| 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 | 54.5 | Low | 89.3 | Confident | 195 Ų | 195 | 52.8 Ų | 52.8 | 96% | 0.961 | 32% | 0.324 | S | S | * | . | 0 | 104 | 0 | -71.6 | 165.9 | -165 | 0 | 0 | 106.5 | |||||
| 2 | A | 80.6 | Confident | 89.9 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | trans | -108.3 | 135.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.03Š| ||
| 3 | V | 89 | Confident | 90.3 | Very high | 68 Ų | 68 | 54 Ų | 54 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -62 | 121.4 | 169 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | K119 | V3-K119 HydrophobicContact CG1-CB 3.65Å; V3-K119 HydrophobicContact CG1-CD 4.33Å; V3-K119 HydrophobicContact CG1-CG 4.03Å |
| 4 | P | 93.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 5% | 0.045 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 155.2 | 178.8 | 26.9 | -31.5 | 0 | 0 | 0 | 110.8 | A2 N124 V143 L150 | A2-P4 WeakPolarHBondContact O-CD 3.03Å; P4-N124 HydrophobicContact CG-CB 3.95Å; P4-N124 WeakPolarHBondContact O-CB 3.35Å; P4-N124 PolarHBondContact O-ND2 2.78Å; P4-V143 HydrophobicContact CB-CG1 3.88Å; P4-V143 HydrophobicContact CG-CG1 4.45Å; P4-L150 HydrophobicContact CB-CD2 3.74Å |
| 5 | P | 94.4 | Very high | 91.1 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -65 | 166.8 | 174.6 | 31.2 | -36.7 | 0 | 0 | 0 | 111.2 | D9 L10 L150 | P5-D9 HydrophobicContact CB-CB 3.86Å; P5-L10 HydrophobicContact CG-CD2 3.75Å; P5-L150 HydrophobicContact CG-CD1 4.22Å |
| 6 | T | 95.7 | Very high | 91.4 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -65 | 159.7 | 168 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | A8 D9 L10 N124 | T6-A8 PolarHBondContact O-N 3.24Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 WeakPolarHBondContact OG1-CB 3.42Å; T6-D9 VanDerWaalsContact OG1-CG 3.28Å; T6-D9 PolarHBondContact OG1-N 3Å; T6-D9 PolarHBondContact OG1-OD2 3.12Å; T6-L10 PolarHBondContact O-N 3.37Å; T6-N124 PolarHBondContact N-ND2 2.98Å |
| 7 | Y | 96 | Very high | 91.8 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -54.6 | -42.2 | 176.9 | -174.9 | -85.3 | 0 | 0 | 0 | 111.9 | D9 L10 V143 Q154 N168 A170 | Y7-D9 PolarHBondContact O-N 2.77Å; Y7-L10 HydrophobicContact CD2-CD1 4.07Å; Y7-L10 HydrophobicContact CE2-CD1 4.43Å; Y7-L10 HydrophobicContact CG-CD1 4.48Å; Y7-L10 WeakPolarHBondContact O-CB 3.45Å; Y7-L10 PolarHBondContact O-N 2.76Å; Y7-V143 HydrophobicContact CD2-CG2 4.42Å; Y7-Q154 HydrophobicContact CD1-CB 3.55Å; Y7-Q154 HydrophobicContact CD1-CG 4.14Å; Y7-Q154 HydrophobicContact CD2-CB 3.93Å; Y7-Q154 HydrophobicContact CE1-CB 3.53Å; Y7-Q154 HydrophobicContact CE1-CG 4.27Å; Y7-Q154 VanDerWaalsContact CE1-OE1 3.29Å; Y7-Q154 HydrophobicContact CE2-CB 3.91Å; Y7-Q154 HydrophobicContact CG-CB 3.78Å; Y7-N168 HydrophobicContact CE1-CB 4.36Å; Y7-N168 WeakPolarHBondContact OH-CB 3.26Å; Y7-A170 HydrophobicContact CE2-CB 3.72Å |
| 8 | A | 94.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -67.1 | -23 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T6 R15 | T6-A8 PolarHBondContact O-N 3.24Å; A8-R15 PolarHBondContact O-NH1 3.27Å; A8-R15 VanDerWaalsContact O-NH1 3.14Å; A8-R15 PolarHBondContact O-NH2 3.17Å |
| 9 | D | 95.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -91.4 | -2.7 | 177.8 | -70.4 | -49.6 | 0 | 0 | 0 | 112.9 | P5 T6 Y7 G11 K12 | P5-D9 HydrophobicContact CB-CB 3.86Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 WeakPolarHBondContact OG1-CB 3.42Å; T6-D9 VanDerWaalsContact OG1-CG 3.28Å; T6-D9 PolarHBondContact OG1-N 3Å; T6-D9 PolarHBondContact OG1-OD2 3.12Å; Y7-D9 PolarHBondContact O-N 2.77Å; D9-G11 PolarHBondContact O-N 3.26Å; D9-K12 HydrophobicContact CB-CD 4.29Å; D9-K12 WeakPolarHBondContact O-CB 3.3Å; D9-K12 PolarHBondContact O-N 3.13Å; D9-K12 VanDerWaalsContact O-N 3.11Å; D9-K12 VanDerWaalsContact OD1-CD 3.3Å; D9-K12 WeakPolarHBondContact OD1-CD 3.31Å; D9-K12 IonicContact OD1-NZ 2.7Å; D9-K12 PolarHBondContact OD1-NZ 3.12Å |
| 10 | L | 94.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 132.2 | 169.7 | -66.4 | 172.2 | 0 | 0 | 0 | 110 | P5 T6 Y7 K12 R15 V143 L150 A170 H181 | P5-L10 HydrophobicContact CG-CD2 3.75Å; T6-L10 PolarHBondContact O-N 3.37Å; Y7-L10 HydrophobicContact CD2-CD1 4.07Å; Y7-L10 HydrophobicContact CE2-CD1 4.43Å; Y7-L10 HydrophobicContact CG-CD1 4.48Å; Y7-L10 WeakPolarHBondContact O-CB 3.45Å; Y7-L10 PolarHBondContact O-N 2.76Å; L10-K12 PolarHBondContact O-N 3.43Å; L10-R15 PolarHBondContact O-NH2 2.88Å; L10-V143 HydrophobicContact CD1-CG2 4.17Å; L10-V143 HydrophobicContact CD2-CG1 4.29Å; L10-L150 HydrophobicContact CD2-CB 4.14Å; L10-L150 HydrophobicContact CD2-CD1 3.76Å; L10-A170 HydrophobicContact CD1-CB 3.68Å; L10-H181 VanDerWaalsContact CB-CE1 3.42Å; L10-H181 WeakPolarHBondContact CB-CE1 3.34Å |
| 11 | G | 94 | Very high | 92.5 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 12.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | D9 S13 A14 R15 | D9-G11 PolarHBondContact O-N 3.26Å; G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.44Å; G11-A14 PolarHBondContact O-N 3.19Å; G11-R15 PolarHBondContact O-N 2.73Å |
| 12 | K | 95.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | -177.8 | -179.6 | -178.2 | -163.9 | 160.2 | 0 | 113.5 | D9 L10 A14 R15 D16 | D9-K12 HydrophobicContact CB-CD 4.29Å; D9-K12 WeakPolarHBondContact O-CB 3.3Å; D9-K12 PolarHBondContact O-N 3.13Å; D9-K12 VanDerWaalsContact O-N 3.11Å; D9-K12 VanDerWaalsContact OD1-CD 3.3Å; D9-K12 WeakPolarHBondContact OD1-CD 3.31Å; D9-K12 IonicContact OD1-NZ 2.7Å; D9-K12 PolarHBondContact OD1-NZ 3.12Å; L10-K12 PolarHBondContact O-N 3.43Å; K12-A14 PolarHBondContact O-N 3.09Å; K12-R15 CarbonylContact O-C 3.53Å; K12-R15 WeakPolarHBondContact O-CB 3.49Å; K12-R15 PolarHBondContact O-N 3.15Å; K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 2.88Å |
| 13 | S | 95.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 179 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | G11 D16 V17 Q179 | G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.44Å; S13-D16 PolarHBondContact O-N 2.91Å; S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 2.9Å; S13-Q179 PolarHBondContact OG-NE2 2.88Å; S13-Q179 PolarHBondContact OG-OE1 3.4Å |
| 14 | A | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | G11 K12 D16 V17 F18 A205 | G11-A14 PolarHBondContact O-N 3.19Å; K12-A14 PolarHBondContact O-N 3.09Å; A14-D16 VanDerWaalsContact C-N 3.28Å; A14-D16 PolarHBondContact O-N 2.94Å; A14-V17 PolarHBondContact O-N 3.26Å; A14-V17 VanDerWaalsContact O-N 3.15Å; A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 2.6Å; A14-A205 HydrophobicContact CB-CB 4.03Å |
| 15 | R | 96.5 | Very high | 95.5 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -39 | 179.7 | -162.1 | -172.1 | -41.5 | 162.4 | 12.3 | 112.6 | A8 L10 G11 K12 F18 T19 | A8-R15 PolarHBondContact O-NH1 3.27Å; A8-R15 VanDerWaalsContact O-NH1 3.14Å; A8-R15 PolarHBondContact O-NH2 3.17Å; L10-R15 PolarHBondContact O-NH2 2.88Å; G11-R15 PolarHBondContact O-N 2.73Å; K12-R15 CarbonylContact O-C 3.53Å; K12-R15 WeakPolarHBondContact O-CB 3.49Å; K12-R15 PolarHBondContact O-N 3.15Å; R15-F18 PolarHBondContact O-N 2.84Å; R15-F18 VanDerWaalsContact O-N 3.15Å; R15-T19 HydrophobicContact CG-CG2 4.35Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 VanDerWaalsContact O-CG2 3.3Å; R15-T19 WeakPolarHBondContact O-CG2 3.33Å; R15-T19 PolarHBondContact O-N 3.22Å; R15-T19 PolarHBondContact O-OG1 3.4Å |
| 16 | D | 96.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 178.5 | -83.9 | -7.1 | 0 | 0 | 0 | 111.2 | K12 S13 A14 F18 T19 K20 | K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 2.88Å; S13-D16 PolarHBondContact O-N 2.91Å; A14-D16 VanDerWaalsContact C-N 3.28Å; A14-D16 PolarHBondContact O-N 2.94Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.81Å; D16-T19 PolarHBondContact O-N 3.03Å; D16-K20 HydrophobicContact CB-CD 3.96Å; D16-K20 HydrophobicContact CB-CG 4.38Å; D16-K20 VanDerWaalsContact CG-NZ 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.45Å; D16-K20 PolarHBondContact O-N 3.46Å; D16-K20 WeakPolarHBondContact OD1-CE 3.33Å; D16-K20 IonicContact OD1-NZ 3.58Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 2.99Å |
| 17 | V | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -34.5 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | S13 A14 Y195 E203 A205 A222 K224 | S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 2.9Å; A14-V17 PolarHBondContact O-N 3.26Å; A14-V17 VanDerWaalsContact O-N 3.15Å; V17-Y195 HydrophobicContact CG2-CD2 4Å; V17-Y195 HydrophobicContact CG2-CE2 3.82Å; V17-E203 HydrophobicContact CG2-CB 4.28Å; V17-A205 HydrophobicContact CB-CB 3.79Å; V17-A205 HydrophobicContact CG1-CB 3.97Å; V17-A205 HydrophobicContact CG2-CB 4.24Å; V17-A222 HydrophobicContact CG1-CB 3.77Å; V17-K224 HydrophobicContact CG1-CB 4.3Å |
| 18 | F | 97.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.5 | -17.7 | 177 | -82.1 | -85.1 | 0 | 0 | 0 | 114.7 | A14 R15 D16 Y22 A205 N207 G220 A222 K236 | A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 2.6Å; R15-F18 PolarHBondContact O-N 2.84Å; R15-F18 VanDerWaalsContact O-N 3.15Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.81Å; F18-Y22 WeakPolarHBondContact O-CD2 3.34Å; F18-A205 HydrophobicContact CD2-CB 3.95Å; F18-A205 HydrophobicContact CE2-CB 3.59Å; F18-N207 HydrophobicContact CD2-CB 4.43Å; F18-N207 HydrophobicContact CE2-CB 3.81Å; F18-N207 HydrophobicContact CZ-CB 3.93Å; F18-G220 WeakPolarHBondContact CZ-O 3.15Å; F18-A222 HydrophobicContact CD1-CB 3.65Å; F18-A222 HydrophobicContact CD2-CB 3.94Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.84Å; F18-A222 HydrophobicContact CZ-CB 3.61Å; F18-K236 HydrophobicContact CD1-CB 4.36Å; F18-K236 HydrophobicContact CD1-CD 4.09Å; F18-K236 HydrophobicContact CE1-CB 4.45Å; F18-K236 PolarHBondContact O-NZ 3.12Å |
| 19 | T | 96 | Very high | 95.7 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -119.8 | -40.1 | -167.1 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | R15 D16 | R15-T19 HydrophobicContact CG-CG2 4.35Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 VanDerWaalsContact O-CG2 3.3Å; R15-T19 WeakPolarHBondContact O-CG2 3.33Å; R15-T19 PolarHBondContact O-N 3.22Å; R15-T19 PolarHBondContact O-OG1 3.4Å; D16-T19 PolarHBondContact O-N 3.03Å |
| 20 | K | 95.7 | Very high | 95.7 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 141.1 | -179.4 | -66.2 | -179.1 | 174.8 | 167.9 | 0 | 110.9 | D16 Y22 | D16-K20 HydrophobicContact CB-CD 3.96Å; D16-K20 HydrophobicContact CB-CG 4.38Å; D16-K20 VanDerWaalsContact CG-NZ 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.45Å; D16-K20 PolarHBondContact O-N 3.46Å; D16-K20 WeakPolarHBondContact OD1-CE 3.33Å; D16-K20 IonicContact OD1-NZ 3.58Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 2.99Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.45Å |
