26.2 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 63 | 92.3 | 114.1 | -38.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 402 | Y | 24.2 | Very low | 26.5 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | -160 | 141.4 | 136.4 | 49.8 | -87.5 | 0 | 0 | 0 | 109 | ||||
| 403 | S | 23.9 | Very low | 26.5 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | 114.8 | 146.9 | 7.3 | -167.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 404 | M | 25.3 | Very low | 26.8 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | 76 | 119.1 | -174.4 | -61.1 | -172.8 | -74.2 | 0 | 0 | 114.3 | ||||
| 405 | K | 28.3 | Very low | 27.1 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 73% | 0.726 | 74% | 0.742 | S | S | * | * | 83.3 | 149.3 | 64.7 | -79.2 | 179.2 | 158.7 | -144.7 | 0 | 112 | |||||
| 406 | E | 28.7 | Very low | 27.4 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | cis | -147.3 | 171.4 | 13.1 | -147.2 | 142.1 | -148.4 | 0 | 0 | 114.6 | ||||
| 407 | A | 26.9 | Very low | 27.6 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 170.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 408 | L | 24.6 | Very low | 28 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | -156.3 | 167.7 | 111.5 | -150.4 | 49.4 | 0 | 0 | 0 | 114.9 | |||||
| 409 | K | 28.9 | Very low | 28.3 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | -73.6 | -180 | -177.6 | -46.9 | 140.7 | -174.4 | 174.6 | 0 | 110.9 | ||||
| 410 | S | 26.2 | Very low | 28.5 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -169.9 | 167.4 | 24.1 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 411 | S | 25.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 70.6 | 163.2 | 147.6 | 70.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 412 | S | 30.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -175.6 | 150.1 | -47.7 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 413 | K | 34.3 | Very low | 29.4 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 70.7 | 152.3 | 160.9 | -62.8 | -173.2 | 179.2 | 179.4 | 0 | 117.1 | ||||
| 414 | T | 32.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -163.1 | 178.6 | -11.3 | 19.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 415 | N | 31.6 | Very low | 29.6 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 86.6 | 164.7 | 160.1 | -59.8 | -23.7 | 0 | 0 | 0 | 117.9 | ||||
| 416 | N | 31.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | 178.6 | 167.4 | -53.8 | -98.7 | -6.5 | 0 | 0 | 0 | 109.7 | |||||
| 417 | V | 31.4 | Very low | 29.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 78.9 | 126.2 | 167.8 | -172.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 418 | V | 30.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -150.6 | 163.1 | -13.1 | 111.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 419 | S | 33.9 | Very low | 30.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -51.7 | 168.1 | 176.2 | -38.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 420 | S | 29.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -159 | -176.1 | 34.6 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 421 | T | 28.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -156.7 | -177.4 | 25.7 | -28.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 422 | L | 35.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -64.9 | 162.9 | 169.7 | -78.3 | 50.4 | 0 | 0 | 0 | 112.3 | ||||
| 423 | V | 29.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | cis | -149.9 | 171.2 | 21.9 | -128.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 424 | R | 26.3 | Very low | 30.8 | Very low | 199 Ų | 199 | 137 Ų | 137 | 75% | 0.751 | 74% | 0.743 | S | S | * | * | cis | -148 | 162.9 | 1.7 | -170.3 | 162.5 | -176.1 | 175.7 | 3.6 | 112.6 | ||||
| 425 | E | 27.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 51% | 0.509 | 74% | 0.744 | S | S | . | * | trans | -37.5 | 162.6 | 156.8 | -39.3 | 173.2 | 109 | 0 | 0 | 117.1 | ||||
| 426 | K | 25.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | cis | -155.1 | 137.9 | 15.1 | -138.3 | 144.5 | -169.5 | 158 | 0 | 111.9 | ||||
| 427 | N | 32 | Very low | 30.3 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -115.4 | 163.1 | 163.7 | -91.6 | -50.5 | 0 | 0 | 0 | 108.5 | ||||
| 428 | P | 36.2 | Very low | 30.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | -142.2 | 148.1 | 94.8 | 37 | -22.2 | 0 | 0 | 0 | 115.9 | |||||
| 429 | N | 27.8 | Very low | 30.2 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -58.4 | 172.3 | 157.9 | -73.3 | -55.6 | 0 | 0 | 0 | 111.9 | ||||
| 430 | Y | 27.7 | Very low | 29.9 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | -151.9 | 156.8 | 113.1 | -97.7 | -61.8 | 0 | 0 | 0 | 112.9 | |||||
| 431 | Q | 28.7 | Very low | 29.7 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -111.2 | 150 | -172.3 | -78.1 | -174.4 | -23.2 | 0 | 0 | 112.8 | ||||
| 432 | L | 27 | Very low | 30 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 42.9 | 122.5 | 133.9 | -59.7 | 171 | 0 | 0 | 0 | 121.5 | ||||
| 433 | S | 26.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 85.3 | 173.6 | 128.2 | 89.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 434 | P | 45.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -141 | -166 | -114.3 | 29 | -0.8 | 0 | 0 | 0 | 116.3 | |||||
| 435 | V | 26.3 | Very low | 30 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 96.4 | 129 | 151.5 | -174.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 436 | K | 25.3 | Very low | 30.1 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | 79.9 | 108.4 | 157.3 | -80.1 | 159.9 | -162.8 | 171 | 0 | 122.5 | ||||
| 437 | F | 34.9 | Very low | 30.3 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | 20 | 140.3 | 120.5 | -58.4 | -68.8 | 0 | 0 | 0 | 120.2 | |||||
| 438 | P | 34.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -143.3 | -176.7 | 79.8 | 39.5 | -22.4 | 0 | 0 | 0 | 117.1 | |||||
| 439 | A | 25.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -92.9 | 161.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 440 | A | 27 | Very low | 30.8 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -157.5 | 90.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 441 | N | 26.5 | Very low | 31 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 33.6 | 118.3 | 130.7 | -167.7 | 5.5 | 0 | 0 | 0 | 121.7 | ||||
| 442 | R | 33.3 | Very low | 31.2 | Very low | 240 Ų | 240 | 143.2 Ų | 143.2 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | -171.9 | 155.3 | 127.1 | -102.8 | 170.8 | -150 | -97.2 | 3.7 | 113.2 | |||||
| 443 | N | 27 | Very low | 31.4 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -100.6 | 153.2 | -170.7 | -59.3 | -10.1 | 0 | 0 | 0 | 114.6 | ||||
| 444 | K | 33.3 | Very low | 31.5 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -165 | 121.3 | 131.5 | -98.2 | 170.4 | -179.4 | -176 | 0 | 106.4 | ||||
| 445 | D | 30.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | 65 | 123 | 71.3 | -61.2 | -44.2 | 0 | 0 | 0 | 111.7 | |||||
| 446 | W | 30.4 | Very low | 31.3 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | cis | -163.8 | 135 | 11.4 | 179.8 | -101 | 0 | 0 | 0 | 111.9 | ||||
| 447 | T | 30.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | 63.4 | 162.8 | 158.5 | 59.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 448 | S | 37.3 | Very low | 31.5 | Very low | 86 Ų | 86 | 145.1 Ų | 145.1 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | cis | -161.7 | 165.6 | -6.2 | -118.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 449 | Q | 34 | Very low | 31.2 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -153.2 | 150.7 | 2.4 | -142.8 | 151.5 | -25.7 | 0 | 0 | 112.1 | ||||
| 450 | Q | 35 | Very low | 31.5 | Very low | 132 Ų | 132 | 153 Ų | 153 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | trans | 10.2 | 153.2 | 142.2 | -56.7 | 171.6 | -86.1 | 0 | 0 | 120.2 | ||||
| 451 | Q | 32.1 | Very low | 32 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -165.6 | 148.7 | 13.1 | -129.9 | 153.2 | -11.3 | 0 | 0 | 107.5 | ||||
| 452 | Q | 31.8 | Very low | 32.7 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 50.3 | 133.4 | 57.6 | -69.5 | -164.7 | 4 | 0 | 0 | 113.8 | |||||
| 453 | Q | 31 | Very low | 32.5 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | cis | -170.6 | -171.3 | 9 | -129.5 | -178.2 | 10.6 | 0 | 0 | 110.4 | ||||
| 454 | T | 29.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | trans | 81.6 | 174.6 | 161.1 | 76.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 455 | S | 32 | Very low | 32.5 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -155.8 | 179.2 | -153.8 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 456 | I | 35.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 79.5 | 104.4 | 164.8 | -57.9 | 160.2 | 0 | 0 | 0 | 117.7 | ||||
| 457 | K | 31.1 | Very low | 32.6 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | -168.6 | 150.4 | 113.7 | -113.5 | 151.9 | -173.7 | 172.5 | 0 | 113.7 | |||||
| 458 | N | 33.5 | Very low | 32.3 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -97.5 | 153.9 | 174.9 | -65.4 | -47.2 | 0 | 0 | 0 | 111.3 | ||||
| 459 | Y | 28.7 | Very low | 31.9 | Very low | 210 Ų | 210 | 158.1 Ų | 158.1 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 174.2 | 132.7 | 147.6 | -97.6 | -68 | 0 | 0 | 0 | 106.1 | ||||
| 460 | F | 30.9 | Very low | 31.7 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | cis | -132.8 | 166.8 | 14.2 | -88.9 | -96.2 | 0 | 0 | 0 | 112.9 | ||||
| 461 | Q | 37.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -145.5 | 149.2 | 161.4 | -169 | -177.1 | 30.1 | 0 | 0 | 108.8 | ||||
| 462 | P | 41.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -127.8 | 149.2 | 146 | 11 | 10.6 | 0 | 0 | 0 | 112.8 | ||||
| 463 | C | 29.7 | Very low | 31.4 | Very low | 82 Ų | 82 | 161.3 Ų | 161.3 | 55% | 0.554 | 78% | 0.784 | S | S | * | * | trans | -125.7 | 154.6 | -177.4 | -45.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 464 | T | 29 | Very low | 31.7 | Very low | 141 Ų | 141 | 160.2 Ų | 160.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 119.7 | 143.9 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 465 | K | 32.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | 84.1 | 96.7 | 50.5 | -77 | -168.2 | 173.5 | -178.4 | 0 | 114.8 | |||||
