| 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 | 40.3 | Very low | 47.2 | Very low | 217 Ų | 217 | 137.1 Ų | 137.1 | 100% | 1.069 | 66% | 0.661 | S | S | * | * | 0 | 102.6 | 0 | -75.7 | 172.8 | 176.1 | 0 | 0 | 108.6 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.48Å; M1-Y3 PolarHBondContact O-N 3.02Å | |||
| 2 | R | 42.3 | Very low | 47.2 | Very low | 239 Ų | 239 | 135.2 Ų | 135.2 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | trans | -87.6 | 101.9 | 169.7 | -72.5 | -177.1 | 178.9 | 178.3 | -0.2 | 106.4 | N4 | R2-N4 PolarHBondContact O-N 3.23Å; R2-N4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | Y | 44.8 | Very low | 47.2 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 73% | 0.725 | 64% | 0.638 | S | S | * | * | trans | -69.2 | 103 | 174.5 | -95.1 | -90.4 | 0 | 0 | 0 | 108.4 | M1 F5 | M1-Y3 HydrophobicContact CB-CD2 4.48Å; M1-Y3 PolarHBondContact O-N 3.02Å; Y3-F5 PolarHBondContact O-N 3.11Å; Y3-F5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | N | 43.5 | Very low | 47.2 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | trans | -72.8 | 95.1 | 168.2 | -74.3 | -23.5 | 0 | 0 | 0 | 107.6 | R2 S6 | R2-N4 PolarHBondContact O-N 3.23Å; R2-N4 VanDerWaalsContact O-N 3.08Å; N4-S6 PolarHBondContact O-N 3.08Å | ||
| 5 | F | 41.9 | Very low | 47.3 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 61% | 0.614 | 64% | 0.638 | S | S | * | * | trans | -65.6 | 118.6 | 168.6 | -82.5 | -86.9 | 0 | 0 | 0 | 108.9 | Y3 L9 | Y3-F5 PolarHBondContact O-N 3.11Å; Y3-F5 VanDerWaalsContact O-N 3.11Å; F5-L9 HydrophobicContact CD1-CD1 4.28Å | ||
| 6 | S | 54.4 | Low | 47.4 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 43% | 0.427 | 63% | 0.634 | S | S | . | * | trans | -58 | 136.7 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | N4 S8 L9 | N4-S6 PolarHBondContact O-N 3.08Å; S6-S8 PolarHBondContact O-N 2.98Å; S6-S8 PolarHBondContact OG-OG 3.36Å; S6-L9 PolarHBondContact O-N 3.06Å | ||
| 7 | P | 54.7 | Low | 47.1 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -53.7 | -24.2 | -179.7 | -25.8 | 33.4 | 0 | 0 | 0 | 114.4 | L9 W10 I11 | P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.47Å; P7-W10 PolarHBondContact O-N 3.48Å; P7-I11 PolarHBondContact O-N 3.44Å |
| 8 | S | 53.6 | Low | 46.6 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.1 | -31.6 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | S6 I11 L12 | S6-S8 PolarHBondContact O-N 2.98Å; S6-S8 PolarHBondContact OG-OG 3.36Å; S8-I11 PolarHBondContact O-N 3.45Å; S8-L12 PolarHBondContact O-N 3.26Å |
| 9 | L | 48 | Very low | 46.4 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.6 | -31.4 | 178.3 | -89.9 | 143.5 | 0 | 0 | 0 | 112.3 | F5 S6 P7 L12 I13 | F5-L9 HydrophobicContact CD1-CD1 4.28Å; S6-L9 PolarHBondContact O-N 3.06Å; P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.16Å; L9-I13 WeakPolarHBondContact O-CG1 3.27Å; L9-I13 PolarHBondContact O-N 3.47Å; L9-I13 VanDerWaalsContact O-N 3.16Å |
| 10 | W | 44.6 | Very low | 46 | Very low | 140 Ų | 140 | 128 Ų | 128 | 53% | 0.53 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | 175.5 | -74.4 | 94.4 | 0 | 0 | 0 | 111.5 | P7 L12 I13 Y14 | P7-W10 PolarHBondContact O-N 3.48Å; W10-L12 VanDerWaalsContact C-N 3.32Å; W10-L12 PolarHBondContact O-N 3.07Å; W10-I13 PolarHBondContact O-N 2.89Å; W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 HydrophobicContact CE3-CD2 4.37Å; W10-Y14 AromaticContact CE3-CE2 3.7Å; W10-Y14 HydrophobicContact CE3-CE2 3.7Å; W10-Y14 HydrophobicContact CZ3-CE2 4.34Å; W10-Y14 WeakPolarHBondContact O-CD2 3.48Å; W10-Y14 PolarHBondContact O-N 3.04Å |
| 11 | I | 51.6 | Low | 45.8 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.6 | -40.5 | 178.1 | -60.3 | 171.6 | 0 | 0 | 0 | 110.8 | P7 S8 Y14 V15 | P7-I11 PolarHBondContact O-N 3.44Å; S8-I11 PolarHBondContact O-N 3.45Å; I11-Y14 PolarHBondContact O-N 3.47Å; I11-V15 VanDerWaalsContact O-CG2 3.27Å; I11-V15 WeakPolarHBondContact O-CG2 3.25Å; I11-V15 PolarHBondContact O-N 3.28Å |
| 12 | L | 46.1 | Very low | 45.7 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.8 | -41.2 | 176.7 | -112.9 | 112.5 | 0 | 0 | 0 | 112.6 | S8 L9 W10 V15 I16 | S8-L12 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.16Å; W10-L12 VanDerWaalsContact C-N 3.32Å; W10-L12 PolarHBondContact O-N 3.07Å; L12-V15 PolarHBondContact O-N 3.34Å; L12-I16 HydrophobicContact CD2-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.07Å |
| 13 | I | 47.7 | Very low | 45.8 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67 | -40.2 | 178 | -66.5 | 168.9 | 0 | 0 | 0 | 110.4 | L9 W10 V15 I16 F17 | L9-I13 WeakPolarHBondContact O-CG1 3.27Å; L9-I13 PolarHBondContact O-N 3.47Å; L9-I13 VanDerWaalsContact O-N 3.16Å; W10-I13 PolarHBondContact O-N 2.89Å; I13-V15 VanDerWaalsContact C-N 3.34Å; I13-V15 PolarHBondContact O-N 3.24Å; I13-I16 PolarHBondContact O-N 3.45Å; I13-F17 HydrophobicContact CG2-CD2 3.78Å; I13-F17 HydrophobicContact CG2-CE2 4.35Å; I13-F17 WeakPolarHBondContact O-CB 3.18Å; I13-F17 WeakPolarHBondContact O-CD2 3.34Å; I13-F17 PolarHBondContact O-N 2.79Å |
| 14 | Y | 47.3 | Very low | 45.9 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.8 | -28.4 | 175.9 | -83.5 | -71.8 | 0 | 0 | 0 | 113.3 | W10 I11 G18 | W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 HydrophobicContact CE3-CD2 4.37Å; W10-Y14 AromaticContact CE3-CE2 3.7Å; W10-Y14 HydrophobicContact CE3-CE2 3.7Å; W10-Y14 HydrophobicContact CZ3-CE2 4.34Å; W10-Y14 WeakPolarHBondContact O-CD2 3.48Å; W10-Y14 PolarHBondContact O-N 3.04Å; I11-Y14 PolarHBondContact O-N 3.47Å; Y14-G18 WeakPolarHBondContact O-CA 3.08Å; Y14-G18 PolarHBondContact O-N 2.84Å |
| 15 | V | 48.6 | Very low | 46.2 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 68% | 0.679 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.1 | -32.5 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | I11 L12 I13 | I11-V15 VanDerWaalsContact O-CG2 3.27Å; I11-V15 WeakPolarHBondContact O-CG2 3.25Å; I11-V15 PolarHBondContact O-N 3.28Å; L12-V15 PolarHBondContact O-N 3.34Å; I13-V15 VanDerWaalsContact C-N 3.34Å; I13-V15 PolarHBondContact O-N 3.24Å |
| 16 | I | 48.6 | Very low | 46.9 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -80.4 | -33.4 | 179 | -64.6 | 166.9 | 0 | 0 | 0 | 112.1 | L12 I13 | L12-I16 HydrophobicContact CD2-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.07Å; I13-I16 PolarHBondContact O-N 3.45Å |
| 17 | F | 42.5 | Very low | 46.9 | Very low | 162 Ų | 162 | 108.4 Ų | 108.4 | 71% | 0.711 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -112.5 | -12.6 | -175 | -70.5 | -82.8 | 0 | 0 | 0 | 115.3 | I13 | I13-F17 HydrophobicContact CG2-CD2 3.78Å; I13-F17 HydrophobicContact CG2-CE2 4.35Å; I13-F17 WeakPolarHBondContact O-CB 3.18Å; I13-F17 WeakPolarHBondContact O-CD2 3.34Å; I13-F17 PolarHBondContact O-N 2.79Å |
| 18 | G | 38.3 | Very low | 47.6 | Very low | 47 Ų | 47 | 106.1 Ų | 106.1 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -99.8 | -4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y14 P20 | Y14-G18 WeakPolarHBondContact O-CA 3.08Å; Y14-G18 PolarHBondContact O-N 2.84Å; G18-P20 WeakPolarHBondContact O-CD 3.26Å |
| 19 | R | 42.8 | Very low | 48.3 | Very low | 158 Ų | 158 | 102.9 Ų | 102.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -100.9 | 98.2 | 163.1 | -132.6 | 179.4 | -171.8 | -172.2 | 0.9 | 105.9 | Y21 | R19-Y21 VanDerWaalsContact C-N 3.28Å; R19-Y21 PolarHBondContact O-N 3.05Å |
| 20 | P | 38.2 | Very low | 49.5 | Very low | 110 Ų | 110 | 100.9 Ų | 100.9 | 71% | 0.714 | 49% | 0.487 | S | S | * | . | trans | -55.9 | 110.6 | 164.5 | 25 | -29.7 | 0 | 0 | 0 | 103.9 | G18 K22 | G18-P20 WeakPolarHBondContact O-CD 3.26Å; P20-K22 VanDerWaalsContact C-N 3.29Å; P20-K22 PolarHBondContact O-N 3.31Å | ||
| 21 | Y | 42.7 | Very low | 50.9 | Low | 201 Ų | 201 | 101.4 Ų | 101.4 | 79% | 0.788 | 49% | 0.493 | S | S | * | . | trans | -46.4 | 113.3 | 160.5 | -75.4 | -90.3 | 0 | 0 | 0 | 102.9 | R19 R23 | R19-Y21 VanDerWaalsContact C-N 3.28Å; R19-Y21 PolarHBondContact O-N 3.05Å; Y21-R23 PolarHBondContact O-N 3.13Å | ||
| 22 | K | 37.2 | Very low | 52 | Low | 120 Ų | 120 | 98.9 Ų | 98.9 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | trans | -70.5 | 62.8 | 173.4 | -156 | -176.5 | -176.1 | -167.3 | 0 | 105.1 | P20 F24 | P20-K22 VanDerWaalsContact C-N 3.29Å; P20-K22 PolarHBondContact O-N 3.31Å; K22-F24 PolarHBondContact O-N 3.26Å | ||
| 23 | R | 44.2 | Very low | 53 | Low | 208 Ų | 208 | 97.7 Ų | 97.7 | 79% | 0.785 | 48% | 0.48 | S | S | * | . | trans | -44 | 123.7 | 164.4 | -128.8 | -177.6 | -172.6 | 168.2 | 2.8 | 102.4 | Y21 N25 | Y21-R23 PolarHBondContact O-N 3.13Å; R23-N25 PolarHBondContact O-N 3.4Å | ||
| 24 | F | 48.4 | Very low | 54.1 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 23% | 0.232 | 49% | 0.494 | C | S | . | . | trans | -13.5 | 101.2 | 174 | -156.6 | -99.5 | 0 | 0 | 0 | 111.8 | K22 C26 I29 Y54 N55 E226 | K22-F24 PolarHBondContact O-N 3.26Å; F24-C26 PolarHBondContact O-N 3.19Å; F24-I29 HydrophobicContact CE1-CD1 3.51Å; F24-I29 HydrophobicContact CZ-CD1 3.54Å; F24-Y54 HydrophobicContact CE2-CE1 4.22Å; F24-Y54 HydrophobicContact CZ-CD1 4.42Å; F24-Y54 AromaticContact CZ-CE1 3.96Å; F24-Y54 HydrophobicContact CZ-CE1 3.96Å; F24-N55 WeakPolarHBondContact CE2-OD1 3.39Å; F24-N55 VanDerWaalsContact CZ-CG 3.46Å; F24-N55 WeakPolarHBondContact CZ-ND2 3.48Å; F24-N55 WeakPolarHBondContact CZ-OD1 3.42Å; F24-E226 HydrophobicContact CB-CG 4.47Å; F24-E226 WeakPolarHBondContact CB-OE1 3.49Å; F24-E226 HydrophobicContact CD2-CG 4.03Å; F24-E226 PolarHBondContact N-OE2 3.32Å | ||
| 25 | N | 48.8 | Very low | 55.1 | Low | 60 Ų | 60 | 94.3 Ų | 94.3 | 32% | 0.321 | 47% | 0.473 | S | S | . | . | trans | -67.7 | 87.2 | 172.7 | -97.9 | -4.4 | 0 | 0 | 0 | 103.9 | R23 S27 D28 | R23-N25 PolarHBondContact O-N 3.4Å; N25-S27 PolarHBondContact O-N 2.84Å; N25-D28 HydrophobicContact CB-CB 3.99Å; N25-D28 VanDerWaalsContact CB-CG 3.44Å; N25-D28 WeakPolarHBondContact CB-OD1 3.26Å; N25-D28 PolarHBondContact ND2-OD1 3.26Å; N25-D28 PolarHBondContact O-N 2.79Å | ||
| 26 | C | 56.3 | Low | 55.8 | Low | 50 Ų | 50 | 93 Ų | 93 | 34% | 0.338 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -44.8 | -35.2 | 157.7 | -68 | 0 | 0 | 0 | 0 | 107.9 | F24 D28 I29 C30 I194 | F24-C26 PolarHBondContact O-N 3.19Å; C26-D28 PolarHBondContact O-N 3.4Å; C26-I29 PolarHBondContact O-N 3.29Å; C26-C30 WeakPolarHBondContact O-CB 3.25Å; C26-C30 PolarHBondContact O-N 3.34Å; C26-C30 PolarHBondContact O-SG 3.38Å; C26-I194 HydrophobicContact CB-CG2 4.23Å |
| 27 | S | 55.8 | Low | 56.7 | Low | 22 Ų | 22 | 97 Ų | 97 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -44 | -46.5 | 167.3 | -147.9 | 0 | 0 | 0 | 0 | 115.6 | N25 C30 K31 | N25-S27 PolarHBondContact O-N 2.84Å; S27-C30 PolarHBondContact O-N 2.89Å; S27-K31 WeakPolarHBondContact O-CB 3.28Å; S27-K31 WeakPolarHBondContact O-CD 3.36Å; S27-K31 WeakPolarHBondContact O-CG 3.48Å; S27-K31 PolarHBondContact O-N 3.46Å; S27-K31 WeakPolarHBondContact OG-CE 3.33Å; S27-K31 PolarHBondContact OG-NZ 3.15Å |
| 28 | D | 68.8 | Low | 58.5 | Low | 51 Ų | 51 | 93 Ų | 93 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | -175.8 | -70 | 0.5 | 0 | 0 | 0 | 110 | N25 C26 K31 N32 | N25-D28 HydrophobicContact CB-CB 3.99Å; N25-D28 VanDerWaalsContact CB-CG 3.44Å; N25-D28 WeakPolarHBondContact CB-OD1 3.26Å; N25-D28 PolarHBondContact ND2-OD1 3.26Å; N25-D28 PolarHBondContact O-N 2.79Å; C26-D28 PolarHBondContact O-N 3.4Å; D28-K31 PolarHBondContact O-N 3.37Å; D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.8Å |
| 29 | I | 68.5 | Low | 61 | Low | 1 Ų | 1 | 94.5 Ų | 94.5 | 1% | 0.005 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 176.2 | -59.6 | 179.1 | 0 | 0 | 0 | 111.6 | F24 C26 K31 Y54 I194 R204 | F24-I29 HydrophobicContact CE1-CD1 3.51Å; F24-I29 HydrophobicContact CZ-CD1 3.54Å; C26-I29 PolarHBondContact O-N 3.29Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.85Å; I29-Y54 HydrophobicContact CD1-CD1 3.56Å; I29-Y54 HydrophobicContact CD1-CE1 3.38Å; I29-Y54 HydrophobicContact CG1-CD1 3.67Å; I29-Y54 HydrophobicContact CG1-CE1 3.25Å; I29-I194 HydrophobicContact CD1-CD1 3.43Å; I29-I194 VanDerWaalsContact CD1-CD1 3.43Å; I29-I194 HydrophobicContact CG2-CD1 4.18Å; I29-R204 HydrophobicContact CG2-CG 4.27Å; I29-R204 VanDerWaalsContact CG2-NH2 3.34Å; I29-R204 PolarHBondContact O-NH2 3.45Å |
| 30 | C | 73.2 | Confident | 63.3 | Low | 44 Ų | 44 | 88.8 Ų | 88.8 | 30% | 0.297 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69 | -26.4 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | C26 S27 C196 | C26-C30 WeakPolarHBondContact O-CB 3.25Å; C26-C30 PolarHBondContact O-N 3.34Å; C26-C30 PolarHBondContact O-SG 3.38Å; S27-C30 PolarHBondContact O-N 2.89Å; C30-C196 HydrophobicContact CB-CB 3.7Å; C30-C196 WeakPolarHBondContact CB-SG 3.45Å; C30-C196 WeakPolarHBondContact SG-CA 3.36Å; C30-C196 WeakPolarHBondContact SG-CB 3.36Å; C30-C196 CovalentContact SG-SG 2.02Å; C30-C196 PolarHBondContact SG-SG 3.37Å |
| 31 | K | 74.7 | Confident | 65.9 | Low | 151 Ų | 151 | 85.3 Ų | 85.3 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -91.2 | -24.4 | 179.2 | -72.9 | 167.8 | 178.4 | 167.8 | 0 | 113.6 | S27 D28 I29 | S27-K31 WeakPolarHBondContact O-CB 3.28Å; S27-K31 WeakPolarHBondContact O-CD 3.36Å; S27-K31 WeakPolarHBondContact O-CG 3.48Å; S27-K31 PolarHBondContact O-N 3.46Å; S27-K31 WeakPolarHBondContact OG-CE 3.33Å; S27-K31 PolarHBondContact OG-NZ 3.15Å; D28-K31 PolarHBondContact O-N 3.37Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.85Å |
| 32 | N | 73 | Confident | 68.3 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | trans | -121.4 | 96.7 | -174.9 | -169 | -15 | 0 | 0 | 0 | 111.7 | D28 D34 L35 | D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.8Å; N32-D34 PolarHBondContact O-N 2.94Å; N32-D34 WeakPolarHBondContact OD1-CB 3.47Å; N32-D34 PolarHBondContact OD1-N 3.17Å; N32-L35 HydrophobicContact CB-CD1 3.88Å; N32-L35 HydrophobicContact CB-CG 3.98Å; N32-L35 WeakPolarHBondContact O-CB 3.01Å; N32-L35 PolarHBondContact O-N 3.02Å | ||
| 33 | P | 68.5 | Low | 70.9 | Confident | 90 Ų | 90 | 73 Ų | 73 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -65.7 | -21.9 | 178.7 | 26.3 | -33.3 | 0 | 0 | 0 | 113.4 | L35 K36 | P33-L35 PolarHBondContact O-N 3.31Å; P33-K36 WeakPolarHBondContact O-CB 3.38Å; P33-K36 PolarHBondContact O-N 2.02Å |
| 34 | D | 69.7 | Low | 73.3 | Confident | 133 Ų | 133 | 67.6 Ų | 67.6 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -66.3 | -23.7 | 178.4 | -61.3 | -33.2 | 0 | 0 | 0 | 111.8 | N32 K36 | N32-D34 PolarHBondContact O-N 2.94Å; N32-D34 WeakPolarHBondContact OD1-CB 3.47Å; N32-D34 PolarHBondContact OD1-N 3.17Å; D34-K36 PolarHBondContact O-N 2.81Å |
| 35 | L | 69.2 | Low | 75.5 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -68.6 | -9.5 | 173.2 | -60.9 | 178.5 | 0 | 0 | 0 | 113.1 | N32 P33 R37 Y38 Y54 | N32-L35 HydrophobicContact CB-CD1 3.88Å; N32-L35 HydrophobicContact CB-CG 3.98Å; N32-L35 WeakPolarHBondContact O-CB 3.01Å; N32-L35 PolarHBondContact O-N 3.02Å; P33-L35 PolarHBondContact O-N 3.31Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.87Å; L35-Y38 HydrophobicContact CD2-CD2 4.47Å; L35-Y38 PolarHBondContact O-N 2.91Å; L35-Y54 HydrophobicContact CB-CD2 4.44Å; L35-Y54 HydrophobicContact CD1-CD2 3.94Å; L35-Y54 HydrophobicContact CD1-CE2 3.59Å; L35-Y54 HydrophobicContact CD2-CD2 3.91Å; L35-Y54 HydrophobicContact CD2-CE2 4.22Å; L35-Y54 HydrophobicContact CG-CD2 4.32Å; L35-Y54 HydrophobicContact CG-CE2 4.44Å |
| 36 | K | 61.9 | Low | 77.7 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 37% | 0.365 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -60.8 | -38 | -178.3 | -176 | 167 | -171.3 | 162.7 | 0 | 113.9 | P33 D34 E203 R204 | P33-K36 WeakPolarHBondContact O-CB 3.38Å; P33-K36 PolarHBondContact O-N 2.02Å; D34-K36 PolarHBondContact O-N 2.81Å; K36-E203 VanDerWaalsContact CE-O 3.3Å; K36-E203 WeakPolarHBondContact CE-O 3.48Å; K36-R204 VanDerWaalsContact CG-NH1 3.31Å |
| 37 | R | 67.9 | Low | 79.6 | Confident | 198 Ų | 198 | 72.6 Ų | 72.6 | 75% | 0.747 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -122.5 | 23.4 | -179.3 | -66 | -174 | -69.1 | -137.6 | -2.2 | 111.7 | L35 E39 | L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.87Å; R37-E39 PolarHBondContact O-N 3.4Å; R37-E39 VanDerWaalsContact O-N 3.15Å |
| 38 | Y | 80.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | trans | -59.8 | 122 | 178.7 | 178.6 | -88.7 | 0 | 0 | 0 | 110.1 | L35 N40 H53 | L35-Y38 HydrophobicContact CD2-CD2 4.47Å; L35-Y38 PolarHBondContact O-N 2.91Å; Y38-N40 HydrophobicContact CE1-CB 4.32Å; Y38-H53 PolarHBondContact O-ND1 2.83Å; Y38-H53 VanDerWaalsContact O-ND1 3.14Å | ||
| 39 | E | 90.8 | Very high | 82.8 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 127.5 | 173.9 | 177.4 | 175.3 | -152.8 | 0 | 0 | 107.2 | R37 V41 R49 H53 | R37-E39 PolarHBondContact O-N 3.4Å; R37-E39 VanDerWaalsContact O-N 3.15Å; E39-V41 HydrophobicContact CG-CG2 4.19Å; E39-R49 IonicContact OE1-CZ 3.66Å; E39-R49 IonicContact OE1-NH1 3.39Å; E39-R49 PolarHBondContact OE1-NH1 2.79Å; E39-R49 IonicContact OE1-NH2 2.62Å; E39-R49 PolarHBondContact OE1-NH2 2.84Å; E39-R49 IonicContact OE2-NH2 3.97Å; E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.49Å; E39-H53 IonicContact OE1-CE1 3.61Å |
| 40 | N | 91.2 | Very high | 84.1 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 108.3 | 167.8 | -170.5 | -16.5 | 0 | 0 | 0 | 108.3 | Y38 I42 S51 L52 K252 G253 | Y38-N40 HydrophobicContact CE1-CB 4.32Å; N40-I42 HydrophobicContact CB-CD1 4.42Å; N40-I42 PolarHBondContact O-N 3.27Å; N40-S51 CarbonylContact O-C 3.55Å; N40-S51 VanDerWaalsContact O-CA 3.28Å; N40-S51 WeakPolarHBondContact O-CA 3.23Å; N40-L52 PolarHBondContact N-O 3.23Å; N40-L52 PolarHBondContact O-N 2.99Å; N40-K252 PolarHBondContact ND2-O 2.83Å; N40-G253 WeakPolarHBondContact ND2-CA 3.36Å |
| 41 | V | 93.8 | Very high | 85.2 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 106.4 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | E39 E44 R49 K252 | E39-V41 HydrophobicContact CG-CG2 4.19Å; V41-E44 HydrophobicContact CG1-CB 3.82Å; V41-R49 HydrophobicContact CG1-CG 4.36Å; V41-K252 WeakPolarHBondContact O-CE 3.21Å; V41-K252 PolarHBondContact O-NZ 2.84Å |
| 42 | I | 92.7 | Very high | 86.1 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -45.9 | -179.2 | -52.4 | -54.1 | 0 | 0 | 0 | 109.6 | N40 Y50 L52 K252 G253 D271 | N40-I42 HydrophobicContact CB-CD1 4.42Å; N40-I42 PolarHBondContact O-N 3.27Å; I42-Y50 HydrophobicContact CB-CD1 3.87Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.21Å; I42-Y50 HydrophobicContact CG2-CD1 4.35Å; I42-Y50 PolarHBondContact N-O 2.65Å; I42-L52 HydrophobicContact CD1-CD1 3.87Å; I42-L52 HydrophobicContact CD1-CG 4.03Å; I42-L52 HydrophobicContact CG1-CD1 4.04Å; I42-L52 HydrophobicContact CG1-CG 3.77Å; I42-K252 HydrophobicContact CG2-CB 4.47Å; I42-K252 VanDerWaalsContact O-CD 3.23Å; I42-K252 WeakPolarHBondContact O-CD 3.33Å; I42-K252 WeakPolarHBondContact O-CE 2.97Å; I42-K252 PolarHBondContact O-NZ 3Å; I42-G253 VanDerWaalsContact CD1-CA 3.41Å; I42-D271 VanDerWaalsContact CG2-O 3.25Å; I42-D271 WeakPolarHBondContact CG2-O 3.36Å |
| 43 | F | 92.2 | Very high | 87 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.1 | 179.8 | 178.9 | -108.3 | 0 | 0 | 0 | 110.5 | N45 Y48 R49 Y50 V274 | F43-N45 HydrophobicContact CE1-CB 4.41Å; F43-N45 HydrophobicContact CZ-CB 4.07Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.4Å; F43-Y48 AromaticContact CD1-CD1 3.55Å; F43-Y48 HydrophobicContact CD1-CD1 3.55Å; F43-Y48 AromaticContact CD1-CE1 3.99Å; F43-Y48 HydrophobicContact CD1-CE1 3.99Å; F43-Y48 AromaticContact CE1-CD1 3.78Å; F43-Y48 HydrophobicContact CE1-CD1 3.78Å; F43-R49 CarbonylContact O-C 3.57Å; F43-R49 WeakPolarHBondContact O-CA 3.26Å; F43-Y50 PolarHBondContact N-O 3.25Å; F43-Y50 VanDerWaalsContact N-O 3.14Å; F43-Y50 PolarHBondContact O-N 3.4Å; F43-V274 HydrophobicContact CB-CB 4.21Å; F43-V274 HydrophobicContact CB-CG2 4.09Å; F43-V274 HydrophobicContact CD1-CG1 4.42Å; F43-V274 HydrophobicContact CD1-CG2 4.13Å; F43-V274 HydrophobicContact CD2-CB 3.78Å; F43-V274 HydrophobicContact CD2-CG1 3.33Å; F43-V274 HydrophobicContact CD2-CG2 4.18Å; F43-V274 HydrophobicContact CE1-CG1 4.49Å; F43-V274 HydrophobicContact CE2-CB 4.34Å; F43-V274 HydrophobicContact CE2-CG1 3.4Å; F43-V274 HydrophobicContact CG-CB 3.95Å; F43-V274 HydrophobicContact CG-CG1 3.89Å; F43-V274 HydrophobicContact CG-CG2 3.86Å; F43-V274 HydrophobicContact CZ-CG1 4Å |
| 44 | E | 93.8 | Very high | 87.8 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 130.6 | 177.9 | -174.2 | 160.9 | -175.2 | 0 | 0 | 109.2 | V41 Y48 R49 W212 | V41-E44 HydrophobicContact CG1-CB 3.82Å; E44-Y48 CarbonylContact C-O 3.51Å; E44-Y48 WeakPolarHBondContact CA-O 3.04Å; E44-R49 HydrophobicContact CB-CG 4.16Å; E44-R49 VanDerWaalsContact CD-CD 3.47Å; E44-R49 HydrophobicContact CG-CB 4.23Å; E44-R49 HydrophobicContact CG-CG 3.98Å; E44-R49 WeakPolarHBondContact OE1-CD 3.07Å; E44-R49 IonicContact OE1-NE 2.65Å; E44-R49 PolarHBondContact OE1-NE 3.34Å; E44-R49 WeakPolarHBondContact OE2-CD 3.19Å; E44-R49 IonicContact OE2-CZ 2.72Å; E44-R49 IonicContact OE2-NE 3.25Å; E44-R49 PolarHBondContact OE2-NE 2.79Å; E44-W212 HydrophobicContact CG-CZ2 4.01Å; E44-W212 PolarHBondContact OE1-NE1 2.77Å; E44-W212 VanDerWaalsContact OE1-NE1 3.11Å |
| 45 | N | 94.4 | Very high | 88.6 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | trans | -139.9 | -175.4 | 166.9 | 73.5 | 27.4 | 0 | 0 | 0 | 108.9 | F43 S47 Y48 W212 | F43-N45 HydrophobicContact CE1-CB 4.41Å; F43-N45 HydrophobicContact CZ-CB 4.07Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.4Å; N45-S47 PolarHBondContact O-N 3.25Å; N45-S47 VanDerWaalsContact O-N 3.12Å; N45-S47 WeakPolarHBondContact OD1-CA 3.1Å; N45-S47 PolarHBondContact OD1-N 2.81Å; N45-S47 PolarHBondContact OD1-OG 2.02Å; N45-Y48 PolarHBondContact N-O 3.48Å; N45-Y48 PolarHBondContact OD1-N 3.25Å; N45-W212 WeakPolarHBondContact O-CH2 3.49Å; N45-W212 WeakPolarHBondContact O-CZ2 3.33Å | ||
| 46 | D | 94.5 | Very high | 89.7 | Confident | 149 Ų | 149 | 51.2 Ų | 51.2 | 80% | 0.797 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -59.6 | -28 | -175.6 | -60.9 | -21.8 | 0 | 0 | 0 | 114.5 | R62 | D46-R62 WeakPolarHBondContact O-CD 3.43Å; D46-R62 PolarHBondContact O-NE 2.97Å |
| 47 | S | 96 | Very high | 91.3 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -111.8 | -16.4 | -171.8 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | N45 L61 R62 | N45-S47 PolarHBondContact O-N 3.25Å; N45-S47 VanDerWaalsContact O-N 3.12Å; N45-S47 WeakPolarHBondContact OD1-CA 3.1Å; N45-S47 PolarHBondContact OD1-N 2.81Å; N45-S47 PolarHBondContact OD1-OG 2.02Å; S47-L61 CarbonylContact O-C 3.57Å; S47-L61 WeakPolarHBondContact O-CA 3.22Å; S47-R62 PolarHBondContact O-N 3.5Å |
| 48 | Y | 96.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 38 Ų | 38 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 134.9 | -168.7 | -172.2 | -89.2 | 0 | 0 | 0 | 111.9 | F43 E44 N45 R59 I60 L61 D271 | F43-Y48 AromaticContact CD1-CD1 3.55Å; F43-Y48 HydrophobicContact CD1-CD1 3.55Å; F43-Y48 AromaticContact CD1-CE1 3.99Å; F43-Y48 HydrophobicContact CD1-CE1 3.99Å; F43-Y48 AromaticContact CE1-CD1 3.78Å; F43-Y48 HydrophobicContact CE1-CD1 3.78Å; E44-Y48 CarbonylContact C-O 3.51Å; E44-Y48 WeakPolarHBondContact CA-O 3.04Å; N45-Y48 PolarHBondContact N-O 3.48Å; N45-Y48 PolarHBondContact OD1-N 3.25Å; Y48-R59 HydrophobicContact CE2-CG 3.67Å; Y48-R59 WeakPolarHBondContact OH-CD 3.43Å; Y48-R59 WeakPolarHBondContact OH-CG 3.37Å; Y48-R59 PolarHBondContact OH-NE 2.95Å; Y48-I60 CarbonylContact C-O 3.53Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.27Å; Y48-L61 HydrophobicContact CD2-CD2 3.92Å; Y48-L61 HydrophobicContact CD2-CG 3.78Å; Y48-L61 HydrophobicContact CE2-CD2 3.89Å; Y48-L61 HydrophobicContact CE2-CG 3.85Å; Y48-D271 PolarHBondContact OH-OD1 2.8Å; Y48-D271 PolarHBondContact OH-OD2 2.82Å |