| 21 | G | 93.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 22 | Y | 95.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | trans | -123.8 | 134.2 | 176.6 | -54.4 | -70.7 | 0 | 0 | 0 | 111 | F18 K20 F24 S234 A235 K236 | F18-Y22 WeakPolarHBondContact O-CD2 3.34Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.45Å; Y22-F24 AromaticContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE2 4.17Å; Y22-F24 AromaticContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CE1-CZ 4.04Å; Y22-F24 HydrophobicContact CG-CE1 4.34Å; Y22-F24 HydrophobicContact CG-CE2 4.2Å; Y22-F24 AromaticContact CG-CZ 3.76Å; Y22-F24 HydrophobicContact CG-CZ 3.76Å; Y22-S234 VanDerWaalsContact OH-CB 3.26Å; Y22-S234 WeakPolarHBondContact OH-CB 3.44Å; Y22-S234 PolarHBondContact OH-O 3.49Å; Y22-A235 WeakPolarHBondContact OH-CA 3.44Å; Y22-A235 PolarHBondContact OH-N 2.98Å; Y22-A235 VanDerWaalsContact OH-N 3.12Å; Y22-A235 PolarHBondContact OH-O 3.07Å; Y22-K236 HydrophobicContact CD2-CD 4.43Å; Y22-K236 HydrophobicContact CE1-CG 4.38Å; Y22-K236 HydrophobicContact CE2-CD 3.94Å; Y22-K236 HydrophobicContact CE2-CG 4.43Å; Y22-K236 PolarHBondContact OH-N 3.43Å | ||
| 23 | G | 93.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | trans | -142.6 | 45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | G25 L26 S260 G276 | G23-G25 PolarHBondContact O-N 2.7Å; G23-L26 PolarHBondContact O-N 2.7Å; G23-S260 PolarHBondContact N-OG 3.34Å; G23-G276 WeakPolarHBondContact O-CA 3.4Å | ||
| 24 | F | 95.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129.9 | -169.8 | -52.2 | -49.5 | 0 | 0 | 0 | 113.1 | Y22 L26 A261 L262 K274 | Y22-F24 AromaticContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE2 4.17Å; Y22-F24 AromaticContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CE1-CZ 4.04Å; Y22-F24 HydrophobicContact CG-CE1 4.34Å; Y22-F24 HydrophobicContact CG-CE2 4.2Å; Y22-F24 AromaticContact CG-CZ 3.76Å; Y22-F24 HydrophobicContact CG-CZ 3.76Å; F24-L26 PolarHBondContact O-N 3.04Å; F24-A261 VanDerWaalsContact CE1-O 3.25Å; F24-A261 WeakPolarHBondContact CE1-O 3.37Å; F24-L262 HydrophobicContact CB-CB 4.17Å; F24-L262 HydrophobicContact CD1-CB 3.72Å; F24-L262 HydrophobicContact CD2-CB 3.94Å; F24-L262 HydrophobicContact CD2-CD1 4.26Å; F24-L262 HydrophobicContact CD2-CD2 4.14Å; F24-L262 HydrophobicContact CD2-CG 4.35Å; F24-L262 HydrophobicContact CE1-CB 3.99Å; F24-L262 HydrophobicContact CE2-CB 4.18Å; F24-L262 HydrophobicContact CE2-CD1 3.89Å; F24-L262 HydrophobicContact CE2-CG 4.45Å; F24-L262 HydrophobicContact CG-CB 3.69Å; F24-L262 HydrophobicContact CG-CD2 4.49Å; F24-L262 HydrophobicContact CZ-CB 4.21Å; F24-L262 HydrophobicContact CZ-CD1 4.16Å; F24-K274 HydrophobicContact CB-CB 4.08Å |
| 25 | G | 95 | Very high | 94.9 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G23 T49 L275 | G23-G25 PolarHBondContact O-N 2.7Å; G25-T49 WeakPolarHBondContact CA-OG1 3.28Å; G25-T49 PolarHBondContact O-N 2.84Å; G25-T49 PolarHBondContact O-OG1 2.87Å; G25-L275 WeakPolarHBondContact CA-O 3.45Å; G25-L275 PolarHBondContact N-O 3.22Å |
| 26 | L | 95.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.8 | -177.4 | -62.9 | 173.2 | 0 | 0 | 0 | 110.8 | G23 F24 G47 N48 G276 V277 | G23-L26 PolarHBondContact O-N 2.7Å; F24-L26 PolarHBondContact O-N 3.04Å; L26-G47 CarbonylContact C-O 3.59Å; L26-G47 WeakPolarHBondContact CA-O 3.26Å; L26-N48 HydrophobicContact CD2-CB 4Å; L26-G276 CarbonylContact O-C 3.46Å; L26-G276 VanDerWaalsContact O-CA 3.25Å; L26-G276 WeakPolarHBondContact O-CA 3.37Å; L26-V277 PolarHBondContact O-N 2.93Å |
| 27 | I | 96.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 64 Ų | 64 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 109.7 | 160.8 | -59.6 | 173.8 | 0 | 0 | 0 | 106.2 | S46 G47 T49 V277 | I27-S46 CarbonylContact O-C 3.54Å; I27-S46 VanDerWaalsContact O-CA 3.29Å; I27-S46 WeakPolarHBondContact O-CA 3.45Å; I27-G47 PolarHBondContact N-O 2.91Å; I27-G47 PolarHBondContact O-N 2.88Å; I27-T49 HydrophobicContact CD1-CG2 4.15Å; I27-T49 HydrophobicContact CG1-CG2 3.93Å; I27-V277 CarbonylContact C-O 3.53Å; I27-V277 WeakPolarHBondContact CA-O 3.28Å |
| 28 | K | 96.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134 | -174 | -164.8 | -174.4 | -171.5 | -148 | 0 | 110.8 | D30 T44 C45 V277 G278 L279 | K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 VanDerWaalsContact CE-OD2 3.22Å; K28-D30 WeakPolarHBondContact CE-OD2 3.45Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.87Å; K28-D30 IonicContact NZ-OD2 2.77Å; K28-D30 PolarHBondContact NZ-OD2 2.82Å; K28-T44 HydrophobicContact CG-CG2 4.46Å; K28-C45 CarbonylContact C-O 3.55Å; K28-C45 WeakPolarHBondContact CA-O 3.34Å; K28-V277 PolarHBondContact N-O 3.38Å; K28-G278 CarbonylContact O-C 3.49Å; K28-G278 WeakPolarHBondContact O-CA 3.44Å; K28-L279 PolarHBondContact O-N 3.05Å |
| 29 | L | 96.7 | Very high | 92.4 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.2 | 171 | 179.8 | 65.6 | 0 | 0 | 0 | 108.5 | L31 T44 C45 L279 F281 | L29-L31 HydrophobicContact CD1-CD2 4.39Å; L29-T44 CarbonylContact O-C 3.54Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; L29-C45 PolarHBondContact N-O 2.89Å; L29-C45 PolarHBondContact O-N 2.75Å; L29-L279 CarbonylContact C-O 3.55Å; L29-L279 WeakPolarHBondContact CA-O 3.41Å; L29-L279 HydrophobicContact CD1-CB 3.86Å; L29-F281 HydrophobicContact CD1-CD2 3.73Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å |
| 30 | D | 95.9 | Very high | 92.3 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.4 | 174.8 | -70.6 | -39.8 | 0 | 0 | 0 | 109 | K28 T44 L279 E280 F281 | K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 VanDerWaalsContact CE-OD2 3.22Å; K28-D30 WeakPolarHBondContact CE-OD2 3.45Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.87Å; K28-D30 IonicContact NZ-OD2 2.77Å; K28-D30 PolarHBondContact NZ-OD2 2.82Å; D30-T44 VanDerWaalsContact OD1-CB 3.32Å; D30-T44 WeakPolarHBondContact OD1-CB 3.46Å; D30-T44 WeakPolarHBondContact OD1-CG2 3.4Å; D30-T44 PolarHBondContact OD1-OG1 2.77Å; D30-L279 PolarHBondContact N-O 3.46Å; D30-E280 HydrophobicContact CB-CB 4.35Å; D30-E280 HydrophobicContact CB-CG 4.26Å; D30-E280 CarbonylContact O-C 3.58Å; D30-E280 WeakPolarHBondContact O-CA 3.3Å; D30-F281 PolarHBondContact O-N 3.28Å |
| 31 | L | 95.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.7 | 173 | -58.3 | 174.5 | 0 | 0 | 0 | 108 | L29 T42 S43 F281 | L29-L31 HydrophobicContact CD1-CD2 4.39Å; L31-T42 CarbonylContact O-C 3.55Å; L31-T42 WeakPolarHBondContact O-CA 3.48Å; L31-S43 PolarHBondContact N-O 3.41Å; L31-S43 PolarHBondContact O-N 2.81Å; L31-F281 HydrophobicContact CD2-CB 3.63Å; L31-F281 HydrophobicContact CD2-CD2 3.54Å; L31-F281 HydrophobicContact CD2-CE2 4.45Å; L31-F281 HydrophobicContact CD2-CG 3.77Å |
| 32 | K | 95.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.2 | 177.4 | -65.7 | 176.1 | -175.1 | 166.6 | 0 | 108.7 | F41 T42 E280 F281 Q282 A283 | K32-F41 WeakPolarHBondContact CA-O 3.41Å; K32-T42 HydrophobicContact CG-CG2 4.06Å; K32-E280 WeakPolarHBondContact CE-OE1 3.39Å; K32-E280 IonicContact NZ-OE1 2.74Å; K32-E280 PolarHBondContact NZ-OE1 3.04Å; K32-F281 PolarHBondContact N-O 3.22Å; K32-Q282 WeakPolarHBondContact O-CA 3.27Å; K32-A283 PolarHBondContact O-N 3.23Å |
| 33 | T | 92.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | 174 | 66.6 | 0 | 0 | 0 | 0 | 109.9 | E40 F41 A283 | T33-E40 CarbonylContact O-C 3.51Å; T33-E40 VanDerWaalsContact O-CA 3.31Å; T33-E40 WeakPolarHBondContact O-CA 3.35Å; T33-F41 PolarHBondContact N-O 2.77Å; T33-F41 PolarHBondContact O-N 3.44Å; T33-F41 WeakPolarHBondContact OG1-CB 3.48Å; T33-A283 CarbonylContact C-O 3.44Å; T33-A283 VanDerWaalsContact CA-O 3.29Å; T33-A283 WeakPolarHBondContact CA-O 3.05Å; T33-A283 HydrophobicContact CG2-CB 4.43Å |
| 34 | K | 90.4 | Very high | 92.4 | Very high | 135 Ų | 135 | 63.1 Ų | 63.1 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124 | 172.5 | -176.3 | 175.1 | -177.7 | -172.2 | 0 | 109.6 | E40 A283 | K34-E40 HydrophobicContact CB-CG 4.23Å; K34-E40 HydrophobicContact CD-CG 4.27Å; K34-E40 HydrophobicContact CG-CG 3.86Å; K34-A283 PolarHBondContact N-O 3.13Å |
| 35 | S | 85.5 | Confident | 92.4 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -98.1 | 157.8 | 173.3 | 51.7 | 0 | 0 | 0 | 0 | 112 | N37 G38 L39 | S35-N37 WeakPolarHBondContact CB-OD1 3.42Å; S35-N37 PolarHBondContact O-N 3.28Å; S35-N37 PolarHBondContact OG-OD1 3.23Å; S35-G38 PolarHBondContact O-N 2.98Å; S35-G38 VanDerWaalsContact O-N 3.09Å; S35-L39 PolarHBondContact N-O 2.85Å; S35-L39 WeakPolarHBondContact OG-CB 3.31Å; S35-L39 PolarHBondContact OG-O 2.79Å | ||
| 36 | D | 82.3 | Confident | 92.4 | Very high | 179 Ų | 179 | 64.9 Ų | 64.9 | 96% | 0.957 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.6 | -176.1 | -61.2 | -33 | 0 | 0 | 0 | 113.4 | G38 | D36-G38 PolarHBondContact O-N 3.13Š|
| 37 | N | 80.8 | Confident | 92.3 | Very high | 104 Ų | 104 | 62.9 Ų | 62.9 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 7.6 | 177.3 | 68.2 | -4.2 | 0 | 0 | 0 | 114.2 | S35 L39 | S35-N37 WeakPolarHBondContact CB-OD1 3.42Å; S35-N37 PolarHBondContact O-N 3.28Å; S35-N37 PolarHBondContact OG-OD1 3.23Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.37Å; N37-L39 PolarHBondContact OD1-N 3.01Å |
| 38 | G | 81.3 | Confident | 92.2 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 83.6 | 9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S35 D36 K63 | S35-G38 PolarHBondContact O-N 2.98Å; S35-G38 VanDerWaalsContact O-N 3.09Å; D36-G38 PolarHBondContact O-N 3.13Å; G38-K63 PolarHBondContact O-N 2.74Å |
| 39 | L | 90 | Very high | 91.9 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129 | 173.1 | -163.4 | 76.9 | 0 | 0 | 0 | 109.7 | S35 N37 F41 T60 K61 Y62 | S35-L39 PolarHBondContact N-O 2.85Å; S35-L39 WeakPolarHBondContact OG-CB 3.31Å; S35-L39 PolarHBondContact OG-O 2.79Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.37Å; N37-L39 PolarHBondContact OD1-N 3.01Å; L39-F41 HydrophobicContact CD2-CD2 4.31Å; L39-F41 HydrophobicContact CD2-CE1 4.38Å; L39-F41 HydrophobicContact CD2-CE2 3.29Å; L39-F41 HydrophobicContact CD2-CZ 3.34Å; L39-F41 HydrophobicContact CG-CD2 4.46Å; L39-F41 HydrophobicContact CG-CE2 3.85Å; L39-F41 HydrophobicContact CG-CZ 4Å; L39-T60 HydrophobicContact CD1-CG2 3.75Å; L39-T60 HydrophobicContact CG-CG2 4.31Å; L39-K61 CarbonylContact C-O 3.6Å; L39-K61 WeakPolarHBondContact CA-O 3.33Å; L39-Y62 HydrophobicContact CB-CD2 4.41Å; L39-Y62 HydrophobicContact CD1-CD2 3.87Å; L39-Y62 HydrophobicContact CD1-CG 4.36Å |
| 40 | E | 93.7 | Very high | 91.5 | Very high | 35 Ų | 35 | 62 Ų | 62 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125 | 177.7 | -71.1 | 170.8 | -170.7 | 0 | 0 | 108 | T33 K34 T60 K61 K63 | T33-E40 CarbonylContact O-C 3.51Å; T33-E40 VanDerWaalsContact O-CA 3.31Å; T33-E40 WeakPolarHBondContact O-CA 3.35Å; K34-E40 HydrophobicContact CB-CG 4.23Å; K34-E40 HydrophobicContact CD-CG 4.27Å; K34-E40 HydrophobicContact CG-CG 3.86Å; E40-T60 CarbonylContact O-C 3.58Å; E40-T60 WeakPolarHBondContact O-CA 3.5Å; E40-K61 HydrophobicContact CB-CB 4.23Å; E40-K61 PolarHBondContact N-O 3.03Å; E40-K61 PolarHBondContact O-N 2.89Å; E40-K63 VanDerWaalsContact CD-NZ 3.26Å; E40-K63 IonicContact OE1-NZ 2.74Å; E40-K63 PolarHBondContact OE1-NZ 2.69Å; E40-K63 IonicContact OE2-NZ 3.01Å; E40-K63 PolarHBondContact OE2-NZ 2.84Å |