| 466 | K | 31.2 | Very low | 31.6 | Very low | 216 Ų | 216 | 162.1 Ų | 162.1 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -172.1 | 173.6 | 132.4 | -104.7 | 173.6 | -177.2 | -174.7 | 0 | 111.6 | ||||
| 467 | R | 30 | Very low | 31.3 | Very low | 218 Ų | 218 | 159.2 Ų | 159.2 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -134.3 | -174.8 | 173.4 | -58.7 | -172.4 | 179.4 | 178.2 | -3.1 | 108.3 | ||||
| 468 | E | 25.8 | Very low | 31.2 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 52% | 0.523 | 79% | 0.789 | S | S | . | * | cis | -154.5 | 175.2 | 5.7 | -140.9 | 164.1 | 81.6 | 0 | 0 | 106 | ||||
| 469 | R | 27.9 | Very low | 31 | Very low | 194 Ų | 194 | 154 Ų | 154 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | cis | -152.9 | -175.3 | 12 | -175.7 | 171.5 | -76.6 | -161.6 | -2.7 | 108.8 | ||||
| 470 | D | 30.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -43 | 148.1 | 155.2 | -41.5 | -86.9 | 0 | 0 | 0 | 112.2 | ||||
| 471 | E | 31.2 | Very low | 31.1 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | -162.5 | 166.3 | 68.7 | -126 | 170.4 | -170.5 | 0 | 0 | 114.5 | |||||
| 472 | E | 28.7 | Very low | 30.6 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 61.4 | 157.4 | 160 | -61.1 | -156.3 | 124.5 | 0 | 0 | 123.7 | ||||
| 473 | N | 32.1 | Very low | 30 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -79 | 152.7 | 173.9 | -87.4 | -63.4 | 0 | 0 | 0 | 110.7 | ||||
| 474 | P | 38.3 | Very low | 30 | Very low | 129 Ų | 129 | 156.7 Ų | 156.7 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -153.7 | -168.6 | 74.4 | 41.3 | -19.7 | 0 | 0 | 0 | 116.6 | |||||
| 475 | A | 30.4 | Very low | 30 | Very low | 95 Ų | 95 | 158.8 Ų | 158.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 152.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 476 | M | 28 | Very low | 30 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | 169.6 | 159.9 | 157.8 | -88.9 | -90 | -73.2 | 0 | 0 | 106 | ||||
| 477 | S | 29.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | cis | -166.3 | 143 | -16.6 | 50.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 478 | S | 28.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -82.8 | 121.6 | 177.3 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 479 | S | 29.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -93.2 | 154.8 | 173.5 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 480 | K | 32.1 | Very low | 29.8 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -104.3 | 126.9 | -169 | -64 | 176.3 | 178.4 | 177.5 | 0 | 113.6 | ||||
| 481 | S | 29.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 161.2 | 143.1 | 94.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 482 | S | 27.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -163.8 | 128.5 | -14.8 | 32.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 483 | R | 27.8 | Very low | 29.7 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 117.5 | 177 | -173.5 | 172 | 179.3 | 124.4 | -2.2 | 110 | ||
| 484 | M | 30.6 | Very low | 29.4 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 139.7 | 167.1 | -73.1 | 160.2 | 55.1 | 0 | 0 | 109.9 | L486 | M484-L486 HydrophobicContact CE-CD2 4.41Š|
| 485 | E | 27 | Very low | 29 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 147.3 | 156 | -63.3 | -175.6 | 136.6 | 0 | 0 | 108.6 | ||
| 486 | L | 33 | Very low | 29.2 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -127.7 | 116.8 | 170.6 | -77.2 | 175.7 | 0 | 0 | 0 | 108.7 | M484 | M484-L486 HydrophobicContact CE-CD2 4.41Š| ||
| 487 | S | 27.6 | Very low | 28.9 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 143 | 177.1 | -45.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 488 | C | 27.7 | Very low | 28.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 92% | 0.919 | 82% | 0.817 | S | S | * | * | trans | -117.9 | 136.7 | 156.8 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 489 | S | 28.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -139.7 | 147.4 | 176.9 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 490 | L | 28.4 | Very low | 29 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | 159.3 | 129.5 | 106.2 | -166.7 | 71.5 | 0 | 0 | 0 | 112.1 | |||||
| 491 | L | 29.7 | Very low | 28.7 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | 61.4 | 161.2 | 162.7 | -98.2 | 59.1 | 0 | 0 | 0 | 117.2 | ||||
| 492 | E | 26.9 | Very low | 28.3 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | cis | -110.9 | 165.5 | 5 | -72.7 | -171.5 | 113.3 | 0 | 0 | 114.8 | ||||
| 493 | Q | 30.2 | Very low | 28.1 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -112.1 | 148.6 | 171 | -70.4 | -177.8 | -16.3 | 0 | 0 | 110.5 | ||||
| 494 | T | 25.8 | Very low | 27.9 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -142.9 | 135.7 | 151 | -51.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 495 | Q | 30.4 | Very low | 27.7 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -88.2 | 158 | -177.4 | -82.6 | -82.8 | -45 | 0 | 0 | 111.7 | ||||
| 496 | P | 34.3 | Very low | 27.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -87.3 | 163.7 | -168.9 | 35.7 | -36.3 | 0 | 0 | 0 | 113.9 | ||||
| 497 | A | 22.4 | Very low | 27 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | -124.9 | 147.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 498 | A | 24.6 | Very low | 27.2 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -148.2 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 499 | P | 38.9 | Very low | 27 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | -119.9 | 163.9 | -77.6 | 37.1 | -25.9 | 0 | 0 | 0 | 112.3 | |||||
| 500 | S | 25.9 | Very low | 26.8 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -110 | 103.1 | 173.8 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 501 | L | 24.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -72 | 145.4 | 173.6 | -173.8 | 87.1 | 0 | 0 | 0 | 112 | ||||
| 502 | W | 22.4 | Very low | 26.3 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 168.5 | 153 | 145.9 | -81.8 | -11.1 | 0 | 0 | 0 | 108.7 | ||||
| 503 | K | 24.1 | Very low | 26.8 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | cis | -166.5 | 167.2 | -11 | -109.6 | 168.6 | -177.7 | 162.6 | 0 | 105.3 | ||||
| 504 | S | 23.6 | Very low | 26.6 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | cis | -171.1 | 156 | 15.9 | -122.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 505 | K | 24.9 | Very low | 26.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 64.6 | 153 | 145.1 | -66.4 | 168.9 | 155.8 | -83.2 | 0 | 118.4 | ||||
| 506 | E | 24.3 | Very low | 26.6 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | cis | -151.7 | 167.3 | -12 | -122.8 | 150 | -179.1 | 0 | 0 | 112 | ||||
| 507 | H | 21.6 | Very low | 26.3 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -81.4 | -175.1 | 173.3 | -62.4 | -68.7 | 0 | 0 | 0 | 110.7 | ||||
| 508 | P | 32.9 | Very low | 26.7 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -150 | -179 | 13.5 | 41.2 | -18.6 | 0 | 0 | 0 | 119.5 | ||||
| 509 | S | 23.2 | Very low | 26.9 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 66.3 | 154.8 | 140.8 | 68.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 510 | Q | 23.8 | Very low | 26.4 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | cis | -162.5 | -166.6 | -17.6 | -117.4 | -173.4 | -12.5 | 0 | 0 | 109.9 | ||||
| 511 | S | 25.4 | Very low | 26.6 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 84.3 | 105.4 | 154 | 74.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 512 | E | 22 | Very low | 26.8 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -59.7 | 173.2 | 134.7 | -57.6 | -174.3 | 130.8 | 0 | 0 | 110.2 | ||||
| 513 | P | 37.5 | Very low | 27.1 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -154.6 | 174.9 | 25.5 | 46.8 | -25.6 | 0 | 0 | 0 | 120.4 | ||||
| 514 | V | 25.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 70.8 | 130.2 | 133.7 | 157.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 515 | D | 26.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | trans | 72 | 126.6 | 147.8 | -85.6 | -15.6 | 0 | 0 | 0 | 124.8 | ||||
| 516 | K | 31 | Very low | 27.8 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | 71.3 | 157.4 | 127 | -69.5 | -179.6 | 176.9 | 87.3 | 0 | 120.7 | |||||
| 517 | E | 27.2 | Very low | 28 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -174.3 | -177 | -18.9 | -179.4 | 155.6 | -137.4 | 0 | 0 | 108.4 | ||||
| 518 | A | 29.9 | Very low | 28.5 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 83.9 | 148.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 519 | D | 29.6 | Very low | 28.5 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | cis | -170.9 | 179.9 | -31.6 | -154.1 | -9.3 | 0 | 0 | 0 | 110.7 | ||||
| 520 | R | 27.9 | Very low | 29.1 | Very low | 225 Ų | 225 | 146.5 Ų | 146.5 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | 89.4 | 143.2 | 161.5 | -49.1 | -174.6 | -161.2 | -161.2 | 5.5 | 118.2 | ||||
| 521 | S | 30.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -166.8 | 119.1 | -23 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 522 | F | 29 | Very low | 29.1 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | 24.7 | 115.9 | 142.1 | -79.6 | -86.6 | 0 | 0 | 0 | 123.4 | ||||
| 523 | V | 28.9 | Very low | 29.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -145.8 | 150.1 | 139.1 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 524 | G | 27 | Very low | 28.9 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -154.7 | -100 | 5.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 525 | D | 27.2 | Very low | 28.9 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -140.8 | 166.2 | -156.9 | -157 | 18 | 0 | 0 | 0 | 116.3 | ||||
| 526 | R | 33 | Very low | 28.9 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | trans | -12 | 164.6 | 162.8 | -75.9 | 165.2 | -163.3 | -115.5 | 9.4 | 122.7 | ||||
| 527 | D | 28.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | cis | -159.6 | -172.2 | 2 | -132.9 | -48.7 | 0 | 0 | 0 | 113.2 | ||||
| 528 | I | 32.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | 97.8 | 138 | 158.9 | -48 | -165.7 | 0 | 0 | 0 | 117.8 | ||||
| 529 | K | 31.6 | Very low | 28.5 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -99.8 | 159.1 | -167 | -68.6 | 175 | 177 | 171.7 | 0 | 115 | ||||
| 530 | P | 35.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -79.7 | 153.8 | 159.6 | 35.1 | -35.3 | 0 | 0 | 0 | 112.9 | ||||