| 49 | R | 96.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 6% | 0.057 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 132.2 | 174.6 | -174.9 | 176.3 | -170.8 | -103.3 | 9 | 110.6 | E39 V41 F43 E44 R59 I60 P209 W212 | E39-R49 IonicContact OE1-CZ 3.66Å; E39-R49 IonicContact OE1-NH1 3.39Å; E39-R49 PolarHBondContact OE1-NH1 2.79Å; E39-R49 IonicContact OE1-NH2 2.62Å; E39-R49 PolarHBondContact OE1-NH2 2.84Å; E39-R49 IonicContact OE2-NH2 3.97Å; V41-R49 HydrophobicContact CG1-CG 4.36Å; F43-R49 CarbonylContact O-C 3.57Å; F43-R49 WeakPolarHBondContact O-CA 3.26Å; E44-R49 HydrophobicContact CB-CG 4.16Å; E44-R49 VanDerWaalsContact CD-CD 3.47Å; E44-R49 HydrophobicContact CG-CB 4.23Å; E44-R49 HydrophobicContact CG-CG 3.98Å; E44-R49 WeakPolarHBondContact OE1-CD 3.07Å; E44-R49 IonicContact OE1-NE 2.65Å; E44-R49 PolarHBondContact OE1-NE 3.34Å; E44-R49 WeakPolarHBondContact OE2-CD 3.19Å; E44-R49 IonicContact OE2-CZ 2.72Å; E44-R49 IonicContact OE2-NE 3.25Å; E44-R49 PolarHBondContact OE2-NE 2.79Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.32Å; R49-I60 HydrophobicContact CB-CB 4.16Å; R49-I60 HydrophobicContact CB-CD1 4.5Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 3.35Å; R49-I60 PolarHBondContact O-N 3.07Å; R49-P209 VanDerWaalsContact CZ-CG 3.42Å; R49-W212 HydrophobicContact CB-CH2 3.83Å; R49-W212 HydrophobicContact CB-CZ2 3.63Å; R49-W212 HydrophobicContact CB-CZ3 4.38Å; R49-W212 HydrophobicContact CG-CZ2 4.41Å |
| 50 | Y | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.2 | 173.2 | -175.9 | -111.1 | 0 | 0 | 0 | 110.1 | I42 F43 L52 S57 M58 R59 D271 | I42-Y50 HydrophobicContact CB-CD1 3.87Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.21Å; I42-Y50 HydrophobicContact CG2-CD1 4.35Å; I42-Y50 PolarHBondContact N-O 2.65Å; F43-Y50 PolarHBondContact N-O 3.25Å; F43-Y50 VanDerWaalsContact N-O 3.14Å; F43-Y50 PolarHBondContact O-N 3.4Å; Y50-L52 HydrophobicContact CE1-CD2 3.91Å; Y50-L52 HydrophobicContact CE1-CG 4.35Å; Y50-L52 WeakPolarHBondContact OH-CD2 3.24Å; Y50-S57 WeakPolarHBondContact OH-CB 3.28Å; Y50-M58 WeakPolarHBondContact CA-O 3.26Å; Y50-R59 HydrophobicContact CD2-CB 4.2Å; Y50-D271 HydrophobicContact CD1-CB 3.61Å; Y50-D271 HydrophobicContact CD2-CB 4.25Å; Y50-D271 HydrophobicContact CE1-CB 3.69Å; Y50-D271 HydrophobicContact CE2-CB 4.3Å; Y50-D271 HydrophobicContact CG-CB 3.91Å |
| 51 | S | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146 | 178.3 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | N40 H53 S57 M58 | N40-S51 CarbonylContact O-C 3.55Å; N40-S51 VanDerWaalsContact O-CA 3.28Å; N40-S51 WeakPolarHBondContact O-CA 3.23Å; S51-H53 PolarHBondContact OG-NE2 3.39Å; S51-H53 VanDerWaalsContact OG-NE2 3.12Å; S51-S57 WeakPolarHBondContact O-CA 3.5Å; S51-M58 PolarHBondContact N-O 3Å; S51-M58 PolarHBondContact O-N 2.87Å; S51-M58 VanDerWaalsContact OG-CE 3.32Å; S51-M58 WeakPolarHBondContact OG-CE 3.17Å |
| 52 | L | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.2 | 170.8 | -63.1 | -179.6 | 0 | 0 | 0 | 109.1 | N40 I42 Y50 I224 C250 K255 I257 | N40-L52 PolarHBondContact N-O 3.23Å; N40-L52 PolarHBondContact O-N 2.99Å; I42-L52 HydrophobicContact CD1-CD1 3.87Å; I42-L52 HydrophobicContact CD1-CG 4.03Å; I42-L52 HydrophobicContact CG1-CD1 4.04Å; I42-L52 HydrophobicContact CG1-CG 3.77Å; Y50-L52 HydrophobicContact CE1-CD2 3.91Å; Y50-L52 HydrophobicContact CE1-CG 4.35Å; Y50-L52 WeakPolarHBondContact OH-CD2 3.24Å; L52-I224 HydrophobicContact CD2-CD1 3.98Å; L52-C250 HydrophobicContact CD1-CB 4.1Å; L52-K255 HydrophobicContact CD1-CB 4.23Å; L52-K255 HydrophobicContact CD1-CD 4.43Å; L52-I257 HydrophobicContact CD1-CG2 4.47Å; L52-I257 HydrophobicContact CD2-CG2 4.37Å |
| 53 | H | 92 | Very high | 94.6 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 175.9 | 166.6 | -58.4 | -86.4 | 0 | 0 | 0 | 108.9 | Y38 E39 S51 N55 Y56 I206 K255 | Y38-H53 PolarHBondContact O-ND1 2.83Å; Y38-H53 VanDerWaalsContact O-ND1 3.14Å; E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.49Å; E39-H53 IonicContact OE1-CE1 3.61Å; S51-H53 PolarHBondContact OG-NE2 3.39Å; S51-H53 VanDerWaalsContact OG-NE2 3.12Å; H53-N55 VanDerWaalsContact C-N 3.31Å; H53-N55 PolarHBondContact O-N 3.35Å; H53-Y56 CarbonylContact C-O 3.44Å; H53-Y56 VanDerWaalsContact CA-O 3.31Å; H53-Y56 WeakPolarHBondContact CA-O 3.27Å; H53-Y56 VanDerWaalsContact CB-O 3.3Å; H53-Y56 WeakPolarHBondContact CB-O 3.32Å; H53-Y56 PolarHBondContact N-O 3.2Å; H53-I206 HydrophobicContact CB-CD1 3.83Å; H53-I206 HydrophobicContact CB-CG1 4.14Å; H53-I206 WeakPolarHBondContact NE2-CG2 3.3Å; H53-K255 PolarHBondContact O-NZ 2.78Å; H53-K255 VanDerWaalsContact O-NZ 3.14Å |
| 54 | Y | 85.2 | Confident | 94.8 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -57.6 | -45.1 | -176.6 | -171.8 | -101.9 | 0 | 0 | 0 | 111.9 | F24 I29 L35 K255 | F24-Y54 HydrophobicContact CE2-CE1 4.22Å; F24-Y54 HydrophobicContact CZ-CD1 4.42Å; F24-Y54 AromaticContact CZ-CE1 3.96Å; F24-Y54 HydrophobicContact CZ-CE1 3.96Å; I29-Y54 HydrophobicContact CD1-CD1 3.56Å; I29-Y54 HydrophobicContact CD1-CE1 3.38Å; I29-Y54 HydrophobicContact CG1-CD1 3.67Å; I29-Y54 HydrophobicContact CG1-CE1 3.25Å; L35-Y54 HydrophobicContact CB-CD2 4.44Å; L35-Y54 HydrophobicContact CD1-CD2 3.94Å; L35-Y54 HydrophobicContact CD1-CE2 3.59Å; L35-Y54 HydrophobicContact CD2-CD2 3.91Å; L35-Y54 HydrophobicContact CD2-CE2 4.22Å; L35-Y54 HydrophobicContact CG-CD2 4.32Å; L35-Y54 HydrophobicContact CG-CE2 4.44Å; Y54-K255 PolarHBondContact O-NZ 3.14Å |
| 55 | N | 86.5 | Confident | 95 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -115 | -7.7 | -176.2 | -62.1 | -24.1 | 0 | 0 | 0 | 115.5 | F24 H53 A223 I224 | F24-N55 WeakPolarHBondContact CE2-OD1 3.39Å; F24-N55 VanDerWaalsContact CZ-CG 3.46Å; F24-N55 WeakPolarHBondContact CZ-ND2 3.48Å; F24-N55 WeakPolarHBondContact CZ-OD1 3.42Å; H53-N55 VanDerWaalsContact C-N 3.31Å; H53-N55 PolarHBondContact O-N 3.35Å; N55-A223 WeakPolarHBondContact O-CA 3.49Å; N55-I224 PolarHBondContact O-N 3.29Å |
| 56 | Y | 92.8 | Very high | 95 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.8 | -172.1 | -75.2 | -94.5 | 0 | 0 | 0 | 109.3 | H53 F91 Y92 I190 I206 F221 E222 A223 I224 | H53-Y56 CarbonylContact C-O 3.44Å; H53-Y56 VanDerWaalsContact CA-O 3.31Å; H53-Y56 WeakPolarHBondContact CA-O 3.27Å; H53-Y56 VanDerWaalsContact CB-O 3.3Å; H53-Y56 WeakPolarHBondContact CB-O 3.32Å; H53-Y56 PolarHBondContact N-O 3.2Å; Y56-F91 WeakPolarHBondContact OH-CA 3.41Å; Y56-Y92 HydrophobicContact CD2-CE2 4.46Å; Y56-Y92 HydrophobicContact CE2-CD1 4.23Å; Y56-Y92 AromaticContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CE1 4.17Å; Y56-Y92 AromaticContact CE2-CE2 3.66Å; Y56-Y92 HydrophobicContact CE2-CE2 3.66Å; Y56-Y92 HydrophobicContact CE2-CG 4.02Å; Y56-Y92 AromaticContact CE2-CZ 3.91Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y56-I190 HydrophobicContact CD1-CD1 4.09Å; Y56-I190 HydrophobicContact CD2-CD1 4.22Å; Y56-I190 HydrophobicContact CE1-CD1 4.13Å; Y56-I190 HydrophobicContact CE2-CD1 4.28Å; Y56-I190 HydrophobicContact CG-CD1 4.16Å; Y56-I206 HydrophobicContact CD2-CD1 3.68Å; Y56-I206 HydrophobicContact CG-CD1 3.85Å; Y56-F221 HydrophobicContact CD1-CB 4.13Å; Y56-E222 CarbonylContact C-O 3.51Å; Y56-E222 VanDerWaalsContact CA-O 3.25Å; Y56-E222 WeakPolarHBondContact CA-O 3.3Å; Y56-A223 HydrophobicContact CD1-CB 4.33Å; Y56-A223 HydrophobicContact CE1-CB 3.99Å; Y56-I224 VanDerWaalsContact C-CD1 3.44Å; Y56-I224 WeakPolarHBondContact O-CD1 3.27Å |
| 57 | S | 94.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.1 | 156.2 | 62.8 | 0 | 0 | 0 | 0 | 108.6 | Y50 S51 F221 E222 | Y50-S57 WeakPolarHBondContact OH-CB 3.28Å; S51-S57 WeakPolarHBondContact O-CA 3.5Å; S57-F221 WeakPolarHBondContact O-CA 3.01Å; S57-E222 PolarHBondContact N-O 2.78Å; S57-E222 PolarHBondContact O-N 2.99Å |
| 58 | M | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.7 | 173 | -179.3 | 178 | 60.5 | 0 | 0 | 108.5 | Y50 S51 I60 I206 V208 V219 E220 F221 | Y50-M58 WeakPolarHBondContact CA-O 3.26Å; S51-M58 PolarHBondContact N-O 3Å; S51-M58 PolarHBondContact O-N 2.87Å; S51-M58 VanDerWaalsContact OG-CE 3.32Å; S51-M58 WeakPolarHBondContact OG-CE 3.17Å; M58-I60 HydrophobicContact CE-CD1 4.08Å; M58-I60 HydrophobicContact CG-CG1 4.16Å; M58-I60 HydrophobicContact SD-CD1 4.19Å; M58-I60 HydrophobicContact SD-CG1 4.39Å; M58-I206 HydrophobicContact SD-CG2 4.4Å; M58-V208 HydrophobicContact SD-CG2 4.45Å; M58-V219 HydrophobicContact CG-CG1 3.91Å; M58-V219 HydrophobicContact SD-CG1 4.07Å; M58-E220 CarbonylContact C-O 3.56Å; M58-E220 VanDerWaalsContact CA-O 3.32Å; M58-E220 WeakPolarHBondContact CA-O 3.35Å; M58-F221 HydrophobicContact CB-CD1 4.15Å; M58-F221 HydrophobicContact CB-CE1 4.21Å; M58-F221 HydrophobicContact CG-CD1 4.09Å; M58-F221 HydrophobicContact CG-CE1 3.79Å; M58-F221 HydrophobicContact CG-CZ 4.4Å; M58-F221 HydrophobicContact SD-CD1 4.38Å; M58-F221 HydrophobicContact SD-CE1 3.52Å; M58-F221 VanDerWaalsContact SD-CE1 3.52Å; M58-F221 HydrophobicContact SD-CZ 3.95Å |
| 59 | R | 97.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.038 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134 | 172.7 | -173.6 | -177.1 | -65.2 | 111.9 | 4.2 | 108.9 | Y48 R49 Y50 L61 V219 E220 L267 D271 | Y48-R59 HydrophobicContact CE2-CG 3.67Å; Y48-R59 WeakPolarHBondContact OH-CD 3.43Å; Y48-R59 WeakPolarHBondContact OH-CG 3.37Å; Y48-R59 PolarHBondContact OH-NE 2.95Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.32Å; Y50-R59 HydrophobicContact CD2-CB 4.2Å; R59-L61 HydrophobicContact CG-CD1 3.75Å; R59-L61 HydrophobicContact CG-CG 4.37Å; R59-V219 CarbonylContact O-C 3.49Å; R59-V219 WeakPolarHBondContact O-CA 3.26Å; R59-E220 HydrophobicContact CB-CB 4.41Å; R59-E220 PolarHBondContact N-O 3.37Å; R59-E220 IonicContact NH1-OE2 2.74Å; R59-E220 PolarHBondContact NH1-OE2 2.84Å; R59-E220 PolarHBondContact O-N 3.13Å; R59-L267 VanDerWaalsContact CZ-CD2 3.5Å; R59-D271 IonicContact CZ-OD2 3.5Å; R59-D271 IonicContact NE-OD2 3.17Å; R59-D271 PolarHBondContact NE-OD2 2.83Å; R59-D271 IonicContact NH2-OD2 3.9Å; R59-D271 PolarHBondContact NH2-OD2 2.85Å |
| 60 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.6 | 176.1 | -45.7 | -177.5 | 0 | 0 | 0 | 108.5 | Y48 R49 M58 V208 W212 T217 L218 V219 | Y48-I60 CarbonylContact C-O 3.53Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.27Å; R49-I60 HydrophobicContact CB-CB 4.16Å; R49-I60 HydrophobicContact CB-CD1 4.5Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 3.35Å; R49-I60 PolarHBondContact O-N 3.07Å; M58-I60 HydrophobicContact CE-CD1 4.08Å; M58-I60 HydrophobicContact CG-CG1 4.16Å; M58-I60 HydrophobicContact SD-CD1 4.19Å; M58-I60 HydrophobicContact SD-CG1 4.39Å; I60-V208 HydrophobicContact CD1-CG1 4.15Å; I60-W212 HydrophobicContact CB-CD2 4.37Å; I60-W212 HydrophobicContact CB-CE3 3.94Å; I60-W212 HydrophobicContact CB-CZ3 4.28Å; I60-W212 HydrophobicContact CD1-CB 4.01Å; I60-W212 HydrophobicContact CD1-CD2 4.22Å; I60-W212 HydrophobicContact CD1-CG 3.94Å; I60-W212 HydrophobicContact CG2-CB 4.15Å; I60-W212 HydrophobicContact CG2-CD2 3.91Å; I60-W212 HydrophobicContact CG2-CE3 3.29Å; I60-W212 HydrophobicContact CG2-CG 4.29Å; I60-W212 HydrophobicContact CG2-CZ3 3.93Å; I60-T217 HydrophobicContact CG2-CG2 3.31Å; I60-L218 CarbonylContact C-O 3.53Å; I60-L218 WeakPolarHBondContact CA-O 3.34Å; I60-V219 HydrophobicContact CG1-CG1 4.29Å; I60-V219 HydrophobicContact CG1-CG2 4.25Å; I60-V219 HydrophobicContact CG2-CG2 4.01Å |
| 61 | L | 97.9 | Very high | 95 | Very high | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.3 | 177 | -54.1 | 96.7 | 0 | 0 | 0 | 109.7 | S47 Y48 R59 Q64 T217 L218 | S47-L61 CarbonylContact O-C 3.57Å; S47-L61 WeakPolarHBondContact O-CA 3.22Å; Y48-L61 HydrophobicContact CD2-CD2 3.92Å; Y48-L61 HydrophobicContact CD2-CG 3.78Å; Y48-L61 HydrophobicContact CE2-CD2 3.89Å; Y48-L61 HydrophobicContact CE2-CG 3.85Å; R59-L61 HydrophobicContact CG-CD1 3.75Å; R59-L61 HydrophobicContact CG-CG 4.37Å; L61-Q64 HydrophobicContact CB-CG 3.57Å; L61-T217 CarbonylContact O-C 3.51Å; L61-T217 WeakPolarHBondContact O-CA 3.35Å; L61-L218 HydrophobicContact CD1-CD2 4.5Å; L61-L218 PolarHBondContact N-O 2.87Å; L61-L218 PolarHBondContact O-N 2.88Å |
| 62 | R | 97.7 | Very high | 95 | Very high | 51 Ų | 51 | 45 Ų | 45 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -83.9 | 166.5 | 170.5 | -63.5 | -163.7 | -175.1 | -100.5 | -4.6 | 111.6 | D46 S47 Q64 D211 W212 G216 | D46-R62 WeakPolarHBondContact O-CD 3.43Å; D46-R62 PolarHBondContact O-NE 2.97Å; S47-R62 PolarHBondContact O-N 3.5Å; R62-Q64 PolarHBondContact O-N 3.18Å; R62-Q64 PolarHBondContact O-NE2 3.49Å; R62-D211 PolarHBondContact NH2-O 3.24Å; R62-W212 HydrophobicContact CG-CE3 4.02Å; R62-W212 HydrophobicContact CG-CZ3 3.71Å; R62-G216 CarbonylContact C-O 3.48Å |
| 63 | N | 96.9 | Very high | 95.1 | Very high | 138 Ų | 138 | 45.2 Ų | 45.2 | 74% | 0.738 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 55.7 | 33.1 | 172.7 | -51.6 | -36.5 | 0 | 0 | 0 | 113.1 | G216 | N63-G216 PolarHBondContact N-O 3.48Š|
| 64 | Q | 98 | Very high | 95.3 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 144.5 | 176.7 | -60.5 | -53.1 | -64.2 | 0 | 0 | 109.9 | L61 R62 Y173 G216 L218 | L61-Q64 HydrophobicContact CB-CG 3.57Å; R62-Q64 PolarHBondContact O-N 3.18Å; R62-Q64 PolarHBondContact O-NE2 3.49Å; Q64-Y173 HydrophobicContact CB-CE2 4.37Å; Q64-Y173 PolarHBondContact O-OH 3.32Å; Q64-G216 PolarHBondContact N-O 2.92Å; Q64-L218 HydrophobicContact CB-CB 4.02Å; Q64-L218 HydrophobicContact CG-CB 3.86Å |
| 65 | P | 96.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 66% | 0.656 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -68 | 163.5 | 170.2 | 31.3 | -35.3 | 0 | 0 | 0 | 110.6 | P67 Y173 | P65-P67 WeakPolarHBondContact O-CD 3.48Å; P65-Y173 WeakPolarHBondContact O-CE2 3.49Å |
| 66 | Q | 95.8 | Very high | 96 | Very high | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 122.2 | 172.7 | -169.3 | -178.8 | 42.5 | 0 | 0 | 109.6 | V68 S70 Y173 D175 | Q66-V68 VanDerWaalsContact CG-O 3.24Å; Q66-V68 WeakPolarHBondContact CG-O 3.18Å; Q66-V68 PolarHBondContact O-N 3.47Å; Q66-V68 PolarHBondContact OE1-O 3.1Å; Q66-S70 PolarHBondContact NE2-OG 3.43Å; Q66-S70 PolarHBondContact OE1-OG 3.19Å; Q66-Y173 HydrophobicContact CB-CE1 3.95Å; Q66-Y173 HydrophobicContact CG-CD1 4.29Å; Q66-Y173 HydrophobicContact CG-CE1 3.93Å; Q66-Y173 PolarHBondContact N-OH 2.93Å; Q66-D175 PolarHBondContact NE2-OD1 2.92Å |
| 67 | P | 95.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -69.9 | -23.8 | -173.4 | 26 | -34.9 | 0 | 0 | 0 | 112.9 | P65 L163 Y173 L218 | P65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-L163 HydrophobicContact CB-CD1 4.05Å; P67-L163 HydrophobicContact CG-CD1 3.73Å; P67-Y173 VanDerWaalsContact CD-CG 3.43Å; P67-Y173 HydrophobicContact CG-CD1 4.47Å; P67-Y173 HydrophobicContact CG-CD2 4.36Å; P67-Y173 HydrophobicContact CG-CG 4.02Å; P67-L218 HydrophobicContact CG-CD1 4.49Å |
| 68 | V | 95.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -141.7 | 129.1 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | Q66 R72 F73 L135 L140 L163 | Q66-V68 VanDerWaalsContact CG-O 3.24Å; Q66-V68 WeakPolarHBondContact CG-O 3.18Å; Q66-V68 PolarHBondContact O-N 3.47Å; Q66-V68 PolarHBondContact OE1-O 3.1Å; V68-R72 HydrophobicContact CG1-CB 4.15Å; V68-F73 HydrophobicContact CB-CE2 4.2Å; V68-F73 HydrophobicContact CB-CZ 4.49Å; V68-F73 HydrophobicContact CG1-CE2 3.98Å; V68-F73 HydrophobicContact CG1-CZ 4.45Å; V68-L135 HydrophobicContact CG1-CD1 3.5Å; V68-L140 HydrophobicContact CG2-CD2 3.77Å; V68-L163 HydrophobicContact CG2-CD1 3.65Å; V68-L163 HydrophobicContact CG2-CD2 4.02Å |
| 69 | P | 96 | Very high | 94.8 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | trans | -57.2 | 143.4 | 177.6 | -24.9 | 33.4 | 0 | 0 | 0 | 113.5 | E71 R72 | P69-E71 VanDerWaalsContact C-N 3.29Å; P69-E71 HydrophobicContact CB-CG 4.4Å; P69-E71 WeakPolarHBondContact CB-OE1 3.35Å; P69-E71 WeakPolarHBondContact CB-OE2 3.25Å; P69-E71 PolarHBondContact O-N 3.32Å; P69-R72 PolarHBondContact O-N 2.93Å | ||
| 70 | S | 94.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 69 Ų | 69 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -65.5 | -29.6 | -171.1 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | Q66 R72 F73 K144 | Q66-S70 PolarHBondContact NE2-OG 3.43Å; Q66-S70 PolarHBondContact OE1-OG 3.19Å; S70-R72 PolarHBondContact O-N 3.33Å; S70-F73 PolarHBondContact O-N 3.42Å; S70-K144 PolarHBondContact OG-NZ 3.42Å |
| 71 | E | 95.8 | Very high | 93.7 | Very high | 140 Ų | 140 | 71.5 Ų | 71.5 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -66.7 | -18.1 | 179.3 | 65.6 | -84.7 | -164.5 | 0 | 0 | 113.7 | P69 F73 I74 | P69-E71 VanDerWaalsContact C-N 3.29Å; P69-E71 HydrophobicContact CB-CG 4.4Å; P69-E71 WeakPolarHBondContact CB-OE1 3.35Å; P69-E71 WeakPolarHBondContact CB-OE2 3.25Å; P69-E71 PolarHBondContact O-N 3.32Å; E71-F73 VanDerWaalsContact C-N 3.28Å; E71-F73 PolarHBondContact O-N 2.89Å; E71-I74 WeakPolarHBondContact O-CG1 3.42Å |
| 72 | R | 96.8 | Very high | 93.2 | Very high | 85 Ų | 85 | 72.1 Ų | 72.1 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -76.2 | -15.5 | 175.8 | -67.8 | 179.7 | 62.1 | -170.4 | -0.2 | 113.1 | V68 P69 S70 I74 L135 E137 | V68-R72 HydrophobicContact CG1-CB 4.15Å; P69-R72 PolarHBondContact O-N 2.93Å; S70-R72 PolarHBondContact O-N 3.33Å; R72-I74 PolarHBondContact O-N 3.43Å; R72-L135 HydrophobicContact CB-CD1 3.75Å; R72-L135 HydrophobicContact CB-CG 4.45Å; R72-E137 IonicContact CZ-OE1 2.78Å; R72-E137 VanDerWaalsContact CZ-OE1 3.25Å; R72-E137 IonicContact CZ-OE2 2.89Å; R72-E137 IonicContact NE-OE1 2.67Å; R72-E137 PolarHBondContact NE-OE1 3.46Å; R72-E137 IonicContact NE-OE2 2.75Å; R72-E137 IonicContact NH2-OE1 2.99Å; R72-E137 PolarHBondContact NH2-OE1 3.46Å; R72-E137 IonicContact NH2-OE2 3.2Å; R72-E137 PolarHBondContact NH2-OE2 3.34Å |
| 73 | F | 96.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | trans | -87.2 | 84.1 | 174.4 | -63.3 | -94.9 | 0 | 0 | 0 | 109.4 | V68 S70 E71 R133 L135 K144 T161 L163 | V68-F73 HydrophobicContact CB-CE2 4.2Å; V68-F73 HydrophobicContact CB-CZ 4.49Å; V68-F73 HydrophobicContact CG1-CE2 3.98Å; V68-F73 HydrophobicContact CG1-CZ 4.45Å; S70-F73 PolarHBondContact O-N 3.42Å; E71-F73 VanDerWaalsContact C-N 3.28Å; E71-F73 PolarHBondContact O-N 2.89Å; F73-R133 HydrophobicContact CB-CB 3.84Å; F73-R133 WeakPolarHBondContact O-CB 3.46Å; F73-R133 WeakPolarHBondContact O-CD 3.42Å; F73-L135 HydrophobicContact CD1-CB 3.64Å; F73-L135 HydrophobicContact CE1-CB 3.73Å; F73-L135 HydrophobicContact CE2-CD1 4.36Å; F73-L135 HydrophobicContact CG-CB 4.16Å; F73-L135 HydrophobicContact CZ-CB 4.3Å; F73-L135 HydrophobicContact CZ-CD1 4.27Å; F73-K144 HydrophobicContact CB-CB 4.31Å; F73-K144 HydrophobicContact CD1-CB 3.59Å; F73-K144 HydrophobicContact CD2-CB 4.19Å; F73-K144 HydrophobicContact CD2-CD 4.3Å; F73-K144 HydrophobicContact CE1-CB 3.85Å; F73-K144 HydrophobicContact CE2-CB 4.42Å; F73-K144 HydrophobicContact CG-CB 3.77Å; F73-K144 HydrophobicContact CZ-CB 4.26Å; F73-T161 HydrophobicContact CE1-CG2 4Å; F73-T161 HydrophobicContact CE2-CG2 4.34Å; F73-T161 HydrophobicContact CZ-CG2 3.49Å; F73-T161 VanDerWaalsContact CZ-CG2 3.49Å; F73-L163 HydrophobicContact CE1-CD2 4.4Å; F73-L163 HydrophobicContact CZ-CD2 3.93Å | ||
| 74 | I | 95 | Very high | 91.8 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | trans | -93.4 | -37.9 | -168.9 | -58.7 | 166.8 | 0 | 0 | 0 | 111.8 | E71 R72 M76 V134 | E71-I74 WeakPolarHBondContact O-CG1 3.42Å; R72-I74 PolarHBondContact O-N 3.43Å; I74-M76 PolarHBondContact O-N 3.43Å; I74-V134 PolarHBondContact N-O 2.93Å | ||
| 75 | N | 93.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 113.7 | -166.9 | -65.2 | -30.7 | 0 | 0 | 0 | 111.4 | Y81 R133 V134 | N75-Y81 HydrophobicContact CB-CD2 4.24Å; N75-Y81 HydrophobicContact CB-CE2 3.67Å; N75-Y81 PolarHBondContact ND2-OH 3.15Å; N75-Y81 VanDerWaalsContact ND2-OH 3.08Å; N75-R133 CarbonylContact O-C 3.42Å; N75-R133 VanDerWaalsContact O-CA 3.3Å; N75-R133 WeakPolarHBondContact O-CA 3.36Å; N75-V134 HydrophobicContact CB-CB 4.18Å; N75-V134 PolarHBondContact N-O 3.44Å; N75-V134 PolarHBondContact O-N 3.44Å |
| 76 | M | 92.8 | Very high | 89.4 | Confident | 103 Ų | 103 | 68 Ų | 68 | 51% | 0.507 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 138.1 | 175.7 | -171.6 | 171.6 | -179.3 | 0 | 0 | 111.4 | I74 E131 | I74-M76 PolarHBondContact O-N 3.43Å; M76-E131 HydrophobicContact CE-CG 4.41Å |
| 77 | I | 88.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | trans | -88.5 | 117.2 | 172.1 | -52.4 | -175.3 | 0 | 0 | 0 | 109.3 | F101 E103 S132 V134 V143 | I77-F101 HydrophobicContact CD1-CB 3.49Å; I77-F101 VanDerWaalsContact CD1-CB 3.49Å; I77-E103 HydrophobicContact CG2-CB 4.21Å; I77-S132 PolarHBondContact N-O 3.49Å; I77-V134 HydrophobicContact CD1-CG2 3.53Å; I77-V134 HydrophobicContact CG1-CG2 3.5Å; I77-V143 HydrophobicContact CD1-CG2 3.85Å | ||
| 78 | N | 86 | Confident | 86.9 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -110.8 | 109.8 | 167.1 | -63.7 | -23.1 | 0 | 0 | 0 | 107.5 | K80 | N78-K80 PolarHBondContact O-N 2.94Š|
| 79 | D | 83.9 | Confident | 85.9 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 62.4 | -65.7 | -166 | 174.1 | 43.7 | 0 | 0 | 0 | 114.2 | E103 | D79-E103 WeakPolarHBondContact CA-OE2 3.39Å; D79-E103 PolarHBondContact N-OE2 3.02Å; D79-E103 WeakPolarHBondContact O-CB 3.22Å; D79-E103 PolarHBondContact O-N 2.72Å |
| 80 | K | 85.2 | Confident | 85.1 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.7 | -178.8 | 69.7 | -165.3 | 171.7 | -148.9 | 0 | 112.9 | N78 R100 F101 | N78-K80 PolarHBondContact O-N 2.94Å; K80-R100 HydrophobicContact CB-CG 4.21Å; K80-F101 CarbonylContact C-O 3.59Å; K80-F101 VanDerWaalsContact CA-O 3.29Å; K80-F101 WeakPolarHBondContact CA-O 3.36Å |
| 81 | Y | 88.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 65 Ų | 65 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.1 | 170.1 | -172.5 | -80.5 | 0 | 0 | 0 | 109.5 | N75 A83 R100 F101 V134 D136 | N75-Y81 HydrophobicContact CB-CD2 4.24Å; N75-Y81 HydrophobicContact CB-CE2 3.67Å; N75-Y81 PolarHBondContact ND2-OH 3.15Å; N75-Y81 VanDerWaalsContact ND2-OH 3.08Å; Y81-A83 HydrophobicContact CD1-CB 4.44Å; Y81-A83 HydrophobicContact CE1-CB 4.17Å; Y81-R100 CarbonylContact O-C 3.53Å; Y81-R100 WeakPolarHBondContact O-CA 3.34Å; Y81-F101 HydrophobicContact CD1-CD2 4.2Å; Y81-F101 PolarHBondContact N-O 3.46Å; Y81-F101 PolarHBondContact O-N 3.25Å; Y81-V134 HydrophobicContact CD1-CB 4.27Å; Y81-V134 HydrophobicContact CD1-CG1 3.83Å; Y81-V134 HydrophobicContact CD1-CG2 4.09Å; Y81-V134 HydrophobicContact CE1-CB 4.46Å; Y81-V134 HydrophobicContact CE1-CG1 3.8Å; Y81-V134 HydrophobicContact CG-CB 4.41Å; Y81-V134 HydrophobicContact CG-CG1 4.46Å; Y81-V134 HydrophobicContact CG-CG2 4.02Å; Y81-D136 HydrophobicContact CE1-CB 4.14Å; Y81-D136 VanDerWaalsContact CE1-OD2 3.27Å; Y81-D136 WeakPolarHBondContact CE1-OD2 3.45Å; Y81-D136 PolarHBondContact OH-OD2 2.94Å |
| 82 | V | 86.5 | Confident | 83.9 | Confident | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.2 | 179 | 168 | 0 | 0 | 0 | 0 | 108.7 | K98 R100 | V82-K98 HydrophobicContact CG1-CD 3.72Å; V82-K98 HydrophobicContact CG1-CG 4.07Å; V82-K98 VanDerWaalsContact CG1-NZ 3.34Å; V82-R100 HydrophobicContact CG2-CG 4.17Å |
| 83 | A | 85 | Confident | 83.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y81 K98 I99 F101 F141 | Y81-A83 HydrophobicContact CD1-CB 4.44Å; Y81-A83 HydrophobicContact CE1-CB 4.17Å; A83-K98 WeakPolarHBondContact O-CA 3.4Å; A83-I99 PolarHBondContact N-O 3.35Å; A83-I99 PolarHBondContact O-N 2.84Å; A83-F101 HydrophobicContact CB-CD2 4.32Å; A83-F101 HydrophobicContact CB-CE2 3.78Å; A83-F141 HydrophobicContact CB-CD1 4.05Å; A83-F141 HydrophobicContact CB-CE1 4.39Å; A83-F141 HydrophobicContact CB-CG 4.46Å |
| 84 | N | 81.3 | Confident | 82.3 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.8 | 174.2 | -60.5 | -63.8 | 0 | 0 | 0 | 108.3 | Q86 | N84-Q86 PolarHBondContact O-N 2.8Å |
| 85 | A | 73.4 | Confident | 81.5 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 122.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F87 F89 E97 F141 | A85-F87 HydrophobicContact CB-CD2 4.39Å; A85-F87 HydrophobicContact CB-CE2 4.37Å; A85-F87 WeakPolarHBondContact CB-O 3.46Å; A85-F87 PolarHBondContact O-N 3.39Å; A85-F89 HydrophobicContact CB-CE1 4.4Å; A85-E97 WeakPolarHBondContact CA-O 3.48Å; A85-E97 WeakPolarHBondContact CB-O 3.38Å; A85-E97 PolarHBondContact N-O 3.32Å; A85-F141 VanDerWaalsContact CA-CE2 3.5Å; A85-F141 HydrophobicContact CB-CD2 4.5Å; A85-F141 HydrophobicContact CB-CE2 3.51Å; A85-F141 HydrophobicContact CB-CZ 4.09Å |
| 86 | Q | 70.4 | Confident | 80.5 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -0.1 | 168.4 | -63 | -169.7 | 7.1 | 0 | 0 | 112.2 | N84 | N84-Q86 PolarHBondContact O-N 2.8Å |