| 41 | F | 94.2 | Very high | 91.3 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.2 | 170.3 | -63.3 | -84.5 | 0 | 0 | 0 | 109.9 | K32 T33 L39 E59 T60 | K32-F41 WeakPolarHBondContact CA-O 3.41Å; T33-F41 PolarHBondContact N-O 2.77Å; T33-F41 PolarHBondContact O-N 3.44Å; T33-F41 WeakPolarHBondContact OG1-CB 3.48Å; L39-F41 HydrophobicContact CD2-CD2 4.31Å; L39-F41 HydrophobicContact CD2-CE1 4.38Å; L39-F41 HydrophobicContact CD2-CE2 3.29Å; L39-F41 HydrophobicContact CD2-CZ 3.34Å; L39-F41 HydrophobicContact CG-CD2 4.46Å; L39-F41 HydrophobicContact CG-CE2 3.85Å; L39-F41 HydrophobicContact CG-CZ 4Å; F41-E59 CarbonylContact C-O 3.57Å; F41-E59 WeakPolarHBondContact CA-O 3.33Å; F41-T60 HydrophobicContact CD1-CG2 3.92Å; F41-T60 WeakPolarHBondContact CD1-OG1 3.47Å; F41-T60 HydrophobicContact CE1-CG2 3.55Å; F41-T60 WeakPolarHBondContact CE1-OG1 3.41Å; F41-T60 HydrophobicContact CZ-CG2 4.23Å |
| 42 | T | 95.5 | Very high | 91 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 110.5 | 169.7 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | L31 K32 E59 | L31-T42 CarbonylContact O-C 3.55Å; L31-T42 WeakPolarHBondContact O-CA 3.48Å; K32-T42 HydrophobicContact CG-CG2 4.06Å; T42-E59 PolarHBondContact N-O 2.76Å; T42-E59 PolarHBondContact O-N 2.91Å |
| 43 | S | 95.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.9 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | L31 S57 L58 | L31-S43 PolarHBondContact N-O 3.41Å; L31-S43 PolarHBondContact O-N 2.81Å; S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.36Å; S43-L58 VanDerWaalsContact OG-CD1 3.25Å; S43-L58 WeakPolarHBondContact OG-CD1 3.33Å |
| 44 | T | 95.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 71.9 Ų | 71.9 | 17% | 0.172 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.7 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | K28 L29 D30 G56 S57 | K28-T44 HydrophobicContact CG-CG2 4.46Å; L29-T44 CarbonylContact O-C 3.54Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; D30-T44 VanDerWaalsContact OD1-CB 3.32Å; D30-T44 WeakPolarHBondContact OD1-CB 3.46Å; D30-T44 WeakPolarHBondContact OD1-CG2 3.4Å; D30-T44 PolarHBondContact OD1-OG1 2.77Å; T44-G56 CarbonylContact O-C 3.49Å; T44-G56 VanDerWaalsContact O-CA 3.27Å; T44-G56 WeakPolarHBondContact O-CA 3.46Å; T44-S57 PolarHBondContact N-O 2.76Å; T44-S57 PolarHBondContact O-N 2.93Å |
| 45 | C | 95.2 | Very high | 90.9 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 37% | 0.365 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.9 | 168.2 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | K28 L29 A55 | K28-C45 CarbonylContact C-O 3.55Å; K28-C45 WeakPolarHBondContact CA-O 3.34Å; L29-C45 PolarHBondContact N-O 2.89Å; L29-C45 PolarHBondContact O-N 2.75Å; C45-A55 CarbonylContact C-O 3.55Å; C45-A55 WeakPolarHBondContact CA-O 3.34Å |
| 46 | S | 94.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.7 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 111 | I27 V54 A55 | I27-S46 CarbonylContact O-C 3.54Å; I27-S46 VanDerWaalsContact O-CA 3.29Å; I27-S46 WeakPolarHBondContact O-CA 3.45Å; S46-V54 WeakPolarHBondContact O-CA 3.48Å; S46-A55 PolarHBondContact N-O 3.35Å; S46-A55 PolarHBondContact O-N 2.91Å |
| 47 | G | 94.9 | Very high | 92 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L26 I27 K53 | L26-G47 CarbonylContact C-O 3.59Å; L26-G47 WeakPolarHBondContact CA-O 3.26Å; I27-G47 PolarHBondContact N-O 2.91Å; I27-G47 PolarHBondContact O-N 2.88Å; G47-K53 WeakPolarHBondContact CA-O 3.4Å |
| 48 | N | 93.3 | Very high | 92.7 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.7 | 173.7 | -179.5 | -61.7 | 0 | 0 | 0 | 110 | L26 E50 T51 S52 K53 | L26-N48 HydrophobicContact CD2-CB 4Å; N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact O-N 2.97Å; N48-E50 PolarHBondContact OD1-N 2.9Å; N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact OD1-N 2.79Å; N48-T51 PolarHBondContact OD1-OG1 2.74Å; N48-S52 VanDerWaalsContact O-CA 3.29Å; N48-S52 WeakPolarHBondContact O-CA 3.5Å; N48-S52 PolarHBondContact O-N 2.81Å; N48-K53 PolarHBondContact N-O 2.81Å |
| 49 | T | 89.9 | Confident | 93.4 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.5 | -172.2 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | G25 I27 | G25-T49 WeakPolarHBondContact CA-OG1 3.28Å; G25-T49 PolarHBondContact O-N 2.84Å; G25-T49 PolarHBondContact O-OG1 2.87Å; I27-T49 HydrophobicContact CD1-CG2 4.15Å; I27-T49 HydrophobicContact CG1-CG2 3.93Å |
| 50 | E | 89.2 | Confident | 93.7 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -39 | 179.7 | -66.6 | 175.3 | 173.7 | 0 | 0 | 111.8 | N48 K274 | N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact O-N 2.97Å; N48-E50 PolarHBondContact OD1-N 2.9Å; E50-K274 VanDerWaalsContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CE 3.5Å; E50-K274 IonicContact OE1-NZ 3.85Å; E50-K274 PolarHBondContact OE1-NZ 3.36Å; E50-K274 IonicContact OE2-NZ 3.2Å; E50-K274 PolarHBondContact OE2-NZ 2.88Å |
| 51 | T | 91.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -8.7 | -174.6 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | N48 K53 | N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact OD1-N 2.79Å; N48-T51 PolarHBondContact OD1-OG1 2.74Å; T51-K53 PolarHBondContact O-N 2.77Å; T51-K53 PolarHBondContact OG1-N 3.32Å |
| 52 | S | 89.3 | Confident | 93.7 | Very high | 105 Ų | 105 | 60.7 Ų | 60.7 | 73% | 0.734 | 35% | 0.353 | S | S | * | . | trans | 56.4 | 14.4 | -172.5 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | N48 | N48-S52 VanDerWaalsContact O-CA 3.29Å; N48-S52 WeakPolarHBondContact O-CA 3.5Å; N48-S52 PolarHBondContact O-N 2.81Å | ||
| 53 | K | 91.3 | Very high | 93.4 | Very high | 157 Ų | 157 | 63.2 Ų | 63.2 | 68% | 0.683 | 36% | 0.361 | S | S | * | . | trans | -78.3 | 136.7 | 176 | -68.7 | -174.1 | 177.8 | -175.5 | 0 | 110 | G47 N48 T51 | G47-K53 WeakPolarHBondContact CA-O 3.4Å; N48-K53 PolarHBondContact N-O 2.81Å; T51-K53 PolarHBondContact O-N 2.77Å; T51-K53 PolarHBondContact OG1-N 3.32Å | ||
| 54 | V | 93.1 | Very high | 93 | Very high | 100 Ų | 100 | 66 Ų | 66 | 61% | 0.606 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.7 | 175.4 | -178 | 0 | 0 | 0 | 0 | 108.4 | S46 | S46-V54 WeakPolarHBondContact O-CA 3.48Å |
| 55 | A | 93.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | C45 S46 | C45-A55 CarbonylContact C-O 3.55Å; C45-A55 WeakPolarHBondContact CA-O 3.34Å; S46-A55 PolarHBondContact N-O 3.35Å; S46-A55 PolarHBondContact O-N 2.91Å |
| 56 | G | 95.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 75 Ų | 75 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T44 N76 T77 | T44-G56 CarbonylContact O-C 3.49Å; T44-G56 VanDerWaalsContact O-CA 3.27Å; T44-G56 WeakPolarHBondContact O-CA 3.46Å; G56-N76 CarbonylContact O-C 3.54Å; G56-N76 VanDerWaalsContact O-CA 3.28Å; G56-N76 WeakPolarHBondContact O-CA 3.36Å; G56-N76 WeakPolarHBondContact O-CB 3.33Å; G56-T77 PolarHBondContact N-OG1 3.26Å; G56-T77 VanDerWaalsContact N-OG1 3.1Å; G56-T77 PolarHBondContact O-N 3.06Å; G56-T77 PolarHBondContact O-OG1 2.66Å |
| 57 | S | 95 | Very high | 91 | Very high | 54 Ų | 54 | 80.8 Ų | 80.8 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.6 | 171.8 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | S43 T44 W75 | S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.36Å; T44-S57 PolarHBondContact N-O 2.76Å; T44-S57 PolarHBondContact O-N 2.93Å; S57-W75 CarbonylContact C-O 3.6Å; S57-W75 VanDerWaalsContact CA-O 3.29Å; S57-W75 WeakPolarHBondContact CA-O 3.32Å |
| 58 | L | 95.6 | Very high | 90.6 | Very high | 61 Ų | 61 | 80.9 Ų | 80.9 | 32% | 0.319 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125 | 169.9 | 177.8 | 65.3 | 0 | 0 | 0 | 108.3 | S43 K74 W75 | S43-L58 VanDerWaalsContact OG-CD1 3.25Å; S43-L58 WeakPolarHBondContact OG-CD1 3.33Å; L58-K74 CarbonylContact O-C 3.53Å; L58-K74 WeakPolarHBondContact O-CA 3.46Å; L58-W75 PolarHBondContact N-O 2.84Å; L58-W75 PolarHBondContact O-N 2.71Å |
| 59 | E | 96.4 | Very high | 90.5 | Very high | 47 Ų | 47 | 80.4 Ų | 80.4 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.3 | 170.4 | -179.4 | 176.3 | 131.6 | 0 | 0 | 108.6 | F41 T42 K61 T72 E73 K74 | F41-E59 CarbonylContact C-O 3.57Å; F41-E59 WeakPolarHBondContact CA-O 3.33Å; T42-E59 PolarHBondContact N-O 2.76Å; T42-E59 PolarHBondContact O-N 2.91Å; E59-K61 IonicContact OE1-NZ 2.7Å; E59-K61 PolarHBondContact OE1-NZ 2.94Å; E59-T72 HydrophobicContact CG-CG2 3.53Å; E59-E73 CarbonylContact C-O 3.55Å; E59-E73 WeakPolarHBondContact CA-O 3.33Å; E59-K74 HydrophobicContact CB-CG 4.32Å; E59-K74 HydrophobicContact CG-CG 4.02Å; E59-K74 WeakPolarHBondContact OE2-CE 3.26Å; E59-K74 IonicContact OE2-NZ 2.83Å |
| 60 | T | 95.4 | Very high | 90.7 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.3 | 171 | -56.1 | 0 | 0 | 0 | 0 | 108 | L39 E40 F41 T72 E73 | L39-T60 HydrophobicContact CD1-CG2 3.75Å; L39-T60 HydrophobicContact CG-CG2 4.31Å; E40-T60 CarbonylContact O-C 3.58Å; E40-T60 WeakPolarHBondContact O-CA 3.5Å; F41-T60 HydrophobicContact CD1-CG2 3.92Å; F41-T60 WeakPolarHBondContact CD1-OG1 3.47Å; F41-T60 HydrophobicContact CE1-CG2 3.55Å; F41-T60 WeakPolarHBondContact CE1-OG1 3.41Å; F41-T60 HydrophobicContact CZ-CG2 4.23Å; T60-T72 CarbonylContact O-C 3.54Å; T60-T72 VanDerWaalsContact O-CA 3.26Å; T60-T72 WeakPolarHBondContact O-CA 3.41Å; T60-E73 PolarHBondContact N-O 2.8Å; T60-E73 PolarHBondContact O-N 2.83Å |
| 61 | K | 95.3 | Very high | 90.9 | Very high | 46 Ų | 46 | 76.4 Ų | 76.4 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.7 | 178.8 | -180 | 176.1 | -64.1 | 119.1 | 0 | 109.6 | L39 E40 E59 K63 T70 F71 T72 | L39-K61 CarbonylContact C-O 3.6Å; L39-K61 WeakPolarHBondContact CA-O 3.33Å; E40-K61 HydrophobicContact CB-CB 4.23Å; E40-K61 PolarHBondContact N-O 3.03Å; E40-K61 PolarHBondContact O-N 2.89Å; E59-K61 IonicContact OE1-NZ 2.7Å; E59-K61 PolarHBondContact OE1-NZ 2.94Å; K61-K63 HydrophobicContact CD-CG 4.49Å; K61-K63 HydrophobicContact CG-CG 4.33Å; K61-T70 HydrophobicContact CD-CG2 3.99Å; K61-T70 HydrophobicContact CG-CG2 3.71Å; K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.35Å; K61-T72 HydrophobicContact CB-CG2 4.39Å; K61-T72 WeakPolarHBondContact CE-OG1 3.49Å |
| 62 | Y | 93.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.7 | 175 | -177 | -107.9 | 0 | 0 | 0 | 109.5 | L39 W64 T70 F71 | L39-Y62 HydrophobicContact CB-CD2 4.41Å; L39-Y62 HydrophobicContact CD1-CD2 3.87Å; L39-Y62 HydrophobicContact CD1-CG 4.36Å; Y62-W64 HydrophobicContact CE1-CB 4.17Å; Y62-W64 HydrophobicContact CE1-CD2 4.22Å; Y62-W64 HydrophobicContact CE1-CG 4.11Å; Y62-T70 WeakPolarHBondContact O-CA 3.22Å; Y62-F71 HydrophobicContact CD1-CD2 4.25Å; Y62-F71 PolarHBondContact N-O 3.35Å; Y62-F71 PolarHBondContact O-N 2.75Å |