| 531 | N | 23.8 | Very low | 28.3 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -160.7 | 125.4 | 167.9 | 178.8 | 52.9 | 0 | 0 | 0 | 109.4 | ||||
| 532 | G | 26.6 | Very low | 28.3 | Very low | 60 Ų | 60 | 142.8 Ų | 142.8 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | cis | 156.2 | 168.1 | -7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 533 | K | 29.3 | Very low | 28 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 71.4 | 152.5 | 162.5 | -61.4 | 177.8 | -176.8 | 174.6 | 0 | 116.2 | ||||
| 534 | T | 25.2 | Very low | 28 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | cis | -169.3 | 145 | -11.9 | -101.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 535 | L | 26.2 | Very low | 28 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | 64.5 | 138.1 | 157.2 | -108.7 | 70.5 | 0 | 0 | 0 | 124.5 | ||||
| 536 | A | 25.1 | Very low | 28 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | 85.4 | 95.9 | 122.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 537 | S | 26 | Very low | 27.9 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | 80 | 145.6 | 110.1 | 82.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 538 | K | 28.2 | Very low | 27.8 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | 65.4 | 156.9 | 162.4 | -64 | 174.6 | -177.6 | 177.4 | 0 | 115.3 | ||||
| 539 | S | 26.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -162.2 | 156.6 | -26.1 | 46.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 540 | F | 28.2 | Very low | 27.7 | Very low | 210 Ų | 210 | 147 Ų | 147 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -61.7 | 140 | 174.8 | -76.2 | -86.5 | 0 | 0 | 0 | 112.5 | ||||
| 541 | S | 26.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -144.9 | 150.9 | 161.9 | -72.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 542 | I | 29 | Very low | 28.3 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -109.5 | 134.6 | -169 | -64.4 | 162.9 | 0 | 0 | 0 | 110 | ||||
| 543 | E | 23.6 | Very low | 28.6 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -153.7 | 158.5 | 141.8 | -130.9 | 172 | 172.7 | 0 | 0 | 112.9 | ||||
| 544 | N | 28.9 | Very low | 29.2 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -94.4 | 138.4 | -169.3 | -61.7 | -75.8 | 0 | 0 | 0 | 112.2 | ||||
| 545 | L | 27.3 | Very low | 29.8 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | -151.5 | 137.4 | 155.9 | -104.4 | 165.3 | 0 | 0 | 0 | 109.5 | ||||
| 546 | G | 27.1 | Very low | 30.5 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -74.8 | 161 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K548 | G546-K548 PolarHBondContact O-N 3.1Å; G546-K548 VanDerWaalsContact O-N 3.16Å | ||
| 547 | P | 29.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 108.3 | -177.8 | 29.5 | -34.2 | 0 | 0 | 0 | 111.9 | ||||
| 548 | K | 27.9 | Very low | 32.7 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -62.3 | 147.1 | 158 | -65.1 | 178.7 | 179.1 | 179.2 | 0 | 109 | G546 R550 | G546-K548 PolarHBondContact O-N 3.1Å; G546-K548 VanDerWaalsContact O-N 3.16Å; K548-R550 PolarHBondContact O-N 2.99Å | ||
| 549 | K | 33.7 | Very low | 33.4 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | trans | -48.9 | 129.6 | 167.5 | -77.6 | -172.8 | 173.7 | -173.7 | 0 | 109.5 | ||||
| 550 | R | 28.4 | Very low | 34.4 | Very low | 222 Ų | 222 | 145 Ų | 145 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -106.9 | 117.8 | 163.7 | -73.1 | -175 | 175.6 | 175.6 | -1.6 | 108.1 | K548 I552 | K548-R550 PolarHBondContact O-N 2.99Å; R550-I552 HydrophobicContact CB-CG1 4.33Å | ||
| 551 | T | 40.3 | Very low | 35.2 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 133.4 | 157.6 | -42.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 552 | I | 32.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -135.6 | 102.7 | 171.5 | -59.8 | -179 | 0 | 0 | 0 | 106.8 | R550 | R550-I552 HydrophobicContact CB-CG1 4.33Š| ||
| 553 | D | 32.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 140 Ų | 140 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | trans | 35.8 | 89.5 | 144.5 | -45.5 | -30.9 | 0 | 0 | 0 | 118.5 | A555 I556 | D553-A555 VanDerWaalsContact C-N 3.34Å; D553-I556 HydrophobicContact CB-CD1 4.16Å; D553-I556 HydrophobicContact CB-CG1 4.47Å | ||
| 554 | L | 41.1 | Very low | 37.3 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -81 | -13 | 160.8 | -72 | 169.3 | 0 | 0 | 0 | 113.1 | I556 E557 | L554-I556 PolarHBondContact O-N 2.82Å; L554-E557 PolarHBondContact O-N 3.46Å |
| 555 | A | 38.9 | Very low | 37.9 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -63.3 | -24.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D553 E557 E558 E559 | D553-A555 VanDerWaalsContact C-N 3.34Å; A555-E557 VanDerWaalsContact C-N 3.32Å; A555-E557 PolarHBondContact O-N 2.88Å; A555-E558 PolarHBondContact O-N 2.91Å; A555-E559 PolarHBondContact O-N 2.89Å |
| 556 | I | 40.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 55% | 0.554 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73 | -26.2 | -178 | -58.7 | 172.5 | 0 | 0 | 0 | 111.4 | D553 L554 V560 | D553-I556 HydrophobicContact CB-CD1 4.16Å; D553-I556 HydrophobicContact CB-CG1 4.47Å; L554-I556 PolarHBondContact O-N 2.82Å; I556-V560 WeakPolarHBondContact O-CG2 3.2Å |
| 557 | E | 46.4 | Very low | 39 | Very low | 148 Ų | 148 | 135 Ų | 135 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79 | -21.3 | 176.5 | -62.6 | -171.2 | 154.1 | 0 | 0 | 112.5 | L554 A555 L561 | L554-E557 PolarHBondContact O-N 3.46Å; A555-E557 VanDerWaalsContact C-N 3.32Å; A555-E557 PolarHBondContact O-N 2.88Å; E557-L561 WeakPolarHBondContact O-CB 3.27Å; E557-L561 PolarHBondContact O-N 3.37Å |
| 558 | E | 50 | Low | 39.2 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.1 | -42.8 | -179.6 | -165.5 | 161.2 | -141.7 | 0 | 0 | 111.7 | A555 V560 L561 E562 | A555-E558 PolarHBondContact O-N 2.91Å; E558-V560 PolarHBondContact O-N 2.98Å; E558-L561 PolarHBondContact O-N 2.94Å; E558-L561 VanDerWaalsContact O-N 3.14Å; E558-E562 PolarHBondContact O-N 3.17Å; E558-E562 VanDerWaalsContact O-N 3.11Å |
| 559 | E | 43.7 | Very low | 39.5 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.2 | -42.5 | 175.3 | -171.7 | 171.3 | -156 | 0 | 0 | 112 | A555 L561 E562 E563 | A555-E559 PolarHBondContact O-N 2.89Å; E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.21Å; E559-E562 PolarHBondContact O-N 3.2Å; E559-E563 PolarHBondContact O-N 2.9Å |
| 560 | V | 48.2 | Very low | 39.3 | Very low | 82 Ų | 82 | 130 Ų | 130 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -66.3 | -30.1 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | I556 E558 L564 | I556-V560 WeakPolarHBondContact O-CG2 3.2Å; E558-V560 PolarHBondContact O-N 2.98Å; V560-L564 HydrophobicContact CG1-CD1 4.44Å; V560-L564 PolarHBondContact O-N 3.27Å |
| 561 | L | 43.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 56% | 0.555 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.1 | -36.2 | 179.3 | -170.8 | 60.8 | 0 | 0 | 0 | 112.1 | E557 E558 E559 L565 | E557-L561 WeakPolarHBondContact O-CB 3.27Å; E557-L561 PolarHBondContact O-N 3.37Å; E558-L561 PolarHBondContact O-N 2.94Å; E558-L561 VanDerWaalsContact O-N 3.14Å; E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.21Å; L561-L565 WeakPolarHBondContact O-CG 3.33Å; L561-L565 PolarHBondContact O-N 3.31Å; L561-L565 VanDerWaalsContact O-N 3.14Å |
| 562 | E | 45.3 | Very low | 38.6 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 55% | 0.547 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.3 | -40.4 | 171.3 | -90.7 | -150 | -155.8 | 0 | 0 | 113.2 | E558 E559 L564 L565 K566 | E558-E562 PolarHBondContact O-N 3.17Å; E558-E562 VanDerWaalsContact O-N 3.11Å; E559-E562 PolarHBondContact O-N 3.2Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 3.27Å; E562-L565 PolarHBondContact O-N 3.46Å; E562-K566 PolarHBondContact O-N 3.09Å; E562-K566 IonicContact OE2-NZ 2.88Å; E562-K566 PolarHBondContact OE2-NZ 3.25Å |
| 563 | E | 40.3 | Very low | 38.3 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.2 | -35.7 | 179.1 | -165.8 | 171.2 | -137.7 | 0 | 0 | 111.5 | E559 | E559-E563 PolarHBondContact O-N 2.9Å |
| 564 | L | 37.6 | Very low | 38.1 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64 | -42.9 | 170.7 | -88.5 | 164.5 | 0 | 0 | 0 | 112.9 | V560 E562 K566 S567 | V560-L564 HydrophobicContact CG1-CD1 4.44Å; V560-L564 PolarHBondContact O-N 3.27Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 3.27Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.16Å; L564-S567 WeakPolarHBondContact O-CB 3.5Å; L564-S567 PolarHBondContact O-N 2.94Å; L564-S567 VanDerWaalsContact O-N 3.1Å; L564-S567 PolarHBondContact O-OG 2.86Å |
| 565 | L | 41.6 | Very low | 37.4 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.1 | -31.6 | -178.4 | -74.9 | 167.1 | 0 | 0 | 0 | 113.1 | L561 E562 S567 | L561-L565 WeakPolarHBondContact O-CG 3.33Å; L561-L565 PolarHBondContact O-N 3.31Å; L561-L565 VanDerWaalsContact O-N 3.14Å; E562-L565 PolarHBondContact O-N 3.46Å; L565-S567 PolarHBondContact O-N 3.35Å |
| 566 | K | 41.8 | Very low | 36.7 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -5.4 | 174.7 | -74.1 | 164.4 | -175.8 | 137.3 | 0 | 114 | E562 L564 | E562-K566 PolarHBondContact O-N 3.09Å; E562-K566 IonicContact OE2-NZ 2.88Å; E562-K566 PolarHBondContact OE2-NZ 3.25Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.16Å |
| 567 | S | 35.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -2.7 | -174.1 | 76.7 | 0 | 0 | 0 | 0 | 115.8 | L564 L565 | L564-S567 WeakPolarHBondContact O-CB 3.5Å; L564-S567 PolarHBondContact O-N 2.94Å; L564-S567 VanDerWaalsContact O-N 3.1Å; L564-S567 PolarHBondContact O-OG 2.86Å; L565-S567 PolarHBondContact O-N 3.35Å |
| 568 | T | 34.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -131.8 | 80.1 | -170.4 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 569 | E | 33.6 | Very low | 33.7 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | trans | -106.4 | 137.3 | 157.9 | -73.5 | -159.2 | 155.2 | 0 | 0 | 110.5 | ||||
| 570 | P | 30 | Very low | 32.8 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | -93.1 | 117.1 | 175 | 33.5 | -30.3 | 0 | 0 | 0 | 112.2 | M572 | P570-M572 PolarHBondContact O-N 2.86Š| ||
| 571 | E | 25.6 | Very low | 31.8 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 124.7 | 165 | -71.9 | -169.1 | 112.1 | 0 | 0 | 110.9 | ||||
| 572 | M | 28.6 | Very low | 31 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | 169.3 | 117.9 | 106.3 | -87.8 | -161 | 79.3 | 0 | 0 | 111.9 | P570 V574 | P570-M572 PolarHBondContact O-N 2.86Å; M572-V574 HydrophobicContact CE-CG2 3.57Å | |||