| 87 | F | 69.1 | Low | 79.7 | Confident | 32 Ų | 32 | 59 Ų | 59 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.5 | -179.3 | 54.7 | -94.6 | 0 | 0 | 0 | 109.9 | A85 F89 K138 F141 T166 | A85-F87 HydrophobicContact CB-CD2 4.39Å; A85-F87 HydrophobicContact CB-CE2 4.37Å; A85-F87 WeakPolarHBondContact CB-O 3.46Å; A85-F87 PolarHBondContact O-N 3.39Å; F87-F89 HydrophobicContact CD2-CB 4.08Å; F87-F89 AromaticContact CD2-CD1 3.92Å; F87-F89 HydrophobicContact CD2-CD1 3.92Å; F87-F89 HydrophobicContact CD2-CG 4.45Å; F87-F89 HydrophobicContact CE2-CB 4.1Å; F87-F89 AromaticContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CE1 4.3Å; F87-F89 HydrophobicContact CE2-CG 4.12Å; F87-K138 WeakPolarHBondContact CD1-O 3.25Å; F87-K138 WeakPolarHBondContact CE1-O 3.47Å; F87-F141 HydrophobicContact CD1-CE2 4.24Å; F87-F141 HydrophobicContact CE1-CD2 4.02Å; F87-F141 AromaticContact CE1-CE2 3.26Å; F87-F141 HydrophobicContact CE1-CE2 3.26Å; F87-F141 AromaticContact CE1-CZ 3.71Å; F87-F141 HydrophobicContact CE1-CZ 3.71Å; F87-F141 HydrophobicContact CE2-CD2 4.43Å; F87-F141 HydrophobicContact CE2-CE2 4.07Å; F87-F141 AromaticContact CZ-CD2 3.54Å; F87-F141 HydrophobicContact CZ-CD2 3.54Å; F87-F141 AromaticContact CZ-CE2 3.17Å; F87-F141 HydrophobicContact CZ-CE2 3.17Å; F87-F141 HydrophobicContact CZ-CZ 4.1Å; F87-T166 HydrophobicContact CD1-CG2 3.46Å; F87-T166 VanDerWaalsContact CD1-CG2 3.46Å; F87-T166 HydrophobicContact CD2-CG2 4.19Å; F87-T166 HydrophobicContact CE1-CG2 3.47Å; F87-T166 VanDerWaalsContact CE1-CG2 3.47Å; F87-T166 VanDerWaalsContact CE2-CA 3.44Å; F87-T166 HydrophobicContact CE2-CG2 4.24Å; F87-T166 HydrophobicContact CG-CG2 3.8Å; F87-T166 HydrophobicContact CZ-CG2 3.86Å |
| 88 | S | 70.3 | Confident | 79.3 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.3 | 169.3 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | L96 | S88-L96 WeakPolarHBondContact CA-O 3.28Å |
| 89 | F | 73.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 156.1 | 171.2 | 69.3 | -81.7 | 0 | 0 | 0 | 111.5 | A85 F87 R95 L96 I99 I164 | A85-F89 HydrophobicContact CB-CE1 4.4Å; F87-F89 HydrophobicContact CD2-CB 4.08Å; F87-F89 AromaticContact CD2-CD1 3.92Å; F87-F89 HydrophobicContact CD2-CD1 3.92Å; F87-F89 HydrophobicContact CD2-CG 4.45Å; F87-F89 HydrophobicContact CE2-CB 4.1Å; F87-F89 AromaticContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CE1 4.3Å; F87-F89 HydrophobicContact CE2-CG 4.12Å; F89-R95 WeakPolarHBondContact O-CA 3.34Å; F89-L96 HydrophobicContact CD1-CB 3.93Å; F89-L96 HydrophobicContact CD2-CB 4.43Å; F89-L96 HydrophobicContact CD2-CD1 3.82Å; F89-L96 HydrophobicContact CE1-CB 3.6Å; F89-L96 HydrophobicContact CE1-CD1 4.04Å; F89-L96 HydrophobicContact CE1-CG 4.49Å; F89-L96 HydrophobicContact CE2-CB 4.18Å; F89-L96 HydrophobicContact CE2-CD1 3.17Å; F89-L96 HydrophobicContact CE2-CG 4.22Å; F89-L96 HydrophobicContact CG-CB 4.33Å; F89-L96 HydrophobicContact CZ-CB 3.74Å; F89-L96 HydrophobicContact CZ-CD1 3.27Å; F89-L96 HydrophobicContact CZ-CG 4.16Å; F89-L96 PolarHBondContact N-O 2.92Å; F89-L96 PolarHBondContact O-N 3.4Å; F89-I99 HydrophobicContact CE1-CD1 3.89Å; F89-I99 HydrophobicContact CE1-CG1 4.29Å; F89-I99 HydrophobicContact CZ-CD1 3.68Å; F89-I99 HydrophobicContact CZ-CG1 3.9Å; F89-I164 HydrophobicContact CD2-CG2 4.2Å; F89-I164 HydrophobicContact CE1-CG2 4.3Å; F89-I164 HydrophobicContact CE2-CG2 3.71Å; F89-I164 HydrophobicContact CZ-CG2 3.79Å |
| 90 | S | 79.4 | Confident | 79.2 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.3 | -178.7 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | Y94 | S90-Y94 CarbonylContact C-O 3.56Å; S90-Y94 WeakPolarHBondContact CA-O 3.17Å |
| 91 | F | 84.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.6 | 172 | -176.3 | -97.7 | 0 | 0 | 0 | 109.9 | Y56 G93 Y94 L96 V109 V117 I120 I170 I190 V191 | Y56-F91 WeakPolarHBondContact OH-CA 3.41Å; F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.11Å; F91-Y94 PolarHBondContact N-O 3.31Å; F91-Y94 WeakPolarHBondContact O-CB 3.37Å; F91-Y94 PolarHBondContact O-N 2.97Å; F91-L96 HydrophobicContact CB-CD1 3.22Å; F91-L96 HydrophobicContact CB-CG 3.99Å; F91-L96 HydrophobicContact CD1-CD1 4.48Å; F91-L96 HydrophobicContact CG-CD1 3.96Å; F91-V109 HydrophobicContact CD1-CG1 4.28Å; F91-V109 HydrophobicContact CG-CG1 4.45Å; F91-V117 HydrophobicContact CD1-CG2 4.16Å; F91-I120 HydrophobicContact CE2-CD1 4.46Å; F91-I120 HydrophobicContact CE2-CG1 4.17Å; F91-I120 HydrophobicContact CZ-CG1 4.42Å; F91-I170 HydrophobicContact CD2-CD1 3.69Å; F91-I170 HydrophobicContact CE2-CD1 3.61Å; F91-I190 HydrophobicContact CE2-CB 4.39Å; F91-V191 WeakPolarHBondContact CE1-O 3.33Å; F91-V191 VanDerWaalsContact CZ-O 3.27Å; F91-V191 WeakPolarHBondContact CZ-O 3.22Å |
| 92 | Y | 81.9 | Confident | 78.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 38.8 | -172.9 | -73.9 | -98.1 | 0 | 0 | 0 | 113.2 | Y56 Y94 I190 I194 R204 | Y56-Y92 HydrophobicContact CD2-CE2 4.46Å; Y56-Y92 HydrophobicContact CE2-CD1 4.23Å; Y56-Y92 AromaticContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CE1 4.17Å; Y56-Y92 AromaticContact CE2-CE2 3.66Å; Y56-Y92 HydrophobicContact CE2-CE2 3.66Å; Y56-Y92 HydrophobicContact CE2-CG 4.02Å; Y56-Y92 AromaticContact CE2-CZ 3.91Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y92-Y94 VanDerWaalsContact C-N 3.32Å; Y92-Y94 PolarHBondContact O-N 3.35Å; Y92-I190 HydrophobicContact CE2-CD1 4.26Å; Y92-I190 HydrophobicContact CE2-CG1 4.47Å; Y92-I194 HydrophobicContact CD1-CD1 4.4Å; Y92-R204 HydrophobicContact CD1-CB 4.47Å; Y92-R204 HydrophobicContact CE1-CB 3.75Å; Y92-R204 PolarHBondContact OH-O 3.48Å |
| 93 | G | 78.8 | Confident | 78.2 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -5.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F91 | F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.11Å |
| 94 | Y | 79.6 | Confident | 77.6 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138.5 | 175.2 | -61.6 | -73.3 | 0 | 0 | 0 | 111.8 | S90 F91 Y92 K111 V117 S193 | S90-Y94 CarbonylContact C-O 3.56Å; S90-Y94 WeakPolarHBondContact CA-O 3.17Å; F91-Y94 PolarHBondContact N-O 3.31Å; F91-Y94 WeakPolarHBondContact O-CB 3.37Å; F91-Y94 PolarHBondContact O-N 2.97Å; Y92-Y94 VanDerWaalsContact C-N 3.32Å; Y92-Y94 PolarHBondContact O-N 3.35Å; Y94-K111 HydrophobicContact CD1-CD 4.04Å; Y94-K111 HydrophobicContact CE1-CD 4.42Å; Y94-V117 HydrophobicContact CD1-CG1 4.13Å; Y94-V117 HydrophobicContact CD2-CB 3.66Å; Y94-V117 HydrophobicContact CD2-CG1 3.78Å; Y94-V117 HydrophobicContact CD2-CG2 4.18Å; Y94-V117 HydrophobicContact CE1-CG1 4.47Å; Y94-V117 HydrophobicContact CE2-CB 4.09Å; Y94-V117 HydrophobicContact CE2-CG1 4.14Å; Y94-V117 HydrophobicContact CG-CB 4.09Å; Y94-V117 HydrophobicContact CG-CG1 3.77Å; Y94-V117 HydrophobicContact CG-CG2 4.41Å; Y94-S193 VanDerWaalsContact CE2-O 3.3Å; Y94-S193 WeakPolarHBondContact CE2-O 3.1Å |
| 95 | R | 79.1 | Confident | 76.9 | Confident | 193 Ų | 193 | 53.9 Ų | 53.9 | 73% | 0.728 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.1 | 166.7 | -68.6 | -175.2 | 178.5 | -175.6 | -2.2 | 110 | F89 | F89-R95 WeakPolarHBondContact O-CA 3.34Å |
| 96 | L | 72.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.5 | -176.5 | -58 | 177.5 | 0 | 0 | 0 | 111.6 | S88 F89 F91 V109 Y110 K111 V117 | S88-L96 WeakPolarHBondContact CA-O 3.28Å; F89-L96 HydrophobicContact CD1-CB 3.93Å; F89-L96 HydrophobicContact CD2-CB 4.43Å; F89-L96 HydrophobicContact CD2-CD1 3.82Å; F89-L96 HydrophobicContact CE1-CB 3.6Å; F89-L96 HydrophobicContact CE1-CD1 4.04Å; F89-L96 HydrophobicContact CE1-CG 4.49Å; F89-L96 HydrophobicContact CE2-CB 4.18Å; F89-L96 HydrophobicContact CE2-CD1 3.17Å; F89-L96 HydrophobicContact CE2-CG 4.22Å; F89-L96 HydrophobicContact CG-CB 4.33Å; F89-L96 HydrophobicContact CZ-CB 3.74Å; F89-L96 HydrophobicContact CZ-CD1 3.27Å; F89-L96 HydrophobicContact CZ-CG 4.16Å; F89-L96 PolarHBondContact N-O 2.92Å; F89-L96 PolarHBondContact O-N 3.4Å; F91-L96 HydrophobicContact CB-CD1 3.22Å; F91-L96 HydrophobicContact CB-CG 3.99Å; F91-L96 HydrophobicContact CD1-CD1 4.48Å; F91-L96 HydrophobicContact CG-CD1 3.96Å; L96-V109 HydrophobicContact CD1-CG1 3.11Å; L96-V109 HydrophobicContact CD2-CG1 3.8Å; L96-V109 HydrophobicContact CG-CG1 4.06Å; L96-Y110 VanDerWaalsContact CD2-O 3.26Å; L96-Y110 WeakPolarHBondContact CD2-O 3.21Å; L96-K111 HydrophobicContact CD2-CB 4.28Å; L96-V117 HydrophobicContact CD2-CG2 3.56Å |
| 97 | E | 76.8 | Confident | 77.1 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -8.2 | 176.2 | -67.3 | -178.5 | -167 | 0 | 0 | 112.1 | A85 F112 | A85-E97 WeakPolarHBondContact CA-O 3.48Å; A85-E97 WeakPolarHBondContact CB-O 3.38Å; A85-E97 PolarHBondContact N-O 3.32Å; E97-F112 WeakPolarHBondContact OE1-CD2 3.25Å; E97-F112 WeakPolarHBondContact OE2-CD2 3.45Å |
| 98 | K | 79.1 | Confident | 77.4 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 137.6 | -172.4 | 172.7 | 170 | 160.5 | 161.3 | 0 | 111.7 | V82 A83 Y110 | V82-K98 HydrophobicContact CG1-CD 3.72Å; V82-K98 HydrophobicContact CG1-CG 4.07Å; V82-K98 VanDerWaalsContact CG1-NZ 3.34Å; A83-K98 WeakPolarHBondContact O-CA 3.4Å; K98-Y110 PolarHBondContact O-N 2.9Å |
| 99 | I | 82.5 | Confident | 77.4 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.7 | 168.9 | -62.3 | 143.9 | 0 | 0 | 0 | 107.9 | A83 F89 F101 F141 I164 | A83-I99 PolarHBondContact N-O 3.35Å; A83-I99 PolarHBondContact O-N 2.84Å; F89-I99 HydrophobicContact CE1-CD1 3.89Å; F89-I99 HydrophobicContact CE1-CG1 4.29Å; F89-I99 HydrophobicContact CZ-CD1 3.68Å; F89-I99 HydrophobicContact CZ-CG1 3.9Å; I99-F101 HydrophobicContact CB-CE2 4.49Å; I99-F101 HydrophobicContact CB-CZ 4.34Å; I99-F101 HydrophobicContact CG2-CD1 4Å; I99-F101 HydrophobicContact CG2-CD2 4.37Å; I99-F101 HydrophobicContact CG2-CE1 3.63Å; I99-F101 HydrophobicContact CG2-CE2 4.04Å; I99-F101 HydrophobicContact CG2-CG 4.35Å; I99-F101 HydrophobicContact CG2-CZ 3.65Å; I99-F141 HydrophobicContact CD1-CB 4.39Å; I99-F141 HydrophobicContact CD1-CD2 3.92Å; I99-F141 HydrophobicContact CD1-CG 4.41Å; I99-I164 HydrophobicContact CD1-CB 4.35Å; I99-I164 HydrophobicContact CD1-CD1 3.43Å; I99-I164 VanDerWaalsContact CD1-CD1 3.43Å; I99-I164 HydrophobicContact CD1-CG1 4.47Å; I99-I164 HydrophobicContact CD1-CG2 4.16Å; I99-I164 HydrophobicContact CG1-CD1 4.08Å; I99-I164 HydrophobicContact CG2-CD1 4.35Å |
| 100 | R | 86 | Confident | 76.9 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.7 | 168.5 | -169.3 | -177.3 | -64.5 | 167.1 | 8.9 | 108.3 | K80 Y81 V82 H102 H108 Y110 | K80-R100 HydrophobicContact CB-CG 4.21Å; Y81-R100 CarbonylContact O-C 3.53Å; Y81-R100 WeakPolarHBondContact O-CA 3.34Å; V82-R100 HydrophobicContact CG2-CG 4.17Å; R100-H102 VanDerWaalsContact CD-CE1 3.43Å; R100-H102 WeakPolarHBondContact CD-CE1 3.41Å; R100-H102 WeakPolarHBondContact CD-NE2 3.31Å; R100-H108 PolarHBondContact N-O 3.19Å; R100-H108 PolarHBondContact O-N 2.97Å; R100-H108 VanDerWaalsContact O-N 3.08Å; R100-Y110 HydrophobicContact CB-CD2 4.17Å; R100-Y110 HydrophobicContact CB-CE2 3.59Å; R100-Y110 PolarHBondContact NH1-OH 3.28Å; R100-Y110 VanDerWaalsContact NH1-OH 3.14Å |
| 101 | F | 85 | Confident | 76.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 130 | 169.6 | -56.7 | -70.7 | 0 | 0 | 0 | 108.7 | I77 K80 Y81 A83 I99 D107 V134 F141 V143 I164 | I77-F101 HydrophobicContact CD1-CB 3.49Å; I77-F101 VanDerWaalsContact CD1-CB 3.49Å; K80-F101 CarbonylContact C-O 3.59Å; K80-F101 VanDerWaalsContact CA-O 3.29Å; K80-F101 WeakPolarHBondContact CA-O 3.36Å; Y81-F101 HydrophobicContact CD1-CD2 4.2Å; Y81-F101 PolarHBondContact N-O 3.46Å; Y81-F101 PolarHBondContact O-N 3.25Å; A83-F101 HydrophobicContact CB-CD2 4.32Å; A83-F101 HydrophobicContact CB-CE2 3.78Å; I99-F101 HydrophobicContact CB-CE2 4.49Å; I99-F101 HydrophobicContact CB-CZ 4.34Å; I99-F101 HydrophobicContact CG2-CD1 4Å; I99-F101 HydrophobicContact CG2-CD2 4.37Å; I99-F101 HydrophobicContact CG2-CE1 3.63Å; I99-F101 HydrophobicContact CG2-CE2 4.04Å; I99-F101 HydrophobicContact CG2-CG 4.35Å; I99-F101 HydrophobicContact CG2-CZ 3.65Å; F101-D107 VanDerWaalsContact CA-OD1 3.25Å; F101-D107 WeakPolarHBondContact CA-OD1 3.46Å; F101-D107 HydrophobicContact CD1-CB 4.33Å; F101-V134 HydrophobicContact CB-CG2 4.18Å; F101-V134 HydrophobicContact CD2-CG1 3.93Å; F101-V134 HydrophobicContact CD2-CG2 3.86Å; F101-V134 HydrophobicContact CE2-CG1 3.92Å; F101-V134 HydrophobicContact CG-CG2 4.16Å; F101-F141 HydrophobicContact CZ-CB 4.21Å; F101-V143 HydrophobicContact CD1-CB 3.76Å; F101-V143 HydrophobicContact CD1-CG1 3.61Å; F101-V143 HydrophobicContact CE1-CB 4.02Å; F101-V143 HydrophobicContact CE1-CG1 3.78Å; F101-V143 HydrophobicContact CG-CB 4.26Å; F101-I164 HydrophobicContact CE1-CD1 4.47Å |
| 102 | H | 80.8 | Confident | 74.6 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 152.7 | 177.1 | -76.1 | -82.5 | 0 | 0 | 0 | 110.6 | R100 Y104 T106 D107 H108 R145 | R100-H102 VanDerWaalsContact CD-CE1 3.43Å; R100-H102 WeakPolarHBondContact CD-CE1 3.41Å; R100-H102 WeakPolarHBondContact CD-NE2 3.31Å; H102-Y104 CarbonylContact C-O 3.56Å; H102-Y104 VanDerWaalsContact C-O 3.29Å; H102-Y104 WeakPolarHBondContact CB-O 3.44Å; H102-Y104 VanDerWaalsContact O-O 3.14Å; H102-T106 PolarHBondContact CD2-O 2.98Å; H102-D107 PolarHBondContact N-OD1 3.4Å; H102-H108 AromaticContact CD2-CG 3.83Å; H102-H108 AromaticContact CD2-ND1 3.48Å; H102-H108 PolarHBondContact CD2-ND1 2.88Å; H102-H108 AromaticContact CE1-ND1 3.99Å; H102-H108 AromaticContact NE2-CE1 3.73Å; H102-H108 AromaticContact NE2-CG 3.7Å; H102-H108 AromaticContact NE2-ND1 2.98Å; H102-H108 PolarHBondContact NE2-ND1 3.14Å; H102-R145 PolarHBondContact O-NH2 3.27Å |
| 103 | E | 72.6 | Confident | 73.4 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -65.1 | -43.1 | 169.1 | -177.3 | 177.7 | 178 | 0 | 0 | 110.3 | I77 D79 | I77-E103 HydrophobicContact CG2-CB 4.21Å; D79-E103 WeakPolarHBondContact CA-OE2 3.39Å; D79-E103 PolarHBondContact N-OE2 3.02Å; D79-E103 WeakPolarHBondContact O-CB 3.22Å; D79-E103 PolarHBondContact O-N 2.72Å |
| 104 | Y | 73.5 | Confident | 72.6 | Confident | 163 Ų | 163 | 63.8 Ų | 63.8 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -64.2 | 140.3 | 163.2 | -65.2 | -75.8 | 0 | 0 | 0 | 109.6 | H102 T106 | H102-Y104 CarbonylContact C-O 3.56Å; H102-Y104 VanDerWaalsContact C-O 3.29Å; H102-Y104 WeakPolarHBondContact CB-O 3.44Å; H102-Y104 VanDerWaalsContact O-O 3.14Å; Y104-T106 PolarHBondContact O-N 3.45Å |
| 105 | P | 66.5 | Low | 72.4 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.071 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -87.9 | 38.6 | -157 | 40.4 | -43.3 | 0 | 0 | 0 | 113.8 | H123 Y127 F147 | P105-H123 HydrophobicContact CB-CB 3.37Å; P105-H123 HydrophobicContact CG-CB 3.73Å; P105-H123 VanDerWaalsContact CG-CD2 3.44Å; P105-H123 WeakPolarHBondContact CG-CD2 3.49Å; P105-Y127 HydrophobicContact CG-CE1 4.13Å; P105-F147 HydrophobicContact CB-CE1 3.95Å; P105-F147 HydrophobicContact CB-CZ 4.04Å; P105-F147 HydrophobicContact CG-CE1 4.49Å |
| 106 | T | 71.2 | Confident | 72.3 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.7 | 171.8 | -60 | 0 | 0 | 0 | 0 | 108.1 | H102 Y104 N119 I121 | H102-T106 PolarHBondContact CD2-O 2.98Å; Y104-T106 PolarHBondContact O-N 3.45Å; T106-N119 HydrophobicContact CG2-CB 4.16Å; T106-I121 HydrophobicContact CG2-CD1 4.4Å; T106-I121 HydrophobicContact CG2-CG1 4.06Å |
| 107 | D | 76.2 | Confident | 72.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.7 | 176.4 | -63.6 | -46.1 | 0 | 0 | 0 | 110.5 | F101 H102 N119 I120 V143 R145 | F101-D107 VanDerWaalsContact CA-OD1 3.25Å; F101-D107 WeakPolarHBondContact CA-OD1 3.46Å; F101-D107 HydrophobicContact CD1-CB 4.33Å; H102-D107 PolarHBondContact N-OD1 3.4Å; D107-N119 CarbonylContact O-C 3.29Å; D107-N119 VanDerWaalsContact O-CA 3.28Å; D107-N119 WeakPolarHBondContact O-CA 3.39Å; D107-I120 HydrophobicContact CB-CB 4.33Å; D107-I120 WeakPolarHBondContact CB-O 3.47Å; D107-I120 PolarHBondContact N-O 2.92Å; D107-I120 PolarHBondContact O-N 3.42Å; D107-V143 WeakPolarHBondContact OD2-CG1 3.47Å; D107-R145 VanDerWaalsContact CG-NH2 3.27Å; D107-R145 IonicContact OD1-CZ 2.86Å; D107-R145 IonicContact OD1-NH1 2.84Å; D107-R145 IonicContact OD1-NH2 3.73Å; D107-R145 PolarHBondContact OD1-NH2 3.01Å; D107-R145 IonicContact OD2-CZ 3.74Å; D107-R145 IonicContact OD2-NH1 3.7Å; D107-R145 PolarHBondContact OD2-NH1 2.73Å; D107-R145 IonicContact OD2-NH2 3.08Å; D107-R145 PolarHBondContact OD2-NH2 3.17Å |
| 108 | H | 74.8 | Confident | 73.4 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.1 | -178.8 | -67.9 | 157.7 | 0 | 0 | 0 | 110.5 | R100 H102 Y110 Q116 N119 | R100-H108 PolarHBondContact N-O 3.19Å; R100-H108 PolarHBondContact O-N 2.97Å; R100-H108 VanDerWaalsContact O-N 3.08Å; H102-H108 AromaticContact CD2-CG 3.83Å; H102-H108 AromaticContact CD2-ND1 3.48Å; H102-H108 PolarHBondContact CD2-ND1 2.88Å; H102-H108 AromaticContact CE1-ND1 3.99Å; H102-H108 AromaticContact NE2-CE1 3.73Å; H102-H108 AromaticContact NE2-CG 3.7Å; H102-H108 AromaticContact NE2-ND1 2.98Å; H102-H108 PolarHBondContact NE2-ND1 3.14Å; H108-Y110 HydrophobicContact CB-CD2 4.39Å; H108-Y110 HydrophobicContact CB-CE2 3.46Å; H108-Y110 VanDerWaalsContact CB-CE2 3.46Å; H108-Y110 WeakPolarHBondContact CB-OH 3.45Å; H108-Y110 WeakPolarHBondContact O-CD2 3.33Å; H108-Y110 WeakPolarHBondContact O-CE2 3.32Å; H108-Q116 PolarHBondContact CD2-NE2 3.42Å; H108-Q116 VanDerWaalsContact CD2-NE2 3.29Å; H108-N119 PolarHBondContact CD2-OD1 2.91Å |
| 109 | V | 70.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.9 | -177.2 | -172.1 | 0 | 0 | 0 | 0 | 110 | F91 L96 Q116 V117 G118 I120 | F91-V109 HydrophobicContact CD1-CG1 4.28Å; F91-V109 HydrophobicContact CG-CG1 4.45Å; L96-V109 HydrophobicContact CD1-CG1 3.11Å; L96-V109 HydrophobicContact CD2-CG1 3.8Å; L96-V109 HydrophobicContact CG-CG1 4.06Å; V109-Q116 WeakPolarHBondContact O-CA 3.4Å; V109-V117 HydrophobicContact CG1-CG2 4.38Å; V109-V117 PolarHBondContact O-N 3.41Å; V109-G118 PolarHBondContact N-O 3.33Å; V109-I120 HydrophobicContact CG2-CB 4.5Å; V109-I120 HydrophobicContact CG2-CD1 3.68Å; V109-I120 HydrophobicContact CG2-CG1 3.73Å |
| 110 | Y | 63.3 | Low | 74.4 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.3 | -171.3 | -63.9 | -89.6 | 0 | 0 | 0 | 112.5 | L96 K98 R100 H108 Q116 | L96-Y110 VanDerWaalsContact CD2-O 3.26Å; L96-Y110 WeakPolarHBondContact CD2-O 3.21Å; K98-Y110 PolarHBondContact O-N 2.9Å; R100-Y110 HydrophobicContact CB-CD2 4.17Å; R100-Y110 HydrophobicContact CB-CE2 3.59Å; R100-Y110 PolarHBondContact NH1-OH 3.28Å; R100-Y110 VanDerWaalsContact NH1-OH 3.14Å; H108-Y110 HydrophobicContact CB-CD2 4.39Å; H108-Y110 HydrophobicContact CB-CE2 3.46Å; H108-Y110 VanDerWaalsContact CB-CE2 3.46Å; H108-Y110 WeakPolarHBondContact CB-OH 3.45Å; H108-Y110 WeakPolarHBondContact O-CD2 3.33Å; H108-Y110 WeakPolarHBondContact O-CE2 3.32Å; Y110-Q116 HydrophobicContact CD1-CB 4.11Å; Y110-Q116 HydrophobicContact CE1-CB 3.85Å |
| 111 | K | 65.2 | Low | 74.8 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 166.9 | 170.8 | 69.6 | 174.5 | -168.9 | -160.6 | 0 | 112.4 | Y94 L96 G113 R114 S115 V117 | Y94-K111 HydrophobicContact CD1-CD 4.04Å; Y94-K111 HydrophobicContact CE1-CD 4.42Å; L96-K111 HydrophobicContact CD2-CB 4.28Å; K111-G113 PolarHBondContact O-N 2.86Å; K111-R114 PolarHBondContact O-N 3.49Å; K111-R114 VanDerWaalsContact O-N 3.1Å; K111-S115 WeakPolarHBondContact CE-OG 3.03Å; K111-S115 WeakPolarHBondContact CG-O 3.39Å; K111-S115 PolarHBondContact N-O 3.31Å; K111-S115 VanDerWaalsContact N-O 3.08Å; K111-V117 HydrophobicContact CB-CG1 3.66Å; K111-V117 HydrophobicContact CD-CG1 3.63Å; K111-V117 HydrophobicContact CG-CG1 3.6Å |
| 112 | F | 51.1 | Low | 75.3 | Confident | 152 Ų | 152 | 50 Ų | 50 | 67% | 0.667 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130.5 | 166 | -172.3 | -110 | 0 | 0 | 0 | 111 | E97 | E97-F112 WeakPolarHBondContact OE1-CD2 3.25Å; E97-F112 WeakPolarHBondContact OE2-CD2 3.45Å |
| 113 | G | 57.4 | Low | 75.7 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 63% | 0.629 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 12.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K111 S115 | K111-G113 PolarHBondContact O-N 2.86Å; G113-S115 PolarHBondContact O-N 2.94Å |
| 114 | R | 61.3 | Low | 76.7 | Confident | 229 Ų | 229 | 45.8 Ų | 45.8 | 86% | 0.864 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 70.5 | 8.8 | 166.4 | -56.5 | -177.6 | 178.6 | 174.5 | 0.6 | 118.2 | K111 | K111-R114 PolarHBondContact O-N 3.49Å; K111-R114 VanDerWaalsContact O-N 3.1Å |
| 115 | S | 74.2 | Confident | 77.5 | Confident | 42 Ų | 42 | 42 Ų | 42 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | trans | -76 | 134.5 | 168.2 | -36.8 | 0 | 0 | 0 | 0 | 110.4 | K111 G113 | K111-S115 WeakPolarHBondContact CE-OG 3.03Å; K111-S115 WeakPolarHBondContact CG-O 3.39Å; K111-S115 PolarHBondContact N-O 3.31Å; K111-S115 VanDerWaalsContact N-O 3.08Å; G113-S115 PolarHBondContact O-N 2.94Å | ||
| 116 | Q | 78.2 | Confident | 78.6 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.5 | 164.4 | -177.7 | 174.7 | -10 | 0 | 0 | 108.4 | H108 V109 Y110 N119 | H108-Q116 PolarHBondContact CD2-NE2 3.42Å; H108-Q116 VanDerWaalsContact CD2-NE2 3.29Å; V109-Q116 WeakPolarHBondContact O-CA 3.4Å; Y110-Q116 HydrophobicContact CD1-CB 4.11Å; Y110-Q116 HydrophobicContact CE1-CB 3.85Å; Q116-N119 PolarHBondContact NE2-OD1 3.48Å |
| 117 | V | 83.4 | Confident | 79.6 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -1.3 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 113 | F91 Y94 L96 V109 K111 S193 | F91-V117 HydrophobicContact CD1-CG2 4.16Å; Y94-V117 HydrophobicContact CD1-CG1 4.13Å; Y94-V117 HydrophobicContact CD2-CB 3.66Å; Y94-V117 HydrophobicContact CD2-CG1 3.78Å; Y94-V117 HydrophobicContact CD2-CG2 4.18Å; Y94-V117 HydrophobicContact CE1-CG1 4.47Å; Y94-V117 HydrophobicContact CE2-CB 4.09Å; Y94-V117 HydrophobicContact CE2-CG1 4.14Å; Y94-V117 HydrophobicContact CG-CB 4.09Å; Y94-V117 HydrophobicContact CG-CG1 3.77Å; Y94-V117 HydrophobicContact CG-CG2 4.41Å; L96-V117 HydrophobicContact CD2-CG2 3.56Å; V109-V117 HydrophobicContact CG1-CG2 4.38Å; V109-V117 PolarHBondContact O-N 3.41Å; K111-V117 HydrophobicContact CB-CG1 3.66Å; K111-V117 HydrophobicContact CD-CG1 3.63Å; K111-V117 HydrophobicContact CG-CG1 3.6Å; V117-S193 PolarHBondContact O-N 3.33Å |
| 118 | G | 88.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -168.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V109 V191 | V109-G118 PolarHBondContact N-O 3.33Å; G118-V191 CarbonylContact C-O 3.51Å; G118-V191 WeakPolarHBondContact CA-O 3.32Å |
| 119 | N | 90.6 | Very high | 81.2 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.7 | -171.3 | -53.9 | -60.1 | 0 | 0 | 0 | 110.7 | T106 D107 H108 Q116 I121 V191 | T106-N119 HydrophobicContact CG2-CB 4.16Å; D107-N119 CarbonylContact O-C 3.29Å; D107-N119 VanDerWaalsContact O-CA 3.28Å; D107-N119 WeakPolarHBondContact O-CA 3.39Å; H108-N119 PolarHBondContact CD2-OD1 2.91Å; Q116-N119 PolarHBondContact NE2-OD1 3.48Å; N119-I121 HydrophobicContact CB-CD1 4.05Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; N119-V191 HydrophobicContact CB-CB 4.15Å; N119-V191 HydrophobicContact CB-CG2 4.46Å; N119-V191 PolarHBondContact N-O 3.32Å; N119-V191 PolarHBondContact O-N 3.09Å |
| 120 | I | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.1 | 166.1 | -63.9 | 169.1 | 0 | 0 | 0 | 106.3 | F91 D107 V109 T162 I164 I170 F172 I190 | F91-I120 HydrophobicContact CE2-CD1 4.46Å; F91-I120 HydrophobicContact CE2-CG1 4.17Å; F91-I120 HydrophobicContact CZ-CG1 4.42Å; D107-I120 HydrophobicContact CB-CB 4.33Å; D107-I120 WeakPolarHBondContact CB-O 3.47Å; D107-I120 PolarHBondContact N-O 2.92Å; D107-I120 PolarHBondContact O-N 3.42Å; V109-I120 HydrophobicContact CG2-CB 4.5Å; V109-I120 HydrophobicContact CG2-CD1 3.68Å; V109-I120 HydrophobicContact CG2-CG1 3.73Å; I120-T162 HydrophobicContact CG2-CG2 3.79Å; I120-I164 HydrophobicContact CD1-CD1 3.63Å; I120-I164 HydrophobicContact CD1-CG1 4.22Å; I120-I170 HydrophobicContact CD1-CD1 3.73Å; I120-I170 HydrophobicContact CD1-CG1 4.32Å; I120-I170 HydrophobicContact CD1-CG2 4.46Å; I120-I170 HydrophobicContact CG1-CD1 4.21Å; I120-I170 HydrophobicContact CG2-CG2 4.38Å; I120-F172 HydrophobicContact CG2-CE1 3.47Å; I120-F172 VanDerWaalsContact CG2-CE1 3.47Å; I120-F172 HydrophobicContact CG2-CZ 3.72Å; I120-I190 HydrophobicContact CG1-CG2 4.36Å |