| 63 | K | 89.4 | Confident | 91.5 | Very high | 88 Ų | 88 | 71.9 Ų | 71.9 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.9 | 179.5 | -69.8 | 175.3 | -173.6 | 156.7 | 0 | 110.2 | G38 E40 K61 A65 T70 | G38-K63 PolarHBondContact O-N 2.74Å; E40-K63 VanDerWaalsContact CD-NZ 3.26Å; E40-K63 IonicContact OE1-NZ 2.74Å; E40-K63 PolarHBondContact OE1-NZ 2.69Å; E40-K63 IonicContact OE2-NZ 3.01Å; E40-K63 PolarHBondContact OE2-NZ 2.84Å; K61-K63 HydrophobicContact CD-CG 4.49Å; K61-K63 HydrophobicContact CG-CG 4.33Å; K63-A65 PolarHBondContact O-N 2.77Å; K63-T70 HydrophobicContact CG-CG2 3.99Å |
| 64 | W | 86.8 | Confident | 91.7 | Very high | 106 Ų | 106 | 68.6 Ų | 68.6 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 77.3 | 173.4 | -143.7 | -5.2 | 0 | 0 | 0 | 109.6 | Y62 E66 R67 G68 L69 F71 | Y62-W64 HydrophobicContact CE1-CB 4.17Å; Y62-W64 HydrophobicContact CE1-CD2 4.22Å; Y62-W64 HydrophobicContact CE1-CG 4.11Å; W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact O-N 2.79Å; W64-R67 PolarHBondContact O-N 2.92Å; W64-R67 VanDerWaalsContact O-N 3.12Å; W64-G68 PolarHBondContact O-N 2.7Å; W64-L69 CarbonylContact C-O 3.59Å; W64-L69 WeakPolarHBondContact CA-O 3.34Å; W64-L69 HydrophobicContact CB-CB 4.22Å; W64-L69 PolarHBondContact N-O 2.76Å; W64-L69 PolarHBondContact O-N 2.86Å; W64-F71 HydrophobicContact CE3-CE2 4.17Å |
| 65 | A | 80.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 70 Ų | 70 | 76% | 0.76 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.9 | -37.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K63 R67 G68 | K63-A65 PolarHBondContact O-N 2.77Å; A65-R67 PolarHBondContact O-N 2.79Å; A65-R67 VanDerWaalsContact O-N 3.12Å; A65-G68 PolarHBondContact O-N 2.84Å; A65-G68 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 81.9 | Confident | 91.8 | Very high | 178 Ų | 178 | 70.1 Ų | 70.1 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -58.3 | -27 | 179.6 | -64.7 | -177.4 | 174.9 | 0 | 0 | 113.6 | W64 | W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact O-N 2.79Å |
| 67 | R | 81.7 | Confident | 91.7 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -112.8 | 7.8 | -179.1 | -63.6 | -171.7 | 175.9 | -151 | -0.4 | 113.3 | W64 A65 L69 Q90 | W64-R67 PolarHBondContact O-N 2.92Å; W64-R67 VanDerWaalsContact O-N 3.12Å; A65-R67 PolarHBondContact O-N 2.79Å; A65-R67 VanDerWaalsContact O-N 3.12Å; R67-L69 HydrophobicContact CB-CD1 4.01Å; R67-L69 HydrophobicContact CB-CG 4.09Å; R67-L69 PolarHBondContact O-N 2.84Å; R67-L69 VanDerWaalsContact O-N 3.13Å; R67-Q90 VanDerWaalsContact O-CG 3.28Å; R67-Q90 WeakPolarHBondContact O-CG 3.2Å; R67-Q90 PolarHBondContact O-NE2 3.27Å; R67-Q90 VanDerWaalsContact O-NE2 3.13Å |
| 68 | G | 85.3 | Confident | 91.4 | Very high | 20 Ų | 20 | 75.8 Ų | 75.8 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W64 A65 V87 E88 | W64-G68 PolarHBondContact O-N 2.7Å; A65-G68 PolarHBondContact O-N 2.84Å; A65-G68 VanDerWaalsContact O-N 3.13Å; G68-V87 WeakPolarHBondContact O-CA 3.49Å; G68-E88 PolarHBondContact O-N 2.7Å |
| 69 | L | 91.3 | Very high | 91.1 | Very high | 36 Ų | 36 | 75.9 Ų | 75.9 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.6 | -177 | -69.3 | 173.8 | 0 | 0 | 0 | 110.7 | W64 R67 F71 T86 V87 | W64-L69 CarbonylContact C-O 3.59Å; W64-L69 WeakPolarHBondContact CA-O 3.34Å; W64-L69 HydrophobicContact CB-CB 4.22Å; W64-L69 PolarHBondContact N-O 2.76Å; W64-L69 PolarHBondContact O-N 2.86Å; R67-L69 HydrophobicContact CB-CD1 4.01Å; R67-L69 HydrophobicContact CB-CG 4.09Å; R67-L69 PolarHBondContact O-N 2.84Å; R67-L69 VanDerWaalsContact O-N 3.13Å; L69-F71 HydrophobicContact CB-CE2 3.99Å; L69-F71 HydrophobicContact CD1-CE2 4.36Å; L69-F71 HydrophobicContact CD1-CZ 4.35Å; L69-T86 CarbonylContact C-O 3.59Å; L69-T86 WeakPolarHBondContact CA-O 3.3Å; L69-V87 HydrophobicContact CD2-CB 4.04Å; L69-V87 HydrophobicContact CD2-CG1 3.92Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å |
| 70 | T | 93.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125 | 170 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | K61 Y62 K63 T86 | K61-T70 HydrophobicContact CD-CG2 3.99Å; K61-T70 HydrophobicContact CG-CG2 3.71Å; Y62-T70 WeakPolarHBondContact O-CA 3.22Å; K63-T70 HydrophobicContact CG-CG2 3.99Å; T70-T86 PolarHBondContact N-O 2.8Å; T70-T86 PolarHBondContact O-N 2.82Å |
| 71 | F | 94.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 77.4 Ų | 77.4 | 31% | 0.307 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.1 | 173.5 | -61.4 | -90.7 | 0 | 0 | 0 | 108.1 | K61 Y62 W64 L69 E84 I85 | K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.35Å; Y62-F71 HydrophobicContact CD1-CD2 4.25Å; Y62-F71 PolarHBondContact N-O 3.35Å; Y62-F71 PolarHBondContact O-N 2.75Å; W64-F71 HydrophobicContact CE3-CE2 4.17Å; L69-F71 HydrophobicContact CB-CE2 3.99Å; L69-F71 HydrophobicContact CD1-CE2 4.36Å; L69-F71 HydrophobicContact CD1-CZ 4.35Å; F71-E84 CarbonylContact C-O 3.54Å; F71-E84 WeakPolarHBondContact CA-O 3.43Å; F71-I85 HydrophobicContact CD1-CB 4.5Å; F71-I85 HydrophobicContact CD1-CD1 4.35Å; F71-I85 HydrophobicContact CD1-CG1 3.89Å; F71-I85 HydrophobicContact CD1-CG2 4.16Å; F71-I85 HydrophobicContact CE1-CD1 4.15Å; F71-I85 HydrophobicContact CE1-CG1 4.07Å; F71-I85 HydrophobicContact CE1-CG2 3.81Å; F71-I85 HydrophobicContact CZ-CG2 4.4Å |
| 72 | T | 96 | Very high | 90.8 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.5 | 175.8 | -52.2 | 0 | 0 | 0 | 0 | 109.4 | E59 T60 K61 K74 T83 E84 | E59-T72 HydrophobicContact CG-CG2 3.53Å; T60-T72 CarbonylContact O-C 3.54Å; T60-T72 VanDerWaalsContact O-CA 3.26Å; T60-T72 WeakPolarHBondContact O-CA 3.41Å; K61-T72 HydrophobicContact CB-CG2 4.39Å; K61-T72 WeakPolarHBondContact CE-OG1 3.49Å; T72-K74 HydrophobicContact CG2-CG 4.25Å; T72-T83 CarbonylContact O-C 3.57Å; T72-E84 PolarHBondContact N-O 2.82Å; T72-E84 PolarHBondContact O-N 3.03Å |
| 73 | E | 96.5 | Very high | 91 | Very high | 86 Ų | 86 | 73.8 Ų | 73.8 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.1 | 172.8 | -73.7 | -65 | 161.3 | 0 | 0 | 109.3 | E59 T60 G82 T83 | E59-E73 CarbonylContact C-O 3.55Å; E59-E73 WeakPolarHBondContact CA-O 3.33Å; T60-E73 PolarHBondContact N-O 2.8Å; T60-E73 PolarHBondContact O-N 2.83Å; E73-G82 CarbonylContact C-O 3.49Å; E73-G82 WeakPolarHBondContact CA-O 3.43Å; E73-T83 VanDerWaalsContact CD-OG1 3.24Å; E73-T83 WeakPolarHBondContact OE1-CB 3.28Å; E73-T83 WeakPolarHBondContact OE1-CG2 3.18Å; E73-T83 PolarHBondContact OE1-OG1 2.81Å; E73-T83 PolarHBondContact OE2-OG1 3.41Å |
| 74 | K | 95.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.3 | -179.4 | -64.3 | 178.9 | -171.6 | 176.2 | 0 | 109 | L58 E59 T72 L81 G82 | L58-K74 CarbonylContact O-C 3.53Å; L58-K74 WeakPolarHBondContact O-CA 3.46Å; E59-K74 HydrophobicContact CB-CG 4.32Å; E59-K74 HydrophobicContact CG-CG 4.02Å; E59-K74 WeakPolarHBondContact OE2-CE 3.26Å; E59-K74 IonicContact OE2-NZ 2.83Å; T72-K74 HydrophobicContact CG2-CG 4.25Å; K74-L81 CarbonylContact O-C 3.52Å; K74-L81 WeakPolarHBondContact O-CA 3.47Å; K74-G82 PolarHBondContact N-O 2.91Å; K74-G82 PolarHBondContact O-N 2.77Å |
| 75 | W | 94.7 | Very high | 91.7 | Very high | 128 Ų | 128 | 69 Ų | 69 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.1 | 172.5 | -176.2 | 47.3 | 0 | 0 | 0 | 109.7 | S57 L58 T80 L81 | S57-W75 CarbonylContact C-O 3.6Å; S57-W75 VanDerWaalsContact CA-O 3.29Å; S57-W75 WeakPolarHBondContact CA-O 3.32Å; L58-W75 PolarHBondContact N-O 2.84Å; L58-W75 PolarHBondContact O-N 2.71Å; W75-T80 WeakPolarHBondContact CA-O 3.34Å; W75-L81 HydrophobicContact CB-CD2 4.07Å; W75-L81 HydrophobicContact CG-CD2 3.87Å |
| 76 | N | 93.2 | Very high | 92.4 | Very high | 49 Ų | 49 | 65 Ų | 65 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 168 | 177.2 | 70.8 | 15.7 | 0 | 0 | 0 | 112.2 | G56 D78 N79 T80 | G56-N76 CarbonylContact O-C 3.54Å; G56-N76 VanDerWaalsContact O-CA 3.28Å; G56-N76 WeakPolarHBondContact O-CA 3.36Å; G56-N76 WeakPolarHBondContact O-CB 3.33Å; N76-D78 PolarHBondContact O-N 2.8Å; N76-D78 PolarHBondContact OD1-N 2.82Å; N76-N79 WeakPolarHBondContact O-CA 3.45Å; N76-N79 PolarHBondContact O-N 2.8Å; N76-N79 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact N-O 3.11Å; N76-T80 WeakPolarHBondContact OD1-CA 3.33Å; N76-T80 WeakPolarHBondContact OD1-CB 3.25Å; N76-T80 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact OD1-O 2.8Å |
| 77 | T | 92.4 | Very high | 93 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.4 | -179.2 | 47 | 0 | 0 | 0 | 0 | 114.2 | G56 N79 | G56-T77 PolarHBondContact N-OG1 3.26Å; G56-T77 VanDerWaalsContact N-OG1 3.1Å; G56-T77 PolarHBondContact O-N 3.06Å; G56-T77 PolarHBondContact O-OG1 2.66Å; T77-N79 PolarHBondContact O-N 3.27Å |
| 78 | D | 88.9 | Confident | 93.5 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 12.1 | 171.9 | -61.1 | -32.5 | 0 | 0 | 0 | 112.3 | N76 T80 N106 | N76-D78 PolarHBondContact O-N 2.8Å; N76-D78 PolarHBondContact OD1-N 2.82Å; D78-T80 PolarHBondContact O-N 2.84Å; D78-N106 PolarHBondContact O-ND2 2.8Å |
| 79 | N | 90.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | trans | 60.5 | 16.5 | -175.7 | -64.6 | -41 | 0 | 0 | 0 | 115 | N76 T77 L81 P105 | N76-N79 WeakPolarHBondContact O-CA 3.45Å; N76-N79 PolarHBondContact O-N 2.8Å; N76-N79 PolarHBondContact OD1-N 2.79Å; T77-N79 PolarHBondContact O-N 3.27Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-P105 HydrophobicContact CB-CG 4.46Å; N79-P105 WeakPolarHBondContact O-CD 3.26Å | ||
| 80 | T | 91 | Very high | 93.5 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.233 | 31% | 0.307 | C | S | . | . | trans | -75.7 | 124.2 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | W75 N76 D78 F103 S104 | W75-T80 WeakPolarHBondContact CA-O 3.34Å; N76-T80 PolarHBondContact N-O 3.11Å; N76-T80 WeakPolarHBondContact OD1-CA 3.33Å; N76-T80 WeakPolarHBondContact OD1-CB 3.25Å; N76-T80 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact OD1-O 2.8Å; D78-T80 PolarHBondContact O-N 2.84Å; T80-F103 WeakPolarHBondContact CA-O 3.3Å; T80-S104 WeakPolarHBondContact CG2-OG 3.34Å; T80-S104 PolarHBondContact OG1-OG 2.86Å | ||
| 81 | L | 94.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.5 | 174.4 | -65.7 | 167.5 | 0 | 0 | 0 | 109.2 | K74 W75 N79 S102 F103 | K74-L81 CarbonylContact O-C 3.52Å; K74-L81 WeakPolarHBondContact O-CA 3.47Å; W75-L81 HydrophobicContact CB-CD2 4.07Å; W75-L81 HydrophobicContact CG-CD2 3.87Å; N79-L81 PolarHBondContact O-N 2.89Å; L81-S102 CarbonylContact O-C 3.51Å; L81-S102 VanDerWaalsContact O-CA 3.29Å; L81-S102 WeakPolarHBondContact O-CA 3.5Å; L81-F103 PolarHBondContact N-O 2.81Å; L81-F103 PolarHBondContact O-N 2.81Å |