| 573 | A | 26.6 | Very low | 30 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 80.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q575 | A573-Q575 PolarHBondContact O-N 3.4Š| ||
| 574 | V | 26.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -79.3 | 107.1 | -179.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | M572 V576 | M572-V574 HydrophobicContact CE-CG2 3.57Å; V574-V576 HydrophobicContact CG1-CG2 4.36Å | ||
| 575 | Q | 26.7 | Very low | 28.8 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -113.1 | 111.6 | 161.8 | -81 | -169 | -3.9 | 0 | 0 | 110.6 | A573 K577 | A573-Q575 PolarHBondContact O-N 3.4Å; Q575-K577 PolarHBondContact O-N 2.81Å | ||
| 576 | V | 24.3 | Very low | 28 | Very low | 129 Ų | 129 | 148 Ų | 148 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 121.4 | 172.7 | 177 | 0 | 0 | 0 | 0 | 109.1 | V574 V578 | V574-V576 HydrophobicContact CG1-CG2 4.36Å; V576-V578 HydrophobicContact CG1-CG2 4.38Å | ||
| 577 | K | 23.8 | Very low | 27.4 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -117.2 | 110.9 | 173.6 | -161 | 174.9 | -174 | 179.8 | 0 | 109 | Q575 E579 | Q575-K577 PolarHBondContact O-N 2.81Å; K577-E579 PolarHBondContact O-N 2.96Å | ||
| 578 | V | 25.4 | Very low | 26.9 | Very low | 131 Ų | 131 | 152 Ų | 152 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 116.3 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | V576 | V576-V578 HydrophobicContact CG1-CG2 4.38Š|
| 579 | E | 24.5 | Very low | 26.5 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 141.8 | 170.9 | -172.1 | 160.4 | -151.2 | 0 | 0 | 110.6 | K577 | K577-E579 PolarHBondContact O-N 2.96Š|
| 580 | K | 26.2 | Very low | 26.3 | Very low | 185 Ų | 185 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 134.1 | 175.3 | -70.2 | -178.8 | 176.9 | -179.2 | 0 | 109.7 | ||
| 581 | Q | 26 | Very low | 26.9 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -107.3 | 143 | 154.8 | -71.4 | -174.8 | -15.5 | 0 | 0 | 109.3 | ||||
| 582 | E | 25.8 | Very low | 26.9 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -104.4 | 172.3 | -178.8 | -72.2 | -162.5 | 136.7 | 0 | 0 | 112.3 | ||||
| 583 | A | 25.6 | Very low | 27 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 72.6 | 109.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 584 | D | 25.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | -151.5 | 170.4 | 111.3 | -164.9 | 22.5 | 0 | 0 | 0 | 111.9 | |||||
| 585 | V | 28.2 | Very low | 27.5 | Very low | 126 Ų | 126 | 157.8 Ų | 157.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 80 | 125.1 | 164.8 | -163.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 586 | S | 24.4 | Very low | 27.7 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -125.3 | 159.9 | -180 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 587 | V | 28.4 | Very low | 27.9 | Very low | 115 Ų | 115 | 157.9 Ų | 157.9 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 116.6 | 158.2 | 178.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 588 | R | 25.8 | Very low | 28.1 | Very low | 210 Ų | 210 | 153.5 Ų | 153.5 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | -178.7 | 142.7 | 66.6 | -134.6 | 151.2 | -153.8 | -174.9 | 5 | 113.9 | |||||
| 589 | K | 26.4 | Very low | 28.3 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 109.5 | 148.9 | -70.9 | 168 | -179 | -175.2 | 0 | 123.1 | ||||
| 590 | K | 28.4 | Very low | 28.5 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | 32.9 | 159.9 | 108.1 | -79.3 | -165.8 | 177.7 | -172 | 0 | 121.6 | |||||
| 591 | P | 41.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -147.7 | 173.1 | -26.4 | 40.9 | -22.6 | 0 | 0 | 0 | 117.4 | ||||
| 592 | R | 27.2 | Very low | 29 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | 146.9 | 129.8 | 147.1 | -83.8 | 168.1 | 176.9 | 175.2 | -0.8 | 109 | ||||
| 593 | M | 29.3 | Very low | 29.1 | Very low | 155 Ų | 155 | 144 Ų | 144 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | 65.6 | 130 | 63.9 | -67.1 | 176.7 | 71.4 | 0 | 0 | 112.1 | |||||
| 594 | D | 29.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -159.3 | 170.3 | 22.2 | -123.8 | -21.2 | 0 | 0 | 0 | 114.1 | ||||
| 595 | V | 35 | Very low | 29.4 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 60.3 | 128.2 | 149.7 | 165.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 596 | E | 31.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | cis | -166.9 | -166.4 | -9.4 | -134 | -157.4 | 108.7 | 0 | 0 | 106.7 | ||||
| 597 | R | 28.1 | Very low | 30.6 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | cis | -148.9 | 168.9 | 9.2 | 179.1 | 156.3 | -70.7 | 161.2 | 5.3 | 110.4 | ||||
| 598 | N | 28.8 | Very low | 30.6 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | trans | -55.5 | 171.5 | 170.9 | -52 | -35 | 0 | 0 | 0 | 115.4 | Y600 | N598-Y600 HydrophobicContact CB-CD2 4.3Š| ||
| 599 | S | 28.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -157.9 | 139.7 | 19.7 | -3.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 600 | Y | 28.6 | Very low | 30.9 | Very low | 196 Ų | 196 | 144.3 Ų | 144.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 88.9 | 120.1 | 56.2 | -86.8 | -60.8 | 0 | 0 | 0 | 116.1 | N598 | N598-Y600 HydrophobicContact CB-CD2 4.3Š| |||
| 601 | L | 33.1 | Very low | 30.9 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | 93.8 | 111.3 | 148.3 | -60.9 | 164.3 | 0 | 0 | 0 | 122 | ||||
| 602 | N | 29.5 | Very low | 30.3 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | 68.5 | 141 | 124.9 | -61.4 | 7.9 | 0 | 0 | 0 | 123.1 | |||||
| 603 | G | 27.8 | Very low | 30.2 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 152.7 | 93.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 604 | D | 28.9 | Very low | 30.1 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 138.7 | 168.9 | -63.8 | -70.9 | 0 | 0 | 0 | 111.8 | ||||
| 605 | M | 27.9 | Very low | 30 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 89% | 0.892 | 75% | 0.753 | S | S | * | * | trans | -169.9 | 136.5 | 131.7 | -107.6 | 171.4 | 65.6 | 0 | 0 | 113.1 | ||||
| 606 | V | 35.4 | Very low | 29.8 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | -105.6 | 144.6 | 168 | -175.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 607 | P | 42.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | -154.3 | 167.8 | 53.1 | 46.4 | -25.6 | 0 | 0 | 0 | 120.2 | |||||
| 608 | E | 28.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 48.4 | 114.8 | 131 | -169.1 | 169.8 | -140.1 | 0 | 0 | 121.3 | ||||
| 609 | S | 29.2 | Very low | 29.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 174.2 | 139.9 | 107.5 | 47.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 610 | N | 28.4 | Very low | 29.7 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 32.3 | 124.1 | 142.2 | -77.6 | -56.5 | 0 | 0 | 0 | 124.2 | ||||
| 611 | R | 28.8 | Very low | 29.7 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 85.9 | 117.8 | 131.2 | -69.3 | 175.7 | -176.3 | -157.7 | -0.8 | 122.1 | ||||
| 612 | I | 28.6 | Very low | 29.3 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | 59.4 | 119.7 | 126.2 | -54 | 165.1 | 0 | 0 | 0 | 118.6 | |||||
| 613 | T | 25.5 | Very low | 29.2 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -139.6 | 154 | 148.2 | -28.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 614 | Q | 27 | Very low | 29.1 | Very low | 141 Ų | 141 | 146 Ų | 146 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | trans | -148.4 | 142.4 | -171.9 | 170 | 178.7 | -9.9 | 0 | 0 | 108.7 | ||||
| 615 | E | 28.6 | Very low | 28.9 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 63.6 | 160.2 | 170.3 | -76.4 | 154.8 | -145.3 | 0 | 0 | 117 | ||||
| 616 | D | 30.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | cis | -172.9 | 165.1 | -39.3 | -119 | 41.2 | 0 | 0 | 0 | 106.4 | ||||
| 617 | E | 33.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | cis | -155.7 | 173.3 | -8.1 | -154.4 | -75.3 | 100.4 | 0 | 0 | 105.1 | E619 | E617-E619 VanDerWaalsContact CD-N 3.33Å; E617-E619 PolarHBondContact OE1-N 2.75Å; E617-E619 VanDerWaalsContact OE1-N 3.09Å; E617-E619 PolarHBondContact OE2-N 2.7Å | ||
| 618 | T | 26.9 | Very low | 27.4 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | trans | -175.7 | 103.7 | 131.4 | 21.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 619 | E | 27.1 | Very low | 27.2 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | trans | 42.5 | 114.4 | 139.9 | -58.4 | -163.5 | 135.7 | 0 | 0 | 121.4 | E617 | E617-E619 VanDerWaalsContact CD-N 3.33Å; E617-E619 PolarHBondContact OE1-N 2.75Å; E617-E619 VanDerWaalsContact OE1-N 3.09Å; E617-E619 PolarHBondContact OE2-N 2.7Å | ||
| 620 | K | 28.4 | Very low | 26.9 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | 178.5 | 124.3 | 101.7 | -96.2 | 150.2 | -159.9 | 84.6 | 0 | 116.3 | |||||
| 621 | K | 27.5 | Very low | 26.7 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | 24.2 | 149.9 | 129.3 | -72.6 | -172.2 | 177.1 | -178.7 | 0 | 121.9 | |||||
| 622 | V | 25.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | cis | -179.5 | 139.6 | -23.4 | 107.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 623 | E | 26.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | 59.3 | 165.1 | 154.8 | -68.3 | -175.1 | 132.7 | 0 | 0 | 120.1 | ||||
| 624 | L | 25.8 | Very low | 26.4 | Very low | 121 Ų | 121 | 149 Ų | 149 | 63% | 0.634 | 73% | 0.726 | S | S | * | * | cis | -158.3 | 162.7 | -8.1 | -118.6 | 165.6 | 0 | 0 | 0 | 110.5 | ||||
| 625 | N | 24.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | 68.3 | 144.3 | 151.8 | -74.2 | -30.1 | 0 | 0 | 0 | 123.5 | ||||
| 626 | R | 24.2 | Very low | 26.2 | Very low | 210 Ų | 210 | 150.2 Ų | 150.2 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | 134.4 | 108.9 | 130.9 | -154.7 | 175.7 | -160.9 | 174.2 | 3.5 | 111.5 | L628 | R626-L628 HydrophobicContact CG-CD1 4.21Š| ||
| 627 | E | 25.4 | Very low | 26 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | cis | 83.6 | 151.6 | 47.4 | -164.8 | -165.2 | -126 | 0 | 0 | 113.6 | ||||
| 628 | L | 26.2 | Very low | 25.7 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 57% | 0.565 | 75% | 0.746 | S | S | * | * | trans | 85.1 | 129.6 | -179.9 | -61.2 | 107.7 | 0 | 0 | 0 | 115.4 | R626 | R626-L628 HydrophobicContact CG-CD1 4.21Š| ||