| 121 | I | 93.5 | Very high | 83.6 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.2 | -171.3 | -63 | 166 | 0 | 0 | 0 | 107.3 | T106 N119 H123 S188 K189 V191 | T106-I121 HydrophobicContact CG2-CD1 4.4Å; T106-I121 HydrophobicContact CG2-CG1 4.06Å; N119-I121 HydrophobicContact CB-CD1 4.05Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; I121-H123 WeakPolarHBondContact CG2-ND1 3.47Å; I121-S188 CarbonylContact O-C 3.55Å; I121-S188 VanDerWaalsContact O-CA 3.29Å; I121-S188 WeakPolarHBondContact O-CA 3.41Å; I121-K189 HydrophobicContact CB-CG 3.91Å; I121-K189 HydrophobicContact CD1-CD 4.43Å; I121-K189 VanDerWaalsContact CD1-CE 3.47Å; I121-K189 HydrophobicContact CD1-CG 4.11Å; I121-K189 HydrophobicContact CG2-CG 4.35Å; I121-K189 PolarHBondContact N-O 3.37Å; I121-K189 PolarHBondContact O-N 3.1Å; I121-V191 HydrophobicContact CD1-CG2 4.06Å |
| 122 | N | 95.1 | Very high | 85 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 86.9 | 178.4 | -169 | 26.8 | 0 | 0 | 0 | 108.7 | M160 T161 T162 F172 Y174 S188 | N122-M160 WeakPolarHBondContact OD1-CE 3.1Å; N122-T161 PolarHBondContact ND2-O 2.88Å; N122-T162 VanDerWaalsContact CB-OG1 3.28Å; N122-T162 WeakPolarHBondContact CB-OG1 3.5Å; N122-T162 PolarHBondContact ND2-OG1 2.7Å; N122-F172 HydrophobicContact CB-CD1 4Å; N122-F172 HydrophobicContact CB-CD2 4.49Å; N122-F172 HydrophobicContact CB-CE1 3.98Å; N122-F172 HydrophobicContact CB-CE2 4.46Å; N122-F172 HydrophobicContact CB-CG 4.27Å; N122-F172 HydrophobicContact CB-CZ 4.21Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; N122-S188 PolarHBondContact OD1-OG 2.75Å |
| 123 | H | 91 | Very high | 87 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 171.7 | -167.1 | 84.2 | -76 | 0 | 0 | 0 | 115.1 | P105 I121 F147 Q187 | P105-H123 HydrophobicContact CB-CB 3.37Å; P105-H123 HydrophobicContact CG-CB 3.73Å; P105-H123 VanDerWaalsContact CG-CD2 3.44Å; P105-H123 WeakPolarHBondContact CG-CD2 3.49Å; I121-H123 WeakPolarHBondContact CG2-ND1 3.47Å; H123-F147 HydrophobicContact CB-CE1 4.3Å; H123-F147 HydrophobicContact CB-CE2 4.5Å; H123-F147 HydrophobicContact CB-CZ 3.75Å; H123-Q187 PolarHBondContact CE1-OE1 2.9Å; H123-Q187 PolarHBondContact N-O 3.34Å; H123-Q187 CarbonylContact O-C 3.45Å; H123-Q187 PolarHBondContact O-N 2.87Å |
| 124 | I | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136 | 174.8 | -59.9 | -177.5 | 0 | 0 | 0 | 108.5 | Y127 F147 I149 A158 M160 I177 I181 Q185 L186 | I124-Y127 WeakPolarHBondContact O-CD1 3.33Å; I124-F147 HydrophobicContact CB-CD2 4.37Å; I124-F147 HydrophobicContact CB-CG 4.32Å; I124-F147 HydrophobicContact CD1-CD2 4.32Å; I124-F147 HydrophobicContact CG1-CD2 4.26Å; I124-I149 HydrophobicContact CG2-CG2 3.89Å; I124-A158 HydrophobicContact CD1-CB 3.18Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-SD 3.65Å; I124-I177 HydrophobicContact CD1-CD1 4.42Å; I124-I181 HydrophobicContact CD1-CD1 3.88Å; I124-I181 HydrophobicContact CG1-CD1 4.45Å; I124-I181 HydrophobicContact CG2-CD1 3.7Å; I124-Q185 CarbonylContact C-O 3.54Å; I124-Q185 WeakPolarHBondContact CA-O 3.08Å; I124-Q185 HydrophobicContact CG2-CB 4.16Å; I124-L186 HydrophobicContact CD1-CD2 4.22Å; I124-L186 HydrophobicContact CG1-CD2 4.11Å |
| 125 | K | 91.7 | Very high | 90.4 | Very high | 85 Ų | 85 | 40.6 Ų | 40.6 | 37% | 0.37 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -82 | 163.4 | 172.3 | -67.4 | 176.9 | 161.3 | 179.2 | 0 | 111.1 | Y127 Q185 Q187 | K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.32Å; K125-Q185 HydrophobicContact CB-CB 4.45Å; K125-Q185 PolarHBondContact N-O 3.49Å; K125-Q187 HydrophobicContact CD-CG 4.43Å |
| 126 | N | 89 | Confident | 91.2 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 66% | 0.663 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 59.3 | 30.6 | 174.9 | -56 | -15.1 | 0 | 0 | 0 | 114.6 | ||
| 127 | Y | 91.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 41 Ų | 41 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 148.2 | 172 | 64.6 | -87 | 0 | 0 | 0 | 111.5 | P105 I124 K125 S130 F147 S148 | P105-Y127 HydrophobicContact CG-CE1 4.13Å; I124-Y127 WeakPolarHBondContact O-CD1 3.33Å; K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.32Å; Y127-S130 WeakPolarHBondContact CE2-OG 3.43Å; Y127-F147 AromaticContact CD1-CD1 3.95Å; Y127-F147 HydrophobicContact CD1-CD1 3.95Å; Y127-F147 HydrophobicContact CD1-CE1 4.34Å; Y127-F147 HydrophobicContact CD2-CD1 4.31Å; Y127-F147 HydrophobicContact CE1-CD1 4.39Å; Y127-F147 HydrophobicContact CE1-CE1 4.39Å; Y127-F147 AromaticContact CG-CD1 3.89Å; Y127-F147 HydrophobicContact CG-CD1 3.89Å; Y127-S148 CarbonylContact C-O 3.57Å; Y127-S148 WeakPolarHBondContact CA-O 3.46Å; Y127-S148 WeakPolarHBondContact CB-O 3.35Å |
| 128 | T | 92.3 | Very high | 92 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -38.5 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | S148 E155 | T128-S148 PolarHBondContact N-O 3.33Å; T128-S148 WeakPolarHBondContact OG1-CB 3.26Å; T128-S148 PolarHBondContact OG1-O 3.25Å; T128-S148 VanDerWaalsContact OG1-O 3.08Å; T128-E155 PolarHBondContact OG1-OE2 2.86Å; T128-E155 VanDerWaalsContact OG1-OE2 3.09Å |
| 129 | K | 92 | Very high | 91.9 | Very high | 142 Ų | 142 | 54.2 Ų | 54.2 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.3 | -179.5 | -177.7 | 179.1 | 177.1 | -175.8 | 0 | 109.7 | S148 | K129-S148 PolarHBondContact O-N 3.21Å |
| 130 | S | 92 | Very high | 91.9 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.7 | 169.1 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | Y127 N146 | Y127-S130 WeakPolarHBondContact CE2-OG 3.43Å; S130-N146 CarbonylContact C-O 3.43Å; S130-N146 WeakPolarHBondContact CA-O 3.49Å |
| 131 | E | 92.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 127.9 | 168.9 | -173.9 | -175.2 | -155.5 | 0 | 0 | 108.2 | M76 R133 R145 N146 | M76-E131 HydrophobicContact CE-CG 4.41Å; E131-R133 IonicContact OE1-CZ 3.8Å; E131-R133 IonicContact OE1-NH1 3.42Å; E131-R133 PolarHBondContact OE1-NH1 2.95Å; E131-R133 VanDerWaalsContact OE1-NH1 3.07Å; E131-R133 IonicContact OE1-NH2 2.76Å; E131-R133 PolarHBondContact OE1-NH2 3.31Å; E131-R133 IonicContact OE2-CZ 2.78Å; E131-R133 IonicContact OE2-NH1 3.62Å; E131-R133 PolarHBondContact OE2-NH1 2.96Å; E131-R133 IonicContact OE2-NH2 3.57Å; E131-R145 WeakPolarHBondContact O-CA 3.03Å; E131-N146 PolarHBondContact N-O 2.91Å; E131-N146 PolarHBondContact O-N 2.97Å |
| 132 | S | 93.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132 | -178.8 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | I77 K144 R145 | I77-S132 PolarHBondContact N-O 3.49Å; S132-K144 CarbonylContact C-O 3.56Å; S132-K144 WeakPolarHBondContact CA-O 3.23Å; S132-R145 WeakPolarHBondContact OG-CG 3.44Å |
| 133 | R | 95 | Very high | 91.8 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.5 | 174.3 | -66.8 | -169.6 | 173.7 | 77.4 | 5.3 | 110.9 | F73 N75 E131 V143 K144 | F73-R133 HydrophobicContact CB-CB 3.84Å; F73-R133 WeakPolarHBondContact O-CB 3.46Å; F73-R133 WeakPolarHBondContact O-CD 3.42Å; N75-R133 CarbonylContact O-C 3.42Å; N75-R133 VanDerWaalsContact O-CA 3.3Å; N75-R133 WeakPolarHBondContact O-CA 3.36Å; E131-R133 IonicContact OE1-CZ 3.8Å; E131-R133 IonicContact OE1-NH1 3.42Å; E131-R133 PolarHBondContact OE1-NH1 2.95Å; E131-R133 VanDerWaalsContact OE1-NH1 3.07Å; E131-R133 IonicContact OE1-NH2 2.76Å; E131-R133 PolarHBondContact OE1-NH2 3.31Å; E131-R133 IonicContact OE2-CZ 2.78Å; E131-R133 IonicContact OE2-NH1 3.62Å; E131-R133 PolarHBondContact OE2-NH1 2.96Å; E131-R133 IonicContact OE2-NH2 3.57Å; R133-V143 CarbonylContact O-C 3.6Å; R133-V143 WeakPolarHBondContact O-CA 3.45Å; R133-K144 PolarHBondContact N-O 3.31Å; R133-K144 PolarHBondContact O-N 3.09Å |
| 134 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.5 | -175.1 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | I74 N75 I77 Y81 F101 D136 G142 V143 | I74-V134 PolarHBondContact N-O 2.93Å; N75-V134 HydrophobicContact CB-CB 4.18Å; N75-V134 PolarHBondContact N-O 3.44Å; N75-V134 PolarHBondContact O-N 3.44Å; I77-V134 HydrophobicContact CD1-CG2 3.53Å; I77-V134 HydrophobicContact CG1-CG2 3.5Å; Y81-V134 HydrophobicContact CD1-CB 4.27Å; Y81-V134 HydrophobicContact CD1-CG1 3.83Å; Y81-V134 HydrophobicContact CD1-CG2 4.09Å; Y81-V134 HydrophobicContact CE1-CB 4.46Å; Y81-V134 HydrophobicContact CE1-CG1 3.8Å; Y81-V134 HydrophobicContact CG-CB 4.41Å; Y81-V134 HydrophobicContact CG-CG1 4.46Å; Y81-V134 HydrophobicContact CG-CG2 4.02Å; F101-V134 HydrophobicContact CB-CG2 4.18Å; F101-V134 HydrophobicContact CD2-CG1 3.93Å; F101-V134 HydrophobicContact CD2-CG2 3.86Å; F101-V134 HydrophobicContact CE2-CG1 3.92Å; F101-V134 HydrophobicContact CG-CG2 4.16Å; V134-D136 HydrophobicContact CG1-CB 4.08Å; V134-G142 CarbonylContact C-O 3.55Å; V134-G142 VanDerWaalsContact CA-O 3.29Å; V134-G142 WeakPolarHBondContact CA-O 3.01Å; V134-G142 WeakPolarHBondContact CG1-O 3.34Å; V134-V143 HydrophobicContact CG2-CG2 4.44Å |
| 135 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.6 | 160.8 | -177.3 | 161.8 | 0 | 0 | 0 | 107 | V68 R72 F73 E137 L140 F141 G142 | V68-L135 HydrophobicContact CG1-CD1 3.5Å; R72-L135 HydrophobicContact CB-CD1 3.75Å; R72-L135 HydrophobicContact CB-CG 4.45Å; F73-L135 HydrophobicContact CD1-CB 3.64Å; F73-L135 HydrophobicContact CE1-CB 3.73Å; F73-L135 HydrophobicContact CE2-CD1 4.36Å; F73-L135 HydrophobicContact CG-CB 4.16Å; F73-L135 HydrophobicContact CZ-CB 4.3Å; F73-L135 HydrophobicContact CZ-CD1 4.27Å; L135-E137 HydrophobicContact CD2-CB 3.97Å; L135-E137 HydrophobicContact CD2-CG 3.81Å; L135-E137 HydrophobicContact CG-CG 4.27Å; L135-L140 HydrophobicContact CD1-CD2 4.37Å; L135-L140 HydrophobicContact CD2-CB 4.06Å; L135-L140 HydrophobicContact CD2-CD2 4.28Å; L135-L140 HydrophobicContact CD2-CG 4.03Å; L135-L140 WeakPolarHBondContact CD2-O 3.32Å; L135-F141 CarbonylContact O-C 3.57Å; L135-F141 WeakPolarHBondContact O-CA 3.15Å; L135-G142 PolarHBondContact N-O 3.33Å; L135-G142 PolarHBondContact O-N 3.05Å |
| 136 | D | 91.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 79.6 | -176.7 | -170.1 | 8.9 | 0 | 0 | 0 | 109.7 | Y81 V134 F141 | Y81-D136 HydrophobicContact CE1-CB 4.14Å; Y81-D136 VanDerWaalsContact CE1-OD2 3.27Å; Y81-D136 WeakPolarHBondContact CE1-OD2 3.45Å; Y81-D136 PolarHBondContact OH-OD2 2.94Å; V134-D136 HydrophobicContact CG1-CB 4.08Å; D136-F141 WeakPolarHBondContact OD1-CD1 3Å; D136-F141 WeakPolarHBondContact OD1-CE1 3.44Å |
| 137 | E | 91.1 | Very high | 92.6 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 161.4 | -177.3 | -65.5 | -176.6 | -150.9 | 0 | 0 | 111.4 | R72 L135 E139 L140 F141 | R72-E137 IonicContact CZ-OE1 2.78Å; R72-E137 VanDerWaalsContact CZ-OE1 3.25Å; R72-E137 IonicContact CZ-OE2 2.89Å; R72-E137 IonicContact NE-OE1 2.67Å; R72-E137 PolarHBondContact NE-OE1 3.46Å; R72-E137 IonicContact NE-OE2 2.75Å; R72-E137 IonicContact NH2-OE1 2.99Å; R72-E137 PolarHBondContact NH2-OE1 3.46Å; R72-E137 IonicContact NH2-OE2 3.2Å; R72-E137 PolarHBondContact NH2-OE2 3.34Å; L135-E137 HydrophobicContact CD2-CB 3.97Å; L135-E137 HydrophobicContact CD2-CG 3.81Å; L135-E137 HydrophobicContact CG-CG 4.27Å; E137-E139 PolarHBondContact O-N 3.3Å; E137-E139 VanDerWaalsContact O-N 3.14Å; E137-L140 CarbonylContact C-O 3.59Å; E137-L140 PolarHBondContact N-O 3.49Å; E137-L140 PolarHBondContact O-N 3.07Å; E137-L140 VanDerWaalsContact O-O 3.06Å; E137-F141 VanDerWaalsContact O-CE1 3.23Å; E137-F141 WeakPolarHBondContact O-CE1 3.03Å |
| 138 | K | 85.9 | Confident | 92.8 | Very high | 142 Ų | 142 | 44.3 Ų | 44.3 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.1 | -174.8 | -175.6 | 177.8 | 179.9 | -170.5 | 0 | 113.4 | F87 | F87-K138 WeakPolarHBondContact CD1-O 3.25Å; F87-K138 WeakPolarHBondContact CE1-O 3.47Å |
| 139 | E | 87.1 | Confident | 92.8 | Very high | 141 Ų | 141 | 40.1 Ų | 40.1 | 66% | 0.659 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -3.6 | -172.8 | -62.2 | -173.7 | 169 | 0 | 0 | 114.1 | E137 T166 | E137-E139 PolarHBondContact O-N 3.3Å; E137-E139 VanDerWaalsContact O-N 3.14Å; E139-T166 VanDerWaalsContact CA-CG2 3.48Å; E139-T166 HydrophobicContact CB-CG2 4.08Å; E139-T166 HydrophobicContact CG-CG2 4.5Å; E139-T166 VanDerWaalsContact O-CG2 3.28Å; E139-T166 WeakPolarHBondContact O-CG2 3.37Å |
| 140 | L | 91.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 129.5 | -174.3 | -171.9 | 63.5 | 0 | 0 | 0 | 109.9 | V68 L135 E137 L163 | V68-L140 HydrophobicContact CG2-CD2 3.77Å; L135-L140 HydrophobicContact CD1-CD2 4.37Å; L135-L140 HydrophobicContact CD2-CB 4.06Å; L135-L140 HydrophobicContact CD2-CD2 4.28Å; L135-L140 HydrophobicContact CD2-CG 4.03Å; L135-L140 WeakPolarHBondContact CD2-O 3.32Å; E137-L140 CarbonylContact C-O 3.59Å; E137-L140 PolarHBondContact N-O 3.49Å; E137-L140 PolarHBondContact O-N 3.07Å; E137-L140 VanDerWaalsContact O-O 3.06Å; L140-L163 HydrophobicContact CD1-CB 4.27Å; L140-L163 HydrophobicContact CD2-CD2 4.36Å |
| 141 | F | 91 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 151.6 | 165.2 | -58.1 | -56.1 | 0 | 0 | 0 | 109.7 | A83 A85 F87 I99 F101 L135 D136 E137 L163 I164 | A83-F141 HydrophobicContact CB-CD1 4.05Å; A83-F141 HydrophobicContact CB-CE1 4.39Å; A83-F141 HydrophobicContact CB-CG 4.46Å; A85-F141 VanDerWaalsContact CA-CE2 3.5Å; A85-F141 HydrophobicContact CB-CD2 4.5Å; A85-F141 HydrophobicContact CB-CE2 3.51Å; A85-F141 HydrophobicContact CB-CZ 4.09Å; F87-F141 HydrophobicContact CD1-CE2 4.24Å; F87-F141 HydrophobicContact CE1-CD2 4.02Å; F87-F141 AromaticContact CE1-CE2 3.26Å; F87-F141 HydrophobicContact CE1-CE2 3.26Å; F87-F141 AromaticContact CE1-CZ 3.71Å; F87-F141 HydrophobicContact CE1-CZ 3.71Å; F87-F141 HydrophobicContact CE2-CD2 4.43Å; F87-F141 HydrophobicContact CE2-CE2 4.07Å; F87-F141 AromaticContact CZ-CD2 3.54Å; F87-F141 HydrophobicContact CZ-CD2 3.54Å; F87-F141 AromaticContact CZ-CE2 3.17Å; F87-F141 HydrophobicContact CZ-CE2 3.17Å; F87-F141 HydrophobicContact CZ-CZ 4.1Å; I99-F141 HydrophobicContact CD1-CB 4.39Å; I99-F141 HydrophobicContact CD1-CD2 3.92Å; I99-F141 HydrophobicContact CD1-CG 4.41Å; F101-F141 HydrophobicContact CZ-CB 4.21Å; L135-F141 CarbonylContact O-C 3.57Å; L135-F141 WeakPolarHBondContact O-CA 3.15Å; D136-F141 WeakPolarHBondContact OD1-CD1 3Å; D136-F141 WeakPolarHBondContact OD1-CE1 3.44Å; E137-F141 VanDerWaalsContact O-CE1 3.23Å; E137-F141 WeakPolarHBondContact O-CE1 3.03Å; F141-L163 CarbonylContact O-C 3.58Å; F141-L163 WeakPolarHBondContact O-CA 3.36Å; F141-I164 HydrophobicContact CB-CB 4.39Å; F141-I164 PolarHBondContact N-O 3.47Å; F141-I164 PolarHBondContact O-N 3.36Å |
| 142 | G | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 161 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V134 L135 T162 | V134-G142 CarbonylContact C-O 3.55Å; V134-G142 VanDerWaalsContact CA-O 3.29Å; V134-G142 WeakPolarHBondContact CA-O 3.01Å; V134-G142 WeakPolarHBondContact CG1-O 3.34Å; L135-G142 PolarHBondContact N-O 3.33Å; L135-G142 PolarHBondContact O-N 3.05Å; G142-T162 CarbonylContact C-O 3.57Å; G142-T162 WeakPolarHBondContact CA-O 3.17Å |
| 143 | V | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128 | 170.3 | 59 | 0 | 0 | 0 | 0 | 108.8 | I77 F101 D107 R133 V134 R145 T161 T162 | I77-V143 HydrophobicContact CD1-CG2 3.85Å; F101-V143 HydrophobicContact CD1-CB 3.76Å; F101-V143 HydrophobicContact CD1-CG1 3.61Å; F101-V143 HydrophobicContact CE1-CB 4.02Å; F101-V143 HydrophobicContact CE1-CG1 3.78Å; F101-V143 HydrophobicContact CG-CB 4.26Å; D107-V143 WeakPolarHBondContact OD2-CG1 3.47Å; R133-V143 CarbonylContact O-C 3.6Å; R133-V143 WeakPolarHBondContact O-CA 3.45Å; V134-V143 HydrophobicContact CG2-CG2 4.44Å; V143-R145 VanDerWaalsContact CG1-NH1 3.34Å; V143-R145 HydrophobicContact CG2-CG 4.06Å; V143-T161 WeakPolarHBondContact O-CA 3.43Å; V143-T162 PolarHBondContact N-O 3.29Å; V143-T162 PolarHBondContact O-N 3.27Å |
| 144 | K | 95.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.8 | 171.8 | -179.1 | 176.3 | -175.2 | -171.1 | 0 | 108.2 | S70 F73 S132 R133 T159 | S70-K144 PolarHBondContact OG-NZ 3.42Å; F73-K144 HydrophobicContact CB-CB 4.31Å; F73-K144 HydrophobicContact CD1-CB 3.59Å; F73-K144 HydrophobicContact CD2-CB 4.19Å; F73-K144 HydrophobicContact CD2-CD 4.3Å; F73-K144 HydrophobicContact CE1-CB 3.85Å; F73-K144 HydrophobicContact CE2-CB 4.42Å; F73-K144 HydrophobicContact CG-CB 3.77Å; F73-K144 HydrophobicContact CZ-CB 4.26Å; S132-K144 CarbonylContact C-O 3.56Å; S132-K144 WeakPolarHBondContact CA-O 3.23Å; R133-K144 PolarHBondContact N-O 3.31Å; R133-K144 PolarHBondContact O-N 3.09Å; K144-T159 HydrophobicContact CD-CG2 4.34Å; K144-T159 HydrophobicContact CG-CG2 4.09Å |
| 145 | R | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128 | -178.7 | -60.2 | -164.1 | 160.7 | 89.8 | 3.5 | 110.6 | H102 D107 E131 S132 V143 F147 T159 M160 | H102-R145 PolarHBondContact O-NH2 3.27Å; D107-R145 VanDerWaalsContact CG-NH2 3.27Å; D107-R145 IonicContact OD1-CZ 2.86Å; D107-R145 IonicContact OD1-NH1 2.84Å; D107-R145 IonicContact OD1-NH2 3.73Å; D107-R145 PolarHBondContact OD1-NH2 3.01Å; D107-R145 IonicContact OD2-CZ 3.74Å; D107-R145 IonicContact OD2-NH1 3.7Å; D107-R145 PolarHBondContact OD2-NH1 2.73Å; D107-R145 IonicContact OD2-NH2 3.08Å; D107-R145 PolarHBondContact OD2-NH2 3.17Å; E131-R145 WeakPolarHBondContact O-CA 3.03Å; S132-R145 WeakPolarHBondContact OG-CG 3.44Å; V143-R145 VanDerWaalsContact CG1-NH1 3.34Å; V143-R145 HydrophobicContact CG2-CG 4.06Å; R145-F147 HydrophobicContact CB-CD2 4.26Å; R145-F147 HydrophobicContact CB-CE2 3.51Å; R145-F147 HydrophobicContact CB-CZ 3.67Å; R145-F147 HydrophobicContact CG-CE2 4.49Å; R145-F147 HydrophobicContact CG-CZ 4.26Å; R145-T159 CarbonylContact O-C 3.51Å; R145-T159 VanDerWaalsContact O-CA 3.27Å; R145-T159 WeakPolarHBondContact O-CA 3.35Å; R145-M160 PolarHBondContact N-O 3.38Å; R145-M160 PolarHBondContact O-N 3.03Å |
| 146 | N | 95.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.4 | 167.7 | -61.7 | -39.7 | 0 | 0 | 0 | 108 | S130 E131 T157 A158 T159 | S130-N146 CarbonylContact C-O 3.43Å; S130-N146 WeakPolarHBondContact CA-O 3.49Å; E131-N146 PolarHBondContact N-O 2.91Å; E131-N146 PolarHBondContact O-N 2.97Å; N146-T157 HydrophobicContact CB-CG2 4.08Å; N146-A158 CarbonylContact C-O 3.52Å; N146-A158 WeakPolarHBondContact CA-O 3.4Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.44Å; N146-T159 PolarHBondContact OD1-OG1 3Å |
| 147 | F | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.7 | 176.2 | -58.3 | -83.3 | 0 | 0 | 0 | 108.7 | P105 H123 I124 Y127 R145 I149 T157 A158 M160 | P105-F147 HydrophobicContact CB-CE1 3.95Å; P105-F147 HydrophobicContact CB-CZ 4.04Å; P105-F147 HydrophobicContact CG-CE1 4.49Å; H123-F147 HydrophobicContact CB-CE1 4.3Å; H123-F147 HydrophobicContact CB-CE2 4.5Å; H123-F147 HydrophobicContact CB-CZ 3.75Å; I124-F147 HydrophobicContact CB-CD2 4.37Å; I124-F147 HydrophobicContact CB-CG 4.32Å; I124-F147 HydrophobicContact CD1-CD2 4.32Å; I124-F147 HydrophobicContact CG1-CD2 4.26Å; Y127-F147 AromaticContact CD1-CD1 3.95Å; Y127-F147 HydrophobicContact CD1-CD1 3.95Å; Y127-F147 HydrophobicContact CD1-CE1 4.34Å; Y127-F147 HydrophobicContact CD2-CD1 4.31Å; Y127-F147 HydrophobicContact CE1-CD1 4.39Å; Y127-F147 HydrophobicContact CE1-CE1 4.39Å; Y127-F147 AromaticContact CG-CD1 3.89Å; Y127-F147 HydrophobicContact CG-CD1 3.89Å; R145-F147 HydrophobicContact CB-CD2 4.26Å; R145-F147 HydrophobicContact CB-CE2 3.51Å; R145-F147 HydrophobicContact CB-CZ 3.67Å; R145-F147 HydrophobicContact CG-CE2 4.49Å; R145-F147 HydrophobicContact CG-CZ 4.26Å; F147-I149 HydrophobicContact CB-CG2 4.16Å; F147-T157 CarbonylContact O-C 3.55Å; F147-T157 WeakPolarHBondContact O-CA 3.48Å; F147-A158 PolarHBondContact N-O 3.45Å; F147-A158 PolarHBondContact O-N 3.15Å; F147-M160 HydrophobicContact CD2-SD 4.4Å; F147-M160 HydrophobicContact CE2-CB 4.41Å; F147-M160 HydrophobicContact CE2-CG 4.26Å; F147-M160 HydrophobicContact CE2-SD 3.93Å |
| 148 | S | 95.2 | Very high | 92.6 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123 | 163.3 | -65 | 0 | 0 | 0 | 0 | 108.2 | Y127 T128 K129 | Y127-S148 CarbonylContact C-O 3.57Å; Y127-S148 WeakPolarHBondContact CA-O 3.46Å; Y127-S148 WeakPolarHBondContact CB-O 3.35Å; T128-S148 PolarHBondContact N-O 3.33Å; T128-S148 WeakPolarHBondContact OG1-CB 3.26Å; T128-S148 PolarHBondContact OG1-O 3.25Å; T128-S148 VanDerWaalsContact OG1-O 3.08Å; K129-S148 PolarHBondContact O-N 3.21Å |
| 149 | I | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.4 | -179.9 | 63.9 | 173.2 | 0 | 0 | 0 | 109.6 | I124 F147 V151 E155 V156 A158 P178 I181 | I124-I149 HydrophobicContact CG2-CG2 3.89Å; F147-I149 HydrophobicContact CB-CG2 4.16Å; I149-V151 HydrophobicContact CD1-CG2 3.82Å; I149-V151 HydrophobicContact CG1-CG2 3.99Å; I149-E155 WeakPolarHBondContact O-CA 3.19Å; I149-V156 HydrophobicContact CD1-CG2 4.13Å; I149-V156 HydrophobicContact CG1-CG2 3.58Å; I149-V156 PolarHBondContact N-O 3.18Å; I149-V156 PolarHBondContact O-N 2.92Å; I149-A158 HydrophobicContact CD1-CB 4.39Å; I149-P178 HydrophobicContact CD1-CG 4.05Å; I149-I181 HydrophobicContact CD1-CB 4.48Å; I149-I181 HydrophobicContact CD1-CD1 3.38Å; I149-I181 HydrophobicContact CD1-CG1 3.84Å |
| 150 | N | 92 | Very high | 93.6 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.8 | 173.3 | -169.7 | -59.1 | 0 | 0 | 0 | 109.4 | G153 T154 | N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 2.89Å; N150-T154 WeakPolarHBondContact CA-O 3.25Å |
| 151 | V | 88.7 | Confident | 93.9 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.9 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | I149 G153 T154 V156 E180 | I149-V151 HydrophobicContact CD1-CG2 3.82Å; I149-V151 HydrophobicContact CG1-CG2 3.99Å; V151-G153 PolarHBondContact O-N 3.44Å; V151-G153 VanDerWaalsContact O-N 3.15Å; V151-T154 PolarHBondContact N-O 2.73Å; V151-T154 PolarHBondContact O-N 3.3Å; V151-V156 HydrophobicContact CB-CG2 4.02Å; V151-V156 HydrophobicContact CG2-CG2 3.59Å; V151-E180 HydrophobicContact CG1-CB 3.66Å |
| 152 | N | 88.7 | Confident | 94.1 | Very high | 145 Ų | 145 | 35.7 Ų | 35.7 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.4 | -179.9 | -60.4 | -30.1 | 0 | 0 | 0 | 113.9 | T154 | N152-T154 VanDerWaalsContact C-N 3.31Å; N152-T154 PolarHBondContact O-N 3Å |
| 153 | G | 89.2 | Confident | 94.2 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 64% | 0.639 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | N150 V151 | N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 2.89Å; V151-G153 PolarHBondContact O-N 3.44Å; V151-G153 VanDerWaalsContact O-N 3.15Å |
| 154 | T | 92.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.3 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | N150 V151 N152 V156 | N150-T154 WeakPolarHBondContact CA-O 3.25Å; V151-T154 PolarHBondContact N-O 2.73Å; V151-T154 PolarHBondContact O-N 3.3Å; N152-T154 VanDerWaalsContact C-N 3.31Å; N152-T154 PolarHBondContact O-N 3Å; T154-V156 HydrophobicContact CG2-CG1 4.25Å; T154-V156 PolarHBondContact O-N 3.06Å |
| 155 | E | 93.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 36.3 Ų | 36.3 | 58% | 0.579 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.7 | 171.2 | -171.7 | 174.1 | 74.6 | 0 | 0 | 109.7 | T128 I149 | T128-E155 PolarHBondContact OG1-OE2 2.86Å; T128-E155 VanDerWaalsContact OG1-OE2 3.09Å; I149-E155 WeakPolarHBondContact O-CA 3.19Å |
| 156 | V | 95.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.1 | 177 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | I149 V151 T154 P178 | I149-V156 HydrophobicContact CD1-CG2 4.13Å; I149-V156 HydrophobicContact CG1-CG2 3.58Å; I149-V156 PolarHBondContact N-O 3.18Å; I149-V156 PolarHBondContact O-N 2.92Å; V151-V156 HydrophobicContact CB-CG2 4.02Å; V151-V156 HydrophobicContact CG2-CG2 3.59Å; T154-V156 HydrophobicContact CG2-CG1 4.25Å; T154-V156 PolarHBondContact O-N 3.06Å; V156-P178 HydrophobicContact CB-CG 4.22Å; V156-P178 HydrophobicContact CG2-CB 3.99Å; V156-P178 HydrophobicContact CG2-CG 3.55Å |
| 157 | T | 95.9 | Very high | 93 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.2 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | N146 F147 N176 | N146-T157 HydrophobicContact CB-CG2 4.08Å; F147-T157 CarbonylContact O-C 3.55Å; F147-T157 WeakPolarHBondContact O-CA 3.48Å; T157-N176 PolarHBondContact O-ND2 2.83Å |
| 158 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I124 N146 F147 I149 N176 P178 | I124-A158 HydrophobicContact CD1-CB 3.18Å; N146-A158 CarbonylContact C-O 3.52Å; N146-A158 WeakPolarHBondContact CA-O 3.4Å; F147-A158 PolarHBondContact N-O 3.45Å; F147-A158 PolarHBondContact O-N 3.15Å; I149-A158 HydrophobicContact CD1-CB 4.39Å; A158-N176 CarbonylContact C-O 3.55Å; A158-N176 WeakPolarHBondContact CA-O 3.33Å; A158-P178 HydrophobicContact CB-CG 4.36Å |