| 82 | G | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 122.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E73 K74 S101 | E73-G82 CarbonylContact C-O 3.49Å; E73-G82 WeakPolarHBondContact CA-O 3.43Å; K74-G82 PolarHBondContact N-O 2.91Å; K74-G82 PolarHBondContact O-N 2.77Å; G82-S101 CarbonylContact C-O 3.6Å; G82-S101 VanDerWaalsContact CA-O 3.27Å; G82-S101 WeakPolarHBondContact CA-O 3.23Å |
| 83 | T | 96.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 74.4 Ų | 74.4 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.9 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 108.7 | T72 E73 I85 D100 S101 | T72-T83 CarbonylContact O-C 3.57Å; E73-T83 VanDerWaalsContact CD-OG1 3.24Å; E73-T83 WeakPolarHBondContact OE1-CB 3.28Å; E73-T83 WeakPolarHBondContact OE1-CG2 3.18Å; E73-T83 PolarHBondContact OE1-OG1 2.81Å; E73-T83 PolarHBondContact OE2-OG1 3.41Å; T83-I85 HydrophobicContact CG2-CG1 4.33Å; T83-D100 CarbonylContact O-C 3.57Å; T83-D100 WeakPolarHBondContact O-CA 3.46Å; T83-S101 PolarHBondContact N-O 2.91Å; T83-S101 PolarHBondContact O-N 3.21Å |
| 84 | E | 96.5 | Very high | 92.2 | Very high | 40 Ų | 40 | 70.5 Ų | 70.5 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.4 | 175.9 | -173.5 | -177.8 | 96.9 | 0 | 0 | 110.1 | F71 T72 T98 F99 D100 K115 | F71-E84 CarbonylContact C-O 3.54Å; F71-E84 WeakPolarHBondContact CA-O 3.43Å; T72-E84 PolarHBondContact N-O 2.82Å; T72-E84 PolarHBondContact O-N 3.03Å; E84-T98 HydrophobicContact CG-CG2 3.38Å; E84-F99 CarbonylContact C-O 3.54Å; E84-F99 WeakPolarHBondContact CA-O 3.33Å; E84-D100 HydrophobicContact CG-CB 4.31Å; E84-K115 IonicContact OE2-NZ 3.69Å |
| 85 | I | 96.1 | Very high | 92.1 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.7 | 175.2 | -53.1 | 176.4 | 0 | 0 | 0 | 107.4 | F71 T83 T98 F99 | F71-I85 HydrophobicContact CD1-CB 4.5Å; F71-I85 HydrophobicContact CD1-CD1 4.35Å; F71-I85 HydrophobicContact CD1-CG1 3.89Å; F71-I85 HydrophobicContact CD1-CG2 4.16Å; F71-I85 HydrophobicContact CE1-CD1 4.15Å; F71-I85 HydrophobicContact CE1-CG1 4.07Å; F71-I85 HydrophobicContact CE1-CG2 3.81Å; F71-I85 HydrophobicContact CZ-CG2 4.4Å; T83-I85 HydrophobicContact CG2-CG1 4.33Å; I85-T98 CarbonylContact O-C 3.5Å; I85-T98 VanDerWaalsContact O-CA 3.3Å; I85-T98 WeakPolarHBondContact O-CA 3.48Å; I85-F99 PolarHBondContact N-O 3.31Å; I85-F99 PolarHBondContact O-N 3.39Å |
| 86 | T | 95.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.049 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.1 | 179.4 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | L69 T70 K96 L97 T98 | L69-T86 CarbonylContact C-O 3.59Å; L69-T86 WeakPolarHBondContact CA-O 3.3Å; T70-T86 PolarHBondContact N-O 2.8Å; T70-T86 PolarHBondContact O-N 2.82Å; T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 VanDerWaalsContact CG2-CE 3.4Å; T86-K96 HydrophobicContact CG2-CG 4.06Å; T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.41Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.37Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å |
| 87 | V | 94.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122 | 172.7 | -164.8 | 0 | 0 | 0 | 0 | 107.9 | G68 L69 Q90 K96 L97 | G68-V87 WeakPolarHBondContact O-CA 3.49Å; L69-V87 HydrophobicContact CD2-CB 4.04Å; L69-V87 HydrophobicContact CD2-CG1 3.92Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å; V87-Q90 HydrophobicContact CG1-CB 3.87Å; V87-Q90 HydrophobicContact CG1-CG 3.56Å; V87-K96 CarbonylContact O-C 3.55Å; V87-K96 WeakPolarHBondContact O-CA 3.12Å; V87-L97 PolarHBondContact N-O 3.42Å; V87-L97 PolarHBondContact O-N 2.9Å |
| 88 | E | 92.1 | Very high | 92.5 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.3 | 179.6 | -167.6 | 164.1 | 178.4 | 0 | 0 | 110.8 | G68 Q90 L95 K96 K119 | G68-E88 PolarHBondContact O-N 2.7Å; E88-Q90 PolarHBondContact O-N 3.45Å; E88-L95 WeakPolarHBondContact CA-O 3.47Å; E88-K96 HydrophobicContact CB-CG 4.48Å; E88-K96 HydrophobicContact CG-CB 4.25Å; E88-K96 HydrophobicContact CG-CG 4.46Å; E88-K119 IonicContact OE1-NZ 2.75Å; E88-K119 PolarHBondContact OE1-NZ 2.82Å |
| 89 | D | 89.4 | Confident | 92.8 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 59 | 16.3 | 172.3 | -61.6 | -32.7 | 0 | 0 | 0 | 116.4 | G94 L95 | D89-G94 WeakPolarHBondContact OD1-CA 3.41Å; D89-G94 PolarHBondContact OD1-N 3.11Å; D89-L95 PolarHBondContact N-O 3.4Å |
| 90 | Q | 85.8 | Confident | 93.1 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -82.5 | -42.9 | -178.3 | -69.8 | -60.2 | -58.3 | 0 | 0 | 114.2 | R67 V87 E88 | R67-Q90 VanDerWaalsContact O-CG 3.28Å; R67-Q90 WeakPolarHBondContact O-CG 3.2Å; R67-Q90 PolarHBondContact O-NE2 3.27Å; R67-Q90 VanDerWaalsContact O-NE2 3.13Å; V87-Q90 HydrophobicContact CG1-CB 3.87Å; V87-Q90 HydrophobicContact CG1-CG 3.56Å; E88-Q90 PolarHBondContact O-N 3.45Å |
| 91 | L | 84.8 | Confident | 93.2 | Very high | 135 Ų | 135 | 60.8 Ų | 60.8 | 71% | 0.707 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -89.7 | -48.3 | -178.7 | -64.1 | 173.1 | 0 | 0 | 0 | 111.4 | L95 L97 | L91-L95 HydrophobicContact CB-CD2 4.03Å; L91-L95 HydrophobicContact CD1-CD2 4.11Å; L91-L97 HydrophobicContact CD1-CD1 4.24Å |
| 92 | V | 90.5 | Very high | 93.2 | Very high | 78 Ų | 78 | 59.3 Ų | 59.3 | 47% | 0.473 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -143 | 138.8 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | G94 L95 Y118 | V92-G94 PolarHBondContact O-N 3.34Å; V92-L95 HydrophobicContact CB-CB 4.36Å; V92-L95 VanDerWaalsContact O-CB 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.77Å; V92-Y118 HydrophobicContact CG1-CE2 4.06Å |
| 93 | K | 89.3 | Confident | 93 | Very high | 188 Ų | 188 | 62.4 Ų | 62.4 | 82% | 0.817 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 129.8 | 174.6 | -175.8 | 178.6 | 179.9 | -177.1 | 0 | 110.1 | ||
| 94 | G | 89.7 | Confident | 92.8 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -7.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D89 V92 Y118 K119 | D89-G94 WeakPolarHBondContact OD1-CA 3.41Å; D89-G94 PolarHBondContact OD1-N 3.11Å; V92-G94 PolarHBondContact O-N 3.34Å; G94-Y118 WeakPolarHBondContact O-CA 3.37Å; G94-K119 WeakPolarHBondContact CA-O 3.26Å; G94-K119 PolarHBondContact O-N 3.19Å |
| 95 | L | 94.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132 | 174.8 | -174.1 | 70.1 | 0 | 0 | 0 | 110.7 | E88 D89 L91 V92 L97 A117 Y118 | E88-L95 WeakPolarHBondContact CA-O 3.47Å; D89-L95 PolarHBondContact N-O 3.4Å; L91-L95 HydrophobicContact CB-CD2 4.03Å; L91-L95 HydrophobicContact CD1-CD2 4.11Å; V92-L95 HydrophobicContact CB-CB 4.36Å; V92-L95 VanDerWaalsContact O-CB 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.77Å; L95-L97 HydrophobicContact CD1-CD2 4.26Å; L95-L97 HydrophobicContact CD2-CD1 4.35Å; L95-L97 HydrophobicContact CD2-CD2 4.43Å; L95-L97 HydrophobicContact CD2-CG 4.28Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.3Å; L95-A117 CarbonylContact C-O 3.49Å; L95-A117 WeakPolarHBondContact CA-O 3.35Å; L95-Y118 HydrophobicContact CB-CD2 4.28Å; L95-Y118 HydrophobicContact CD1-CD2 4.4Å |
| 96 | K | 95.4 | Very high | 92 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.8 | 172.5 | -178.4 | 176.6 | -177.9 | 165 | 0 | 109.6 | T86 V87 E88 A117 | T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 VanDerWaalsContact CG2-CE 3.4Å; T86-K96 HydrophobicContact CG2-CG 4.06Å; V87-K96 CarbonylContact O-C 3.55Å; V87-K96 WeakPolarHBondContact O-CA 3.12Å; E88-K96 HydrophobicContact CB-CG 4.48Å; E88-K96 HydrophobicContact CG-CB 4.25Å; E88-K96 HydrophobicContact CG-CG 4.46Å; K96-A117 HydrophobicContact CB-CB 4.35Å; K96-A117 PolarHBondContact N-O 3.28Å; K96-A117 PolarHBondContact O-N 2.77Å |
| 97 | L | 96.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 69.9 Ų | 69.9 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.2 | 175.2 | -58.8 | 176.4 | 0 | 0 | 0 | 108.2 | T86 V87 L91 L95 T116 | T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.41Å; V87-L97 PolarHBondContact N-O 3.42Å; V87-L97 PolarHBondContact O-N 2.9Å; L91-L97 HydrophobicContact CD1-CD1 4.24Å; L95-L97 HydrophobicContact CD1-CD2 4.26Å; L95-L97 HydrophobicContact CD2-CD1 4.35Å; L95-L97 HydrophobicContact CD2-CD2 4.43Å; L95-L97 HydrophobicContact CD2-CG 4.28Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.3Å; L97-T116 HydrophobicContact CD2-CG2 3.54Å |
| 98 | T | 96.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.7 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | E84 I85 T86 K115 | E84-T98 HydrophobicContact CG-CG2 3.38Å; I85-T98 CarbonylContact O-C 3.5Å; I85-T98 VanDerWaalsContact O-CA 3.3Å; I85-T98 WeakPolarHBondContact O-CA 3.48Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.37Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å; T98-K115 PolarHBondContact N-O 2.77Å; T98-K115 PolarHBondContact O-N 3.15Å |
| 99 | F | 96.2 | Very high | 91 | Very high | 104 Ų | 104 | 71.4 Ų | 71.4 | 46% | 0.456 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.3 | 168 | 178.2 | -100.3 | 0 | 0 | 0 | 108.5 | E84 I85 | E84-F99 CarbonylContact C-O 3.54Å; E84-F99 WeakPolarHBondContact CA-O 3.33Å; I85-F99 PolarHBondContact N-O 3.31Å; I85-F99 PolarHBondContact O-N 3.39Å |
| 100 | D | 95.1 | Very high | 91 | Very high | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.139 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.4 | -175.6 | 171 | 5.1 | 0 | 0 | 0 | 108.1 | T83 E84 G112 K113 K115 | T83-D100 CarbonylContact O-C 3.57Å; T83-D100 WeakPolarHBondContact O-CA 3.46Å; E84-D100 HydrophobicContact CG-CB 4.31Å; D100-G112 CarbonylContact O-C 3.53Å; D100-G112 WeakPolarHBondContact O-CA 3.35Å; D100-K113 HydrophobicContact CB-CB 4.12Å; D100-K113 PolarHBondContact N-O 2.8Å; D100-K113 PolarHBondContact O-N 2.8Å; D100-K115 IonicContact OD2-NZ 3.82Å; D100-K115 PolarHBondContact OD2-NZ 2.9Å |
| 101 | S | 94.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.3 | -178 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | G82 T83 | G82-S101 CarbonylContact C-O 3.6Å; G82-S101 VanDerWaalsContact CA-O 3.27Å; G82-S101 WeakPolarHBondContact CA-O 3.23Å; T83-S101 PolarHBondContact N-O 2.91Å; T83-S101 PolarHBondContact O-N 3.21Å |
| 102 | S | 93.3 | Very high | 91.7 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.6 | 176.3 | 69 | 0 | 0 | 0 | 0 | 112.1 | L81 K110 G111 | L81-S102 CarbonylContact O-C 3.51Å; L81-S102 VanDerWaalsContact O-CA 3.29Å; L81-S102 WeakPolarHBondContact O-CA 3.5Å; S102-K110 WeakPolarHBondContact O-CA 3.31Å; S102-G111 PolarHBondContact N-O 2.86Å; S102-G111 PolarHBondContact O-N 2.84Å |
| 103 | F | 91.6 | Very high | 92 | Very high | 76 Ų | 76 | 64.6 Ų | 64.6 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.1 | 178.4 | 177.9 | -122.8 | 0 | 0 | 0 | 110.8 | T80 L81 P105 K110 | T80-F103 WeakPolarHBondContact CA-O 3.3Å; L81-F103 PolarHBondContact N-O 2.81Å; L81-F103 PolarHBondContact O-N 2.81Å; F103-P105 HydrophobicContact CD1-CG 3.99Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.68Å; F103-P105 HydrophobicContact CZ-CB 4.33Å; F103-P105 HydrophobicContact CZ-CG 4.37Å; F103-K110 HydrophobicContact CD2-CD 4.46Å; F103-K110 HydrophobicContact CD2-CG 3.63Å; F103-K110 HydrophobicContact CE2-CG 4.15Å |