| 629 | L | 23.4 | Very low | 25.8 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | cis | 86.6 | 114 | 33.1 | -163.2 | -177.7 | 0 | 0 | 0 | 112 | ||||
| 630 | W | 23.1 | Very low | 25.9 | Very low | 252 Ų | 252 | 149 Ų | 149 | 96% | 0.955 | 75% | 0.749 | S | S | * | * | trans | -126.2 | 145.1 | 166.4 | -97 | -68.5 | 0 | 0 | 0 | 112.3 | ||||
| 631 | S | 24.6 | Very low | 26 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -141.5 | 141.9 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 632 | T | 23.4 | Very low | 26.2 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 25.5 | 119.3 | 162 | -30 | 0 | 0 | 0 | 0 | 120 | ||||
| 633 | K | 25.8 | Very low | 27 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | -151.5 | 152.6 | 125.7 | -145.4 | 179.4 | 176.5 | -168.1 | 0 | 112.6 | |||||
| 634 | D | 25.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | -78 | 151.3 | -177.4 | -33.3 | -102.4 | 0 | 0 | 0 | 113.1 | ||||
| 635 | E | 24.9 | Very low | 27.9 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | -169.4 | -175.2 | 109.7 | -105.5 | 177 | 178.1 | 0 | 0 | 111.4 | |||||
| 636 | T | 26.5 | Very low | 28.8 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -129.3 | 163.5 | -150.6 | 55.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 637 | V | 27.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 92.5 | 135.4 | 146.9 | 151.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 638 | N | 27.1 | Very low | 31.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 75.1 | 105.2 | 159.2 | -79.6 | 10.1 | 0 | 0 | 0 | 123.8 | ||||
| 639 | S | 29.2 | Very low | 32.8 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | 87.5 | 147.2 | 105.8 | -60.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 640 | D | 28.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 84.4 | 111.4 | 152.6 | -57.6 | -17.5 | 0 | 0 | 0 | 122.7 | ||||
| 641 | E | 30.6 | Very low | 35.8 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 57.4 | 98.4 | 137.5 | -56 | -161.2 | 131.1 | 0 | 0 | 123.2 | ||||
| 642 | L | 31.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 63.6 | 165 | 123.1 | -64.9 | 174.2 | 0 | 0 | 0 | 120.9 | |||||
| 643 | P | 41.9 | Very low | 39 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -121.2 | 152.8 | -30 | 35 | -21.4 | 0 | 0 | 0 | 112.6 | ||||
| 644 | D | 32.3 | Very low | 40 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -101.4 | 117 | 174.1 | -172.2 | 13.3 | 0 | 0 | 0 | 112.2 | S646 | D644-S646 PolarHBondContact O-N 3.07Å; D644-S646 VanDerWaalsContact O-N 3.17Å | ||
| 645 | S | 39 | Very low | 41.3 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -86.9 | 78.7 | -172.6 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 646 | S | 42.9 | Very low | 42.7 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | trans | -100.2 | 40.2 | -177.5 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | D644 Q648 | D644-S646 PolarHBondContact O-N 3.07Å; D644-S646 VanDerWaalsContact O-N 3.17Å; S646-Q648 PolarHBondContact O-N 2.97Å | ||
| 647 | E | 47 | Very low | 44 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -87.9 | 95.8 | 168.8 | -70.6 | -160.3 | 155.8 | 0 | 0 | 111.7 | ||||
| 648 | Q | 57 | Low | 45.5 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | 165.8 | 69.1 | 143.2 | -89.5 | 159.8 | 22.5 | 0 | 0 | 111.1 | S646 | S646-Q648 PolarHBondContact O-N 2.97Š| ||
| 649 | L | 55.3 | Low | 46.7 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -128.4 | 132.9 | 161 | -71.2 | 175.7 | 0 | 0 | 0 | 108.8 | R651 | L649-R651 PolarHBondContact O-N 3.37Š|
| 650 | P | 54.9 | Low | 48 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 102.5 | -177.4 | 27.3 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 651 | R | 54.8 | Low | 49.1 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -89.3 | 139.7 | 174.3 | -60.6 | 179.3 | -173.7 | 177.4 | 4.3 | 109.4 | L649 | L649-R651 PolarHBondContact O-N 3.37Š| ||
| 652 | K | 57.1 | Low | 50.1 | Low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | 86 | 45 | -174.1 | -49.4 | 171.8 | -177.6 | 174.5 | 0 | 116.9 | L654 | K652-L654 VanDerWaalsContact C-N 3.35Š| ||
| 653 | V | 58.1 | Low | 50.4 | Low | 125 Ų | 125 | 145.3 Ų | 145.3 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -76.6 | -20.4 | 169.5 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 654 | L | 47.6 | Very low | 50.6 | Low | 151 Ų | 151 | 144.7 Ų | 144.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -119.1 | 136.4 | 176.4 | -66.3 | 174.1 | 0 | 0 | 0 | 111.2 | K652 | K652-L654 VanDerWaalsContact C-N 3.35Š| ||
| 655 | L | 53.9 | Low | 51 | Low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -125.3 | 83.1 | -178.9 | -155.5 | 168.6 | 0 | 0 | 0 | 109.5 | E657 | L655-E657 PolarHBondContact O-N 3.5Š| ||
| 656 | T | 52.7 | Low | 50.8 | Low | 102 Ų | 102 | 144.6 Ų | 144.6 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -80.8 | 102.9 | -172.3 | -44.7 | 0 | 0 | 0 | 0 | 112.1 | F658 | T656-F658 HydrophobicContact CG2-CD2 4.26Å; T656-F658 HydrophobicContact CG2-CE2 3.68Å; T656-F658 HydrophobicContact CG2-CZ 3.83Å | ||
| 657 | E | 54 | Low | 50.5 | Low | 125 Ų | 125 | 146 Ų | 146 | 58% | 0.584 | 77% | 0.766 | S | S | * | * | trans | -93.8 | 112.8 | 173.7 | -167.3 | -173.9 | -159.1 | 0 | 0 | 111.9 | L655 R659 | L655-E657 PolarHBondContact O-N 3.5Å; E657-R659 HydrophobicContact CG-CG 4.13Å; E657-R659 PolarHBondContact O-N 3.04Å; E657-R659 IonicContact OE1-CZ 3.22Å; E657-R659 IonicContact OE1-NE 2.78Å; E657-R659 PolarHBondContact OE1-NE 3.32Å; E657-R659 IonicContact OE1-NH2 2.76Å; E657-R659 PolarHBondContact OE1-NH2 2.82Å; E657-R659 IonicContact OE2-CZ 3.66Å; E657-R659 IonicContact OE2-NE 3.95Å; E657-R659 PolarHBondContact OE2-NE 2.91Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 2.75Å | ||
| 658 | F | 60.5 | Low | 49.9 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -84 | 95.7 | 175.3 | -68.7 | -87.4 | 0 | 0 | 0 | 111.2 | T656 | T656-F658 HydrophobicContact CG2-CD2 4.26Å; T656-F658 HydrophobicContact CG2-CE2 3.68Å; T656-F658 HydrophobicContact CG2-CZ 3.83Å | ||
| 659 | R | 51.3 | Low | 48.9 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 70% | 0.698 | 76% | 0.76 | S | S | * | * | trans | -87.7 | 129.7 | 175.3 | -66.4 | -165.9 | 176.6 | -125.7 | -14 | 112.5 | E657 | E657-R659 HydrophobicContact CG-CG 4.13Å; E657-R659 PolarHBondContact O-N 3.04Å; E657-R659 IonicContact OE1-CZ 3.22Å; E657-R659 IonicContact OE1-NE 2.78Å; E657-R659 PolarHBondContact OE1-NE 3.32Å; E657-R659 IonicContact OE1-NH2 2.76Å; E657-R659 PolarHBondContact OE1-NH2 2.82Å; E657-R659 IonicContact OE2-CZ 3.66Å; E657-R659 IonicContact OE2-NE 3.95Å; E657-R659 PolarHBondContact OE2-NE 2.91Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 2.75Å | ||
| 660 | S | 56.7 | Low | 47.7 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -86 | 123.8 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | V662 | S660-V662 VanDerWaalsContact C-N 3.25Å; S660-V662 PolarHBondContact O-N 3.25Å | ||
| 661 | L | 51 | Low | 46.5 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -88.4 | 31.3 | -179.9 | -64.1 | 176.3 | 0 | 0 | 0 | 113.4 | V663 | L661-V663 PolarHBondContact O-N 3Š| ||
| 662 | V | 51.5 | Low | 45.3 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -87.3 | 104.6 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | S660 S664 | S660-V662 VanDerWaalsContact C-N 3.25Å; S660-V662 PolarHBondContact O-N 3.25Å; V662-S664 PolarHBondContact O-N 3.46Å | ||
| 663 | V | 39.2 | Very low | 44 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -70 | 113.9 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L661 | L661-V663 PolarHBondContact O-N 3Š| ||
| 664 | S | 45.5 | Very low | 42.7 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -89.6 | 114.9 | 174.3 | 50.1 | 0 | 0 | 0 | 0 | 111 | V662 S666 | V662-S664 PolarHBondContact O-N 3.46Å; S664-S666 PolarHBondContact O-N 3.4Å | ||
| 665 | N | 40.3 | Very low | 41.8 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 94.5 | 179.9 | -80.9 | -18.4 | 0 | 0 | 0 | 111.8 | T667 | N665-T667 PolarHBondContact O-N 2.94Å; N665-T667 PolarHBondContact O-OG1 3.42Å | ||
| 666 | S | 36 | Very low | 40.9 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 85.7 | 178 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | S664 S668 | S664-S666 PolarHBondContact O-N 3.4Å; S666-S668 PolarHBondContact O-N 2.65Å | ||
| 667 | T | 37.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -89.9 | 87.8 | 175.1 | -51 | 0 | 0 | 0 | 0 | 110.1 | N665 R669 | N665-T667 PolarHBondContact O-N 2.94Å; N665-T667 PolarHBondContact O-OG1 3.42Å; T667-R669 PolarHBondContact O-N 3.43Å; T667-R669 VanDerWaalsContact O-N 3.09Å | ||
| 668 | S | 34.1 | Very low | 38.7 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -62.6 | 109 | 175.2 | 56 | 0 | 0 | 0 | 0 | 111.2 | S666 | S666-S668 PolarHBondContact O-N 2.65Š| ||
| 669 | R | 34.6 | Very low | 38 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -109.3 | 113.8 | 167.6 | -88.5 | -173.6 | 165.4 | 134.1 | 0.5 | 110.1 | T667 L671 | T667-R669 PolarHBondContact O-N 3.43Å; T667-R669 VanDerWaalsContact O-N 3.09Å; R669-L671 PolarHBondContact O-N 3.11Å | ||
| 670 | N | 30.6 | Very low | 37.6 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -57.7 | 126 | 171.6 | -65.8 | -65 | 0 | 0 | 0 | 110.3 | ||||
| 671 | L | 29.7 | Very low | 37.3 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 128.7 | 167 | -90.5 | 164.6 | 0 | 0 | 0 | 109 | R669 | R669-L671 PolarHBondContact O-N 3.11Š| ||
| 672 | C | 30.4 | Very low | 37.3 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -128.5 | 107.4 | -179 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 673 | M | 28.8 | Very low | 37.4 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 77% | 0.768 | 80% | 0.803 | S | S | * | * | trans | 74.2 | 135.8 | 155.5 | -61.1 | -66 | -93.8 | 0 | 0 | 121.4 | ||||
| 674 | L | 30.6 | Very low | 38.2 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 65% | 0.654 | 80% | 0.803 | S | S | * | * | trans | 53.3 | 113.9 | 152.1 | -95.6 | 64.2 | 0 | 0 | 0 | 120.6 | ||||
| 675 | N | 29.6 | Very low | 38.9 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -100.9 | 134.5 | 135.5 | -77.9 | -38.5 | 0 | 0 | 0 | 108.1 | ||||
| 676 | D | 33.6 | Very low | 39.5 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -136.4 | 139.5 | 165.2 | -114.5 | -39.8 | 0 | 0 | 0 | 109.2 | ||||