| 159 | T | 96.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.6 | -175.9 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | K144 R145 N146 D175 N176 | K144-T159 HydrophobicContact CD-CG2 4.34Å; K144-T159 HydrophobicContact CG-CG2 4.09Å; R145-T159 CarbonylContact O-C 3.51Å; R145-T159 VanDerWaalsContact O-CA 3.27Å; R145-T159 WeakPolarHBondContact O-CA 3.35Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.44Å; N146-T159 PolarHBondContact OD1-OG1 3Å; T159-D175 HydrophobicContact CG2-CB 3.59Å; T159-D175 PolarHBondContact O-N 3.36Å; T159-N176 PolarHBondContact N-O 2.81Å; T159-N176 PolarHBondContact O-N 3.04Å; T159-N176 VanDerWaalsContact O-N 3.14Å |
| 160 | M | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.5 | -178.3 | -53.4 | 177 | 88.7 | 0 | 0 | 109.8 | N122 I124 R145 F147 Y174 I177 S188 I213 | N122-M160 WeakPolarHBondContact OD1-CE 3.1Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-SD 3.65Å; R145-M160 PolarHBondContact N-O 3.38Å; R145-M160 PolarHBondContact O-N 3.03Å; F147-M160 HydrophobicContact CD2-SD 4.4Å; F147-M160 HydrophobicContact CE2-CB 4.41Å; F147-M160 HydrophobicContact CE2-CG 4.26Å; F147-M160 HydrophobicContact CE2-SD 3.93Å; M160-Y174 HydrophobicContact CE-CD1 3.5Å; M160-Y174 VanDerWaalsContact CE-CD1 3.5Å; M160-Y174 HydrophobicContact CE-CE1 3.35Å; M160-Y174 HydrophobicContact CG-CD1 4.28Å; M160-I177 HydrophobicContact CE-CD1 4.38Å; M160-I177 HydrophobicContact CG-CD1 3.94Å; M160-I177 HydrophobicContact SD-CD1 4.43Å; M160-S188 WeakPolarHBondContact CE-OG 3.44Å; M160-I213 HydrophobicContact CE-CG2 4.15Å |
| 161 | T | 96.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.7 | -179 | -60 | 0 | 0 | 0 | 0 | 110.3 | F73 N122 V143 L163 F172 Y173 D175 | F73-T161 HydrophobicContact CE1-CG2 4Å; F73-T161 HydrophobicContact CE2-CG2 4.34Å; F73-T161 HydrophobicContact CZ-CG2 3.49Å; F73-T161 VanDerWaalsContact CZ-CG2 3.49Å; N122-T161 PolarHBondContact ND2-O 2.88Å; V143-T161 WeakPolarHBondContact O-CA 3.43Å; T161-L163 HydrophobicContact CG2-CD2 4.13Å; T161-L163 HydrophobicContact CG2-CG 4.18Å; T161-F172 CarbonylContact O-C 3.5Å; T161-F172 WeakPolarHBondContact O-CA 3.49Å; T161-Y173 PolarHBondContact N-O 2.89Å; T161-Y173 PolarHBondContact O-N 2.82Å; T161-D175 WeakPolarHBondContact CB-OD2 3.24Å; T161-D175 PolarHBondContact N-OD2 2.71Å; T161-D175 PolarHBondContact OG1-OD2 3.07Å |
| 162 | T | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.8 | 170.7 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | I120 N122 G142 V143 S171 F172 | I120-T162 HydrophobicContact CG2-CG2 3.79Å; N122-T162 VanDerWaalsContact CB-OG1 3.28Å; N122-T162 WeakPolarHBondContact CB-OG1 3.5Å; N122-T162 PolarHBondContact ND2-OG1 2.7Å; G142-T162 CarbonylContact C-O 3.57Å; G142-T162 WeakPolarHBondContact CA-O 3.17Å; V143-T162 PolarHBondContact N-O 3.29Å; V143-T162 PolarHBondContact O-N 3.27Å; T162-S171 CarbonylContact C-O 3.55Å; T162-S171 WeakPolarHBondContact CA-O 3.14Å; T162-F172 HydrophobicContact CG2-CD1 4Å; T162-F172 HydrophobicContact CG2-CE1 3.81Å |
| 163 | L | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.9 | 175.8 | -60.7 | 174.2 | 0 | 0 | 0 | 110.2 | P67 V68 F73 L140 F141 T161 I170 S171 | P67-L163 HydrophobicContact CB-CD1 4.05Å; P67-L163 HydrophobicContact CG-CD1 3.73Å; V68-L163 HydrophobicContact CG2-CD1 3.65Å; V68-L163 HydrophobicContact CG2-CD2 4.02Å; F73-L163 HydrophobicContact CE1-CD2 4.4Å; F73-L163 HydrophobicContact CZ-CD2 3.93Å; L140-L163 HydrophobicContact CD1-CB 4.27Å; L140-L163 HydrophobicContact CD2-CD2 4.36Å; F141-L163 CarbonylContact O-C 3.58Å; F141-L163 WeakPolarHBondContact O-CA 3.36Å; T161-L163 HydrophobicContact CG2-CD2 4.13Å; T161-L163 HydrophobicContact CG2-CG 4.18Å; L163-I170 CarbonylContact O-C 3.59Å; L163-I170 WeakPolarHBondContact O-CA 3.33Å; L163-S171 PolarHBondContact N-O 3.21Å; L163-S171 PolarHBondContact O-N 2.72Å |
| 164 | I | 92.5 | Very high | 94 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 114.6 | 177.8 | -57 | 168.3 | 0 | 0 | 0 | 107.6 | F89 I99 F101 I120 F141 I170 | F89-I164 HydrophobicContact CD2-CG2 4.2Å; F89-I164 HydrophobicContact CE1-CG2 4.3Å; F89-I164 HydrophobicContact CE2-CG2 3.71Å; F89-I164 HydrophobicContact CZ-CG2 3.79Å; I99-I164 HydrophobicContact CD1-CB 4.35Å; I99-I164 HydrophobicContact CD1-CD1 3.43Å; I99-I164 VanDerWaalsContact CD1-CD1 3.43Å; I99-I164 HydrophobicContact CD1-CG1 4.47Å; I99-I164 HydrophobicContact CD1-CG2 4.16Å; I99-I164 HydrophobicContact CG1-CD1 4.08Å; I99-I164 HydrophobicContact CG2-CD1 4.35Å; F101-I164 HydrophobicContact CE1-CD1 4.47Å; I120-I164 HydrophobicContact CD1-CD1 3.63Å; I120-I164 HydrophobicContact CD1-CG1 4.22Å; F141-I164 HydrophobicContact CB-CB 4.39Å; F141-I164 PolarHBondContact N-O 3.47Å; F141-I164 PolarHBondContact O-N 3.36Å; I164-I170 HydrophobicContact CG1-CG1 4.45Å |
| 165 | H | 91.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 156.7 | -174.9 | -61.5 | -100.5 | 0 | 0 | 0 | 111 | N167 G168 K169 S171 | H165-N167 VanDerWaalsContact CB-OD1 3.32Å; H165-N167 WeakPolarHBondContact CB-OD1 3.4Å; H165-N167 PolarHBondContact O-N 3.17Å; H165-N167 VanDerWaalsContact O-N 3.17Å; H165-G168 PolarHBondContact O-N 3.05Å; H165-K169 HydrophobicContact CB-CB 4.15Å; H165-K169 PolarHBondContact CD2-O 2.03Å; H165-K169 VanDerWaalsContact CD2-O 3.32Å; H165-K169 PolarHBondContact N-O 2.49Å; H165-S171 PolarHBondContact NE2-OG 2.82Å |
| 166 | T | 87 | Confident | 94.4 | Very high | 63 Ų | 63 | 24.3 Ų | 24.3 | 39% | 0.387 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.5 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | F87 E139 G168 | F87-T166 HydrophobicContact CD1-CG2 3.46Å; F87-T166 VanDerWaalsContact CD1-CG2 3.46Å; F87-T166 HydrophobicContact CD2-CG2 4.19Å; F87-T166 HydrophobicContact CE1-CG2 3.47Å; F87-T166 VanDerWaalsContact CE1-CG2 3.47Å; F87-T166 VanDerWaalsContact CE2-CA 3.44Å; F87-T166 HydrophobicContact CE2-CG2 4.24Å; F87-T166 HydrophobicContact CG-CG2 3.8Å; F87-T166 HydrophobicContact CZ-CG2 3.86Å; E139-T166 VanDerWaalsContact CA-CG2 3.48Å; E139-T166 HydrophobicContact CB-CG2 4.08Å; E139-T166 HydrophobicContact CG-CG2 4.5Å; E139-T166 VanDerWaalsContact O-CG2 3.28Å; E139-T166 WeakPolarHBondContact O-CG2 3.37Å; T166-G168 PolarHBondContact O-N 2.76Å |
| 167 | N | 84.1 | Confident | 94.5 | Very high | 99 Ų | 99 | 22.7 Ų | 22.7 | 53% | 0.529 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.6 | 178 | 66.7 | 2.6 | 0 | 0 | 0 | 113.8 | H165 K169 | H165-N167 VanDerWaalsContact CB-OD1 3.32Å; H165-N167 WeakPolarHBondContact CB-OD1 3.4Å; H165-N167 PolarHBondContact O-N 3.17Å; H165-N167 VanDerWaalsContact O-N 3.17Å; N167-K169 WeakPolarHBondContact OD1-CB 3.38Å; N167-K169 PolarHBondContact OD1-N 3.14Å |
| 168 | G | 86.6 | Confident | 94.4 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 84.3 | 3.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | H165 T166 | H165-G168 PolarHBondContact O-N 3.05Å; T166-G168 PolarHBondContact O-N 2.76Å |
| 169 | K | 91.7 | Very high | 94.3 | Very high | 43 Ų | 43 | 28.7 Ų | 28.7 | 19% | 0.187 | 15% | 0.15 | C | C | . | . | trans | -64 | 134.8 | 168.3 | -174.6 | 174.6 | 67.4 | 167 | 0 | 109.4 | H165 N167 E220 F221 | H165-K169 HydrophobicContact CB-CB 4.15Å; H165-K169 PolarHBondContact CD2-O 2.03Å; H165-K169 VanDerWaalsContact CD2-O 3.32Å; H165-K169 PolarHBondContact N-O 2.49Å; N167-K169 WeakPolarHBondContact OD1-CB 3.38Å; N167-K169 PolarHBondContact OD1-N 3.14Å; K169-E220 HydrophobicContact CD-CB 4.31Å; K169-E220 HydrophobicContact CD-CG 4.49Å; K169-E220 WeakPolarHBondContact CE-OE1 3.33Å; K169-E220 IonicContact NZ-OE1 3.74Å; K169-E220 PolarHBondContact NZ-OE1 3.31Å; K169-F221 WeakPolarHBondContact CA-O 3.45Å | ||
| 170 | I | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.4 | 173.7 | -61.2 | 166.1 | 0 | 0 | 0 | 107.3 | F91 I120 L163 I164 F172 I190 E220 F221 | F91-I170 HydrophobicContact CD2-CD1 3.69Å; F91-I170 HydrophobicContact CE2-CD1 3.61Å; I120-I170 HydrophobicContact CD1-CD1 3.73Å; I120-I170 HydrophobicContact CD1-CG1 4.32Å; I120-I170 HydrophobicContact CD1-CG2 4.46Å; I120-I170 HydrophobicContact CG1-CD1 4.21Å; I120-I170 HydrophobicContact CG2-CG2 4.38Å; L163-I170 CarbonylContact O-C 3.59Å; L163-I170 WeakPolarHBondContact O-CA 3.33Å; I164-I170 HydrophobicContact CG1-CG1 4.45Å; I170-F172 HydrophobicContact CG2-CD1 4.39Å; I170-F172 HydrophobicContact CG2-CE1 3.87Å; I170-F172 HydrophobicContact CG2-CZ 4.49Å; I170-I190 HydrophobicContact CD1-CG2 4.19Å; I170-I190 HydrophobicContact CG2-CG2 4.37Å; I170-E220 CarbonylContact O-C 3.42Å; I170-E220 WeakPolarHBondContact O-CA 3.34Å; I170-F221 HydrophobicContact CB-CB 4.35Å; I170-F221 HydrophobicContact CB-CD2 4.36Å; I170-F221 HydrophobicContact CG2-CD2 4.35Å; I170-F221 PolarHBondContact N-O 2.99Å; I170-F221 PolarHBondContact O-N 3.24Å |
| 171 | S | 97.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.5 | 177 | -52.5 | 0 | 0 | 0 | 0 | 111 | T162 L163 H165 V219 | T162-S171 CarbonylContact C-O 3.55Å; T162-S171 WeakPolarHBondContact CA-O 3.14Å; L163-S171 PolarHBondContact N-O 3.21Å; L163-S171 PolarHBondContact O-N 2.72Å; H165-S171 PolarHBondContact NE2-OG 2.82Å; S171-V219 CarbonylContact C-O 3.58Å; S171-V219 WeakPolarHBondContact CA-O 2.94Å |
| 172 | F | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.4 | 163.4 | -57.5 | -26.8 | 0 | 0 | 0 | 108.7 | I120 N122 T161 T162 I170 Y174 I190 V208 L218 V219 F221 | I120-F172 HydrophobicContact CG2-CE1 3.47Å; I120-F172 VanDerWaalsContact CG2-CE1 3.47Å; I120-F172 HydrophobicContact CG2-CZ 3.72Å; N122-F172 HydrophobicContact CB-CD1 4Å; N122-F172 HydrophobicContact CB-CD2 4.49Å; N122-F172 HydrophobicContact CB-CE1 3.98Å; N122-F172 HydrophobicContact CB-CE2 4.46Å; N122-F172 HydrophobicContact CB-CG 4.27Å; N122-F172 HydrophobicContact CB-CZ 4.21Å; T161-F172 CarbonylContact O-C 3.5Å; T161-F172 WeakPolarHBondContact O-CA 3.49Å; T162-F172 HydrophobicContact CG2-CD1 4Å; T162-F172 HydrophobicContact CG2-CE1 3.81Å; I170-F172 HydrophobicContact CG2-CD1 4.39Å; I170-F172 HydrophobicContact CG2-CE1 3.87Å; I170-F172 HydrophobicContact CG2-CZ 4.49Å; F172-Y174 HydrophobicContact CB-CE1 4.3Å; F172-I190 HydrophobicContact CZ-CG2 3.91Å; F172-V208 HydrophobicContact CD2-CG2 4.01Å; F172-V208 HydrophobicContact CE2-CG2 4.37Å; F172-L218 CarbonylContact O-C 3.58Å; F172-L218 WeakPolarHBondContact O-CA 3.27Å; F172-V219 HydrophobicContact CB-CB 4.19Å; F172-V219 PolarHBondContact N-O 2.75Å; F172-V219 PolarHBondContact O-N 3.32Å; F172-F221 AromaticContact CD2-CE2 3.65Å; F172-F221 HydrophobicContact CD2-CE2 3.65Å; F172-F221 HydrophobicContact CD2-CZ 4.29Å; F172-F221 AromaticContact CE2-CE2 3.51Å; F172-F221 HydrophobicContact CE2-CE2 3.51Å; F172-F221 HydrophobicContact CE2-CZ 4.03Å; F172-F221 HydrophobicContact CG-CE2 4.31Å; F172-F221 HydrophobicContact CZ-CE2 4.05Å |
| 173 | Y | 98.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.8 | 172.3 | -178.9 | -103.2 | 0 | 0 | 0 | 108.8 | Q64 P65 Q66 P67 T161 D175 L218 | Q64-Y173 HydrophobicContact CB-CE2 4.37Å; Q64-Y173 PolarHBondContact O-OH 3.32Å; P65-Y173 WeakPolarHBondContact O-CE2 3.49Å; Q66-Y173 HydrophobicContact CB-CE1 3.95Å; Q66-Y173 HydrophobicContact CG-CD1 4.29Å; Q66-Y173 HydrophobicContact CG-CE1 3.93Å; Q66-Y173 PolarHBondContact N-OH 2.93Å; P67-Y173 VanDerWaalsContact CD-CG 3.43Å; P67-Y173 HydrophobicContact CG-CD1 4.47Å; P67-Y173 HydrophobicContact CG-CD2 4.36Å; P67-Y173 HydrophobicContact CG-CG 4.02Å; T161-Y173 PolarHBondContact N-O 2.89Å; T161-Y173 PolarHBondContact O-N 2.82Å; Y173-D175 HydrophobicContact CD1-CB 4.31Å; Y173-D175 VanDerWaalsContact CD1-CG 3.48Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.46Å; Y173-D175 HydrophobicContact CE1-CB 4.06Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.44Å; Y173-L218 HydrophobicContact CD2-CB 4.18Å; Y173-L218 HydrophobicContact CD2-CD1 4.3Å |
| 174 | Y | 98.3 | Very high | 93.6 | 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 | -105.3 | 93.8 | -180 | -53.2 | -53.4 | 0 | 0 | 0 | 108.7 | N122 M160 F172 I177 S188 I213 K214 S215 G216 T217 V219 | N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; M160-Y174 HydrophobicContact CE-CD1 3.5Å; M160-Y174 VanDerWaalsContact CE-CD1 3.5Å; M160-Y174 HydrophobicContact CE-CE1 3.35Å; M160-Y174 HydrophobicContact CG-CD1 4.28Å; F172-Y174 HydrophobicContact CB-CE1 4.3Å; Y174-I177 HydrophobicContact CD1-CD1 4.42Å; Y174-I177 HydrophobicContact CG-CG1 4.35Å; Y174-S188 VanDerWaalsContact CE1-OG 3.32Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.23Å; Y174-S188 WeakPolarHBondContact OH-CB 3.19Å; Y174-S188 PolarHBondContact OH-OG 2.96Å; Y174-I213 HydrophobicContact CD1-CG2 4Å; Y174-I213 HydrophobicContact CD2-CB 4.5Å; Y174-I213 HydrophobicContact CD2-CG2 4.17Å; Y174-I213 HydrophobicContact CE1-CG2 3.77Å; Y174-I213 HydrophobicContact CE2-CB 4.1Å; Y174-I213 HydrophobicContact CE2-CG1 4.08Å; Y174-I213 HydrophobicContact CE2-CG2 4Å; Y174-I213 HydrophobicContact CG-CG2 4.19Å; Y174-K214 WeakPolarHBondContact CB-O 3.36Å; Y174-S215 CarbonylContact O-C 3.59Å; Y174-S215 WeakPolarHBondContact O-CA 3.2Å; Y174-G216 PolarHBondContact O-N 2.86Å; Y174-T217 HydrophobicContact CD2-CG2 4.27Å; Y174-T217 HydrophobicContact CE2-CG2 4.35Å; Y174-T217 PolarHBondContact N-O 2.83Å; Y174-T217 VanDerWaalsContact N-O 3.08Å; Y174-V219 HydrophobicContact CE2-CG2 3.89Å |
| 175 | D | 96.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 50 Ų | 50 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -43.7 | -176.3 | -55.1 | -105.2 | 0 | 0 | 0 | 111.9 | Q66 T159 T161 Y173 | Q66-D175 PolarHBondContact NE2-OD1 2.92Å; T159-D175 HydrophobicContact CG2-CB 3.59Å; T159-D175 PolarHBondContact O-N 3.36Å; T161-D175 WeakPolarHBondContact CB-OD2 3.24Å; T161-D175 PolarHBondContact N-OD2 2.71Å; T161-D175 PolarHBondContact OG1-OD2 3.07Å; Y173-D175 HydrophobicContact CD1-CB 4.31Å; Y173-D175 VanDerWaalsContact CD1-CG 3.48Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.46Å; Y173-D175 HydrophobicContact CE1-CB 4.06Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.44Å |
| 176 | N | 96.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 118.8 | 177.2 | -171.7 | 44.1 | 0 | 0 | 0 | 110.6 | T157 A158 T159 | T157-N176 PolarHBondContact O-ND2 2.83Å; A158-N176 CarbonylContact C-O 3.55Å; A158-N176 WeakPolarHBondContact CA-O 3.33Å; T159-N176 PolarHBondContact N-O 2.81Å; T159-N176 PolarHBondContact O-N 3.04Å; T159-N176 VanDerWaalsContact O-N 3.14Å |
| 177 | I | 96.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | trans | -124.8 | 115.7 | 174 | -55.1 | -64.7 | 0 | 0 | 0 | 107.3 | I124 M160 Y174 M179 I181 L186 I213 S215 | I124-I177 HydrophobicContact CD1-CD1 4.42Å; M160-I177 HydrophobicContact CE-CD1 4.38Å; M160-I177 HydrophobicContact CG-CD1 3.94Å; M160-I177 HydrophobicContact SD-CD1 4.43Å; Y174-I177 HydrophobicContact CD1-CD1 4.42Å; Y174-I177 HydrophobicContact CG-CG1 4.35Å; I177-M179 PolarHBondContact O-N 2.62Å; I177-I181 HydrophobicContact CG2-CG2 3.94Å; I177-L186 HydrophobicContact CG2-CD1 4.43Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I177-I213 HydrophobicContact CD1-CG2 4.43Å; I177-S215 PolarHBondContact N-OG 2.82Å; I177-S215 PolarHBondContact O-OG 3Å | ||
| 178 | P | 95.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.104 | 22% | 0.223 | C | C | . | . | trans | -55.6 | 137.5 | 175.8 | -27.9 | 37.7 | 0 | 0 | 0 | 111.4 | I149 V156 A158 E180 I181 | I149-P178 HydrophobicContact CD1-CG 4.05Å; V156-P178 HydrophobicContact CB-CG 4.22Å; V156-P178 HydrophobicContact CG2-CB 3.99Å; V156-P178 HydrophobicContact CG2-CG 3.55Å; A158-P178 HydrophobicContact CB-CG 4.36Å; P178-E180 VanDerWaalsContact C-N 3.32Å; P178-E180 PolarHBondContact O-N 2.86Å; P178-I181 WeakPolarHBondContact O-CG2 3.28Å; P178-I181 PolarHBondContact O-N 2.84Å | ||
| 179 | M | 93.4 | Very high | 95.2 | Very high | 173 Ų | 173 | 45.4 Ų | 45.4 | 85% | 0.852 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.7 | -173.8 | -76.9 | 179 | 41.2 | 0 | 0 | 113.1 | I177 I181 | I177-M179 PolarHBondContact O-N 2.62Å; M179-I181 VanDerWaalsContact C-N 3.31Å |
| 180 | E | 92 | Very high | 95.3 | Very high | 119 Ų | 119 | 43.3 Ų | 43.3 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 7.4 | -176 | -52.5 | 77.4 | -173.2 | 0 | 0 | 112.8 | V151 P178 | V151-E180 HydrophobicContact CG1-CB 3.66Å; P178-E180 VanDerWaalsContact C-N 3.32Å; P178-E180 PolarHBondContact O-N 2.86Å |
| 181 | I | 93.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -65.3 | 139.7 | 176.1 | -162.1 | 176.9 | 0 | 0 | 0 | 110.6 | I124 I149 I177 P178 M179 E183 Q185 L186 | I124-I181 HydrophobicContact CD1-CD1 3.88Å; I124-I181 HydrophobicContact CG1-CD1 4.45Å; I124-I181 HydrophobicContact CG2-CD1 3.7Å; I149-I181 HydrophobicContact CD1-CB 4.48Å; I149-I181 HydrophobicContact CD1-CD1 3.38Å; I149-I181 HydrophobicContact CD1-CG1 3.84Å; I177-I181 HydrophobicContact CG2-CG2 3.94Å; P178-I181 WeakPolarHBondContact O-CG2 3.28Å; P178-I181 PolarHBondContact O-N 2.84Å; M179-I181 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3Å; I181-Q185 HydrophobicContact CD1-CB 4.38Å; I181-Q185 HydrophobicContact CG1-CB 4.4Å; I181-L186 HydrophobicContact CD1-CD2 3.83Å; I181-L186 HydrophobicContact CD1-CG 4.39Å; I181-L186 HydrophobicContact CG2-CD1 3.93Å; I181-L186 HydrophobicContact CG2-CD2 4.13Å; I181-L186 HydrophobicContact CG2-CG 4.15Å |
| 182 | E | 93 | Very high | 94.7 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | trans | -67.3 | 128.1 | 174.1 | -66.1 | 176.6 | 176.6 | 0 | 0 | 110.9 | S184 Q185 | E182-S184 PolarHBondContact O-N 3.05Å; E182-Q185 HydrophobicContact CB-CG 4.08Å; E182-Q185 WeakPolarHBondContact O-CB 3.44Å; E182-Q185 PolarHBondContact O-N 3.36Å; E182-Q185 PolarHBondContact OE2-NE2 2.89Å | ||
| 183 | E | 93.7 | Very high | 94.1 | Very high | 117 Ų | 117 | 44.4 Ų | 44.4 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -52.5 | -33.9 | 177.4 | -73.7 | 179.3 | -162.7 | 0 | 0 | 113.1 | I181 Q185 L186 V210 | I181-E183 PolarHBondContact O-N 3Å; E183-Q185 PolarHBondContact O-N 2.89Å; E183-Q185 VanDerWaalsContact O-N 3.13Å; E183-L186 PolarHBondContact O-N 3.44Å; E183-L186 VanDerWaalsContact O-N 3.11Å; E183-V210 HydrophobicContact CB-CG1 4.27Å; E183-V210 HydrophobicContact CB-CG2 3.69Å; E183-V210 HydrophobicContact CG-CG1 4.26Å; E183-V210 HydrophobicContact CG-CG2 3.95Å; E183-V210 WeakPolarHBondContact O-CG2 3.37Å |
| 184 | S | 93.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 56% | 0.559 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -62.2 | -21 | 179.1 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | E182 | E182-S184 PolarHBondContact O-N 3.05Š|
| 185 | Q | 93.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -83.7 | -24.7 | 178.8 | -61.1 | -178.4 | -2.4 | 0 | 0 | 112.5 | I124 K125 I181 E182 E183 | I124-Q185 CarbonylContact C-O 3.54Å; I124-Q185 WeakPolarHBondContact CA-O 3.08Å; I124-Q185 HydrophobicContact CG2-CB 4.16Å; K125-Q185 HydrophobicContact CB-CB 4.45Å; K125-Q185 PolarHBondContact N-O 3.49Å; I181-Q185 HydrophobicContact CD1-CB 4.38Å; I181-Q185 HydrophobicContact CG1-CB 4.4Å; E182-Q185 HydrophobicContact CB-CG 4.08Å; E182-Q185 WeakPolarHBondContact O-CB 3.44Å; E182-Q185 PolarHBondContact O-N 3.36Å; E182-Q185 PolarHBondContact OE2-NE2 2.89Å; E183-Q185 PolarHBondContact O-N 2.89Å; E183-Q185 VanDerWaalsContact O-N 3.13Å |
| 186 | L | 95.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.8 | -176 | -64 | 173.4 | 0 | 0 | 0 | 110.9 | I124 I177 I181 E183 V210 I213 | I124-L186 HydrophobicContact CD1-CD2 4.22Å; I124-L186 HydrophobicContact CG1-CD2 4.11Å; I177-L186 HydrophobicContact CG2-CD1 4.43Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I181-L186 HydrophobicContact CD1-CD2 3.83Å; I181-L186 HydrophobicContact CD1-CG 4.39Å; I181-L186 HydrophobicContact CG2-CD1 3.93Å; I181-L186 HydrophobicContact CG2-CD2 4.13Å; I181-L186 HydrophobicContact CG2-CG 4.15Å; E183-L186 PolarHBondContact O-N 3.44Å; E183-L186 VanDerWaalsContact O-N 3.11Å; L186-V210 HydrophobicContact CB-CG2 3.96Å; L186-V210 HydrophobicContact CD1-CG2 4.05Å; L186-I213 HydrophobicContact CB-CD1 4.08Å; L186-I213 HydrophobicContact CB-CG2 4.26Å; L186-I213 HydrophobicContact CD1-CB 4.14Å; L186-I213 HydrophobicContact CD1-CG2 4.13Å; L186-I213 HydrophobicContact CD2-CG2 3.95Å; L186-I213 HydrophobicContact CG-CG2 4.35Å |
| 187 | Q | 94.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 106.2 | 177.8 | -65.2 | -151.3 | -17.1 | 0 | 0 | 113 | H123 K125 | H123-Q187 PolarHBondContact CE1-OE1 2.9Å; H123-Q187 PolarHBondContact N-O 3.34Å; H123-Q187 CarbonylContact O-C 3.45Å; H123-Q187 PolarHBondContact O-N 2.87Å; K125-Q187 HydrophobicContact CD-CG 4.43Å |
| 188 | S | 96.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120 | 169.8 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | I121 N122 M160 Y174 V208 | I121-S188 CarbonylContact O-C 3.55Å; I121-S188 VanDerWaalsContact O-CA 3.29Å; I121-S188 WeakPolarHBondContact O-CA 3.41Å; N122-S188 PolarHBondContact OD1-OG 2.75Å; M160-S188 WeakPolarHBondContact CE-OG 3.44Å; Y174-S188 VanDerWaalsContact CE1-OG 3.32Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.23Å; Y174-S188 WeakPolarHBondContact OH-CB 3.19Å; Y174-S188 PolarHBondContact OH-OG 2.96Å; S188-V208 PolarHBondContact O-N 3.11Å |
| 189 | K | 95.2 | Very high | 87.7 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 154.4 | 178.5 | 63.5 | -176.6 | -172.1 | 171.5 | 0 | 112.9 | I121 V191 E205 I206 R207 | I121-K189 HydrophobicContact CB-CG 3.91Å; I121-K189 HydrophobicContact CD1-CD 4.43Å; I121-K189 VanDerWaalsContact CD1-CE 3.47Å; I121-K189 HydrophobicContact CD1-CG 4.11Å; I121-K189 HydrophobicContact CG2-CG 4.35Å; I121-K189 PolarHBondContact N-O 3.37Å; I121-K189 PolarHBondContact O-N 3.1Å; K189-V191 HydrophobicContact CD-CG2 4.16Å; K189-V191 HydrophobicContact CG-CG2 4.18Å; K189-E205 WeakPolarHBondContact CD-OE2 3.45Å; K189-E205 IonicContact NZ-OE2 3.85Å; K189-E205 PolarHBondContact NZ-OE2 3.09Å; K189-I206 CarbonylContact C-O 3.58Å; K189-I206 WeakPolarHBondContact CA-O 3.16Å; K189-I206 WeakPolarHBondContact CB-O 3.01Å; K189-R207 HydrophobicContact CB-CB 4.42Å; K189-R207 HydrophobicContact CB-CG 3.97Å; K189-R207 HydrophobicContact CD-CG 4.16Å |
| 190 | I | 94 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.8 | 162.9 | 59.7 | 170.8 | 0 | 0 | 0 | 109.2 | Y56 F91 Y92 I120 I170 F172 E205 I206 F221 | Y56-I190 HydrophobicContact CD1-CD1 4.09Å; Y56-I190 HydrophobicContact CD2-CD1 4.22Å; Y56-I190 HydrophobicContact CE1-CD1 4.13Å; Y56-I190 HydrophobicContact CE2-CD1 4.28Å; Y56-I190 HydrophobicContact CG-CD1 4.16Å; F91-I190 HydrophobicContact CE2-CB 4.39Å; Y92-I190 HydrophobicContact CE2-CD1 4.26Å; Y92-I190 HydrophobicContact CE2-CG1 4.47Å; I120-I190 HydrophobicContact CG1-CG2 4.36Å; I170-I190 HydrophobicContact CD1-CG2 4.19Å; I170-I190 HydrophobicContact CG2-CG2 4.37Å; F172-I190 HydrophobicContact CZ-CG2 3.91Å; I190-E205 CarbonylContact O-C 3.52Å; I190-E205 WeakPolarHBondContact O-CA 3.34Å; I190-I206 HydrophobicContact CD1-CB 4.44Å; I190-I206 HydrophobicContact CD1-CD1 3.95Å; I190-I206 HydrophobicContact CG1-CB 3.88Å; I190-I206 HydrophobicContact CG1-CD1 4.24Å; I190-I206 HydrophobicContact CG1-CG1 4.44Å; I190-I206 PolarHBondContact N-O 3.38Å; I190-I206 PolarHBondContact O-N 2.88Å; I190-F221 HydrophobicContact CD1-CB 3.99Å; I190-F221 HydrophobicContact CD1-CD1 3.74Å; I190-F221 HydrophobicContact CD1-CE1 4.36Å; I190-F221 HydrophobicContact CD1-CG 3.84Å; I190-F221 HydrophobicContact CG1-CD1 4.13Å; I190-F221 HydrophobicContact CG1-CE1 4.25Å; I190-F221 HydrophobicContact CG1-CG 4.42Å; I190-F221 HydrophobicContact CG2-CD2 4.14Å; I190-F221 HydrophobicContact CG2-CE2 4.23Å; I190-F221 HydrophobicContact CG2-CG 4.46Å |
| 191 | V | 91.8 | Very high | 86.1 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.6 | -179.5 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | F91 G118 N119 I121 K189 E203 R204 E205 | F91-V191 WeakPolarHBondContact CE1-O 3.33Å; F91-V191 VanDerWaalsContact CZ-O 3.27Å; F91-V191 WeakPolarHBondContact CZ-O 3.22Å; G118-V191 CarbonylContact C-O 3.51Å; G118-V191 WeakPolarHBondContact CA-O 3.32Å; N119-V191 HydrophobicContact CB-CB 4.15Å; N119-V191 HydrophobicContact CB-CG2 4.46Å; N119-V191 PolarHBondContact N-O 3.32Å; N119-V191 PolarHBondContact O-N 3.09Å; I121-V191 HydrophobicContact CD1-CG2 4.06Å; K189-V191 HydrophobicContact CD-CG2 4.16Å; K189-V191 HydrophobicContact CG-CG2 4.18Å; V191-E203 HydrophobicContact CG1-CB 4.39Å; V191-R204 CarbonylContact C-O 3.56Å; V191-R204 WeakPolarHBondContact CA-O 3.3Å; V191-E205 HydrophobicContact CB-CB 4.47Å; V191-E205 HydrophobicContact CG1-CB 4.42Å; V191-E205 HydrophobicContact CG2-CB 3.9Å |
| 192 | G | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E203 R204 | G192-E203 WeakPolarHBondContact O-CA 3.39Å; G192-R204 PolarHBondContact N-O 2.88Å; G192-R204 PolarHBondContact O-N 2.91Å |