| 104 | S | 91.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 101 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | T80 N106 T107 G108 K109 | T80-S104 WeakPolarHBondContact CG2-OG 3.34Å; T80-S104 PolarHBondContact OG1-OG 2.86Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.12Å; S104-T107 WeakPolarHBondContact CB-OG1 3.34Å; S104-T107 PolarHBondContact O-N 2.86Å; S104-T107 PolarHBondContact O-OG1 2.79Å; S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.32Å; S104-K109 PolarHBondContact N-O 3.41Å; S104-K109 PolarHBondContact O-N 2.83Å |
| 105 | P | 88.7 | Confident | 92.6 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.3 | -177.9 | -22.4 | 32 | 0 | 0 | 0 | 113 | N79 F103 T107 G108 | N79-P105 HydrophobicContact CB-CG 4.46Å; N79-P105 WeakPolarHBondContact O-CD 3.26Å; F103-P105 HydrophobicContact CD1-CG 3.99Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.68Å; F103-P105 HydrophobicContact CZ-CB 4.33Å; F103-P105 HydrophobicContact CZ-CG 4.37Å; P105-T107 PolarHBondContact O-N 3.21Å; P105-G108 PolarHBondContact O-N 2.79Å |
| 106 | N | 87.3 | Confident | 92.7 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.7 | -177.2 | -65.9 | -18.2 | 0 | 0 | 0 | 113.2 | D78 S104 | D78-N106 PolarHBondContact O-ND2 2.8Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.12Å |
| 107 | T | 87.1 | Confident | 92.8 | Very high | 106 Ų | 106 | 60 Ų | 60 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -7.8 | -178.4 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | S104 P105 K109 | S104-T107 WeakPolarHBondContact CB-OG1 3.34Å; S104-T107 PolarHBondContact O-N 2.86Å; S104-T107 PolarHBondContact O-OG1 2.79Å; P105-T107 PolarHBondContact O-N 3.21Å; T107-K109 PolarHBondContact O-N 2.78Å; T107-K109 VanDerWaalsContact OG1-CB 3.31Å; T107-K109 WeakPolarHBondContact OG1-CB 3.47Å; T107-K109 PolarHBondContact OG1-N 2.78Å |
| 108 | G | 85.9 | Confident | 92.8 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 3.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S104 P105 K110 | S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.32Å; P105-G108 PolarHBondContact O-N 2.79Å; G108-K110 PolarHBondContact O-N 2.82Å |
| 109 | K | 87.8 | Confident | 92.7 | Very high | 92 Ų | 92 | 64.6 Ų | 64.6 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.2 | -175.7 | -171.7 | 175.6 | -176.9 | 172.9 | 0 | 110.4 | S104 T107 D132 | S104-K109 PolarHBondContact N-O 3.41Å; S104-K109 PolarHBondContact O-N 2.83Å; T107-K109 PolarHBondContact O-N 2.78Å; T107-K109 VanDerWaalsContact OG1-CB 3.31Å; T107-K109 WeakPolarHBondContact OG1-CB 3.47Å; T107-K109 PolarHBondContact OG1-N 2.78Å; K109-D132 WeakPolarHBondContact CE-OD1 3.27Å; K109-D132 WeakPolarHBondContact CE-OD2 3.46Å; K109-D132 IonicContact NZ-OD1 3.99Å; K109-D132 IonicContact NZ-OD2 3.23Å; K109-D132 PolarHBondContact NZ-OD2 2.81Å |
| 110 | K | 90.2 | Very high | 92.5 | Very high | 137 Ų | 137 | 61.4 Ų | 61.4 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134 | 174.2 | -68.5 | 174.7 | -176.3 | -177.7 | 0 | 109 | S102 F103 G108 | S102-K110 WeakPolarHBondContact O-CA 3.31Å; F103-K110 HydrophobicContact CD2-CD 4.46Å; F103-K110 HydrophobicContact CD2-CG 3.63Å; F103-K110 HydrophobicContact CE2-CG 4.15Å; G108-K110 PolarHBondContact O-N 2.82Å |
| 111 | G | 91.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S102 Y131 | S102-G111 PolarHBondContact N-O 2.86Å; S102-G111 PolarHBondContact O-N 2.84Å; G111-Y131 WeakPolarHBondContact CA-O 3.29Å |
| 112 | G | 94.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D100 Y131 | D100-G112 CarbonylContact O-C 3.53Å; D100-G112 WeakPolarHBondContact O-CA 3.35Å; G112-Y131 PolarHBondContact N-O 2.81Å; G112-Y131 WeakPolarHBondContact O-CA 3.31Å; G112-Y131 PolarHBondContact O-N 2.79Å |
| 113 | K | 95.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 66.7 Ų | 66.7 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.5 | 174.5 | -53.2 | -177.1 | 176.3 | 173.1 | 0 | 108.7 | D100 V129 N130 | D100-K113 HydrophobicContact CB-CB 4.12Å; D100-K113 PolarHBondContact N-O 2.8Å; D100-K113 PolarHBondContact O-N 2.8Å; K113-V129 CarbonylContact C-O 3.56Å; K113-V129 VanDerWaalsContact CA-O 3.29Å; K113-V129 WeakPolarHBondContact CA-O 3.33Å; K113-N130 WeakPolarHBondContact CB-OD1 3.41Å; K113-N130 VanDerWaalsContact CD-OD1 3.29Å; K113-N130 WeakPolarHBondContact CD-OD1 3.36Å; K113-N130 HydrophobicContact CG-CB 4.44Å; K113-N130 WeakPolarHBondContact CG-OD1 3.39Å |
| 114 | L | 96.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 110.6 | 169.6 | -179.6 | 65.7 | 0 | 0 | 0 | 107.8 | T116 D128 V129 | L114-T116 HydrophobicContact CG-CG2 4.48Å; L114-D128 CarbonylContact O-C 3.53Å; L114-D128 WeakPolarHBondContact O-CA 3.32Å; L114-V129 HydrophobicContact CB-CB 4.45Å; L114-V129 PolarHBondContact N-O 3.2Å; L114-V129 PolarHBondContact O-N 2.77Å |
| 115 | K | 96.6 | Very high | 93 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 21% | 0.213 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.6 | -179.9 | -49.6 | 178.2 | -169.6 | 140.8 | 0 | 108.9 | E84 T98 D100 D128 | E84-K115 IonicContact OE2-NZ 3.69Å; T98-K115 PolarHBondContact N-O 2.77Å; T98-K115 PolarHBondContact O-N 3.15Å; D100-K115 IonicContact OD2-NZ 3.82Å; D100-K115 PolarHBondContact OD2-NZ 2.9Å; K115-D128 WeakPolarHBondContact CA-OD1 3.4Å; K115-D128 WeakPolarHBondContact CB-OD1 3.37Å; K115-D128 HydrophobicContact CG-CB 4.18Å; K115-D128 WeakPolarHBondContact CG-OD1 3.06Å |
| 116 | T | 96.3 | Very high | 93.4 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.8 | 177 | 61.5 | 0 | 0 | 0 | 0 | 107.7 | L97 L114 G126 C127 | L97-T116 HydrophobicContact CD2-CG2 3.54Å; L114-T116 HydrophobicContact CG-CG2 4.48Å; T116-G126 CarbonylContact O-C 3.54Å; T116-G126 VanDerWaalsContact O-CA 3.32Å; T116-G126 WeakPolarHBondContact O-CA 3.33Å; T116-C127 PolarHBondContact N-O 2.77Å; T116-C127 PolarHBondContact O-N 2.82Å; T116-C127 WeakPolarHBondContact OG1-CB 3.11Å; T116-C127 PolarHBondContact OG1-O 2.82Å |
| 117 | A | 96.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L95 K96 L125 | L95-A117 CarbonylContact C-O 3.49Å; L95-A117 WeakPolarHBondContact CA-O 3.35Å; K96-A117 HydrophobicContact CB-CB 4.35Å; K96-A117 PolarHBondContact N-O 3.28Å; K96-A117 PolarHBondContact O-N 2.77Å; A117-L125 CarbonylContact C-O 3.53Å; A117-L125 VanDerWaalsContact CA-O 3.23Å; A117-L125 WeakPolarHBondContact CA-O 3.41Å |
| 118 | Y | 96.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 58.8 Ų | 58.8 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.9 | 176.5 | 177.2 | -108.4 | 0 | 0 | 0 | 109.3 | V92 G94 L95 C120 L125 | V92-Y118 HydrophobicContact CG1-CE2 4.06Å; G94-Y118 WeakPolarHBondContact O-CA 3.37Å; L95-Y118 HydrophobicContact CB-CD2 4.28Å; L95-Y118 HydrophobicContact CD1-CD2 4.4Å; Y118-C120 HydrophobicContact CE1-CB 4.07Å; Y118-L125 PolarHBondContact N-O 2.73Å; Y118-L125 PolarHBondContact O-N 2.81Å |
| 119 | K | 94.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131 | -179.4 | 75.3 | -164.8 | 166.3 | -169.7 | 0 | 109.9 | V3 E88 G94 | V3-K119 HydrophobicContact CG1-CB 3.65Å; V3-K119 HydrophobicContact CG1-CD 4.33Å; V3-K119 HydrophobicContact CG1-CG 4.03Å; E88-K119 IonicContact OE1-NZ 2.75Å; E88-K119 PolarHBondContact OE1-NZ 2.82Å; G94-K119 WeakPolarHBondContact CA-O 3.26Å; G94-K119 PolarHBondContact O-N 3.19Å |
| 120 | C | 92.9 | Very high | 95 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -175.8 | 170.7 | 63.4 | 0 | 0 | 0 | 0 | 109.6 | Y118 H122 I123 | Y118-C120 HydrophobicContact CE1-CB 4.07Å; C120-H122 PolarHBondContact O-N 2.84Å; C120-I123 PolarHBondContact N-O 2.64Å; C120-I123 PolarHBondContact O-N 2.77Å |
| 121 | D | 93.1 | Very high | 95 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 130.2 | 177.8 | -66.7 | -15.3 | 0 | 0 | 0 | 109.7 | I123 | D121-I123 PolarHBondContact O-N 2.8Š|
| 122 | H | 93.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -5.7 | -179.1 | -55.5 | -78.4 | 0 | 0 | 0 | 116.8 | C120 V144 G145 | C120-H122 PolarHBondContact O-N 2.84Å; H122-V144 CarbonylContact O-C 3.54Å; H122-V144 WeakPolarHBondContact O-CA 3.3Å; H122-G145 VanDerWaalsContact CB-O 3.28Å; H122-G145 WeakPolarHBondContact CB-O 3.02Å; H122-G145 PolarHBondContact ND1-O 2.81Å; H122-G145 PolarHBondContact O-N 2.99Å |
| 123 | I | 95.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 63 Ų | 63 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.2 | -173.5 | -54.2 | 177.9 | 0 | 0 | 0 | 111.6 | C120 D121 L125 V143 V144 | C120-I123 PolarHBondContact N-O 2.64Å; C120-I123 PolarHBondContact O-N 2.77Å; D121-I123 PolarHBondContact O-N 2.8Å; I123-L125 HydrophobicContact CG2-CD1 4.34Å; I123-L125 HydrophobicContact CG2-CD2 3.77Å; I123-L125 HydrophobicContact CG2-CG 3.75Å; I123-V143 CarbonylContact C-O 3.57Å; I123-V143 WeakPolarHBondContact CA-O 3.16Å; I123-V144 HydrophobicContact CG1-CG1 4.41Å |
| 124 | N | 96.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 115.5 | 169.4 | -168.6 | -33.7 | 0 | 0 | 0 | 109.4 | P4 T6 A142 V143 | P4-N124 HydrophobicContact CG-CB 3.95Å; P4-N124 WeakPolarHBondContact O-CB 3.35Å; P4-N124 PolarHBondContact O-ND2 2.78Å; T6-N124 PolarHBondContact N-ND2 2.98Å; N124-A142 CarbonylContact O-C 3.45Å; N124-A142 WeakPolarHBondContact O-CA 3.34Å; N124-V143 HydrophobicContact CB-CB 4.46Å; N124-V143 PolarHBondContact N-O 3.18Å; N124-V143 PolarHBondContact O-N 3.3Å |
| 125 | L | 97.3 | Very high | 92.4 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.9 | -179 | -55.7 | 178.1 | 0 | 0 | 0 | 109.7 | A117 Y118 I123 A141 A142 | A117-L125 CarbonylContact C-O 3.53Å; A117-L125 VanDerWaalsContact CA-O 3.23Å; A117-L125 WeakPolarHBondContact CA-O 3.41Å; Y118-L125 PolarHBondContact N-O 2.73Å; Y118-L125 PolarHBondContact O-N 2.81Å; I123-L125 HydrophobicContact CG2-CD1 4.34Å; I123-L125 HydrophobicContact CG2-CD2 3.77Å; I123-L125 HydrophobicContact CG2-CG 3.75Å; L125-A141 CarbonylContact C-O 3.57Å; L125-A141 WeakPolarHBondContact CA-O 3.33Å; L125-A142 HydrophobicContact CD2-CB 3.57Å |
| 126 | G | 96.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 139 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T116 G140 A141 | T116-G126 CarbonylContact O-C 3.54Å; T116-G126 VanDerWaalsContact O-CA 3.32Å; T116-G126 WeakPolarHBondContact O-CA 3.33Å; G126-G140 CarbonylContact O-C 3.57Å; G126-A141 PolarHBondContact N-O 2.8Å; G126-A141 PolarHBondContact O-N 2.83Å |
| 127 | C | 97.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 115 | 170.6 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | T116 H139 | T116-C127 PolarHBondContact N-O 2.77Å; T116-C127 PolarHBondContact O-N 2.82Å; T116-C127 WeakPolarHBondContact OG1-CB 3.11Å; T116-C127 PolarHBondContact OG1-O 2.82Å; C127-H139 CarbonylContact C-O 3.54Å; C127-H139 VanDerWaalsContact CA-O 3.29Å; C127-H139 WeakPolarHBondContact CA-O 3.19Å |