| 677 | C | 29.8 | Very low | 40.4 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 95% | 0.946 | 81% | 0.812 | S | S | * | * | trans | -88.8 | 122.6 | -173.6 | -81.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 678 | G | 32.4 | Very low | 41.6 | Very low | 75 Ų | 75 | 162.6 Ų | 162.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -155.4 | 100.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 679 | Q | 44.3 | Very low | 42.7 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 8.9 | 121.2 | 161.8 | -68.8 | 178.9 | -19.4 | 0 | 0 | 121.4 | ||||
| 680 | L | 43.8 | Very low | 43.7 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | 32.7 | 112.9 | 129.8 | -65 | 170.9 | 0 | 0 | 0 | 120 | |||||
| 681 | K | 49.6 | Very low | 45.3 | Very low | 202 Ų | 202 | 158.9 Ų | 158.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | -154.1 | 132.2 | 127.9 | -107.1 | 142.8 | -171.3 | 169.9 | 0 | 111.3 | |||||
| 682 | N | 50.9 | Low | 46.2 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -100.3 | 103.8 | -164.9 | -175.1 | 0.3 | 0 | 0 | 0 | 112 | ||||
| 683 | F | 54.7 | Low | 47.7 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | -141 | 116.6 | 169.4 | -72.4 | -75.5 | 0 | 0 | 0 | 111 | K685 | F683-K685 PolarHBondContact O-N 3.14Š| ||
| 684 | K | 56 | Low | 49.3 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 102 | 174.4 | -74.6 | -177 | 177.3 | 177.9 | 0 | 110.8 | F686 | K684-F686 HydrophobicContact CB-CE2 4.38Š| ||
| 685 | K | 59.2 | Low | 50.9 | Low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -100.2 | 106.7 | 165.2 | -69.8 | -174.4 | 178.2 | -179.4 | 0 | 109.5 | F683 K687 | F683-K685 PolarHBondContact O-N 3.14Å; K685-K687 PolarHBondContact O-N 3.25Å | ||
| 686 | F | 53.4 | Low | 52.8 | Low | 193 Ų | 193 | 148.4 Ų | 148.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 95.3 | 176.5 | -70.2 | -89 | 0 | 0 | 0 | 110.6 | K684 | K684-F686 HydrophobicContact CB-CE2 4.38Š| ||
| 687 | K | 55.4 | Low | 54.3 | Low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 114.9 | 172.1 | -165.9 | 175.8 | -175.7 | -178.5 | 0 | 108.8 | K685 V689 | K685-K687 PolarHBondContact O-N 3.25Å; K687-V689 PolarHBondContact O-N 3.14Å | ||
| 688 | K | 61.1 | Low | 56 | Low | 202 Ų | 202 | 147 Ų | 147 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 108.2 | 176.7 | -172.2 | 175.1 | -177.3 | 177.7 | 0 | 109.2 | ||||
| 689 | V | 58.4 | Low | 57.9 | Low | 128 Ų | 128 | 151.2 Ų | 151.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 129.2 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | K687 F691 | K687-V689 PolarHBondContact O-N 3.14Å; V689-F691 PolarHBondContact O-N 3.34Å |
| 690 | M | 55.8 | Low | 59.3 | Low | 141 Ų | 141 | 149 Ų | 149 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 123 | 169.1 | -70.4 | 175.7 | 67.4 | 0 | 0 | 108.4 | A694 | M690-A694 HydrophobicContact CB-CB 4.24Å; M690-A694 HydrophobicContact CE-CB 3.72Å; M690-A694 VanDerWaalsContact CE-O 3.3Å; M690-A694 WeakPolarHBondContact CE-O 3.39Å |
| 691 | F | 64 | Low | 60.5 | Low | 149 Ų | 149 | 147.3 Ų | 147.3 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 153.1 | 177.3 | 55.1 | -91.8 | 0 | 0 | 0 | 111 | V689 G693 A694 | V689-F691 PolarHBondContact O-N 3.34Å; F691-G693 PolarHBondContact O-N 3.41Å; F691-G693 VanDerWaalsContact O-N 3.17Å; F691-A694 HydrophobicContact CE2-CB 4.44Å; F691-A694 HydrophobicContact CZ-CB 4.48Å; F691-A694 PolarHBondContact O-N 3.46Å; F691-A694 VanDerWaalsContact O-N 3.15Å |
| 692 | P | 48.8 | Very low | 61.6 | Low | 138 Ų | 138 | 138.9 Ų | 138.9 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 120.9 | 172 | -23.1 | 34.2 | 0 | 0 | 0 | 110.4 | ||
| 693 | G | 61 | Low | 62.4 | Low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.4 | -13.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F691 G695 | F691-G693 PolarHBondContact O-N 3.41Å; F691-G693 VanDerWaalsContact O-N 3.17Å; G693-G695 PolarHBondContact O-N 3.47Å |
| 694 | A | 62 | Low | 63.1 | Low | 47 Ų | 47 | 132.3 Ų | 132.3 | 39% | 0.388 | 72% | 0.718 | S | S | . | * | trans | -78.2 | 34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M690 F691 | M690-A694 HydrophobicContact CB-CB 4.24Å; M690-A694 HydrophobicContact CE-CB 3.72Å; M690-A694 VanDerWaalsContact CE-O 3.3Å; M690-A694 WeakPolarHBondContact CE-O 3.39Å; F691-A694 HydrophobicContact CE2-CB 4.44Å; F691-A694 HydrophobicContact CZ-CB 4.48Å; F691-A694 PolarHBondContact O-N 3.46Å; F691-A694 VanDerWaalsContact O-N 3.15Å | ||
| 695 | G | 66.1 | Low | 63.8 | Low | 58 Ų | 58 | 127.3 Ų | 127.3 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -133.2 | 164.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G693 L697 | G693-G695 PolarHBondContact O-N 3.47Å; G695-L697 PolarHBondContact O-N 3.36Å |
| 696 | K | 68.3 | Low | 64.4 | Low | 213 Ų | 213 | 124 Ų | 124 | 93% | 0.926 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.4 | 173.8 | -80.6 | -171.9 | 174.1 | -175.6 | 0 | 109.6 | ||
| 697 | L | 64.4 | Low | 65.2 | Low | 151 Ų | 151 | 122.8 Ų | 122.8 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.4 | 168.2 | -69.1 | 168.9 | 0 | 0 | 0 | 109.6 | G695 | G695-L697 PolarHBondContact O-N 3.36Š|
| 698 | P | 67.4 | Low | 65.6 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 69% | 0.688 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 149.1 | 171.3 | 27.3 | -34.4 | 0 | 0 | 0 | 109.7 | I700 | P698-I700 PolarHBondContact O-N 3.49Š|
| 699 | H | 71.9 | Confident | 65.5 | Low | 163 Ų | 163 | 116.2 Ų | 116.2 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -65 | 104.6 | 178.6 | -177.5 | 12.3 | 0 | 0 | 0 | 109.3 | I701 D705 | H699-I701 PolarHBondContact O-N 3.28Å; H699-D705 IonicContact CE1-OD2 2.75Å | ||
| 700 | I | 74 | Confident | 65.5 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | trans | -73.2 | 124.2 | 172.4 | -56.2 | 176.3 | 0 | 0 | 0 | 106.8 | P698 G702 | P698-I700 PolarHBondContact O-N 3.49Å; I700-G702 PolarHBondContact O-N 3.29Å | ||
| 701 | I | 68.7 | Low | 65.7 | Low | 123 Ų | 123 | 115.6 Ų | 115.6 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | trans | -64 | 113.8 | 176.1 | -59.9 | 177.4 | 0 | 0 | 0 | 107.7 | H699 D705 L706 | H699-I701 PolarHBondContact O-N 3.28Å; I701-D705 HydrophobicContact CG2-CB 3.8Å; I701-L706 HydrophobicContact CG2-CD2 4.21Å | ||
| 702 | G | 72.4 | Confident | 65.5 | Low | 26 Ų | 26 | 118.7 Ų | 118.7 | 27% | 0.268 | 69% | 0.688 | S | S | . | * | trans | -88.5 | 170.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I700 S704 D705 | I700-G702 PolarHBondContact O-N 3.29Å; G702-S704 PolarHBondContact O-N 3.09Å; G702-S704 VanDerWaalsContact O-N 3.14Å; G702-D705 PolarHBondContact N-OD2 2.72Å; G702-D705 WeakPolarHBondContact O-CB 3.24Å; G702-D705 PolarHBondContact O-N 3.36Å | ||
| 703 | G | 68.3 | Low | 66.1 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -17 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D705 | G703-D705 VanDerWaalsContact C-N 3.29Š|
| 704 | S | 69.3 | Low | 66.5 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -24.3 | 169.6 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | G702 | G702-S704 PolarHBondContact O-N 3.09Å; G702-S704 VanDerWaalsContact O-N 3.14Å |
| 705 | D | 70.3 | Confident | 67.2 | Low | 73 Ų | 73 | 123.4 Ų | 123.4 | 39% | 0.39 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -98.9 | -4.3 | -168.3 | -44.8 | -18.8 | 0 | 0 | 0 | 110.5 | H699 I701 G702 G703 | H699-D705 IonicContact CE1-OD2 2.75Å; I701-D705 HydrophobicContact CG2-CB 3.8Å; G702-D705 PolarHBondContact N-OD2 2.72Å; G702-D705 WeakPolarHBondContact O-CB 3.24Å; G702-D705 PolarHBondContact O-N 3.36Å; G703-D705 VanDerWaalsContact C-N 3.29Å |
| 706 | L | 71.6 | Confident | 67.8 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | trans | -93.3 | 105.3 | 176.9 | -61.6 | 179.4 | 0 | 0 | 0 | 110.4 | I701 A708 | I701-L706 HydrophobicContact CG2-CD2 4.21Å; L706-A708 PolarHBondContact O-N 3.35Å | ||
| 707 | I | 69.1 | Low | 68.4 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | trans | -67.8 | 121.4 | 168.2 | -57.7 | 176.4 | 0 | 0 | 0 | 108.2 | H709 | I707-H709 PolarHBondContact O-N 3.41Å; I707-H709 VanDerWaalsContact O-N 3.08Å | ||
| 708 | A | 64.6 | Low | 69.3 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | trans | -61.5 | 114.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | L706 Q710 | L706-A708 PolarHBondContact O-N 3.35Å; A708-Q710 PolarHBondContact O-N 3.18Å | ||
| 709 | H | 58.3 | Low | 70.1 | Confident | 173 Ų | 173 | 120 Ų | 120 | 80% | 0.801 | 64% | 0.639 | S | S | * | * | trans | -62.4 | 96.3 | 177.9 | 180 | -77 | 0 | 0 | 0 | 109.9 | I707 A711 | I707-H709 PolarHBondContact O-N 3.41Å; I707-H709 VanDerWaalsContact O-N 3.08Å; H709-A711 PolarHBondContact O-N 3.07Å | ||
| 710 | Q | 58.8 | Low | 70.7 | Confident | 177 Ų | 177 | 119.5 Ų | 119.5 | 83% | 0.827 | 63% | 0.631 | S | S | * | * | trans | -65.9 | 100.4 | 169.3 | -76.2 | -176.7 | -18.7 | 0 | 0 | 107.9 | A708 R712 | A708-Q710 PolarHBondContact O-N 3.18Å; Q710-R712 PolarHBondContact O-N 3.48Å | ||
| 711 | A | 59.8 | Low | 71.3 | Confident | 79 Ų | 79 | 117.1 Ų | 117.1 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | trans | -61 | 89.3 | 160 | 0 | 0 | 0 | 0 | 0 | 107.7 | H709 K713 | H709-A711 PolarHBondContact O-N 3.07Å; A711-K713 PolarHBondContact O-N 3.15Å | ||
| 712 | R | 61.6 | Low | 72.1 | Confident | 214 Ų | 214 | 116.2 Ų | 116.2 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | trans | -49.1 | 125.2 | 151.8 | -76.4 | -173 | 173.2 | -163.6 | -1.7 | 105.2 | Q710 N714 | Q710-R712 PolarHBondContact O-N 3.48Å; R712-N714 VanDerWaalsContact C-N 3.34Å; R712-N714 PolarHBondContact O-N 3.12Å | ||
| 713 | K | 60.7 | Low | 72.8 | Confident | 171 Ų | 171 | 120.8 Ų | 120.8 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | trans | -60.2 | 108.6 | 161.3 | -63.2 | -176.4 | 179.3 | -173.2 | 0 | 104.6 | A711 T715 | A711-K713 PolarHBondContact O-N 3.15Å; K713-T715 PolarHBondContact O-N 3.08Å | ||
| 714 | N | 69.1 | Low | 73.7 | Confident | 99 Ų | 99 | 120.5 Ų | 120.5 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | trans | -69.3 | 88.3 | 170.6 | -77.9 | -7.1 | 0 | 0 | 0 | 105.4 | R712 E716 L717 E718 | R712-N714 VanDerWaalsContact C-N 3.34Å; R712-N714 PolarHBondContact O-N 3.12Å; N714-E716 PolarHBondContact O-N 3.29Å; N714-L717 HydrophobicContact CB-CB 3.64Å; N714-L717 WeakPolarHBondContact O-CA 3.28Å; N714-L717 WeakPolarHBondContact O-CB 3.31Å; N714-L717 PolarHBondContact O-N 3.43Å; N714-E718 PolarHBondContact O-N 3.44Å | ||