| 193 | S | 85 | Confident | 85.1 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.6 | 176.9 | -52.4 | 0 | 0 | 0 | 0 | 109.1 | Y94 V117 | Y94-S193 VanDerWaalsContact CE2-O 3.3Å; Y94-S193 WeakPolarHBondContact CE2-O 3.1Å; V117-S193 PolarHBondContact O-N 3.33Å |
| 194 | I | 81.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.3 | -177.6 | -56.7 | 178.6 | 0 | 0 | 0 | 108.3 | C26 I29 Y92 T201 E202 R204 | C26-I194 HydrophobicContact CB-CG2 4.23Å; I29-I194 HydrophobicContact CD1-CD1 3.43Å; I29-I194 VanDerWaalsContact CD1-CD1 3.43Å; I29-I194 HydrophobicContact CG2-CD1 4.18Å; Y92-I194 HydrophobicContact CD1-CD1 4.4Å; I194-T201 CarbonylContact O-C 3.56Å; I194-T201 WeakPolarHBondContact O-CA 3.31Å; I194-E202 PolarHBondContact N-O 3.34Å; I194-E202 PolarHBondContact O-N 3.14Å; I194-R204 HydrophobicContact CD1-CG 3.95Å |
| 195 | R | 77.6 | Confident | 84.6 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 57% | 0.566 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.4 | 172.9 | -69 | -175 | 179 | -179.2 | -5.3 | 110.4 | ||
| 196 | C | 77.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 164.6 | 173.1 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | C30 D200 | C30-C196 HydrophobicContact CB-CB 3.7Å; C30-C196 WeakPolarHBondContact CB-SG 3.45Å; C30-C196 WeakPolarHBondContact SG-CA 3.36Å; C30-C196 WeakPolarHBondContact SG-CB 3.36Å; C30-C196 CovalentContact SG-SG 2.02Å; C30-C196 PolarHBondContact SG-SG 3.37Å; C196-D200 WeakPolarHBondContact CA-O 3.13Å; C196-D200 HydrophobicContact CB-CB 4.17Å; C196-D200 WeakPolarHBondContact CB-O 3.42Å; C196-D200 PolarHBondContact N-O 2.9Å |
| 197 | E | 75.6 | Confident | 84.6 | Confident | 170 Ų | 170 | 59.9 Ų | 59.9 | 79% | 0.794 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 133.5 | 170.4 | -69.2 | 174.6 | -173.5 | 0 | 0 | 109 | ||
| 198 | G | 70.1 | Confident | 84.8 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 20.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | D200 | G198-D200 PolarHBondContact O-N 2.96Š|
| 199 | E | 64.8 | Low | 84.8 | Confident | 190 Ų | 190 | 58.9 Ų | 58.9 | 89% | 0.888 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 72.7 | -8.2 | -178.8 | -57.5 | -170 | 156 | 0 | 0 | 116.4 | T201 | E199-T201 PolarHBondContact O-N 2.91Š|
| 200 | D | 74.5 | Confident | 84.9 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | trans | -62.6 | 135.2 | 174.9 | -70 | -33.9 | 0 | 0 | 0 | 111.6 | C196 G198 | C196-D200 WeakPolarHBondContact CA-O 3.13Å; C196-D200 HydrophobicContact CB-CB 4.17Å; C196-D200 WeakPolarHBondContact CB-O 3.42Å; C196-D200 PolarHBondContact N-O 2.9Å; G198-D200 PolarHBondContact O-N 2.96Å | ||
| 201 | T | 78.2 | Confident | 84.9 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.7 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 109 | I194 E199 | I194-T201 CarbonylContact O-C 3.56Å; I194-T201 WeakPolarHBondContact O-CA 3.31Å; E199-T201 PolarHBondContact O-N 2.91Å |
| 202 | E | 81.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.4 | 177.8 | -82.1 | -66.9 | 144.9 | 0 | 0 | 110.7 | I194 R204 | I194-E202 PolarHBondContact N-O 3.34Å; I194-E202 PolarHBondContact O-N 3.14Å; E202-R204 IonicContact OE2-CZ 2.7Å; E202-R204 IonicContact OE2-NH1 3.21Å; E202-R204 PolarHBondContact OE2-NH1 3.27Å; E202-R204 IonicContact OE2-NH2 3.05Å |
| 203 | E | 84.3 | Confident | 85.6 | Confident | 102 Ų | 102 | 64 Ų | 64 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137 | 169.4 | -65.7 | -166.9 | 153 | 0 | 0 | 111.1 | K36 V191 G192 | K36-E203 VanDerWaalsContact CE-O 3.3Å; K36-E203 WeakPolarHBondContact CE-O 3.48Å; V191-E203 HydrophobicContact CG1-CB 4.39Å; G192-E203 WeakPolarHBondContact O-CA 3.39Å |
| 204 | R | 85.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.4 | 176.9 | -65.9 | -65.9 | -180 | -107.1 | 6.3 | 108.5 | I29 K36 Y92 V191 G192 I194 E202 | I29-R204 HydrophobicContact CG2-CG 4.27Å; I29-R204 VanDerWaalsContact CG2-NH2 3.34Å; I29-R204 PolarHBondContact O-NH2 3.45Å; K36-R204 VanDerWaalsContact CG-NH1 3.31Å; Y92-R204 HydrophobicContact CD1-CB 4.47Å; Y92-R204 HydrophobicContact CE1-CB 3.75Å; Y92-R204 PolarHBondContact OH-O 3.48Å; V191-R204 CarbonylContact C-O 3.56Å; V191-R204 WeakPolarHBondContact CA-O 3.3Å; G192-R204 PolarHBondContact N-O 2.88Å; G192-R204 PolarHBondContact O-N 2.91Å; I194-R204 HydrophobicContact CD1-CG 3.95Å; E202-R204 IonicContact OE2-CZ 2.7Å; E202-R204 IonicContact OE2-NH1 3.21Å; E202-R204 PolarHBondContact OE2-NH1 3.27Å; E202-R204 IonicContact OE2-NH2 3.05Å |
| 205 | E | 91 | Very high | 87 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 18% | 0.178 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.2 | -178 | 68.5 | -167.5 | 159.5 | 0 | 0 | 111.1 | K189 I190 V191 R207 | K189-E205 WeakPolarHBondContact CD-OE2 3.45Å; K189-E205 IonicContact NZ-OE2 3.85Å; K189-E205 PolarHBondContact NZ-OE2 3.09Å; I190-E205 CarbonylContact O-C 3.52Å; I190-E205 WeakPolarHBondContact O-CA 3.34Å; V191-E205 HydrophobicContact CB-CB 4.47Å; V191-E205 HydrophobicContact CG1-CB 4.42Å; V191-E205 HydrophobicContact CG2-CB 3.9Å; E205-R207 IonicContact OE1-CZ 3.59Å; E205-R207 IonicContact OE1-NH1 2.64Å; E205-R207 PolarHBondContact OE1-NH1 3.17Å; E205-R207 IonicContact OE1-NH2 2.66Å; E205-R207 PolarHBondContact OE1-NH2 3.18Å; E205-R207 IonicContact OE2-CZ 2.88Å; E205-R207 IonicContact OE2-NE 2.75Å; E205-R207 IonicContact OE2-NH1 3.22Å; E205-R207 IonicContact OE2-NH2 3.07Å; E205-R207 PolarHBondContact OE2-NH2 2.98Å |
| 206 | I | 94.3 | Very high | 88 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.6 | 172 | -59.5 | 163.3 | 0 | 0 | 0 | 106.2 | H53 Y56 M58 K189 I190 F221 | H53-I206 HydrophobicContact CB-CD1 3.83Å; H53-I206 HydrophobicContact CB-CG1 4.14Å; H53-I206 WeakPolarHBondContact NE2-CG2 3.3Å; Y56-I206 HydrophobicContact CD2-CD1 3.68Å; Y56-I206 HydrophobicContact CG-CD1 3.85Å; M58-I206 HydrophobicContact SD-CG2 4.4Å; K189-I206 CarbonylContact C-O 3.58Å; K189-I206 WeakPolarHBondContact CA-O 3.16Å; K189-I206 WeakPolarHBondContact CB-O 3.01Å; I190-I206 HydrophobicContact CD1-CB 4.44Å; I190-I206 HydrophobicContact CD1-CD1 3.95Å; I190-I206 HydrophobicContact CG1-CB 3.88Å; I190-I206 HydrophobicContact CG1-CD1 4.24Å; I190-I206 HydrophobicContact CG1-CG1 4.44Å; I190-I206 PolarHBondContact N-O 3.38Å; I190-I206 PolarHBondContact O-N 2.88Å; I206-F221 HydrophobicContact CB-CE1 4.24Å; I206-F221 HydrophobicContact CG2-CD1 4.19Å; I206-F221 HydrophobicContact CG2-CE1 3.66Å |
| 207 | R | 95.4 | Very high | 89 | Confident | 119 Ų | 119 | 63 Ų | 63 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.2 | 179 | -65.4 | -172.7 | 173.7 | 84.3 | 2 | 109.9 | K189 E205 | K189-R207 HydrophobicContact CB-CB 4.42Å; K189-R207 HydrophobicContact CB-CG 3.97Å; K189-R207 HydrophobicContact CD-CG 4.16Å; E205-R207 IonicContact OE1-CZ 3.59Å; E205-R207 IonicContact OE1-NH1 2.64Å; E205-R207 PolarHBondContact OE1-NH1 3.17Å; E205-R207 IonicContact OE1-NH2 2.66Å; E205-R207 PolarHBondContact OE1-NH2 3.18Å; E205-R207 IonicContact OE2-CZ 2.88Å; E205-R207 IonicContact OE2-NE 2.75Å; E205-R207 IonicContact OE2-NH1 3.22Å; E205-R207 IonicContact OE2-NH2 3.07Å; E205-R207 PolarHBondContact OE2-NH2 2.98Å |
| 208 | V | 97.6 | Very high | 90 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.5 | 162.6 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | M58 I60 F172 S188 V210 W212 I213 V219 F221 | M58-V208 HydrophobicContact SD-CG2 4.45Å; I60-V208 HydrophobicContact CD1-CG1 4.15Å; F172-V208 HydrophobicContact CD2-CG2 4.01Å; F172-V208 HydrophobicContact CE2-CG2 4.37Å; S188-V208 PolarHBondContact O-N 3.11Å; V208-V210 PolarHBondContact O-N 2.71Å; V208-W212 HydrophobicContact CG1-CB 4.31Å; V208-I213 HydrophobicContact CB-CD1 4.35Å; V208-I213 HydrophobicContact CB-CG1 4.29Å; V208-I213 HydrophobicContact CG1-CD1 4.49Å; V208-I213 HydrophobicContact CG1-CG1 3.9Å; V208-V219 HydrophobicContact CG1-CG2 3.77Å; V208-V219 HydrophobicContact CG2-CB 4.44Å; V208-V219 HydrophobicContact CG2-CG1 3.88Å; V208-V219 HydrophobicContact CG2-CG2 4.08Å; V208-F221 HydrophobicContact CG2-CE2 4.42Å; V208-F221 HydrophobicContact CG2-CZ 3.77Å |
| 209 | P | 96.8 | Very high | 91.4 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.5 | 174.7 | -10 | 20.9 | 0 | 0 | 0 | 109.7 | R49 D211 W212 | R49-P209 VanDerWaalsContact CZ-CG 3.42Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.81Å; P209-W212 WeakPolarHBondContact O-CB 3.35Å; P209-W212 PolarHBondContact O-N 3.42Å |
| 210 | V | 96.5 | Very high | 93 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -61.3 | -35.3 | -168.3 | 69.3 | 0 | 0 | 0 | 0 | 113 | E183 L186 V208 W212 I213 | E183-V210 HydrophobicContact CB-CG1 4.27Å; E183-V210 HydrophobicContact CB-CG2 3.69Å; E183-V210 HydrophobicContact CG-CG1 4.26Å; E183-V210 HydrophobicContact CG-CG2 3.95Å; E183-V210 WeakPolarHBondContact O-CG2 3.37Å; L186-V210 HydrophobicContact CB-CG2 3.96Å; L186-V210 HydrophobicContact CD1-CG2 4.05Å; V208-V210 PolarHBondContact O-N 2.71Å; V210-W212 PolarHBondContact O-N 2.73Å; V210-I213 WeakPolarHBondContact O-CB 3.4Å; V210-I213 PolarHBondContact O-N 3.29Å |
| 211 | D | 95.5 | Very high | 94 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -59.8 | -20.3 | 176.8 | -64.2 | -39.3 | 0 | 0 | 0 | 114.4 | R62 P209 K214 | R62-D211 PolarHBondContact NH2-O 3.24Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.81Å; D211-K214 VanDerWaalsContact O-CE 3.23Å; D211-K214 WeakPolarHBondContact O-CE 3.1Å |
| 212 | W | 97.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 4% | 0.038 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -91.2 | -14.4 | 178.5 | -72.8 | 86.7 | 0 | 0 | 0 | 113 | E44 N45 R49 I60 R62 V208 P209 V210 K214 T217 | E44-W212 HydrophobicContact CG-CZ2 4.01Å; E44-W212 PolarHBondContact OE1-NE1 2.77Å; E44-W212 VanDerWaalsContact OE1-NE1 3.11Å; N45-W212 WeakPolarHBondContact O-CH2 3.49Å; N45-W212 WeakPolarHBondContact O-CZ2 3.33Å; R49-W212 HydrophobicContact CB-CH2 3.83Å; R49-W212 HydrophobicContact CB-CZ2 3.63Å; R49-W212 HydrophobicContact CB-CZ3 4.38Å; R49-W212 HydrophobicContact CG-CZ2 4.41Å; I60-W212 HydrophobicContact CB-CD2 4.37Å; I60-W212 HydrophobicContact CB-CE3 3.94Å; I60-W212 HydrophobicContact CB-CZ3 4.28Å; I60-W212 HydrophobicContact CD1-CB 4.01Å; I60-W212 HydrophobicContact CD1-CD2 4.22Å; I60-W212 HydrophobicContact CD1-CG 3.94Å; I60-W212 HydrophobicContact CG2-CB 4.15Å; I60-W212 HydrophobicContact CG2-CD2 3.91Å; I60-W212 HydrophobicContact CG2-CE3 3.29Å; I60-W212 HydrophobicContact CG2-CG 4.29Å; I60-W212 HydrophobicContact CG2-CZ3 3.93Å; R62-W212 HydrophobicContact CG-CE3 4.02Å; R62-W212 HydrophobicContact CG-CZ3 3.71Å; V208-W212 HydrophobicContact CG1-CB 4.31Å; P209-W212 WeakPolarHBondContact O-CB 3.35Å; P209-W212 PolarHBondContact O-N 3.42Å; V210-W212 PolarHBondContact O-N 2.73Å; W212-K214 VanDerWaalsContact C-N 3.28Å; W212-K214 PolarHBondContact O-N 2.69Å; W212-T217 WeakPolarHBondContact O-CB 3Å; W212-T217 VanDerWaalsContact O-CG2 3.27Å; W212-T217 WeakPolarHBondContact O-CG2 3.37Å; W212-T217 PolarHBondContact O-OG1 2.76Å |
| 213 | I | 97.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | trans | -79.3 | 76.4 | 178.1 | -51.3 | 180 | 0 | 0 | 0 | 109.4 | M160 Y174 I177 L186 V208 V210 | M160-I213 HydrophobicContact CE-CG2 4.15Å; Y174-I213 HydrophobicContact CD1-CG2 4Å; Y174-I213 HydrophobicContact CD2-CB 4.5Å; Y174-I213 HydrophobicContact CD2-CG2 4.17Å; Y174-I213 HydrophobicContact CE1-CG2 3.77Å; Y174-I213 HydrophobicContact CE2-CB 4.1Å; Y174-I213 HydrophobicContact CE2-CG1 4.08Å; Y174-I213 HydrophobicContact CE2-CG2 4Å; Y174-I213 HydrophobicContact CG-CG2 4.19Å; I177-I213 HydrophobicContact CD1-CG2 4.43Å; L186-I213 HydrophobicContact CB-CD1 4.08Å; L186-I213 HydrophobicContact CB-CG2 4.26Å; L186-I213 HydrophobicContact CD1-CB 4.14Å; L186-I213 HydrophobicContact CD1-CG2 4.13Å; L186-I213 HydrophobicContact CD2-CG2 3.95Å; L186-I213 HydrophobicContact CG-CG2 4.35Å; V208-I213 HydrophobicContact CB-CD1 4.35Å; V208-I213 HydrophobicContact CB-CG1 4.29Å; V208-I213 HydrophobicContact CG1-CD1 4.49Å; V208-I213 HydrophobicContact CG1-CG1 3.9Å; V210-I213 WeakPolarHBondContact O-CB 3.4Å; V210-I213 PolarHBondContact O-N 3.29Å | ||
| 214 | K | 97.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 32.5 Ų | 32.5 | 47% | 0.47 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -133.8 | 158 | 178.5 | -56.8 | -163.5 | -173.6 | 170.5 | 0 | 110.7 | Y174 D211 W212 G216 T217 | Y174-K214 WeakPolarHBondContact CB-O 3.36Å; D211-K214 VanDerWaalsContact O-CE 3.23Å; D211-K214 WeakPolarHBondContact O-CE 3.1Å; W212-K214 VanDerWaalsContact C-N 3.28Å; W212-K214 PolarHBondContact O-N 2.69Å; K214-G216 PolarHBondContact O-N 3Å; K214-T217 WeakPolarHBondContact O-CB 3.32Å; K214-T217 PolarHBondContact O-N 2.88Å; K214-T217 VanDerWaalsContact O-N 3.15Å; K214-T217 PolarHBondContact O-OG1 3.14Å |
| 215 | S | 97.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 36% | 0.357 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 136 | 177 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | Y174 I177 T217 | Y174-S215 CarbonylContact O-C 3.59Å; Y174-S215 WeakPolarHBondContact O-CA 3.2Å; I177-S215 PolarHBondContact N-OG 2.82Å; I177-S215 PolarHBondContact O-OG 3Å; S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact O-N 3.21Å |
| 216 | G | 97.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 9.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R62 N63 Q64 Y174 K214 | R62-G216 CarbonylContact C-O 3.48Å; N63-G216 PolarHBondContact N-O 3.48Å; Q64-G216 PolarHBondContact N-O 2.92Å; Y174-G216 PolarHBondContact O-N 2.86Å; K214-G216 PolarHBondContact O-N 3Å |
| 217 | T | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -92.3 | 132 | 173.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | I60 L61 Y174 W212 K214 S215 V219 | I60-T217 HydrophobicContact CG2-CG2 3.31Å; L61-T217 CarbonylContact O-C 3.51Å; L61-T217 WeakPolarHBondContact O-CA 3.35Å; Y174-T217 HydrophobicContact CD2-CG2 4.27Å; Y174-T217 HydrophobicContact CE2-CG2 4.35Å; Y174-T217 PolarHBondContact N-O 2.83Å; Y174-T217 VanDerWaalsContact N-O 3.08Å; W212-T217 WeakPolarHBondContact O-CB 3Å; W212-T217 VanDerWaalsContact O-CG2 3.27Å; W212-T217 WeakPolarHBondContact O-CG2 3.37Å; W212-T217 PolarHBondContact O-OG1 2.76Å; K214-T217 WeakPolarHBondContact O-CB 3.32Å; K214-T217 PolarHBondContact O-N 2.88Å; K214-T217 VanDerWaalsContact O-N 3.15Å; K214-T217 PolarHBondContact O-OG1 3.14Å; S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact O-N 3.21Å; T217-V219 HydrophobicContact CG2-CG2 4.42Å | ||
| 218 | L | 98.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.7 | 171.7 | 179.3 | 65.2 | 0 | 0 | 0 | 109.6 | I60 L61 Q64 P67 F172 Y173 E220 | I60-L218 CarbonylContact C-O 3.53Å; I60-L218 WeakPolarHBondContact CA-O 3.34Å; L61-L218 HydrophobicContact CD1-CD2 4.5Å; L61-L218 PolarHBondContact N-O 2.87Å; L61-L218 PolarHBondContact O-N 2.88Å; Q64-L218 HydrophobicContact CB-CB 4.02Å; Q64-L218 HydrophobicContact CG-CB 3.86Å; P67-L218 HydrophobicContact CG-CD1 4.49Å; F172-L218 CarbonylContact O-C 3.58Å; F172-L218 WeakPolarHBondContact O-CA 3.27Å; Y173-L218 HydrophobicContact CD2-CB 4.18Å; Y173-L218 HydrophobicContact CD2-CD1 4.3Å; L218-E220 HydrophobicContact CD2-CG 4.33Å; L218-E220 HydrophobicContact CG-CG 4.17Å |
| 219 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134 | 171.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | M58 R59 I60 S171 F172 Y174 V208 T217 F221 | M58-V219 HydrophobicContact CG-CG1 3.91Å; M58-V219 HydrophobicContact SD-CG1 4.07Å; R59-V219 CarbonylContact O-C 3.49Å; R59-V219 WeakPolarHBondContact O-CA 3.26Å; I60-V219 HydrophobicContact CG1-CG1 4.29Å; I60-V219 HydrophobicContact CG1-CG2 4.25Å; I60-V219 HydrophobicContact CG2-CG2 4.01Å; S171-V219 CarbonylContact C-O 3.58Å; S171-V219 WeakPolarHBondContact CA-O 2.94Å; F172-V219 HydrophobicContact CB-CB 4.19Å; F172-V219 PolarHBondContact N-O 2.75Å; F172-V219 PolarHBondContact O-N 3.32Å; Y174-V219 HydrophobicContact CE2-CG2 3.89Å; V208-V219 HydrophobicContact CG1-CG2 3.77Å; V208-V219 HydrophobicContact CG2-CB 4.44Å; V208-V219 HydrophobicContact CG2-CG1 3.88Å; V208-V219 HydrophobicContact CG2-CG2 4.08Å; T217-V219 HydrophobicContact CG2-CG2 4.42Å; V219-F221 HydrophobicContact CG1-CD2 4.26Å; V219-F221 HydrophobicContact CG1-CE1 4.38Å; V219-F221 HydrophobicContact CG1-CE2 3.6Å; V219-F221 HydrophobicContact CG1-CZ 3.68Å |
| 220 | E | 97.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.7 | 175.7 | -57.4 | -171.6 | 119.3 | 0 | 0 | 110.6 | M58 R59 K169 I170 L218 | M58-E220 CarbonylContact C-O 3.56Å; M58-E220 VanDerWaalsContact CA-O 3.32Å; M58-E220 WeakPolarHBondContact CA-O 3.35Å; R59-E220 HydrophobicContact CB-CB 4.41Å; R59-E220 PolarHBondContact N-O 3.37Å; R59-E220 IonicContact NH1-OE2 2.74Å; R59-E220 PolarHBondContact NH1-OE2 2.84Å; R59-E220 PolarHBondContact O-N 3.13Å; K169-E220 HydrophobicContact CD-CB 4.31Å; K169-E220 HydrophobicContact CD-CG 4.49Å; K169-E220 WeakPolarHBondContact CE-OE1 3.33Å; K169-E220 IonicContact NZ-OE1 3.74Å; K169-E220 PolarHBondContact NZ-OE1 3.31Å; I170-E220 CarbonylContact O-C 3.42Å; I170-E220 WeakPolarHBondContact O-CA 3.34Å; L218-E220 HydrophobicContact CD2-CG 4.33Å; L218-E220 HydrophobicContact CG-CG 4.17Å |
| 221 | F | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.5 | 169.8 | -55.8 | -86.6 | 0 | 0 | 0 | 109.5 | Y56 S57 M58 K169 I170 F172 I190 I206 V208 V219 | Y56-F221 HydrophobicContact CD1-CB 4.13Å; S57-F221 WeakPolarHBondContact O-CA 3.01Å; M58-F221 HydrophobicContact CB-CD1 4.15Å; M58-F221 HydrophobicContact CB-CE1 4.21Å; M58-F221 HydrophobicContact CG-CD1 4.09Å; M58-F221 HydrophobicContact CG-CE1 3.79Å; M58-F221 HydrophobicContact CG-CZ 4.4Å; M58-F221 HydrophobicContact SD-CD1 4.38Å; M58-F221 HydrophobicContact SD-CE1 3.52Å; M58-F221 VanDerWaalsContact SD-CE1 3.52Å; M58-F221 HydrophobicContact SD-CZ 3.95Å; K169-F221 WeakPolarHBondContact CA-O 3.45Å; I170-F221 HydrophobicContact CB-CB 4.35Å; I170-F221 HydrophobicContact CB-CD2 4.36Å; I170-F221 HydrophobicContact CG2-CD2 4.35Å; I170-F221 PolarHBondContact N-O 2.99Å; I170-F221 PolarHBondContact O-N 3.24Å; F172-F221 AromaticContact CD2-CE2 3.65Å; F172-F221 HydrophobicContact CD2-CE2 3.65Å; F172-F221 HydrophobicContact CD2-CZ 4.29Å; F172-F221 AromaticContact CE2-CE2 3.51Å; F172-F221 HydrophobicContact CE2-CE2 3.51Å; F172-F221 HydrophobicContact CE2-CZ 4.03Å; F172-F221 HydrophobicContact CG-CE2 4.31Å; F172-F221 HydrophobicContact CZ-CE2 4.05Å; I190-F221 HydrophobicContact CD1-CB 3.99Å; I190-F221 HydrophobicContact CD1-CD1 3.74Å; I190-F221 HydrophobicContact CD1-CE1 4.36Å; I190-F221 HydrophobicContact CD1-CG 3.84Å; I190-F221 HydrophobicContact CG1-CD1 4.13Å; I190-F221 HydrophobicContact CG1-CE1 4.25Å; I190-F221 HydrophobicContact CG1-CG 4.42Å; I190-F221 HydrophobicContact CG2-CD2 4.14Å; I190-F221 HydrophobicContact CG2-CE2 4.23Å; I190-F221 HydrophobicContact CG2-CG 4.46Å; I206-F221 HydrophobicContact CB-CE1 4.24Å; I206-F221 HydrophobicContact CG2-CD1 4.19Å; I206-F221 HydrophobicContact CG2-CE1 3.66Å; V208-F221 HydrophobicContact CG2-CE2 4.42Å; V208-F221 HydrophobicContact CG2-CZ 3.77Å; V219-F221 HydrophobicContact CG1-CD2 4.26Å; V219-F221 HydrophobicContact CG1-CE1 4.38Å; V219-F221 HydrophobicContact CG1-CE2 3.6Å; V219-F221 HydrophobicContact CG1-CZ 3.68Å |
| 222 | E | 93.7 | Very high | 93.4 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.3 | 176.7 | -167.9 | -177.2 | 167 | 0 | 0 | 109.7 | Y56 S57 K268 | Y56-E222 CarbonylContact C-O 3.51Å; Y56-E222 VanDerWaalsContact CA-O 3.25Å; Y56-E222 WeakPolarHBondContact CA-O 3.3Å; S57-E222 PolarHBondContact N-O 2.78Å; S57-E222 PolarHBondContact O-N 2.99Å; E222-K268 VanDerWaalsContact CD-NZ 3.32Å; E222-K268 WeakPolarHBondContact OE1-CE 3.18Å; E222-K268 IonicContact OE1-NZ 2.72Å; E222-K268 PolarHBondContact OE1-NZ 3.23Å; E222-K268 WeakPolarHBondContact OE2-CE 3.43Å; E222-K268 IonicContact OE2-NZ 3.46Å; E222-K268 PolarHBondContact OE2-NZ 3.17Å |
| 223 | A | 91.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 135.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N55 Y56 | N55-A223 WeakPolarHBondContact O-CA 3.49Å; Y56-A223 HydrophobicContact CD1-CB 4.33Å; Y56-A223 HydrophobicContact CE1-CB 3.99Å |
| 224 | I | 89.9 | Confident | 92.9 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 124.2 | 173.7 | -62.6 | 171.7 | 0 | 0 | 0 | 107.9 | L52 N55 Y56 S229 I257 | L52-I224 HydrophobicContact CD2-CD1 3.98Å; N55-I224 PolarHBondContact O-N 3.29Å; Y56-I224 VanDerWaalsContact C-CD1 3.44Å; Y56-I224 WeakPolarHBondContact O-CD1 3.27Å; I224-S229 WeakPolarHBondContact CG2-OG 3.17Å; I224-I257 HydrophobicContact CD1-CG2 4.41Å; I224-I257 HydrophobicContact CG2-CB 4.31Å; I224-I257 HydrophobicContact CG2-CG2 3.99Å |
| 225 | G | 87.7 | Confident | 92.7 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 156.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S229 E258 | G225-S229 PolarHBondContact O-OG 3.23Å; G225-E258 VanDerWaalsContact CA-CD 3.41Å; G225-E258 VanDerWaalsContact CA-OE1 3.23Å; G225-E258 WeakPolarHBondContact CA-OE1 3.28Å |
| 226 | E | 83.5 | Confident | 92.5 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -86.5 | -25.2 | -169.6 | -62.1 | 175.4 | -157.9 | 0 | 0 | 113.5 | F24 S229 E258 | F24-E226 HydrophobicContact CB-CG 4.47Å; F24-E226 WeakPolarHBondContact CB-OE1 3.49Å; F24-E226 HydrophobicContact CD2-CG 4.03Å; F24-E226 PolarHBondContact N-OE2 3.32Å; E226-S229 PolarHBondContact O-N 2.95Å; E226-E258 PolarHBondContact N-OE1 2.82Å |
| 227 | I | 88 | Confident | 92.4 | Very high | 86 Ų | 86 | 39.1 Ų | 39.1 | 44% | 0.441 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.9 | -43.8 | -170.9 | -58.3 | 171.9 | 0 | 0 | 0 | 110.2 | Q230 Y231 T245 E258 | I227-Q230 VanDerWaalsContact O-CG 3.3Å; I227-Q230 WeakPolarHBondContact O-CG 3.41Å; I227-Q230 PolarHBondContact O-NE2 2.83Å; I227-Y231 VanDerWaalsContact O-CE2 3.26Å; I227-Y231 WeakPolarHBondContact O-CE2 3Å; I227-T245 HydrophobicContact CB-CG2 4.14Å; I227-T245 HydrophobicContact CD1-CG2 4.38Å; I227-T245 HydrophobicContact CG2-CG2 3.93Å; I227-E258 WeakPolarHBondContact CA-OE1 3.43Å; I227-E258 VanDerWaalsContact CB-OE1 3.27Å; I227-E258 WeakPolarHBondContact CB-OE1 3.38Å; I227-E258 PolarHBondContact N-OE1 3.01Å |
| 228 | C | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.8 | -32.3 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | Q230 Y231 C247 C256 E258 | C228-Q230 PolarHBondContact O-N 2.9Å; C228-Y231 VanDerWaalsContact O-CD2 3.24Å; C228-Y231 WeakPolarHBondContact O-CD2 3.37Å; C228-Y231 PolarHBondContact O-N 2.81Å; C228-C247 HydrophobicContact CB-CB 3.81Å; C228-C247 WeakPolarHBondContact CB-SG 3.37Å; C228-C247 WeakPolarHBondContact SG-CA 3.21Å; C228-C247 WeakPolarHBondContact SG-CB 3.46Å; C228-C247 CovalentContact SG-SG 2.02Å; C228-C247 PolarHBondContact SG-SG 3.12Å; C228-C256 CarbonylContact C-O 3.55Å; C228-C256 VanDerWaalsContact O-CB 3.25Å; C228-C256 WeakPolarHBondContact O-CB 3.47Å; C228-C256 PolarHBondContact O-SG 2.77Å; C228-C256 VanDerWaalsContact O-SG 3.35Å; C228-E258 HydrophobicContact CB-CG 3.75Å; C228-E258 WeakPolarHBondContact SG-CG 3.4Å |
| 229 | S | 88.4 | Confident | 91.6 | Very high | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -15.2 | -176.3 | -65.6 | 0 | 0 | 0 | 0 | 114.6 | I224 G225 E226 Y231 C256 | I224-S229 WeakPolarHBondContact CG2-OG 3.17Å; G225-S229 PolarHBondContact O-OG 3.23Å; E226-S229 PolarHBondContact O-N 2.95Å; S229-Y231 VanDerWaalsContact C-N 3.34Å; S229-C256 WeakPolarHBondContact CA-O 3.1Å; S229-C256 PolarHBondContact N-O 3.15Å |
| 230 | Q | 86.9 | Confident | 91.2 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17.2 | 175.2 | 75.1 | -170.1 | -41 | 0 | 0 | 114.2 | I227 C228 | I227-Q230 VanDerWaalsContact O-CG 3.3Å; I227-Q230 WeakPolarHBondContact O-CG 3.41Å; I227-Q230 PolarHBondContact O-NE2 2.83Å; C228-Q230 PolarHBondContact O-N 2.9Å |
| 231 | Y | 90.9 | Very high | 90.7 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | trans | -90.2 | 124.1 | -179.1 | -55.8 | -69.5 | 0 | 0 | 0 | 110.2 | I227 C228 S229 S240 C256 | I227-Y231 VanDerWaalsContact O-CE2 3.26Å; I227-Y231 WeakPolarHBondContact O-CE2 3Å; C228-Y231 VanDerWaalsContact O-CD2 3.24Å; C228-Y231 WeakPolarHBondContact O-CD2 3.37Å; C228-Y231 PolarHBondContact O-N 2.81Å; S229-Y231 VanDerWaalsContact C-N 3.34Å; Y231-S240 WeakPolarHBondContact CD2-OG 3.32Å; Y231-S240 WeakPolarHBondContact CE2-OG 3.4Å; Y231-S240 WeakPolarHBondContact OH-CB 3.5Å; Y231-C256 WeakPolarHBondContact O-CB 3.5Å | ||