| 128 | D | 95.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119 | 179.9 | -61.4 | -8.6 | 0 | 0 | 0 | 109.5 | L114 K115 H139 | L114-D128 CarbonylContact O-C 3.53Å; L114-D128 WeakPolarHBondContact O-CA 3.32Å; K115-D128 WeakPolarHBondContact CA-OD1 3.4Å; K115-D128 WeakPolarHBondContact CB-OD1 3.37Å; K115-D128 HydrophobicContact CG-CB 4.18Å; K115-D128 WeakPolarHBondContact CG-OD1 3.06Å; D128-H139 HydrophobicContact CB-CB 4.23Å; D128-H139 PolarHBondContact N-O 2.91Å; D128-H139 PolarHBondContact O-N 2.84Å |
| 129 | V | 96 | Very high | 92.2 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 107.7 | 172.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | K113 L114 T136 | K113-V129 CarbonylContact C-O 3.56Å; K113-V129 VanDerWaalsContact CA-O 3.29Å; K113-V129 WeakPolarHBondContact CA-O 3.33Å; L114-V129 HydrophobicContact CB-CB 4.45Å; L114-V129 PolarHBondContact N-O 3.2Å; L114-V129 PolarHBondContact O-N 2.77Å; V129-T136 HydrophobicContact CG1-CG2 3.79Å |
| 130 | N | 93.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.2 | 178 | -70.1 | -13.4 | 0 | 0 | 0 | 109.6 | K113 T136 A137 H139 | K113-N130 WeakPolarHBondContact CB-OD1 3.41Å; K113-N130 VanDerWaalsContact CD-OD1 3.29Å; K113-N130 WeakPolarHBondContact CD-OD1 3.36Å; K113-N130 HydrophobicContact CG-CB 4.44Å; K113-N130 WeakPolarHBondContact CG-OD1 3.39Å; N130-T136 CarbonylContact O-C 3.55Å; N130-T136 VanDerWaalsContact O-CA 3.31Å; N130-T136 WeakPolarHBondContact O-CA 3.48Å; N130-A137 PolarHBondContact N-O 2.82Å; N130-A137 PolarHBondContact O-N 2.89Å; N130-H139 PolarHBondContact ND2-CD2 2.92Å; N130-H139 PolarHBondContact ND2-NE2 2.84Å |
| 131 | Y | 90 | Very high | 92.6 | Very high | 138 Ų | 138 | 58.2 Ų | 58.2 | 54% | 0.541 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.3 | 172.7 | 178 | -94 | 0 | 0 | 0 | 110.1 | G111 G112 | G111-Y131 WeakPolarHBondContact CA-O 3.29Å; G112-Y131 PolarHBondContact N-O 2.81Å; G112-Y131 WeakPolarHBondContact O-CA 3.31Å; G112-Y131 PolarHBondContact O-N 2.79Å |
| 132 | D | 82.1 | Confident | 92.8 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 161.4 | 166.7 | -166.8 | -1.6 | 0 | 0 | 0 | 108.2 | K109 N134 G135 | K109-D132 WeakPolarHBondContact CE-OD1 3.27Å; K109-D132 WeakPolarHBondContact CE-OD2 3.46Å; K109-D132 IonicContact NZ-OD1 3.99Å; K109-D132 IonicContact NZ-OD2 3.23Å; K109-D132 PolarHBondContact NZ-OD2 2.81Å; D132-N134 PolarHBondContact O-N 2.79Å; D132-G135 PolarHBondContact N-O 2.83Å; D132-G135 PolarHBondContact O-N 2.85Å; D132-G135 VanDerWaalsContact O-O 3.07Å |
| 133 | I | 76.9 | Confident | 93.1 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.1 | 175 | -161.7 | 166 | 0 | 0 | 0 | 112.6 | ||
| 134 | N | 79.1 | Confident | 93.1 | Very high | 140 Ų | 140 | 52.6 Ų | 52.6 | 75% | 0.749 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -2.2 | -179.5 | -60.5 | -45.9 | 0 | 0 | 0 | 113.8 | D132 | D132-N134 PolarHBondContact O-N 2.79Š|
| 135 | G | 86 | Confident | 93.1 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | 172.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | D132 | D132-G135 PolarHBondContact N-O 2.83Å; D132-G135 PolarHBondContact O-N 2.85Å; D132-G135 VanDerWaalsContact O-O 3.07Å |
| 136 | T | 93.3 | Very high | 93 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.2 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | V129 N130 A159 | V129-T136 HydrophobicContact CG1-CG2 3.79Å; N130-T136 CarbonylContact O-C 3.55Å; N130-T136 VanDerWaalsContact O-CA 3.31Å; N130-T136 WeakPolarHBondContact O-CA 3.48Å; T136-A159 WeakPolarHBondContact O-CB 3.43Å; T136-A159 PolarHBondContact O-N 2.77Å |
| 137 | A | 94.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N130 T156 F157 | N130-A137 PolarHBondContact N-O 2.82Å; N130-A137 PolarHBondContact O-N 2.89Å; A137-T156 HydrophobicContact CB-CG2 4.45Å; A137-F157 CarbonylContact C-O 3.51Å; A137-F157 WeakPolarHBondContact CA-O 3.2Å |
| 138 | I | 96.2 | Very high | 92.4 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121 | 177.3 | -54.4 | 175.9 | 0 | 0 | 0 | 107.4 | T156 F157 | I138-T156 CarbonylContact O-C 3.55Å; I138-T156 WeakPolarHBondContact O-CA 3.4Å; I138-F157 HydrophobicContact CD1-CD1 4.4Å; I138-F157 PolarHBondContact N-O 2.74Å; I138-F157 PolarHBondContact O-N 3.06Å |
| 139 | H | 96.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 65 Ų | 65 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117 | 176.7 | -52.6 | -82.6 | 0 | 0 | 0 | 109.2 | C127 D128 N130 T155 T156 | C127-H139 CarbonylContact C-O 3.54Å; C127-H139 VanDerWaalsContact CA-O 3.29Å; C127-H139 WeakPolarHBondContact CA-O 3.19Å; D128-H139 HydrophobicContact CB-CB 4.23Å; D128-H139 PolarHBondContact N-O 2.91Å; D128-H139 PolarHBondContact O-N 2.84Å; N130-H139 PolarHBondContact ND2-CD2 2.92Å; N130-H139 PolarHBondContact ND2-NE2 2.84Å; H139-T155 CarbonylContact C-O 3.51Å; H139-T155 VanDerWaalsContact CA-O 3.31Å; H139-T155 WeakPolarHBondContact CA-O 3.3Å; H139-T156 WeakPolarHBondContact CE1-CG2 3.5Å; H139-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T156 PolarHBondContact ND1-OG1 2.7Å |
| 140 | G | 97.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 141.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G126 Q154 T155 | G126-G140 CarbonylContact O-C 3.57Å; G140-Q154 CarbonylContact O-C 3.26Å; G140-Q154 VanDerWaalsContact O-CA 3.29Å; G140-Q154 WeakPolarHBondContact O-CA 3.42Å; G140-T155 PolarHBondContact N-O 2.8Å; G140-T155 PolarHBondContact O-N 2.83Å |
| 141 | A | 97.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 64 Ų | 64 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L125 G126 Y153 | L125-A141 CarbonylContact C-O 3.57Å; L125-A141 WeakPolarHBondContact CA-O 3.33Å; G126-A141 PolarHBondContact N-O 2.8Å; G126-A141 PolarHBondContact O-N 2.83Å; A141-Y153 CarbonylContact C-O 3.58Å; A141-Y153 VanDerWaalsContact CA-O 3.3Å; A141-Y153 WeakPolarHBondContact CA-O 3.36Å |
| 142 | A | 97.8 | Very high | 93 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 28% | 0.281 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N124 L125 G152 Y153 | N124-A142 CarbonylContact O-C 3.45Å; N124-A142 WeakPolarHBondContact O-CA 3.34Å; L125-A142 HydrophobicContact CD2-CB 3.57Å; A142-G152 CarbonylContact O-C 3.48Å; A142-G152 VanDerWaalsContact O-CA 3.28Å; A142-G152 WeakPolarHBondContact O-CA 3.18Å; A142-Y153 PolarHBondContact N-O 2.82Å; A142-Y153 PolarHBondContact O-N 2.82Å |
| 143 | V | 97.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.2 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | P4 Y7 L10 I123 N124 A151 | P4-V143 HydrophobicContact CB-CG1 3.88Å; P4-V143 HydrophobicContact CG-CG1 4.45Å; Y7-V143 HydrophobicContact CD2-CG2 4.42Å; L10-V143 HydrophobicContact CD1-CG2 4.17Å; L10-V143 HydrophobicContact CD2-CG1 4.29Å; I123-V143 CarbonylContact C-O 3.57Å; I123-V143 WeakPolarHBondContact CA-O 3.16Å; N124-V143 HydrophobicContact CB-CB 4.46Å; N124-V143 PolarHBondContact N-O 3.18Å; N124-V143 PolarHBondContact O-N 3.3Å; V143-A151 CarbonylContact C-O 3.46Å; V143-A151 WeakPolarHBondContact CA-O 3.48Å |
| 144 | V | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 144.1 | 171.4 | -60 | 0 | 0 | 0 | 0 | 109.6 | H122 I123 L150 A151 | H122-V144 CarbonylContact O-C 3.54Å; H122-V144 WeakPolarHBondContact O-CA 3.3Å; I123-V144 HydrophobicContact CG1-CG1 4.41Å; V144-L150 CarbonylContact O-C 3.59Å; V144-L150 WeakPolarHBondContact O-CA 3.17Å; V144-A151 HydrophobicContact CG2-CB 3.88Å; V144-A151 PolarHBondContact N-O 3.38Å; V144-A151 PolarHBondContact O-N 3.24Å |
| 145 | G | 96.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H122 W149 | H122-G145 VanDerWaalsContact CB-O 3.28Å; H122-G145 WeakPolarHBondContact CB-O 3.02Å; H122-G145 PolarHBondContact ND1-O 2.81Å; H122-G145 PolarHBondContact O-N 2.99Å; G145-W149 CarbonylContact C-O 3.59Å; G145-W149 WeakPolarHBondContact CA-O 3.37Å |
| 146 | F | 93.8 | Very high | 96.2 | Very high | 133 Ų | 133 | 49.4 Ų | 49.4 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 124.3 | 178.6 | -175 | -96.9 | 0 | 0 | 0 | 110.1 | G148 W149 | F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact O-N 3.11Å; F146-W149 PolarHBondContact N-O 3.29Å; F146-W149 WeakPolarHBondContact O-CA 3.39Å; F146-W149 VanDerWaalsContact O-CB 3.26Å; F146-W149 WeakPolarHBondContact O-CB 3.32Å; F146-W149 PolarHBondContact O-N 3.22Å |
| 147 | E | 91.3 | Very high | 96.3 | Very high | 152 Ų | 152 | 50.4 Ų | 50.4 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 45.6 | 178.6 | -64.4 | -173.6 | 164.9 | 0 | 0 | 114.6 | W149 | E147-W149 PolarHBondContact O-N 3.06Š|
| 148 | G | 91.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -19.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F146 Y173 K174 | F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact O-N 3.11Å; G148-Y173 CarbonylContact O-C 3.55Å; G148-Y173 WeakPolarHBondContact O-CA 3.46Å; G148-K174 PolarHBondContact O-N 3.29Å |
| 149 | W | 95.9 | Very high | 96 | Very high | 146 Ų | 146 | 51.5 Ų | 51.5 | 55% | 0.553 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 146.2 | 170.6 | -64.7 | 89.7 | 0 | 0 | 0 | 111.4 | G145 F146 E147 V171 G172 Y173 | G145-W149 CarbonylContact C-O 3.59Å; G145-W149 WeakPolarHBondContact CA-O 3.37Å; F146-W149 PolarHBondContact N-O 3.29Å; F146-W149 WeakPolarHBondContact O-CA 3.39Å; F146-W149 VanDerWaalsContact O-CB 3.26Å; F146-W149 WeakPolarHBondContact O-CB 3.32Å; F146-W149 PolarHBondContact O-N 3.22Å; E147-W149 PolarHBondContact O-N 3.06Å; W149-V171 HydrophobicContact CE3-CG1 4.45Å; W149-G172 CarbonylContact C-O 3.49Å; W149-G172 WeakPolarHBondContact CA-O 3.45Å; W149-Y173 AromaticContact CD1-CD2 3.97Å; W149-Y173 AromaticContact CD2-CD2 3.8Å; W149-Y173 HydrophobicContact CD2-CD2 3.8Å; W149-Y173 AromaticContact CE2-CD2 3.8Å; W149-Y173 HydrophobicContact CE3-CD2 4.33Å; W149-Y173 AromaticContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CE2 4.47Å; W149-Y173 HydrophobicContact CZ2-CD2 4.35Å; W149-Y173 AromaticContact NE1-CD2 3.89Å; W149-Y173 AromaticContact NE1-CE2 3.92Å |
| 150 | L | 96.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.8 | 177.3 | -62.2 | 172.2 | 0 | 0 | 0 | 108.2 | P4 P5 L10 V144 V171 G172 K174 | P4-L150 HydrophobicContact CB-CD2 3.74Å; P5-L150 HydrophobicContact CG-CD1 4.22Å; L10-L150 HydrophobicContact CD2-CB 4.14Å; L10-L150 HydrophobicContact CD2-CD1 3.76Å; V144-L150 CarbonylContact O-C 3.59Å; V144-L150 WeakPolarHBondContact O-CA 3.17Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.42Å; L150-G172 PolarHBondContact N-O 3.21Å; L150-G172 PolarHBondContact O-N 3.15Å; L150-K174 HydrophobicContact CD1-CB 4.05Å |
| 151 | A | 97.8 | Very high | 95.3 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | V143 V144 A170 | V143-A151 CarbonylContact C-O 3.46Å; V143-A151 WeakPolarHBondContact CA-O 3.48Å; V144-A151 HydrophobicContact CG2-CB 3.88Å; V144-A151 PolarHBondContact N-O 3.38Å; V144-A151 PolarHBondContact O-N 3.24Å; A151-A170 CarbonylContact C-O 3.52Å; A151-A170 WeakPolarHBondContact CA-O 3.16Å |