| 715 | T | 77.1 | Confident | 74.3 | Confident | 82 Ų | 82 | 120.8 Ų | 120.8 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.3 | -37.8 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | K713 L717 E718 E719 | K713-T715 PolarHBondContact O-N 3.08Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.11Å; T715-E718 CarbonylContact O-C 3.59Å; T715-E718 PolarHBondContact O-N 2.81Å; T715-E718 VanDerWaalsContact O-N 3.13Å; T715-E719 WeakPolarHBondContact O-CB 3.34Å; T715-E719 WeakPolarHBondContact O-CG 3.36Å; T715-E719 PolarHBondContact O-N 3.43Å |
| 716 | E | 78.7 | Confident | 74.9 | Confident | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.5 | -41.5 | 168.4 | -175.3 | 174.1 | -154.9 | 0 | 0 | 113.6 | N714 W720 | N714-E716 PolarHBondContact O-N 3.29Å; E716-W720 WeakPolarHBondContact O-CB 3.43Å; E716-W720 PolarHBondContact O-N 3.3Å |
| 717 | L | 80.6 | Confident | 75.3 | Confident | 92 Ų | 92 | 118.5 Ų | 118.5 | 48% | 0.482 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.2 | -36.5 | 175.6 | -175.3 | 66.9 | 0 | 0 | 0 | 111.9 | N714 T715 E719 W720 L721 | N714-L717 HydrophobicContact CB-CB 3.64Å; N714-L717 WeakPolarHBondContact O-CA 3.28Å; N714-L717 WeakPolarHBondContact O-CB 3.31Å; N714-L717 PolarHBondContact O-N 3.43Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.11Å; L717-E719 VanDerWaalsContact C-N 3.34Å; L717-W720 HydrophobicContact CD1-CE3 4.47Å; L717-W720 PolarHBondContact O-N 3.41Å; L717-L721 HydrophobicContact CG-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.24Å; L717-L721 WeakPolarHBondContact O-CG 3.43Å; L717-L721 PolarHBondContact O-N 3.18Å |
| 718 | E | 82.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 115.6 Ų | 115.6 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -34.1 | 175.9 | -158.4 | -170.4 | 126.7 | 0 | 0 | 111.6 | N714 T715 K722 | N714-E718 PolarHBondContact O-N 3.44Å; T715-E718 CarbonylContact O-C 3.59Å; T715-E718 PolarHBondContact O-N 2.81Å; T715-E718 VanDerWaalsContact O-N 3.13Å; E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.17Å; E718-K722 WeakPolarHBondContact O-CG 3.47Å; E718-K722 PolarHBondContact O-N 3.34Å; E718-K722 VanDerWaalsContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.47Å; E718-K722 IonicContact OE1-NZ 2.7Å; E718-K722 PolarHBondContact OE1-NZ 2.92Å |
| 719 | E | 84.3 | Confident | 76.2 | Confident | 119 Ų | 119 | 116.7 Ų | 116.7 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -74.1 | -42 | 173.6 | -74.4 | 158.9 | -150.9 | 0 | 0 | 110.9 | T715 L717 K722 H723 | T715-E719 WeakPolarHBondContact O-CB 3.34Å; T715-E719 WeakPolarHBondContact O-CG 3.36Å; T715-E719 PolarHBondContact O-N 3.43Å; L717-E719 VanDerWaalsContact C-N 3.34Å; E719-K722 PolarHBondContact O-N 2.93Å; E719-H723 VanDerWaalsContact O-CB 3.32Å; E719-H723 WeakPolarHBondContact O-CB 3.33Å; E719-H723 PolarHBondContact O-N 3.36Å |
| 720 | W | 84.5 | Confident | 76.8 | Confident | 152 Ų | 152 | 112.3 Ų | 112.3 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 172.9 | -172.9 | 85.8 | 0 | 0 | 0 | 111.6 | E716 L717 K722 H723 E724 | E716-W720 WeakPolarHBondContact O-CB 3.43Å; E716-W720 PolarHBondContact O-N 3.3Å; L717-W720 HydrophobicContact CD1-CE3 4.47Å; L717-W720 PolarHBondContact O-N 3.41Å; W720-K722 VanDerWaalsContact C-N 3.34Å; W720-K722 PolarHBondContact O-N 3.1Å; W720-H723 PolarHBondContact O-N 2.98Å; W720-E724 WeakPolarHBondContact O-CB 3.35Å; W720-E724 PolarHBondContact O-N 2.79Å |
| 721 | L | 87.4 | Confident | 77.3 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 174.8 | -73.5 | 168.4 | 0 | 0 | 0 | 112.8 | L717 M725 | L717-L721 HydrophobicContact CG-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.24Å; L717-L721 WeakPolarHBondContact O-CG 3.43Å; L717-L721 PolarHBondContact O-N 3.18Å; L721-M725 WeakPolarHBondContact O-CB 3.34Å; L721-M725 WeakPolarHBondContact O-CE 3.13Å; L721-M725 WeakPolarHBondContact O-CG 3.25Å; L721-M725 PolarHBondContact O-N 2.87Å |
| 722 | K | 86.5 | Confident | 77.8 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 173.5 | -75.3 | 164.3 | -167.9 | 162.6 | 0 | 112.2 | E718 E719 W720 M725 E726 | E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.17Å; E718-K722 WeakPolarHBondContact O-CG 3.47Å; E718-K722 PolarHBondContact O-N 3.34Å; E718-K722 VanDerWaalsContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.47Å; E718-K722 IonicContact OE1-NZ 2.7Å; E718-K722 PolarHBondContact OE1-NZ 2.92Å; E719-K722 PolarHBondContact O-N 2.93Å; W720-K722 VanDerWaalsContact C-N 3.34Å; W720-K722 PolarHBondContact O-N 3.1Å; K722-M725 HydrophobicContact CG-CE 4.36Å; K722-M725 PolarHBondContact O-N 3.31Å; K722-E726 PolarHBondContact O-N 3.17Å |
| 723 | H | 85.5 | Confident | 78 | Confident | 122 Ų | 122 | 100.3 Ų | 100.3 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 176.6 | -176.8 | -81.2 | 0 | 0 | 0 | 110.5 | E719 W720 M725 E726 V727 | E719-H723 VanDerWaalsContact O-CB 3.32Å; E719-H723 WeakPolarHBondContact O-CB 3.33Å; E719-H723 PolarHBondContact O-N 3.36Å; W720-H723 PolarHBondContact O-N 2.98Å; H723-M725 PolarHBondContact O-N 2.76Å; H723-E726 PolarHBondContact O-N 3.39Å; H723-E726 VanDerWaalsContact O-N 3.08Å; H723-V727 VanDerWaalsContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact O-CG2 3.4Å; H723-V727 PolarHBondContact O-N 3.01Å |
| 724 | E | 87.3 | Confident | 78 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.6 | -176.5 | 55.5 | -151.7 | 0 | 0 | 111.8 | W720 E726 V727 Q728 | W720-E724 WeakPolarHBondContact O-CB 3.35Å; W720-E724 PolarHBondContact O-N 2.79Å; E724-E726 VanDerWaalsContact C-N 3.3Å; E724-E726 PolarHBondContact O-N 3.1Å; E724-V727 PolarHBondContact O-N 3.26Å; E724-Q728 WeakPolarHBondContact O-CB 3.35Å; E724-Q728 WeakPolarHBondContact O-CG 3.33Å; E724-Q728 PolarHBondContact O-N 3.36Å; E724-Q728 PolarHBondContact OE1-NE2 3.15Å |
| 725 | M | 81.4 | Confident | 77.8 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.7 | -31.5 | 173.8 | -76.2 | -171.4 | -66 | 0 | 0 | 113.8 | L721 K722 H723 R729 | L721-M725 WeakPolarHBondContact O-CB 3.34Å; L721-M725 WeakPolarHBondContact O-CE 3.13Å; L721-M725 WeakPolarHBondContact O-CG 3.25Å; L721-M725 PolarHBondContact O-N 2.87Å; K722-M725 HydrophobicContact CG-CE 4.36Å; K722-M725 PolarHBondContact O-N 3.31Å; H723-M725 PolarHBondContact O-N 2.76Å; M725-R729 VanDerWaalsContact O-CB 3.28Å; M725-R729 WeakPolarHBondContact O-CB 3.02Å; M725-R729 PolarHBondContact O-N 3.09Å |
| 726 | E | 83.4 | Confident | 77.2 | Confident | 85 Ų | 85 | 94.4 Ų | 94.4 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.4 | -37.5 | 175.2 | -162.7 | 68.8 | -119.9 | 0 | 0 | 111.8 | K722 H723 E724 R729 Q730 | K722-E726 PolarHBondContact O-N 3.17Å; H723-E726 PolarHBondContact O-N 3.39Å; H723-E726 VanDerWaalsContact O-N 3.08Å; E724-E726 VanDerWaalsContact C-N 3.3Å; E724-E726 PolarHBondContact O-N 3.1Å; E726-R729 PolarHBondContact O-N 3.45Å; E726-R729 WeakPolarHBondContact OE1-CD 3.32Å; E726-R729 IonicContact OE1-CZ 3.52Å; E726-R729 IonicContact OE1-NE 2.67Å; E726-R729 IonicContact OE1-NH1 2.68Å; E726-R729 PolarHBondContact OE1-NH1 3.35Å; E726-R729 IonicContact OE2-CZ 2.65Å; E726-R729 IonicContact OE2-NH1 2.66Å; E726-R729 PolarHBondContact OE2-NH1 3.42Å; E726-R729 IonicContact OE2-NH2 3.56Å; E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 PolarHBondContact O-N 3.48Å |
| 727 | V | 80.4 | Confident | 76.4 | Confident | 62 Ų | 62 | 90 Ų | 90 | 38% | 0.376 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 172.4 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | H723 E724 R729 Q730 Q731 | H723-V727 VanDerWaalsContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact O-CG2 3.4Å; H723-V727 PolarHBondContact O-N 3.01Å; E724-V727 PolarHBondContact O-N 3.26Å; V727-R729 VanDerWaalsContact C-N 3.32Å; V727-R729 PolarHBondContact O-N 2.93Å; V727-Q730 CarbonylContact O-C 3.57Å; V727-Q730 PolarHBondContact O-N 2.86Å; V727-Q731 WeakPolarHBondContact O-CB 3.38Å; V727-Q731 PolarHBondContact O-N 2.76Å |
| 728 | Q | 75.6 | Confident | 75.2 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.3 | -69.7 | 179.4 | 13.2 | 0 | 0 | 112 | E724 Q730 A732 | E724-Q728 WeakPolarHBondContact O-CB 3.35Å; E724-Q728 WeakPolarHBondContact O-CG 3.33Å; E724-Q728 PolarHBondContact O-N 3.36Å; E724-Q728 PolarHBondContact OE1-NE2 3.15Å; Q728-Q730 VanDerWaalsContact C-N 3.31Å; Q728-Q730 PolarHBondContact O-N 3.38Å; Q728-A732 WeakPolarHBondContact O-CB 3.27Å; Q728-A732 PolarHBondContact O-N 3.16Å |
| 729 | R | 77.5 | Confident | 74.5 | Confident | 107 Ų | 107 | 86 Ų | 86 | 40% | 0.404 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 173.3 | -167.4 | -166.9 | -58.9 | 147 | 4.4 | 111.8 | V122 M725 E726 V727 K733 | V122-R729 HydrophobicContact CG2-CG 3.91Å; M725-R729 VanDerWaalsContact O-CB 3.28Å; M725-R729 WeakPolarHBondContact O-CB 3.02Å; M725-R729 PolarHBondContact O-N 3.09Å; E726-R729 PolarHBondContact O-N 3.45Å; E726-R729 WeakPolarHBondContact OE1-CD 3.32Å; E726-R729 IonicContact OE1-CZ 3.52Å; E726-R729 IonicContact OE1-NE 2.67Å; E726-R729 IonicContact OE1-NH1 2.68Å; E726-R729 PolarHBondContact OE1-NH1 3.35Å; E726-R729 IonicContact OE2-CZ 2.65Å; E726-R729 IonicContact OE2-NH1 2.66Å; E726-R729 PolarHBondContact OE2-NH1 3.42Å; E726-R729 IonicContact OE2-NH2 3.56Å; V727-R729 VanDerWaalsContact C-N 3.32Å; V727-R729 PolarHBondContact O-N 2.93Å; R729-K733 VanDerWaalsContact O-CG 3.26Å; R729-K733 WeakPolarHBondContact O-CG 3.41Å; R729-K733 PolarHBondContact O-N 2.89Å |
| 730 | Q | 70.4 | Confident | 74 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.8 | -45.8 | 178.9 | -172.4 | 59.7 | 20.2 | 0 | 0 | 111.3 | E726 V727 Q728 A732 K733 E734 | E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 PolarHBondContact O-N 3.48Å; V727-Q730 CarbonylContact O-C 3.57Å; V727-Q730 PolarHBondContact O-N 2.86Å; Q728-Q730 VanDerWaalsContact C-N 3.31Å; Q728-Q730 PolarHBondContact O-N 3.38Å; Q730-A732 PolarHBondContact O-N 3.08Å; Q730-K733 WeakPolarHBondContact O-CB 3.39Å; Q730-K733 PolarHBondContact O-N 3.14Å; Q730-K733 VanDerWaalsContact O-N 3.14Å; Q730-K733 VanDerWaalsContact OE1-NZ 3.11Å; Q730-E734 WeakPolarHBondContact CG-OE1 3.22Å; Q730-E734 PolarHBondContact NE2-OE1 3.12Å; Q730-E734 WeakPolarHBondContact O-CG 3.37Å; Q730-E734 PolarHBondContact O-N 2.61Å |
| 731 | Q | 69.8 | Low | 73.3 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.3 | -47 | 171.9 | -179.5 | 176.2 | -14.7 | 0 | 0 | 111.3 | V727 K733 E734 E735 | V727-Q731 WeakPolarHBondContact O-CB 3.38Å; V727-Q731 PolarHBondContact O-N 2.76Å; Q731-K733 PolarHBondContact O-N 3.26Å; Q731-E734 CarbonylContact O-C 3.18Å; Q731-E734 PolarHBondContact O-N 3.25Å; Q731-E735 HydrophobicContact CG-CG 4.17Å; Q731-E735 WeakPolarHBondContact CG-OE1 3.49Å; Q731-E735 PolarHBondContact NE2-OE1 3.38Å; Q731-E735 WeakPolarHBondContact O-CB 3.25Å; Q731-E735 WeakPolarHBondContact O-CG 3.43Å; Q731-E735 PolarHBondContact O-N 2.74Å |