| 232 | N | 90.6 | Very high | 90.2 | Very high | 130 Ų | 130 | 59.3 Ų | 59.3 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | trans | -106.9 | 5.8 | -171.4 | 65.7 | -18.6 | 0 | 0 | 0 | 113.8 | W249 | N232-W249 WeakPolarHBondContact O-CH2 3.38Š| ||
| 233 | T | 92.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -132.8 | 154.3 | 172.5 | 85.5 | 0 | 0 | 0 | 0 | 111 | E235 T236 C237 | T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 VanDerWaalsContact CB-OE2 3.28Å; T233-E235 WeakPolarHBondContact CB-OE2 3.3Å; T233-E235 PolarHBondContact O-N 3.29Å; T233-E235 PolarHBondContact OG1-OE2 3.48Å; T233-T236 PolarHBondContact N-OG1 3.23Å; T233-T236 PolarHBondContact O-N 3.3Å; T233-T236 PolarHBondContact O-OG1 3.22Å; T233-T236 PolarHBondContact OG1-N 3.39Å; T233-T236 VanDerWaalsContact OG1-N 3.17Å; T233-T236 PolarHBondContact OG1-OG1 3.23Å; T233-C237 VanDerWaalsContact O-CB 3.26Å; T233-C237 WeakPolarHBondContact O-CB 3.47Å; T233-C237 PolarHBondContact O-N 2.85Å |
| 234 | S | 92.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 12% | 0.119 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.1 | -44.3 | 176.4 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | T236 C237 Q238 W249 E251 | S234-T236 PolarHBondContact O-N 2.94Å; S234-C237 PolarHBondContact O-N 3.35Å; S234-Q238 WeakPolarHBondContact O-CB 3.49Å; S234-Q238 VanDerWaalsContact O-CG 3.26Å; S234-Q238 WeakPolarHBondContact O-CG 3.32Å; S234-Q238 PolarHBondContact O-N 2.97Å; S234-Q238 PolarHBondContact OG-NE2 3.2Å; S234-W249 VanDerWaalsContact CA-CD2 3.49Å; S234-W249 VanDerWaalsContact OG-CD1 3.28Å; S234-E251 PolarHBondContact OG-OE1 3.28Å |
| 235 | E | 92.9 | Very high | 89.5 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70 | -35.1 | -177.3 | -51 | 75.9 | -166.3 | 0 | 0 | 112.7 | T233 R239 | T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 VanDerWaalsContact CB-OE2 3.28Å; T233-E235 WeakPolarHBondContact CB-OE2 3.3Å; T233-E235 PolarHBondContact O-N 3.29Å; T233-E235 PolarHBondContact OG1-OE2 3.48Å; E235-R239 WeakPolarHBondContact O-CB 3.43Å; E235-R239 VanDerWaalsContact O-CG 3.26Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.89Å; E235-R239 PolarHBondContact O-NE 3.01Å |
| 236 | T | 94.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 24% | 0.239 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76 | -36 | 177 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | T233 S234 S240 | T233-T236 PolarHBondContact N-OG1 3.23Å; T233-T236 PolarHBondContact O-N 3.3Å; T233-T236 PolarHBondContact O-OG1 3.22Å; T233-T236 PolarHBondContact OG1-N 3.39Å; T233-T236 VanDerWaalsContact OG1-N 3.17Å; T233-T236 PolarHBondContact OG1-OG1 3.23Å; S234-T236 PolarHBondContact O-N 2.94Å; T236-S240 WeakPolarHBondContact O-CB 3.49Å; T236-S240 PolarHBondContact O-N 3.31Å; T236-S240 PolarHBondContact O-OG 3.49Å |
| 237 | C | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | T233 S234 S240 C247 W249 C256 | T233-C237 VanDerWaalsContact O-CB 3.26Å; T233-C237 WeakPolarHBondContact O-CB 3.47Å; T233-C237 PolarHBondContact O-N 2.85Å; S234-C237 PolarHBondContact O-N 3.35Å; C237-S240 PolarHBondContact O-N 2.93Å; C237-S240 PolarHBondContact O-OG 2.78Å; C237-C247 WeakPolarHBondContact O-CB 3.33Å; C237-W249 HydrophobicContact CB-CB 4.21Å; C237-W249 HydrophobicContact CB-CD2 4.46Å; C237-W249 HydrophobicContact CB-CE3 3.72Å; C237-C256 VanDerWaalsContact CA-SG 3.51Å; C237-C256 HydrophobicContact CB-CB 3.62Å; C237-C256 WeakPolarHBondContact CB-SG 3.39Å; C237-C256 WeakPolarHBondContact SG-CB 3.34Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.02Å |
| 238 | Q | 90.2 | Very high | 90.6 | Very high | 120 Ų | 120 | 67.7 Ų | 67.7 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | -179.6 | -70.7 | 173.9 | 9.6 | 0 | 0 | 111.8 | S234 S240 | S234-Q238 WeakPolarHBondContact O-CB 3.49Å; S234-Q238 VanDerWaalsContact O-CG 3.26Å; S234-Q238 WeakPolarHBondContact O-CG 3.32Å; S234-Q238 PolarHBondContact O-N 2.97Å; S234-Q238 PolarHBondContact OG-NE2 3.2Å; Q238-S240 PolarHBondContact O-N 3.2Å |
| 239 | R | 91.8 | Very high | 90.6 | Very high | 195 Ų | 195 | 68.9 Ų | 68.9 | 74% | 0.736 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.5 | -15.3 | 179.4 | -74.2 | -174.1 | -64.5 | 166.7 | -1.7 | 114.6 | E235 T241 | E235-R239 WeakPolarHBondContact O-CB 3.43Å; E235-R239 VanDerWaalsContact O-CG 3.26Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.89Å; E235-R239 PolarHBondContact O-NE 3.01Å; R239-T241 VanDerWaalsContact C-N 3.33Å |
| 240 | S | 89.2 | Confident | 90.9 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.9 | -177.6 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | Y231 T236 C237 Q238 T242 C247 | Y231-S240 WeakPolarHBondContact CD2-OG 3.32Å; Y231-S240 WeakPolarHBondContact CE2-OG 3.4Å; Y231-S240 WeakPolarHBondContact OH-CB 3.5Å; T236-S240 WeakPolarHBondContact O-CB 3.49Å; T236-S240 PolarHBondContact O-N 3.31Å; T236-S240 PolarHBondContact O-OG 3.49Å; C237-S240 PolarHBondContact O-N 2.93Å; C237-S240 PolarHBondContact O-OG 2.78Å; Q238-S240 PolarHBondContact O-N 3.2Å; S240-T242 WeakPolarHBondContact O-CG2 3.24Å; S240-T242 PolarHBondContact O-N 3.08Å; S240-C247 PolarHBondContact OG-SG 2.85Å |
| 241 | T | 86.9 | Confident | 91.1 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | trans | -60.8 | 128.8 | 173 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | R239 T245 T246 C247 | R239-T241 VanDerWaalsContact C-N 3.33Å; T241-T245 CarbonylContact C-O 3.56Å; T241-T245 WeakPolarHBondContact CA-O 3.38Å; T241-T246 HydrophobicContact CG2-CG2 4.27Å; T241-C247 PolarHBondContact OG1-N 2.8Å; T241-C247 VanDerWaalsContact OG1-N 3.13Å | ||
| 242 | T | 87.3 | Confident | 91 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | trans | -126 | 176.3 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | S240 K244 T245 | S240-T242 WeakPolarHBondContact O-CG2 3.24Å; S240-T242 PolarHBondContact O-N 3.08Å; T242-K244 PolarHBondContact O-N 2.63Å; T242-K244 VanDerWaalsContact O-N 3.15Å; T242-K244 PolarHBondContact OG1-N 3.08Å; T242-T245 PolarHBondContact N-O 2.79Å; T242-T245 PolarHBondContact O-N 3.02Å; T242-T245 VanDerWaalsContact O-O 3.1Å; T242-T245 PolarHBondContact OG1-N 3.31Å | ||
| 243 | L | 82.4 | Confident | 90.9 | Very high | 189 Ų | 189 | 67.7 Ų | 67.7 | 99% | 0.99 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -58.7 | -24.5 | 175.1 | -68.6 | 173.1 | 0 | 0 | 0 | 114.3 | ||
| 244 | K | 86.5 | Confident | 90.7 | Very high | 186 Ų | 186 | 73.1 Ų | 73.1 | 81% | 0.809 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -105.9 | -18.7 | -177.5 | -67.6 | -174.7 | 179 | -179 | 0 | 113.6 | T242 | T242-K244 PolarHBondContact O-N 2.63Å; T242-K244 VanDerWaalsContact O-N 3.15Å; T242-K244 PolarHBondContact OG1-N 3.08Å |
| 245 | T | 91 | Very high | 90.6 | Very high | 14 Ų | 14 | 73.7 Ų | 73.7 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | trans | -138.9 | 119.2 | -172.8 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | I227 T241 T242 E258 N260 | I227-T245 HydrophobicContact CB-CG2 4.14Å; I227-T245 HydrophobicContact CD1-CG2 4.38Å; I227-T245 HydrophobicContact CG2-CG2 3.93Å; T241-T245 CarbonylContact C-O 3.56Å; T241-T245 WeakPolarHBondContact CA-O 3.38Å; T242-T245 PolarHBondContact N-O 2.79Å; T242-T245 PolarHBondContact O-N 3.02Å; T242-T245 VanDerWaalsContact O-O 3.1Å; T242-T245 PolarHBondContact OG1-N 3.31Å; T245-E258 HydrophobicContact CG2-CG 4.2Å; T245-N260 VanDerWaalsContact CA-OD1 3.25Å; T245-N260 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 246 | T | 93.3 | Very high | 90.6 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.258 | 33% | 0.329 | S | S | . | . | trans | -105.2 | 128 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | T241 S259 N260 H265 | T241-T246 HydrophobicContact CG2-CG2 4.27Å; T246-S259 WeakPolarHBondContact CB-O 3.46Å; T246-S259 PolarHBondContact O-N 3.46Å; T246-N260 PolarHBondContact N-OD1 3Å; T246-N260 PolarHBondContact O-OD1 2.84Å; T246-H265 VanDerWaalsContact CG2-CE1 3.47Å; T246-H265 WeakPolarHBondContact CG2-CE1 3.29Å | ||
| 247 | C | 94.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.4 | -178.8 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | C228 C237 S240 T241 I257 | C228-C247 HydrophobicContact CB-CB 3.81Å; C228-C247 WeakPolarHBondContact CB-SG 3.37Å; C228-C247 WeakPolarHBondContact SG-CA 3.21Å; C228-C247 WeakPolarHBondContact SG-CB 3.46Å; C228-C247 CovalentContact SG-SG 2.02Å; C228-C247 PolarHBondContact SG-SG 3.12Å; C237-C247 WeakPolarHBondContact O-CB 3.33Å; S240-C247 PolarHBondContact OG-SG 2.85Å; T241-C247 PolarHBondContact OG1-N 2.8Å; T241-C247 VanDerWaalsContact OG1-N 3.13Å; C247-I257 WeakPolarHBondContact CA-O 3.11Å |
| 248 | I | 93.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.2 | 174.2 | -61.9 | 174.1 | 0 | 0 | 0 | 108.6 | C256 I257 S259 K268 V269 C272 | I248-C256 CarbonylContact O-C 3.58Å; I248-C256 WeakPolarHBondContact O-CA 3.44Å; I248-I257 HydrophobicContact CB-CG1 4.24Å; I248-I257 PolarHBondContact N-O 2.8Å; I248-I257 PolarHBondContact O-N 2.88Å; I248-S259 WeakPolarHBondContact CD1-OG 3.44Å; I248-K268 HydrophobicContact CD1-CB 3.93Å; I248-V269 HydrophobicContact CD1-CB 4.29Å; I248-V269 HydrophobicContact CD1-CG2 3.39Å; I248-V269 HydrophobicContact CG1-CG2 4.12Å; I248-C272 HydrophobicContact CG2-CB 4.07Å |
| 249 | W | 93.7 | Very high | 90.6 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.8 | 171.5 | -177 | -103.6 | 0 | 0 | 0 | 110.7 | N232 S234 C237 E251 E254 C256 | N232-W249 WeakPolarHBondContact O-CH2 3.38Å; S234-W249 VanDerWaalsContact CA-CD2 3.49Å; S234-W249 VanDerWaalsContact OG-CD1 3.28Å; C237-W249 HydrophobicContact CB-CB 4.21Å; C237-W249 HydrophobicContact CB-CD2 4.46Å; C237-W249 HydrophobicContact CB-CE3 3.72Å; W249-E251 PolarHBondContact NE1-OE1 2.83Å; W249-E251 PolarHBondContact NE1-OE2 2.98Å; W249-E254 VanDerWaalsContact CH2-C 3.46Å; W249-E254 WeakPolarHBondContact CH2-O 3.28Å; W249-E254 HydrophobicContact CZ2-CB 4.41Å; W249-C256 HydrophobicContact CE3-CB 3.87Å; W249-C256 HydrophobicContact CZ3-CB 4.14Å |
| 250 | C | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 101.2 | 176.2 | -49.6 | 0 | 0 | 0 | 0 | 108.6 | L52 K252 G253 E254 K255 C272 | L52-C250 HydrophobicContact CD1-CB 4.1Å; C250-K252 PolarHBondContact O-N 3.08Å; C250-G253 CarbonylContact O-C 3.46Å; C250-G253 WeakPolarHBondContact O-CA 3.17Å; C250-G253 PolarHBondContact O-N 2.8Å; C250-E254 PolarHBondContact O-N 2.9Å; C250-K255 PolarHBondContact N-O 3.19Å; C250-K255 PolarHBondContact O-N 2.77Å; C250-C272 HydrophobicContact CB-CB 3.59Å; C250-C272 WeakPolarHBondContact CB-SG 3.38Å; C250-C272 WeakPolarHBondContact SG-CB 3.27Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 2.75Å |
| 251 | E | 91.4 | Very high | 90.3 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -52.5 | -169.8 | -67.5 | -66.5 | 172 | 0 | 0 | 112.3 | S234 W249 G253 E254 | S234-E251 PolarHBondContact OG-OE1 3.28Å; W249-E251 PolarHBondContact NE1-OE1 2.83Å; W249-E251 PolarHBondContact NE1-OE2 2.98Å; E251-G253 PolarHBondContact O-N 2.84Å; E251-E254 WeakPolarHBondContact O-CG 3.29Å; E251-E254 PolarHBondContact O-N 3.04Å |
| 252 | K | 89.5 | Confident | 90.2 | Very high | 126 Ų | 126 | 60.5 Ų | 60.5 | 55% | 0.548 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.6 | 177.6 | -176.6 | 170.4 | 166.2 | -161.8 | 0 | 113.2 | N40 V41 I42 C250 E254 | N40-K252 PolarHBondContact ND2-O 2.83Å; V41-K252 WeakPolarHBondContact O-CE 3.21Å; V41-K252 PolarHBondContact O-NZ 2.84Å; I42-K252 HydrophobicContact CG2-CB 4.47Å; I42-K252 VanDerWaalsContact O-CD 3.23Å; I42-K252 WeakPolarHBondContact O-CD 3.33Å; I42-K252 WeakPolarHBondContact O-CE 2.97Å; I42-K252 PolarHBondContact O-NZ 3Å; C250-K252 PolarHBondContact O-N 3.08Å; K252-E254 VanDerWaalsContact C-N 3.34Å |
| 253 | G | 87.4 | Confident | 90.1 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -20.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N40 I42 C250 E251 K255 | N40-G253 WeakPolarHBondContact ND2-CA 3.36Å; I42-G253 VanDerWaalsContact CD1-CA 3.41Å; C250-G253 CarbonylContact O-C 3.46Å; C250-G253 WeakPolarHBondContact O-CA 3.17Å; C250-G253 PolarHBondContact O-N 2.8Å; E251-G253 PolarHBondContact O-N 2.84Å; G253-K255 PolarHBondContact O-N 3.12Å; G253-K255 VanDerWaalsContact O-N 3.17Å |
| 254 | E | 89.9 | Confident | 90.3 | Very high | 160 Ų | 160 | 56.3 Ų | 56.3 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 38.2 | -163.8 | -61.4 | -176 | 173.7 | 0 | 0 | 112.5 | W249 C250 E251 K252 | W249-E254 VanDerWaalsContact CH2-C 3.46Å; W249-E254 WeakPolarHBondContact CH2-O 3.28Å; W249-E254 HydrophobicContact CZ2-CB 4.41Å; C250-E254 PolarHBondContact O-N 2.9Å; E251-E254 WeakPolarHBondContact O-CG 3.29Å; E251-E254 PolarHBondContact O-N 3.04Å; K252-E254 VanDerWaalsContact C-N 3.34Å |
| 255 | K | 90.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 139.8 | -171.6 | -167.2 | 171.7 | -177 | 177.3 | 0 | 111.5 | L52 H53 Y54 C250 G253 I257 | L52-K255 HydrophobicContact CD1-CB 4.23Å; L52-K255 HydrophobicContact CD1-CD 4.43Å; H53-K255 PolarHBondContact O-NZ 2.78Å; H53-K255 VanDerWaalsContact O-NZ 3.14Å; Y54-K255 PolarHBondContact O-NZ 3.14Å; C250-K255 PolarHBondContact N-O 3.19Å; C250-K255 PolarHBondContact O-N 2.77Å; G253-K255 PolarHBondContact O-N 3.12Å; G253-K255 VanDerWaalsContact O-N 3.17Å; K255-I257 HydrophobicContact CG-CG2 4.34Å |
| 256 | C | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.7 | 172 | -171 | 0 | 0 | 0 | 0 | 110.1 | C228 S229 Y231 C237 I248 W249 | C228-C256 CarbonylContact C-O 3.55Å; C228-C256 VanDerWaalsContact O-CB 3.25Å; C228-C256 WeakPolarHBondContact O-CB 3.47Å; C228-C256 PolarHBondContact O-SG 2.77Å; C228-C256 VanDerWaalsContact O-SG 3.35Å; S229-C256 WeakPolarHBondContact CA-O 3.1Å; S229-C256 PolarHBondContact N-O 3.15Å; Y231-C256 WeakPolarHBondContact O-CB 3.5Å; C237-C256 VanDerWaalsContact CA-SG 3.51Å; C237-C256 HydrophobicContact CB-CB 3.62Å; C237-C256 WeakPolarHBondContact CB-SG 3.39Å; C237-C256 WeakPolarHBondContact SG-CB 3.34Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.02Å; I248-C256 CarbonylContact O-C 3.58Å; I248-C256 WeakPolarHBondContact O-CA 3.44Å; W249-C256 HydrophobicContact CE3-CB 3.87Å; W249-C256 HydrophobicContact CZ3-CB 4.14Å |
| 257 | I | 93.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.9 | -178.1 | 67 | 170.5 | 0 | 0 | 0 | 112.1 | L52 I224 C247 I248 K255 | L52-I257 HydrophobicContact CD1-CG2 4.47Å; L52-I257 HydrophobicContact CD2-CG2 4.37Å; I224-I257 HydrophobicContact CD1-CG2 4.41Å; I224-I257 HydrophobicContact CG2-CB 4.31Å; I224-I257 HydrophobicContact CG2-CG2 3.99Å; C247-I257 WeakPolarHBondContact CA-O 3.11Å; I248-I257 HydrophobicContact CB-CG1 4.24Å; I248-I257 PolarHBondContact N-O 2.8Å; I248-I257 PolarHBondContact O-N 2.88Å; K255-I257 HydrophobicContact CG-CG2 4.34Å |
| 258 | E | 93.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.4 | 174.5 | -76.1 | 179.8 | -146.2 | 0 | 0 | 112.5 | G225 E226 I227 C228 T245 N260 K268 | G225-E258 VanDerWaalsContact CA-CD 3.41Å; G225-E258 VanDerWaalsContact CA-OE1 3.23Å; G225-E258 WeakPolarHBondContact CA-OE1 3.28Å; E226-E258 PolarHBondContact N-OE1 2.82Å; I227-E258 WeakPolarHBondContact CA-OE1 3.43Å; I227-E258 VanDerWaalsContact CB-OE1 3.27Å; I227-E258 WeakPolarHBondContact CB-OE1 3.38Å; I227-E258 PolarHBondContact N-OE1 3.01Å; C228-E258 HydrophobicContact CB-CG 3.75Å; C228-E258 WeakPolarHBondContact SG-CG 3.4Å; T245-E258 HydrophobicContact CG2-CG 4.2Å; E258-N260 PolarHBondContact OE2-ND2 2.97Å; E258-K268 PolarHBondContact O-NZ 2.79Å |
| 259 | S | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -139.4 | 53.3 | -179 | -163.4 | 0 | 0 | 0 | 0 | 111.3 | T246 I248 H265 | T246-S259 WeakPolarHBondContact CB-O 3.46Å; T246-S259 PolarHBondContact O-N 3.46Å; I248-S259 WeakPolarHBondContact CD1-OG 3.44Å; S259-H265 PolarHBondContact O-ND1 3.19Å; S259-H265 WeakPolarHBondContact OG-CA 3.44Å; S259-H265 PolarHBondContact OG-ND1 2.77Å | ||
| 260 | N | 87.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | trans | -77.8 | -22.6 | -172.3 | -55.9 | -31.8 | 0 | 0 | 0 | 113.6 | T245 T246 E258 P262 | T245-N260 VanDerWaalsContact CA-OD1 3.25Å; T245-N260 WeakPolarHBondContact CA-OD1 3.44Å; T246-N260 PolarHBondContact N-OD1 3Å; T246-N260 PolarHBondContact O-OD1 2.84Å; E258-N260 PolarHBondContact OE2-ND2 2.97Å; N260-P262 WeakPolarHBondContact O-CD 3.3Å | ||
| 261 | N | 85.7 | Confident | 89.7 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | trans | -82.2 | 115.1 | 178.8 | -178.5 | -6.6 | 0 | 0 | 0 | 109.4 | D263 T264 H265 | N261-D263 PolarHBondContact O-N 3.24Å; N261-D263 WeakPolarHBondContact OD1-CB 3.17Å; N261-D263 PolarHBondContact OD1-N 3.29Å; N261-T264 WeakPolarHBondContact CB-OG1 3.46Å; N261-T264 PolarHBondContact O-N 3.17Å; N261-H265 WeakPolarHBondContact O-CB 3.48Å; N261-H265 PolarHBondContact O-N 3.04Å | ||
| 262 | P | 85.1 | Confident | 89.6 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 72% | 0.721 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.7 | -36.4 | 179.6 | -24 | 35.4 | 0 | 0 | 0 | 113.2 | N260 T264 H265 | N260-P262 WeakPolarHBondContact O-CD 3.3Å; P262-T264 VanDerWaalsContact C-N 3.31Å; P262-T264 PolarHBondContact O-N 3.37Å; P262-H265 PolarHBondContact O-N 3.26Å |
| 263 | D | 85.5 | Confident | 89.2 | Confident | 148 Ų | 148 | 54.1 Ų | 54.1 | 79% | 0.791 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.6 | -30.4 | -175.3 | -57.9 | -31.8 | 0 | 0 | 0 | 112.2 | N261 | N261-D263 PolarHBondContact O-N 3.24Å; N261-D263 WeakPolarHBondContact OD1-CB 3.17Å; N261-D263 PolarHBondContact OD1-N 3.29Å |
| 264 | T | 87.1 | Confident | 88.1 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -103.3 | -2.2 | 178.5 | 65.6 | 0 | 0 | 0 | 0 | 113 | N261 P262 L267 K268 | N261-T264 WeakPolarHBondContact CB-OG1 3.46Å; N261-T264 PolarHBondContact O-N 3.17Å; P262-T264 VanDerWaalsContact C-N 3.31Å; P262-T264 PolarHBondContact O-N 3.37Å; T264-L267 PolarHBondContact O-N 2.96Å; T264-K268 WeakPolarHBondContact O-CG 3.25Å; T264-K268 PolarHBondContact O-N 2.83Å |
| 265 | H | 89.4 | Confident | 86.2 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -53.3 | -175.5 | 179 | 82.6 | 0 | 0 | 0 | 112.1 | T246 S259 N261 P262 L267 K268 V269 | T246-H265 VanDerWaalsContact CG2-CE1 3.47Å; T246-H265 WeakPolarHBondContact CG2-CE1 3.29Å; S259-H265 PolarHBondContact O-ND1 3.19Å; S259-H265 WeakPolarHBondContact OG-CA 3.44Å; S259-H265 PolarHBondContact OG-ND1 2.77Å; N261-H265 WeakPolarHBondContact O-CB 3.48Å; N261-H265 PolarHBondContact O-N 3.04Å; P262-H265 PolarHBondContact O-N 3.26Å; H265-L267 VanDerWaalsContact C-N 3.28Å; H265-L267 PolarHBondContact O-N 2.69Å; H265-K268 PolarHBondContact O-N 2.67Å; H265-V269 WeakPolarHBondContact NE2-CG2 3.36Å; H265-V269 WeakPolarHBondContact O-CG2 3.07Å; H265-V269 PolarHBondContact O-N 2.89Å |
| 266 | G | 89.3 | Confident | 83.9 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V269 N270 | G266-V269 PolarHBondContact O-N 3.3Å; G266-N270 VanDerWaalsContact O-CG 3.3Å; G266-N270 PolarHBondContact O-N 2.98Å; G266-N270 PolarHBondContact O-ND2 3.22Å |
| 267 | L | 89.6 | Confident | 81.2 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.3 | 178.9 | 61.9 | 0 | 0 | 0 | 111.3 | R59 T264 H265 V269 N270 D271 | R59-L267 VanDerWaalsContact CZ-CD2 3.5Å; T264-L267 PolarHBondContact O-N 2.96Å; H265-L267 VanDerWaalsContact C-N 3.28Å; H265-L267 PolarHBondContact O-N 2.69Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.79Å; L267-N270 PolarHBondContact O-N 2.87Å; L267-N270 VanDerWaalsContact O-N 3.15Å; L267-D271 WeakPolarHBondContact O-CB 3.34Å; L267-D271 VanDerWaalsContact O-CG 3.25Å; L267-D271 PolarHBondContact O-N 2.92Å |
| 268 | K | 91.6 | Very high | 78.3 | Confident | 13 Ų | 13 | 74 Ų | 74 | 6% | 0.057 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 177.5 | -71.1 | -173.7 | -178.8 | -172.6 | 0 | 112.7 | E222 I248 E258 T264 H265 C272 | E222-K268 VanDerWaalsContact CD-NZ 3.32Å; E222-K268 WeakPolarHBondContact OE1-CE 3.18Å; E222-K268 IonicContact OE1-NZ 2.72Å; E222-K268 PolarHBondContact OE1-NZ 3.23Å; E222-K268 WeakPolarHBondContact OE2-CE 3.43Å; E222-K268 IonicContact OE2-NZ 3.46Å; E222-K268 PolarHBondContact OE2-NZ 3.17Å; I248-K268 HydrophobicContact CD1-CB 3.93Å; E258-K268 PolarHBondContact O-NZ 2.79Å; T264-K268 WeakPolarHBondContact O-CG 3.25Å; T264-K268 PolarHBondContact O-N 2.83Å; H265-K268 PolarHBondContact O-N 2.67Å; K268-C272 WeakPolarHBondContact O-CB 3.41Å; K268-C272 PolarHBondContact O-N 3.41Å; K268-C272 VanDerWaalsContact O-N 3.15Å |
| 269 | V | 91 | Very high | 75.5 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 10% | 0.097 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | I248 H265 G266 L267 C272 R273 | I248-V269 HydrophobicContact CD1-CB 4.29Å; I248-V269 HydrophobicContact CD1-CG2 3.39Å; I248-V269 HydrophobicContact CG1-CG2 4.12Å; H265-V269 WeakPolarHBondContact NE2-CG2 3.36Å; H265-V269 WeakPolarHBondContact O-CG2 3.07Å; H265-V269 PolarHBondContact O-N 2.89Å; G266-V269 PolarHBondContact O-N 3.3Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.79Å; V269-C272 PolarHBondContact O-N 2.76Å; V269-R273 HydrophobicContact CG1-CG 4.2Å; V269-R273 WeakPolarHBondContact O-CB 3.41Å; V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.05Å; V269-R273 PolarHBondContact O-N 2.83Å |
| 270 | N | 90 | Very high | 72.8 | Confident | 103 Ų | 103 | 82 Ų | 82 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 179.8 | -68.5 | -18.3 | 0 | 0 | 0 | 111.4 | G266 L267 C272 R273 V274 | G266-N270 VanDerWaalsContact O-CG 3.3Å; G266-N270 PolarHBondContact O-N 2.98Å; G266-N270 PolarHBondContact O-ND2 3.22Å; L267-N270 PolarHBondContact O-N 2.87Å; L267-N270 VanDerWaalsContact O-N 3.15Å; N270-C272 PolarHBondContact O-N 2.82Å; N270-R273 PolarHBondContact O-N 2.83Å; N270-V274 WeakPolarHBondContact O-CG2 3.37Å; N270-V274 PolarHBondContact O-N 2.75Å |
| 271 | D | 91 | Very high | 70.7 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 2% | 0.021 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -53.9 | -37.2 | 177.5 | -76.3 | -17.4 | 0 | 0 | 0 | 113.3 | I42 Y48 Y50 R59 L267 | I42-D271 VanDerWaalsContact CG2-O 3.25Å; I42-D271 WeakPolarHBondContact CG2-O 3.36Å; Y48-D271 PolarHBondContact OH-OD1 2.8Å; Y48-D271 PolarHBondContact OH-OD2 2.82Å; Y50-D271 HydrophobicContact CD1-CB 3.61Å; Y50-D271 HydrophobicContact CD2-CB 4.25Å; Y50-D271 HydrophobicContact CE1-CB 3.69Å; Y50-D271 HydrophobicContact CE2-CB 4.3Å; Y50-D271 HydrophobicContact CG-CB 3.91Å; R59-D271 IonicContact CZ-OD2 3.5Å; R59-D271 IonicContact NE-OD2 3.17Å; R59-D271 PolarHBondContact NE-OD2 2.83Å; R59-D271 IonicContact NH2-OD2 3.9Å; R59-D271 PolarHBondContact NH2-OD2 2.85Å; L267-D271 WeakPolarHBondContact O-CB 3.34Å; L267-D271 VanDerWaalsContact O-CG 3.25Å; L267-D271 PolarHBondContact O-N 2.92Å |
| 272 | C | 89.5 | Confident | 68.8 | Low | 6 Ų | 6 | 88.4 Ų | 88.4 | 4% | 0.041 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -90.1 | -19.1 | 179.9 | -77.2 | 0 | 0 | 0 | 0 | 114.4 | I248 C250 K268 V269 N270 | I248-C272 HydrophobicContact CG2-CB 4.07Å; C250-C272 HydrophobicContact CB-CB 3.59Å; C250-C272 WeakPolarHBondContact CB-SG 3.38Å; C250-C272 WeakPolarHBondContact SG-CB 3.27Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 2.75Å; K268-C272 WeakPolarHBondContact O-CB 3.41Å; K268-C272 PolarHBondContact O-N 3.41Å; K268-C272 VanDerWaalsContact O-N 3.15Å; V269-C272 PolarHBondContact O-N 2.76Å; N270-C272 PolarHBondContact O-N 2.82Å |
| 273 | R | 82.3 | Confident | 66.8 | Low | 173 Ų | 173 | 89.1 Ų | 89.1 | 65% | 0.653 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -100.5 | -8.2 | -178.4 | -74.6 | -172.2 | -178.1 | 170.7 | 0.9 | 114.4 | V269 N270 E275 | V269-R273 HydrophobicContact CG1-CG 4.2Å; V269-R273 WeakPolarHBondContact O-CB 3.41Å; V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.05Å; V269-R273 PolarHBondContact O-N 2.83Å; N270-R273 PolarHBondContact O-N 2.83Å; R273-E275 VanDerWaalsContact C-N 3.35Å; R273-E275 WeakPolarHBondContact O-CA 3.32Å; R273-E275 PolarHBondContact O-N 2.64Å |
| 274 | V | 63.4 | Low | 64.9 | Low | 60 Ų | 60 | 89.8 Ų | 89.8 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | trans | -48.4 | 105.9 | -173.3 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | F43 N270 T276 | F43-V274 HydrophobicContact CB-CB 4.21Å; F43-V274 HydrophobicContact CB-CG2 4.09Å; F43-V274 HydrophobicContact CD1-CG1 4.42Å; F43-V274 HydrophobicContact CD1-CG2 4.13Å; F43-V274 HydrophobicContact CD2-CB 3.78Å; F43-V274 HydrophobicContact CD2-CG1 3.33Å; F43-V274 HydrophobicContact CD2-CG2 4.18Å; F43-V274 HydrophobicContact CE1-CG1 4.49Å; F43-V274 HydrophobicContact CE2-CB 4.34Å; F43-V274 HydrophobicContact CE2-CG1 3.4Å; F43-V274 HydrophobicContact CG-CB 3.95Å; F43-V274 HydrophobicContact CG-CG1 3.89Å; F43-V274 HydrophobicContact CG-CG2 3.86Å; F43-V274 HydrophobicContact CZ-CG1 4Å; N270-V274 WeakPolarHBondContact O-CG2 3.37Å; N270-V274 PolarHBondContact O-N 2.75Å; V274-T276 PolarHBondContact O-N 3.29Å | ||