| 732 | A | 69.1 | Low | 72.3 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q728 Q730 S736 | Q728-A732 WeakPolarHBondContact O-CB 3.27Å; Q728-A732 PolarHBondContact O-N 3.16Å; Q730-A732 PolarHBondContact O-N 3.08Å; A732-S736 WeakPolarHBondContact O-CB 3.47Å |
| 733 | K | 67.3 | Low | 71 | Confident | 86 Ų | 86 | 74 Ų | 74 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75.9 | -45.8 | 166.7 | -66.7 | 160.7 | -166.9 | 154.1 | 0 | 110.6 | R729 Q730 Q731 S736 L737 | R729-K733 VanDerWaalsContact O-CG 3.26Å; R729-K733 WeakPolarHBondContact O-CG 3.41Å; R729-K733 PolarHBondContact O-N 2.89Å; Q730-K733 WeakPolarHBondContact O-CB 3.39Å; Q730-K733 PolarHBondContact O-N 3.14Å; Q730-K733 VanDerWaalsContact O-N 3.14Å; Q730-K733 VanDerWaalsContact OE1-NZ 3.11Å; Q731-K733 PolarHBondContact O-N 3.26Å; K733-S736 CarbonylContact O-C 3.55Å; K733-S736 PolarHBondContact O-N 2.89Å; K733-L737 WeakPolarHBondContact O-CB 3.38Å; K733-L737 WeakPolarHBondContact O-CG 3.47Å; K733-L737 PolarHBondContact O-N 2.66Å |
| 734 | E | 59.9 | Low | 69.1 | Low | 108 Ų | 108 | 74.1 Ų | 74.1 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | -175.4 | -75 | 177.2 | -167.6 | 0 | 0 | 112.2 | Q730 Q731 L737 A738 | Q730-E734 WeakPolarHBondContact CG-OE1 3.22Å; Q730-E734 PolarHBondContact NE2-OE1 3.12Å; Q730-E734 WeakPolarHBondContact O-CG 3.37Å; Q730-E734 PolarHBondContact O-N 2.61Å; Q731-E734 CarbonylContact O-C 3.18Å; Q731-E734 PolarHBondContact O-N 3.25Å; E734-L737 CarbonylContact O-C 3.12Å; E734-L737 WeakPolarHBondContact O-CA 3.25Å; E734-L737 PolarHBondContact O-N 3.1Å; E734-A738 WeakPolarHBondContact O-CB 3.27Å; E734-A738 PolarHBondContact O-N 3.21Å |
| 735 | E | 64.5 | Low | 66.7 | Low | 108 Ų | 108 | 75 Ų | 75 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 168.9 | -70.9 | 173.3 | 177.2 | 0 | 0 | 111 | Q731 L737 A738 D739 | Q731-E735 HydrophobicContact CG-CG 4.17Å; Q731-E735 WeakPolarHBondContact CG-OE1 3.49Å; Q731-E735 PolarHBondContact NE2-OE1 3.38Å; Q731-E735 WeakPolarHBondContact O-CB 3.25Å; Q731-E735 WeakPolarHBondContact O-CG 3.43Å; Q731-E735 PolarHBondContact O-N 2.74Å; E735-L737 PolarHBondContact O-N 3.47Å; E735-L737 VanDerWaalsContact O-N 3.12Å; E735-A738 PolarHBondContact O-N 3.18Å; E735-A738 VanDerWaalsContact O-N 3.08Å; E735-D739 PolarHBondContact O-N 2.84Å |
| 736 | S | 64.5 | Low | 64.6 | Low | 13 Ų | 13 | 74 Ų | 74 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.8 | -5.5 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 114.4 | C119 A732 K733 | C119-S736 VanDerWaalsContact CA-OG 3.31Å; C119-S736 WeakPolarHBondContact CA-OG 3.37Å; C119-S736 PolarHBondContact N-OG 3.23Å; A732-S736 WeakPolarHBondContact O-CB 3.47Å; K733-S736 CarbonylContact O-C 3.55Å; K733-S736 PolarHBondContact O-N 2.89Å |
| 737 | L | 61.4 | Low | 62.2 | Low | 66 Ų | 66 | 76.6 Ų | 76.6 | 35% | 0.346 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -109.4 | -13.5 | 172 | -70.6 | 170.8 | 0 | 0 | 0 | 112.5 | K733 E734 E735 D740 | K733-L737 WeakPolarHBondContact O-CB 3.38Å; K733-L737 WeakPolarHBondContact O-CG 3.47Å; K733-L737 PolarHBondContact O-N 2.66Å; E734-L737 CarbonylContact O-C 3.12Å; E734-L737 WeakPolarHBondContact O-CA 3.25Å; E734-L737 PolarHBondContact O-N 3.1Å; E735-L737 PolarHBondContact O-N 3.47Å; E735-L737 VanDerWaalsContact O-N 3.12Å; L737-D740 WeakPolarHBondContact O-CB 3.32Å |
| 738 | A | 56 | Low | 59.8 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -86.6 | -23.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K237 E734 E735 D740 | K237-A738 WeakPolarHBondContact CE-O 3.24Å; K237-A738 PolarHBondContact NZ-O 3.34Å; E734-A738 WeakPolarHBondContact O-CB 3.27Å; E734-A738 PolarHBondContact O-N 3.21Å; E735-A738 PolarHBondContact O-N 3.18Å; E735-A738 VanDerWaalsContact O-N 3.08Å; A738-D740 PolarHBondContact O-N 2.95Å |
| 739 | D | 67.3 | Low | 57.6 | Low | 31 Ų | 31 | 82.8 Ų | 82.8 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -62 | -26.7 | 168.3 | -101.5 | -0.9 | 0 | 0 | 0 | 112.9 | T158 I159 K160 E735 | T158-D739 CarbonylContact C-O 3.44Å; T158-D739 WeakPolarHBondContact CA-O 3.45Å; T158-D739 HydrophobicContact CG2-CB 4.06Å; I159-D739 HydrophobicContact CG2-CB 4.44Å; I159-D739 WeakPolarHBondContact CG2-OD1 3.42Å; I159-D739 PolarHBondContact N-O 2.82Å; K160-D739 IonicContact NZ-OD2 3.07Å; E735-D739 PolarHBondContact O-N 2.84Å |
| 740 | D | 75 | Confident | 55.4 | Low | 19 Ų | 19 | 89.2 Ų | 89.2 | 10% | 0.102 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 121.5 | 178.7 | -179.2 | -31.1 | 0 | 0 | 0 | 111.3 | L737 A738 F742 R743 | L737-D740 WeakPolarHBondContact O-CB 3.32Å; A738-D740 PolarHBondContact O-N 2.95Å; D740-F742 PolarHBondContact OD1-N 3.27Å; D740-R743 HydrophobicContact CB-CB 4.49Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact OD1-N 3.06Å; D740-R743 VanDerWaalsContact OD2-CD 3.26Å; D740-R743 WeakPolarHBondContact OD2-CD 3.18Å; D740-R743 VanDerWaalsContact OD2-CG 3.32Å; D740-R743 WeakPolarHBondContact OD2-CG 3.4Å; D740-R743 IonicContact OD2-NE 3.34Å |
| 741 | L | 70.1 | Confident | 53.4 | Low | 5 Ų | 5 | 100.6 Ų | 100.6 | 3% | 0.026 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -83.1 | -12 | -175.2 | -59.5 | 174.6 | 0 | 0 | 0 | 113.6 | V157 I162 L238 E307 A308 | V157-L741 HydrophobicContact CG1-CD1 4.4Å; V157-L741 WeakPolarHBondContact O-CB 3.17Å; V157-L741 PolarHBondContact O-N 2.94Å; I162-L741 HydrophobicContact CG1-CD1 3.55Å; L238-L741 HydrophobicContact CD2-CD2 3.73Å; E307-L741 HydrophobicContact CG-CD2 3.84Å; E307-L741 WeakPolarHBondContact OE1-CD2 3.18Å; A308-L741 WeakPolarHBondContact CB-O 3.38Å |
| 742 | F | 64.8 | Low | 52.6 | Low | 23 Ų | 23 | 100.6 Ų | 100.6 | 10% | 0.101 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -111.7 | -11.2 | -168.5 | -71 | -88.2 | 0 | 0 | 0 | 113.9 | V157 A204 A308 L312 D740 Y744 | V157-F742 HydrophobicContact CB-CD2 3.62Å; V157-F742 HydrophobicContact CB-CE2 3.52Å; V157-F742 HydrophobicContact CG1-CD2 4.08Å; V157-F742 HydrophobicContact CG1-CE2 3.48Å; V157-F742 VanDerWaalsContact CG1-CE2 3.48Å; V157-F742 HydrophobicContact CG1-CZ 4.47Å; V157-F742 HydrophobicContact CG2-CD2 4.37Å; V157-F742 HydrophobicContact CG2-CE2 4.21Å; A204-F742 HydrophobicContact CB-CB 3.66Å; A204-F742 HydrophobicContact CB-CD1 3.34Å; A204-F742 HydrophobicContact CB-CE1 4.25Å; A204-F742 HydrophobicContact CB-CG 3.7Å; A308-F742 HydrophobicContact CB-CD1 4.17Å; A308-F742 HydrophobicContact CB-CE1 4.01Å; A308-F742 HydrophobicContact CB-CZ 4.44Å; A308-F742 WeakPolarHBondContact O-CZ 3.45Å; L312-F742 HydrophobicContact CD1-CE1 4.09Å; L312-F742 HydrophobicContact CD2-CE1 3.58Å; L312-F742 HydrophobicContact CD2-CZ 3.8Å; L312-F742 HydrophobicContact CG-CE1 3.59Å; L312-F742 HydrophobicContact CG-CZ 3.7Å; D740-F742 PolarHBondContact OD1-N 3.27Å; F742-Y744 PolarHBondContact O-N 2.67Å |
| 743 | R | 59.9 | Low | 51.8 | Low | 161 Ų | 161 | 104.2 Ų | 104.2 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | trans | -61.2 | -22.6 | 172.9 | -93.2 | 177.2 | 162.4 | -118.6 | -11.7 | 115.2 | D740 N745 | D740-R743 HydrophobicContact CB-CB 4.49Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact OD1-N 3.06Å; D740-R743 VanDerWaalsContact OD2-CD 3.26Å; D740-R743 WeakPolarHBondContact OD2-CD 3.18Å; D740-R743 VanDerWaalsContact OD2-CG 3.32Å; D740-R743 WeakPolarHBondContact OD2-CG 3.4Å; D740-R743 IonicContact OD2-NE 3.34Å; R743-N745 PolarHBondContact O-N 2.91Å | ||
| 744 | Y | 45.1 | Very low | 50.9 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | trans | -79.7 | 69.2 | 173.4 | -153.4 | -75.8 | 0 | 0 | 0 | 111.3 | G274 T276 F742 P746 | G274-Y744 PolarHBondContact O-OH 2.88Å; T276-Y744 PolarHBondContact OG1-OH 2.9Å; F742-Y744 PolarHBondContact O-N 2.67Å; Y744-P746 HydrophobicContact CE1-CB 4.46Å; Y744-P746 WeakPolarHBondContact O-CD 3.36Å | ||
| 745 | N | 38.3 | Very low | 50.4 | Low | 81 Ų | 81 | 105.1 Ų | 105.1 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -104.4 | 99.2 | 169.5 | -172.8 | -21.9 | 0 | 0 | 0 | 109.6 | R743 N747 V748 | R743-N745 PolarHBondContact O-N 2.91Å; N745-N747 PolarHBondContact O-N 3.02Å; N745-N747 PolarHBondContact OD1-N 3.3Å; N745-V748 HydrophobicContact CB-CG2 3.95Å; N745-V748 PolarHBondContact O-N 3.43Å; N745-V748 VanDerWaalsContact O-N 3.15Å | ||
| 746 | P | 36.8 | Very low | 49.5 | Very low | 91 Ų | 91 | 104.9 Ų | 104.9 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9 | -172.5 | 26.7 | -35.2 | 0 | 0 | 0 | 114 | Y744 | Y744-P746 HydrophobicContact CE1-CB 4.46Å; Y744-P746 WeakPolarHBondContact O-CD 3.36Å |
| 747 | N | 31.9 | Very low | 48.5 | Very low | 140 Ų | 140 | 111 Ų | 111 | 75% | 0.749 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6 | 178 | -65.1 | -72.1 | 0 | 0 | 0 | 113.9 | N745 K749 | N745-N747 PolarHBondContact O-N 3.02Å; N745-N747 PolarHBondContact OD1-N 3.3Å; N747-K749 VanDerWaalsContact C-N 3.28Å; N747-K749 PolarHBondContact O-N 3.45Å |
| 748 | V | 31.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | trans | -78.3 | 78.8 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | N745 R750 | N745-V748 HydrophobicContact CB-CG2 3.95Å; N745-V748 PolarHBondContact O-N 3.43Å; N745-V748 VanDerWaalsContact O-N 3.15Å; V748-R750 PolarHBondContact O-N 3.17Å; V748-R750 VanDerWaalsContact O-N 3.07Å | ||
| 749 | K | 29.5 | Very low | 46.9 | Very low | 193 Ų | 193 | 118.1 Ų | 118.1 | 84% | 0.839 | 53% | 0.527 | S | S | * | . | trans | -56.6 | 113.1 | 161.3 | -70.2 | -173 | 178 | -175.9 | 0 | 108.3 | N747 R751 | N747-K749 VanDerWaalsContact C-N 3.28Å; N747-K749 PolarHBondContact O-N 3.45Å; K749-R751 PolarHBondContact O-N 3.44Å | ||
| 750 | R | 29.2 | Very low | 45.2 | Very low | 242 Ų | 242 | 125.3 Ų | 125.3 | 91% | 0.913 | 56% | 0.557 | S | S | * | * | trans | -56 | 128.8 | 166.6 | -67 | -176.9 | -178.6 | 178.1 | 1.4 | 107.9 | V748 | V748-R750 PolarHBondContact O-N 3.17Å; V748-R750 VanDerWaalsContact O-N 3.07Å | ||
| 751 | R | 30.4 | Very low | 42.5 | Very low | 319 Ų | 319 | 135 Ų | 135 | 100% | 1.204 | 60% | 0.599 | S | S | * | * | trans | -84.1 | 0 | 167.7 | -78.2 | -175.3 | 171.8 | -178.7 | -2.3 | 109.9 | K749 | K749-R751 PolarHBondContact O-N 3.44Š|
Retrieved 751 of 751 residues in 185.1 ms
(Link to these results)