| 275 | E | 50.8 | Low | 63.1 | Low | 150 Ų | 150 | 94 Ų | 94 | 70% | 0.701 | 49% | 0.486 | S | S | * | . | trans | -59.3 | 134.5 | -168.1 | -66.2 | -173.7 | 149.2 | 0 | 0 | 105.8 | R273 T277 | R273-E275 VanDerWaalsContact C-N 3.35Å; R273-E275 WeakPolarHBondContact O-CA 3.32Å; R273-E275 PolarHBondContact O-N 2.64Å; E275-T277 PolarHBondContact O-N 2.84Å | ||
| 276 | T | 41.2 | Very low | 61.3 | Low | 117 Ų | 117 | 97.6 Ų | 97.6 | 72% | 0.718 | 50% | 0.503 | S | S | * | . | trans | -47 | 105 | 143.3 | -2.2 | 0 | 0 | 0 | 0 | 103.5 | V274 K278 | V274-T276 PolarHBondContact O-N 3.29Å; T276-K278 WeakPolarHBondContact O-CA 3.49Å; T276-K278 PolarHBondContact O-N 3.01Å | ||
| 277 | T | 36.9 | Very low | 59.9 | Low | 123 Ų | 123 | 103 Ų | 103 | 76% | 0.755 | 52% | 0.516 | S | S | * | . | trans | -41.3 | 104.9 | 157.9 | 34.4 | 0 | 0 | 0 | 0 | 103 | E275 T279 | E275-T277 PolarHBondContact O-N 2.84Å; T277-T279 VanDerWaalsContact C-N 3.3Å; T277-T279 PolarHBondContact O-N 3.08Å | ||
| 278 | K | 32.3 | Very low | 58.8 | Low | 165 Ų | 165 | 102.8 Ų | 102.8 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | trans | -52.4 | 109.8 | -172.5 | -76.9 | 171.2 | -179.3 | 160.2 | 0 | 103.4 | T276 T280 | T276-K278 WeakPolarHBondContact O-CA 3.49Å; T276-K278 PolarHBondContact O-N 3.01Å; K278-T280 PolarHBondContact O-N 3.02Å | ||
| 279 | T | 34.4 | Very low | 57.7 | Low | 118 Ų | 118 | 106.2 Ų | 106.2 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | trans | -61.8 | 94.7 | 174.2 | 6.1 | 0 | 0 | 0 | 0 | 104 | T277 | T277-T279 VanDerWaalsContact C-N 3.3Å; T277-T279 PolarHBondContact O-N 3.08Å | ||
| 280 | T | 35.3 | Very low | 56.8 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | trans | 45.6 | 113.3 | 161.1 | -15.9 | 0 | 0 | 0 | 0 | 115.3 | K278 E282 N283 | K278-T280 PolarHBondContact O-N 3.02Å; T280-E282 HydrophobicContact CG2-CB 4Å; T280-E282 HydrophobicContact CG2-CG 3.63Å; T280-E282 PolarHBondContact O-N 3.24Å; T280-N283 PolarHBondContact O-N 2.92Å | ||
| 281 | D | 44.1 | Very low | 56.2 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | -7.1 | 163.9 | -77.6 | -48.8 | 0 | 0 | 0 | 114.3 | N283 K284 Q285 | D281-N283 VanDerWaalsContact C-N 3.32Å; D281-N283 PolarHBondContact O-N 2.82Å; D281-K284 PolarHBondContact O-N 3.45Å; D281-Q285 PolarHBondContact O-N 2.74Å; D281-Q285 VanDerWaalsContact O-N 3.09Å |
| 282 | E | 45.4 | Very low | 55.6 | Low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.1 | -38.5 | 168.9 | -72.8 | 177 | 171.9 | 0 | 0 | 113.4 | T280 Q285 H286 | T280-E282 HydrophobicContact CG2-CB 4Å; T280-E282 HydrophobicContact CG2-CG 3.63Å; T280-E282 PolarHBondContact O-N 3.24Å; E282-Q285 PolarHBondContact O-N 2.8Å; E282-H286 WeakPolarHBondContact O-CB 3.06Å; E282-H286 PolarHBondContact O-N 3.14Å |
| 283 | N | 43.3 | Very low | 55.2 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.3 | -30.6 | -177.5 | -96.1 | -21.9 | 0 | 0 | 0 | 113.6 | T280 D281 K287 | T280-N283 PolarHBondContact O-N 2.92Å; D281-N283 VanDerWaalsContact C-N 3.32Å; D281-N283 PolarHBondContact O-N 2.82Å; N283-K287 WeakPolarHBondContact O-CB 3.18Å; N283-K287 PolarHBondContact O-N 2.89Å |
| 284 | K | 45.2 | Very low | 55.2 | Low | 163 Ų | 163 | 121.2 Ų | 121.2 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.4 | -39.4 | 173.1 | -96.6 | -175.8 | 178.8 | 177.8 | 0 | 111.1 | D281 K287 S288 | D281-K284 PolarHBondContact O-N 3.45Å; K284-K287 PolarHBondContact O-N 3.11Å; K284-S288 VanDerWaalsContact O-CB 3.32Å; K284-S288 WeakPolarHBondContact O-CB 3.11Å; K284-S288 PolarHBondContact O-N 3.5Å |
| 285 | Q | 49.3 | Very low | 56.1 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.1 | -42 | 177.5 | -165.6 | 158.3 | -7.9 | 0 | 0 | 111.2 | D281 E282 K287 S288 H289 | D281-Q285 PolarHBondContact O-N 2.74Å; D281-Q285 VanDerWaalsContact O-N 3.09Å; E282-Q285 PolarHBondContact O-N 2.8Å; Q285-K287 PolarHBondContact O-N 3.46Å; Q285-S288 PolarHBondContact O-N 3.15Å; Q285-H289 WeakPolarHBondContact O-CB 3.29Å; Q285-H289 PolarHBondContact O-CD2 3.25Å; Q285-H289 PolarHBondContact O-N 2.81Å |
| 286 | H | 51.8 | Low | 57.7 | Low | 141 Ų | 141 | 117.5 Ų | 117.5 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | 176.2 | -155.4 | -70.1 | 0 | 0 | 0 | 112.6 | E282 W290 | E282-H286 WeakPolarHBondContact O-CB 3.06Å; E282-H286 PolarHBondContact O-N 3.14Å; H286-W290 WeakPolarHBondContact O-CB 3.27Å; H286-W290 PolarHBondContact O-N 2.94Å |
| 287 | K | 58.7 | Low | 59.9 | Low | 154 Ų | 154 | 115.1 Ų | 115.1 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.9 | -41.8 | 173.1 | -85.8 | -176.9 | 178.1 | 177.5 | 0 | 112.5 | N283 K284 Q285 Y291 | N283-K287 WeakPolarHBondContact O-CB 3.18Å; N283-K287 PolarHBondContact O-N 2.89Å; K284-K287 PolarHBondContact O-N 3.11Å; Q285-K287 PolarHBondContact O-N 3.46Å; K287-Y291 WeakPolarHBondContact O-CB 3.47Å; K287-Y291 PolarHBondContact O-N 3.01Å |
| 288 | S | 67.5 | Low | 62.3 | Low | 66 Ų | 66 | 114 Ų | 114 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -46.9 | 179 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | K284 Q285 Y291 L292 | K284-S288 VanDerWaalsContact O-CB 3.32Å; K284-S288 WeakPolarHBondContact O-CB 3.11Å; K284-S288 PolarHBondContact O-N 3.5Å; Q285-S288 PolarHBondContact O-N 3.15Å; S288-Y291 PolarHBondContact O-N 3.46Å; S288-L292 WeakPolarHBondContact O-CB 3.35Å; S288-L292 PolarHBondContact O-N 3.14Å |
| 289 | H | 67.8 | Low | 65 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 39% | 0.394 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 176 | -78.4 | -115.2 | 0 | 0 | 0 | 111.5 | Q285 Y291 L292 Y293 | Q285-H289 WeakPolarHBondContact O-CB 3.29Å; Q285-H289 PolarHBondContact O-CD2 3.25Å; Q285-H289 PolarHBondContact O-N 2.81Å; H289-Y291 VanDerWaalsContact C-N 3.29Å; H289-Y291 PolarHBondContact O-N 3.32Å; H289-L292 PolarHBondContact O-N 3.02Å; H289-Y293 HydrophobicContact CB-CD2 4.13Å; H289-Y293 HydrophobicContact CB-CE2 4.33Å; H289-Y293 AromaticContact ND1-CE2 3.58Å; H289-Y293 WeakPolarHBondContact O-CB 3.12Å; H289-Y293 WeakPolarHBondContact O-CD2 3.38Å; H289-Y293 PolarHBondContact O-N 2.81Å |
| 290 | W | 72.9 | Confident | 67.6 | Low | 145 Ų | 145 | 106 Ų | 106 | 55% | 0.549 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.5 | 178.3 | 54.1 | 0 | 0 | 0 | 112.2 | H286 V294 | H286-W290 WeakPolarHBondContact O-CB 3.27Å; H286-W290 PolarHBondContact O-N 2.94Å; W290-V294 WeakPolarHBondContact O-CA 3.47Å; W290-V294 VanDerWaalsContact O-CB 3.24Å; W290-V294 WeakPolarHBondContact O-CB 3.3Å; W290-V294 PolarHBondContact O-N 2.91Å |
| 291 | Y | 76.6 | Confident | 70.1 | Confident | 147 Ų | 147 | 104.5 Ų | 104.5 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | I | π-helix | trans | -66 | -42.8 | 177 | -151.8 | -93.8 | 0 | 0 | 0 | 112.2 | K287 S288 H289 V295 I296 | K287-Y291 WeakPolarHBondContact O-CB 3.47Å; K287-Y291 PolarHBondContact O-N 3.01Å; S288-Y291 PolarHBondContact O-N 3.46Å; H289-Y291 VanDerWaalsContact C-N 3.29Å; H289-Y291 PolarHBondContact O-N 3.32Å; Y291-V295 HydrophobicContact CD2-CB 4.21Å; Y291-V295 HydrophobicContact CD2-CG1 4.43Å; Y291-V295 HydrophobicContact CD2-CG2 3.95Å; Y291-V295 HydrophobicContact CE2-CB 4.37Å; Y291-V295 HydrophobicContact CE2-CG1 4.1Å; Y291-V295 HydrophobicContact CE2-CG2 4.3Å; Y291-V295 HydrophobicContact CG-CB 4.32Å; Y291-V295 HydrophobicContact CG-CG2 4.38Å; Y291-V295 WeakPolarHBondContact O-CB 3.47Å; Y291-V295 PolarHBondContact O-N 3.22Å; Y291-I296 PolarHBondContact O-N 2.85Å |
| 292 | L | 79.1 | Confident | 72.3 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | I | π-helix | trans | -70.6 | -40.4 | -177.1 | -130.6 | 131 | 0 | 0 | 0 | 112.9 | S288 H289 I296 | S288-L292 WeakPolarHBondContact O-CB 3.35Å; S288-L292 PolarHBondContact O-N 3.14Å; H289-L292 PolarHBondContact O-N 3.02Å; L292-I296 HydrophobicContact CG-CD1 4.31Å |
| 293 | Y | 81.8 | Confident | 74.5 | Confident | 162 Ų | 162 | 103.4 Ų | 103.4 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | I | π-helix | trans | -95.8 | -22.5 | -174.3 | -67.9 | -72.6 | 0 | 0 | 0 | 114.5 | H289 P297 | H289-Y293 HydrophobicContact CB-CD2 4.13Å; H289-Y293 HydrophobicContact CB-CE2 4.33Å; H289-Y293 AromaticContact ND1-CE2 3.58Å; H289-Y293 WeakPolarHBondContact O-CB 3.12Å; H289-Y293 WeakPolarHBondContact O-CD2 3.38Å; H289-Y293 PolarHBondContact O-N 2.81Å; Y293-P297 WeakPolarHBondContact O-CG 3.43Å |
| 294 | V | 81 | Confident | 76.8 | Confident | 64 Ų | 64 | 103.3 Ų | 103.3 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -110.8 | -49.5 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | W290 L298 | W290-V294 WeakPolarHBondContact O-CA 3.47Å; W290-V294 VanDerWaalsContact O-CB 3.24Å; W290-V294 WeakPolarHBondContact O-CB 3.3Å; W290-V294 PolarHBondContact O-N 2.91Å; V294-L298 HydrophobicContact CG1-CD1 3.89Å; V294-L298 WeakPolarHBondContact O-CB 3.19Å; V294-L298 WeakPolarHBondContact O-CD1 3.43Å; V294-L298 WeakPolarHBondContact O-CG 3.44Å; V294-L298 PolarHBondContact O-N 2.78Å |
| 295 | V | 82 | Confident | 79 | Confident | 39 Ų | 39 | 100.6 Ų | 100.6 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | I | π-helix | trans | -74.1 | -46.4 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | Y291 L298 V299 | Y291-V295 HydrophobicContact CD2-CB 4.21Å; Y291-V295 HydrophobicContact CD2-CG1 4.43Å; Y291-V295 HydrophobicContact CD2-CG2 3.95Å; Y291-V295 HydrophobicContact CE2-CB 4.37Å; Y291-V295 HydrophobicContact CE2-CG1 4.1Å; Y291-V295 HydrophobicContact CE2-CG2 4.3Å; Y291-V295 HydrophobicContact CG-CB 4.32Å; Y291-V295 HydrophobicContact CG-CG2 4.38Å; Y291-V295 WeakPolarHBondContact O-CB 3.47Å; Y291-V295 PolarHBondContact O-N 3.22Å; V295-L298 PolarHBondContact O-N 3.45Å; V295-V299 HydrophobicContact CG1-CG2 4.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.46Å; V295-V299 PolarHBondContact O-N 2.81Å |
| 296 | I | 85.1 | Confident | 81 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | -178.5 | -63.5 | 175 | 0 | 0 | 0 | 112.3 | Y291 L292 L298 V299 A300 | Y291-I296 PolarHBondContact O-N 2.85Å; L292-I296 HydrophobicContact CG-CD1 4.31Å; I296-L298 PolarHBondContact O-N 2.69Å; I296-V299 PolarHBondContact O-N 2.91Å; I296-A300 WeakPolarHBondContact O-CB 3.19Å; I296-A300 PolarHBondContact O-N 2.91Å |
| 297 | P | 86.9 | Confident | 82.9 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 177.9 | -24.2 | 37.4 | 0 | 0 | 0 | 113.7 | Y293 A300 S301 | Y293-P297 WeakPolarHBondContact O-CG 3.43Å; P297-A300 PolarHBondContact O-N 2.87Å; P297-S301 WeakPolarHBondContact O-CB 3.23Å; P297-S301 PolarHBondContact O-N 2.78Å; P297-S301 PolarHBondContact O-OG 2.67Å; P297-S301 VanDerWaalsContact O-OG 3.09Å |
| 298 | L | 87.7 | Confident | 84.4 | Confident | 100 Ų | 100 | 90.2 Ų | 90.2 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.2 | -84.8 | 168 | 0 | 0 | 0 | 111.4 | V294 V295 I296 S301 L302 | V294-L298 HydrophobicContact CG1-CD1 3.89Å; V294-L298 WeakPolarHBondContact O-CB 3.19Å; V294-L298 WeakPolarHBondContact O-CD1 3.43Å; V294-L298 WeakPolarHBondContact O-CG 3.44Å; V294-L298 PolarHBondContact O-N 2.78Å; V295-L298 PolarHBondContact O-N 3.45Å; I296-L298 PolarHBondContact O-N 2.69Å; L298-S301 PolarHBondContact O-N 2.75Å; L298-S301 PolarHBondContact O-OG 2.88Å; L298-L302 PolarHBondContact O-N 2.96Å; L298-L302 VanDerWaalsContact O-N 3.09Å |
| 299 | V | 88.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 90.4 Ų | 90.4 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | V295 I296 S301 L302 F303 | V295-V299 HydrophobicContact CG1-CG2 4.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.46Å; V295-V299 PolarHBondContact O-N 2.81Å; I296-V299 PolarHBondContact O-N 2.91Å; V299-S301 PolarHBondContact O-N 2.78Å; V299-L302 PolarHBondContact O-N 2.65Å; V299-F303 HydrophobicContact CG1-CD2 3.7Å; V299-F303 HydrophobicContact CG1-CE2 3.47Å; V299-F303 VanDerWaalsContact CG1-CE2 3.47Å; V299-F303 WeakPolarHBondContact O-CD2 3.21Å; V299-F303 PolarHBondContact O-N 2.88Å |
| 300 | A | 89.1 | Confident | 86.6 | Confident | 48 Ų | 48 | 91.9 Ų | 91.9 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I296 P297 F303 L304 | I296-A300 WeakPolarHBondContact O-CB 3.19Å; I296-A300 PolarHBondContact O-N 2.91Å; P297-A300 PolarHBondContact O-N 2.87Å; A300-F303 PolarHBondContact O-N 3.07Å; A300-L304 WeakPolarHBondContact O-CG 3.44Å; A300-L304 PolarHBondContact O-N 2.99Å |
| 301 | S | 88.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 89.3 Ų | 89.3 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | P297 L298 V299 F303 L304 I305 | P297-S301 WeakPolarHBondContact O-CB 3.23Å; P297-S301 PolarHBondContact O-N 2.78Å; P297-S301 PolarHBondContact O-OG 2.67Å; P297-S301 VanDerWaalsContact O-OG 3.09Å; L298-S301 PolarHBondContact O-N 2.75Å; L298-S301 PolarHBondContact O-OG 2.88Å; V299-S301 PolarHBondContact O-N 2.78Å; S301-F303 PolarHBondContact O-N 3.01Å; S301-L304 PolarHBondContact O-N 2.81Å; S301-I305 WeakPolarHBondContact O-CD1 3.4Å; S301-I305 VanDerWaalsContact O-CG1 3.25Å; S301-I305 WeakPolarHBondContact O-CG1 3.14Å; S301-I305 PolarHBondContact O-N 2.73Å |
| 302 | L | 90.2 | Very high | 88 | Confident | 107 Ų | 107 | 91 Ų | 91 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 172 | -81.4 | 161.1 | 0 | 0 | 0 | 112 | L298 V299 L304 I305 C306 | L298-L302 PolarHBondContact O-N 2.96Å; L298-L302 VanDerWaalsContact O-N 3.09Å; V299-L302 PolarHBondContact O-N 2.65Å; L302-L304 PolarHBondContact O-N 3.49Å; L302-I305 PolarHBondContact O-N 3.1Å; L302-C306 PolarHBondContact O-N 2.82Å; L302-C306 PolarHBondContact O-SG 3.48Å |
| 303 | F | 90.7 | Very high | 88.4 | Confident | 132 Ų | 132 | 95.2 Ų | 95.2 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 176.9 | -83.9 | -69.5 | 0 | 0 | 0 | 112.6 | V299 A300 S301 I305 C306 I307 | V299-F303 HydrophobicContact CG1-CD2 3.7Å; V299-F303 HydrophobicContact CG1-CE2 3.47Å; V299-F303 VanDerWaalsContact CG1-CE2 3.47Å; V299-F303 WeakPolarHBondContact O-CD2 3.21Å; V299-F303 PolarHBondContact O-N 2.88Å; A300-F303 PolarHBondContact O-N 3.07Å; S301-F303 PolarHBondContact O-N 3.01Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-I305 PolarHBondContact O-N 3.29Å; F303-C306 PolarHBondContact O-N 2.98Å; F303-I307 VanDerWaalsContact O-CG1 3.28Å; F303-I307 WeakPolarHBondContact O-CG1 3.34Å; F303-I307 PolarHBondContact O-N 2.82Å |
| 304 | L | 91.4 | Very high | 88.6 | Confident | 122 Ų | 122 | 95 Ų | 95 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 176.6 | -71.1 | 170.7 | 0 | 0 | 0 | 112 | A300 S301 L302 I307 G308 | A300-L304 WeakPolarHBondContact O-CG 3.44Å; A300-L304 PolarHBondContact O-N 2.99Å; S301-L304 PolarHBondContact O-N 2.81Å; L302-L304 PolarHBondContact O-N 3.49Å; L304-I307 PolarHBondContact O-N 3.25Å; L304-G308 PolarHBondContact O-N 2.72Å |
| 305 | I | 91.3 | Very high | 88.9 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.3 | -67.4 | 163.9 | 0 | 0 | 0 | 110.4 | S301 L302 F303 I307 G308 C309 | S301-I305 WeakPolarHBondContact O-CD1 3.4Å; S301-I305 VanDerWaalsContact O-CG1 3.25Å; S301-I305 WeakPolarHBondContact O-CG1 3.14Å; S301-I305 PolarHBondContact O-N 2.73Å; L302-I305 PolarHBondContact O-N 3.1Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-I305 PolarHBondContact O-N 3.29Å; I305-I307 PolarHBondContact O-N 3.5Å; I305-G308 PolarHBondContact O-N 2.76Å; I305-C309 WeakPolarHBondContact O-CB 3.38Å; I305-C309 PolarHBondContact O-N 2.92Å; I305-C309 PolarHBondContact O-SG 2.89Å; I305-C309 VanDerWaalsContact O-SG 3.34Å |
| 306 | C | 91.2 | Very high | 88.9 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.9 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | L302 F303 C309 I310 | L302-C306 PolarHBondContact O-N 2.82Å; L302-C306 PolarHBondContact O-SG 3.48Å; F303-C306 PolarHBondContact O-N 2.98Å; C306-C309 PolarHBondContact O-N 2.66Å; C306-I310 VanDerWaalsContact O-CG1 3.26Å; C306-I310 WeakPolarHBondContact O-CG1 3.35Å; C306-I310 PolarHBondContact O-N 2.9Å |
| 307 | I | 92.2 | Very high | 88.7 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 177.1 | -67.5 | 165 | 0 | 0 | 0 | 110.3 | F303 L304 I305 C309 I310 I311 | F303-I307 VanDerWaalsContact O-CG1 3.28Å; F303-I307 WeakPolarHBondContact O-CG1 3.34Å; F303-I307 PolarHBondContact O-N 2.82Å; L304-I307 PolarHBondContact O-N 3.25Å; I305-I307 PolarHBondContact O-N 3.5Å; I307-C309 VanDerWaalsContact C-N 3.34Å; I307-C309 PolarHBondContact O-N 3.05Å; I307-I310 PolarHBondContact O-N 3.44Å; I307-I311 HydrophobicContact CG2-CD1 3.7Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 VanDerWaalsContact O-CG1 3.32Å; I307-I311 WeakPolarHBondContact O-CG1 3.36Å; I307-I311 PolarHBondContact O-N 2.85Å |
| 308 | G | 90.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 108.2 Ų | 108.2 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L304 I305 I310 I311 W312 | L304-G308 PolarHBondContact O-N 2.72Å; I305-G308 PolarHBondContact O-N 2.76Å; G308-I310 PolarHBondContact O-N 2.88Å; G308-I311 PolarHBondContact O-N 2.88Å; G308-W312 WeakPolarHBondContact O-CB 3.17Å; G308-W312 PolarHBondContact O-N 3.41Å |
| 309 | C | 91.2 | Very high | 87.8 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175.9 | -76.9 | 0 | 0 | 0 | 0 | 112.9 | I305 C306 I307 R313 | I305-C309 WeakPolarHBondContact O-CB 3.38Å; I305-C309 PolarHBondContact O-N 2.92Å; I305-C309 PolarHBondContact O-SG 2.89Å; I305-C309 VanDerWaalsContact O-SG 3.34Å; C306-C309 PolarHBondContact O-N 2.66Å; I307-C309 VanDerWaalsContact C-N 3.34Å; I307-C309 PolarHBondContact O-N 3.05Å; C309-R313 WeakPolarHBondContact O-CB 3.34Å; C309-R313 VanDerWaalsContact O-CG 3.31Å; C309-R313 WeakPolarHBondContact O-CG 3.33Å; C309-R313 PolarHBondContact O-N 2.76Å |
| 310 | I | 90.4 | Very high | 87.1 | Confident | 115 Ų | 115 | 118.5 Ų | 118.5 | 59% | 0.59 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -47.3 | 177.4 | -68.9 | 165.1 | 0 | 0 | 0 | 110.1 | C306 I307 G308 W312 R313 W314 | C306-I310 VanDerWaalsContact O-CG1 3.26Å; C306-I310 WeakPolarHBondContact O-CG1 3.35Å; C306-I310 PolarHBondContact O-N 2.9Å; I307-I310 PolarHBondContact O-N 3.44Å; G308-I310 PolarHBondContact O-N 2.88Å; I310-W312 PolarHBondContact O-N 2.92Å; I310-R313 PolarHBondContact O-N 3.49Å; I310-W314 WeakPolarHBondContact O-CB 3.5Å; I310-W314 PolarHBondContact O-N 3.11Å |
| 311 | I | 90.3 | Very high | 86.2 | Confident | 92 Ų | 92 | 120.1 Ų | 120.1 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 178 | -65.8 | 168.7 | 0 | 0 | 0 | 110.4 | I307 G308 R313 W314 L315 | I307-I311 HydrophobicContact CG2-CD1 3.7Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 VanDerWaalsContact O-CG1 3.32Å; I307-I311 WeakPolarHBondContact O-CG1 3.36Å; I307-I311 PolarHBondContact O-N 2.85Å; G308-I311 PolarHBondContact O-N 2.88Å; I311-R313 PolarHBondContact O-N 3.4Å; I311-W314 WeakPolarHBondContact O-CB 3.37Å; I311-W314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CG 3.2Å; I311-L315 PolarHBondContact O-N 2.88Å |
| 312 | W | 89.1 | Confident | 85.1 | Confident | 183 Ų | 183 | 123.9 Ų | 123.9 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.1 | -46.4 | 176.5 | -177.1 | -85.7 | 0 | 0 | 0 | 112.1 | G308 I310 W314 L315 L316 | G308-W312 WeakPolarHBondContact O-CB 3.17Å; G308-W312 PolarHBondContact O-N 3.41Å; I310-W312 PolarHBondContact O-N 2.92Å; W312-W314 VanDerWaalsContact C-N 3.29Å; W312-W314 PolarHBondContact O-N 3.07Å; W312-L315 PolarHBondContact O-N 3.27Å; W312-L316 HydrophobicContact CG-CD1 4.45Å; W312-L316 WeakPolarHBondContact O-CB 3.4Å; W312-L316 PolarHBondContact O-N 2.86Å |
| 313 | R | 87.2 | Confident | 83.5 | Confident | 186 Ų | 186 | 129.8 Ų | 129.8 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.5 | -36.5 | 175 | -79.3 | -177.1 | 174.9 | -156.6 | -0.5 | 112.2 | C309 I310 I311 R317 | C309-R313 WeakPolarHBondContact O-CB 3.34Å; C309-R313 VanDerWaalsContact O-CG 3.31Å; C309-R313 WeakPolarHBondContact O-CG 3.33Å; C309-R313 PolarHBondContact O-N 2.76Å; I310-R313 PolarHBondContact O-N 3.49Å; I311-R313 PolarHBondContact O-N 3.4Å; R313-R317 PolarHBondContact O-N 2.81Å; R313-R317 VanDerWaalsContact O-N 3.1Å |
| 314 | W | 86.3 | Confident | 83.1 | Confident | 159 Ų | 159 | 129.7 Ų | 129.7 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.9 | -43.1 | 178.1 | -163.5 | 79.1 | 0 | 0 | 0 | 111.7 | I310 I311 W312 R317 R318 | I310-W314 WeakPolarHBondContact O-CB 3.5Å; I310-W314 PolarHBondContact O-N 3.11Å; I311-W314 WeakPolarHBondContact O-CB 3.37Å; I311-W314 PolarHBondContact O-N 3.42Å; W312-W314 VanDerWaalsContact C-N 3.29Å; W312-W314 PolarHBondContact O-N 3.07Å; W314-R317 PolarHBondContact O-N 3.13Å; W314-R318 PolarHBondContact O-N 2.83Å; W314-R318 VanDerWaalsContact O-N 3.13Å |
| 315 | L | 87.1 | Confident | 82.7 | Confident | 95 Ų | 95 | 130.1 Ų | 130.1 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -39.1 | 175.1 | -71.4 | 171.3 | 0 | 0 | 0 | 112.8 | I311 W312 R318 K319 | I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CG 3.2Å; I311-L315 PolarHBondContact O-N 2.88Å; W312-L315 PolarHBondContact O-N 3.27Å; L315-R318 PolarHBondContact O-N 3.47Å; L315-K319 PolarHBondContact O-N 3.15Å |
| 316 | L | 81.8 | Confident | 82.2 | Confident | 97 Ų | 97 | 131.4 Ų | 131.4 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.7 | -40.4 | 174 | -90.3 | 166 | 0 | 0 | 0 | 112.5 | W312 R318 R320 | W312-L316 HydrophobicContact CG-CD1 4.45Å; W312-L316 WeakPolarHBondContact O-CB 3.4Å; W312-L316 PolarHBondContact O-N 2.86Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 3.47Å; L316-R320 PolarHBondContact O-N 3.45Å |
| 317 | R | 81.3 | Confident | 81.7 | Confident | 203 Ų | 203 | 135.2 Ų | 135.2 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.7 | -36.9 | 174.7 | -82.9 | -174 | 179.3 | -177.9 | -0.4 | 111.9 | R313 W314 R320 S321 | R313-R317 PolarHBondContact O-N 2.81Å; R313-R317 VanDerWaalsContact O-N 3.1Å; W314-R317 PolarHBondContact O-N 3.13Å; R317-R320 PolarHBondContact O-N 3.08Å; R317-S321 PolarHBondContact O-N 2.83Å |
| 318 | R | 79.5 | Confident | 81 | Confident | 145 Ų | 145 | 137.9 Ų | 137.9 | 55% | 0.547 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.4 | -39.3 | -179.8 | -158.2 | 173.8 | -175.3 | 176.4 | 0.5 | 112.7 | W314 L315 L316 R320 S321 | W314-R318 PolarHBondContact O-N 2.83Å; W314-R318 VanDerWaalsContact O-N 3.13Å; L315-R318 PolarHBondContact O-N 3.47Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 3.47Å; R318-R320 VanDerWaalsContact C-N 3.27Å; R318-R320 PolarHBondContact O-N 2.87Å; R318-S321 PolarHBondContact O-N 2.88Å; R318-S321 PolarHBondContact O-OG 3.09Å |
| 319 | K | 76.7 | Confident | 80.4 | Confident | 168 Ų | 168 | 144.5 Ų | 144.5 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.7 | -33 | 173.4 | -83.2 | -169.6 | 174.2 | -172.7 | 0 | 113.2 | L315 S321 D322 | L315-K319 PolarHBondContact O-N 3.15Å; K319-S321 VanDerWaalsContact C-N 3.27Å; K319-S321 PolarHBondContact O-N 2.95Å; K319-D322 PolarHBondContact O-N 2.96Å |
| 320 | R | 73.2 | Confident | 79.7 | Confident | 213 Ų | 213 | 149.9 Ų | 149.9 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -8.5 | 178.9 | -155.4 | -176.7 | -90.3 | -177.5 | -8.3 | 113.5 | L316 R317 R318 | L316-R320 PolarHBondContact O-N 3.45Å; R317-R320 PolarHBondContact O-N 3.08Å; R318-R320 VanDerWaalsContact C-N 3.27Å; R318-R320 PolarHBondContact O-N 2.87Å |
| 321 | S | 69.5 | Low | 78.8 | Confident | 81 Ų | 81 | 152.5 Ų | 152.5 | 57% | 0.566 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -13.5 | 171.6 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | R317 R318 K319 | R317-S321 PolarHBondContact O-N 2.83Å; R318-S321 PolarHBondContact O-N 2.88Å; R318-S321 PolarHBondContact O-OG 3.09Å; K319-S321 VanDerWaalsContact C-N 3.27Å; K319-S321 PolarHBondContact O-N 2.95Å |
| 322 | D | 65.8 | Low | 77.9 | Confident | 130 Ų | 130 | 157.6 Ų | 157.6 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | trans | -103.3 | 2.2 | -176.1 | -62.4 | -10.9 | 0 | 0 | 0 | 112.4 | K319 | K319-D322 PolarHBondContact O-N 2.96Š| ||
| 323 | E | 57.1 | Low | 76.9 | Confident | 231 Ų | 231 | 155.3 Ų | 155.3 | 100% | 1.079 | 68% | 0.682 | S | S | * | * | trans | -106.7 | 0 | 166.8 | -83.9 | 178.8 | 165.4 | 0 | 0 | 110.4 |
Retrieved 323 of 323 residues in 223.4 ms
(Link to these results)