| 152 | G | 97.6 | Very high | 95 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A142 F169 A170 | A142-G152 CarbonylContact O-C 3.48Å; A142-G152 VanDerWaalsContact O-CA 3.28Å; A142-G152 WeakPolarHBondContact O-CA 3.18Å; G152-F169 WeakPolarHBondContact O-CA 3.45Å; G152-A170 PolarHBondContact N-O 2.86Å; G152-A170 PolarHBondContact O-N 2.84Å |
| 153 | Y | 98.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.5 | 168.6 | -178.4 | -115.3 | 0 | 0 | 0 | 109.5 | A141 A142 T155 S167 N168 F169 | A141-Y153 CarbonylContact C-O 3.58Å; A141-Y153 VanDerWaalsContact CA-O 3.3Å; A141-Y153 WeakPolarHBondContact CA-O 3.36Å; A142-Y153 PolarHBondContact N-O 2.82Å; A142-Y153 PolarHBondContact O-N 2.82Å; Y153-T155 HydrophobicContact CE1-CG2 4Å; Y153-S167 WeakPolarHBondContact CE2-OG 3.3Å; Y153-S167 PolarHBondContact OH-OG 3.47Å; Y153-N168 WeakPolarHBondContact CA-O 3.38Å; Y153-N168 WeakPolarHBondContact CD2-O 3.28Å; Y153-F169 AromaticContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD2 4.43Å; Y153-F169 AromaticContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE2 4.23Å; Y153-F169 HydrophobicContact CD2-CG 4.14Å; Y153-F169 AromaticContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CE2-CD1 4.17Å; Y153-F169 HydrophobicContact CE2-CD2 4.41Å; Y153-F169 AromaticContact CE2-CE1 3.57Å; Y153-F169 HydrophobicContact CE2-CE1 3.57Å; Y153-F169 AromaticContact CE2-CE2 3.85Å; Y153-F169 HydrophobicContact CE2-CE2 3.85Å; Y153-F169 AromaticContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CG-CE1 4.32Å |
| 154 | Q | 97.7 | Very high | 94.7 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 138 | 172.7 | 176.3 | -177.2 | 56.1 | 0 | 0 | 109.5 | Y7 G140 S167 N168 | Y7-Q154 HydrophobicContact CD1-CB 3.55Å; Y7-Q154 HydrophobicContact CD1-CG 4.14Å; Y7-Q154 HydrophobicContact CD2-CB 3.93Å; Y7-Q154 HydrophobicContact CE1-CB 3.53Å; Y7-Q154 HydrophobicContact CE1-CG 4.27Å; Y7-Q154 VanDerWaalsContact CE1-OE1 3.29Å; Y7-Q154 HydrophobicContact CE2-CB 3.91Å; Y7-Q154 HydrophobicContact CG-CB 3.78Å; G140-Q154 CarbonylContact O-C 3.26Å; G140-Q154 VanDerWaalsContact O-CA 3.29Å; G140-Q154 WeakPolarHBondContact O-CA 3.42Å; Q154-S167 WeakPolarHBondContact O-CA 3.44Å; Q154-N168 HydrophobicContact CB-CB 4.35Å; Q154-N168 PolarHBondContact N-O 3.48Å; Q154-N168 PolarHBondContact O-N 2.79Å; Q154-N168 PolarHBondContact OE1-ND2 2.8Å |
| 155 | T | 97.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 70.9 Ų | 70.9 | 18% | 0.184 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.3 | 179.4 | -170.5 | 0 | 0 | 0 | 0 | 111 | H139 G140 Y153 Q166 | H139-T155 CarbonylContact C-O 3.51Å; H139-T155 VanDerWaalsContact CA-O 3.31Å; H139-T155 WeakPolarHBondContact CA-O 3.3Å; G140-T155 PolarHBondContact N-O 2.8Å; G140-T155 PolarHBondContact O-N 2.83Å; Y153-T155 HydrophobicContact CE1-CG2 4Å; T155-Q166 CarbonylContact C-O 3.57Å; T155-Q166 VanDerWaalsContact CA-O 3.25Å; T155-Q166 WeakPolarHBondContact CA-O 3.32Å; T155-Q166 PolarHBondContact OG1-O 2.78Å |
| 156 | T | 96.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.3 | 170.3 | -58.7 | 0 | 0 | 0 | 0 | 108.9 | A137 I138 H139 V164 T165 Q166 | A137-T156 HydrophobicContact CB-CG2 4.45Å; I138-T156 CarbonylContact O-C 3.55Å; I138-T156 WeakPolarHBondContact O-CA 3.4Å; H139-T156 WeakPolarHBondContact CE1-CG2 3.5Å; H139-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T156 PolarHBondContact ND1-OG1 2.7Å; T156-V164 CarbonylContact O-C 3.55Å; T156-V164 WeakPolarHBondContact O-CA 3.45Å; T156-T165 PolarHBondContact O-N 2.84Å; T156-Q166 PolarHBondContact N-O 3.14Å; T156-Q166 PolarHBondContact O-N 3.39Å; T156-Q166 PolarHBondContact OG1-OE1 2.9Å |
| 157 | F | 95.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.9 | 173.8 | 178.6 | -97.8 | 0 | 0 | 0 | 110.3 | A137 I138 A159 N162 V164 | A137-F157 CarbonylContact C-O 3.51Å; A137-F157 WeakPolarHBondContact CA-O 3.2Å; I138-F157 HydrophobicContact CD1-CD1 4.4Å; I138-F157 PolarHBondContact N-O 2.74Å; I138-F157 PolarHBondContact O-N 3.06Å; F157-A159 HydrophobicContact CE1-CB 4.19Å; F157-N162 WeakPolarHBondContact CZ-OD1 3.45Å; F157-V164 HydrophobicContact CD2-CG2 4.04Å |
| 158 | E | 94.1 | Very high | 95 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.7 | 175.6 | -77.6 | 173.1 | -150.1 | 0 | 0 | 109.8 | G160 R161 N162 K163 T165 | E158-G160 VanDerWaalsContact C-N 3.32Å; E158-G160 PolarHBondContact O-N 2.85Å; E158-R161 HydrophobicContact CB-CB 4.39Å; E158-R161 PolarHBondContact O-N 2.79Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 WeakPolarHBondContact OE2-CD 3.29Å; E158-R161 IonicContact OE2-NE 2.86Å; E158-R161 IonicContact OE2-NH1 2.84Å; E158-R161 PolarHBondContact OE2-NH1 3.48Å; E158-N162 PolarHBondContact O-N 2.89Å; E158-K163 PolarHBondContact N-O 2.88Å; E158-K163 PolarHBondContact O-N 2.8Å; E158-T165 HydrophobicContact CB-CG2 4.18Å; E158-T165 HydrophobicContact CG-CG2 3.95Å; E158-T165 WeakPolarHBondContact OE1-CB 3.16Å; E158-T165 VanDerWaalsContact OE1-CG2 3.3Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.25Å; E158-T165 PolarHBondContact OE1-OG1 3.38Å |
| 159 | A | 90.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -63 | -38.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T136 F157 R161 N162 | T136-A159 WeakPolarHBondContact O-CB 3.43Å; T136-A159 PolarHBondContact O-N 2.77Å; F157-A159 HydrophobicContact CE1-CB 4.19Å; A159-R161 PolarHBondContact O-N 2.99Å; A159-N162 PolarHBondContact O-N 2.79Å |
| 160 | G | 89.1 | Confident | 95.4 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 76% | 0.763 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -64.2 | -23 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E158 | E158-G160 VanDerWaalsContact C-N 3.32Å; E158-G160 PolarHBondContact O-N 2.85Å |
| 161 | R | 89.9 | Confident | 95.4 | Very high | 161 Ų | 161 | 61 Ų | 61 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -107.9 | -4.6 | 178.2 | -63.8 | 174.1 | 75.2 | -171.6 | 3.7 | 113.2 | E158 A159 K163 | E158-R161 HydrophobicContact CB-CB 4.39Å; E158-R161 PolarHBondContact O-N 2.79Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 WeakPolarHBondContact OE2-CD 3.29Å; E158-R161 IonicContact OE2-NE 2.86Å; E158-R161 IonicContact OE2-NH1 2.84Å; E158-R161 PolarHBondContact OE2-NH1 3.48Å; A159-R161 PolarHBondContact O-N 2.99Å; R161-K163 HydrophobicContact CB-CB 4.31Å; R161-K163 PolarHBondContact O-N 2.79Å |
| 162 | N | 92.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 59 Ų | 59 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 45.8 | -172.2 | -167.4 | 30.8 | 0 | 0 | 0 | 112.7 | F157 E158 A159 | F157-N162 WeakPolarHBondContact CZ-OD1 3.45Å; E158-N162 PolarHBondContact O-N 2.89Å; A159-N162 PolarHBondContact O-N 2.79Å |
| 163 | K | 95.1 | Very high | 95.3 | Very high | 121 Ų | 121 | 62.4 Ų | 62.4 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.1 | -172.8 | -176.2 | 175.9 | 177.7 | -177.7 | 0 | 111.7 | E158 R161 T165 | E158-K163 PolarHBondContact N-O 2.88Å; E158-K163 PolarHBondContact O-N 2.8Å; R161-K163 HydrophobicContact CB-CB 4.31Å; R161-K163 PolarHBondContact O-N 2.79Å; K163-T165 PolarHBondContact O-N 3.18Å |
| 164 | V | 94.8 | Very high | 95.1 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 117.3 | 164.5 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | T156 F157 Q166 | T156-V164 CarbonylContact O-C 3.55Å; T156-V164 WeakPolarHBondContact O-CA 3.45Å; F157-V164 HydrophobicContact CD2-CG2 4.04Å; V164-Q166 WeakPolarHBondContact CG1-O 3.37Å |
| 165 | T | 94.5 | Very high | 94.8 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -15 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | T156 E158 K163 | T156-T165 PolarHBondContact O-N 2.84Å; E158-T165 HydrophobicContact CB-CG2 4.18Å; E158-T165 HydrophobicContact CG-CG2 3.95Å; E158-T165 WeakPolarHBondContact OE1-CB 3.16Å; E158-T165 VanDerWaalsContact OE1-CG2 3.3Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.25Å; E158-T165 PolarHBondContact OE1-OG1 3.38Å; K163-T165 PolarHBondContact O-N 3.18Å |
| 166 | Q | 95.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 136.5 | 176.5 | -165.3 | -178.1 | -35.1 | 0 | 0 | 109.9 | T155 T156 V164 N168 D186 | T155-Q166 CarbonylContact C-O 3.57Å; T155-Q166 VanDerWaalsContact CA-O 3.25Å; T155-Q166 WeakPolarHBondContact CA-O 3.32Å; T155-Q166 PolarHBondContact OG1-O 2.78Å; T156-Q166 PolarHBondContact N-O 3.14Å; T156-Q166 PolarHBondContact O-N 3.39Å; T156-Q166 PolarHBondContact OG1-OE1 2.9Å; V164-Q166 WeakPolarHBondContact CG1-O 3.37Å; Q166-N168 PolarHBondContact NE2-ND2 2.85Å; Q166-D186 VanDerWaalsContact CA-OD1 3.27Å; Q166-D186 WeakPolarHBondContact CA-OD1 3.28Å |
| 167 | S | 96.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 75.8 Ų | 75.8 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 103 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | Y153 Q154 D186 | Y153-S167 WeakPolarHBondContact CE2-OG 3.3Å; Y153-S167 PolarHBondContact OH-OG 3.47Å; Q154-S167 WeakPolarHBondContact O-CA 3.44Å; S167-D186 PolarHBondContact N-OD1 2.85Å; S167-D186 WeakPolarHBondContact O-CA 3.43Å; S167-D186 PolarHBondContact O-N 2.77Å |
| 168 | N | 97.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.043 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140 | -175.2 | -55.4 | -18.6 | 0 | 0 | 0 | 111 | Y7 Y153 Q154 Q166 V184 N185 D186 | Y7-N168 HydrophobicContact CE1-CB 4.36Å; Y7-N168 WeakPolarHBondContact OH-CB 3.26Å; Y153-N168 WeakPolarHBondContact CA-O 3.38Å; Y153-N168 WeakPolarHBondContact CD2-O 3.28Å; Q154-N168 HydrophobicContact CB-CB 4.35Å; Q154-N168 PolarHBondContact N-O 3.48Å; Q154-N168 PolarHBondContact O-N 2.79Å; Q154-N168 PolarHBondContact OE1-ND2 2.8Å; Q166-N168 PolarHBondContact NE2-ND2 2.85Å; N168-V184 CarbonylContact C-O 3.56Å; N168-V184 VanDerWaalsContact CA-O 3.3Å; N168-V184 WeakPolarHBondContact CA-O 2.9Å; N168-N185 WeakPolarHBondContact OD1-CA 3.31Å; N168-N185 VanDerWaalsContact OD1-CB 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.46Å; N168-D186 PolarHBondContact OD1-N 2.7Å |
| 169 | F | 97.7 | Very high | 94 | Very high | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144 | 174.5 | -63.6 | -90.3 | 0 | 0 | 0 | 109.3 | G152 Y153 N183 V184 | G152-F169 WeakPolarHBondContact O-CA 3.45Å; Y153-F169 AromaticContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD2 4.43Å; Y153-F169 AromaticContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE2 4.23Å; Y153-F169 HydrophobicContact CD2-CG 4.14Å; Y153-F169 AromaticContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CE2-CD1 4.17Å; Y153-F169 HydrophobicContact CE2-CD2 4.41Å; Y153-F169 AromaticContact CE2-CE1 3.57Å; Y153-F169 HydrophobicContact CE2-CE1 3.57Å; Y153-F169 AromaticContact CE2-CE2 3.85Å; Y153-F169 HydrophobicContact CE2-CE2 3.85Å; Y153-F169 AromaticContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CG-CE1 4.32Å; F169-N183 CarbonylContact O-C 3.59Å; F169-N183 WeakPolarHBondContact O-CA 3.25Å; F169-N183 WeakPolarHBondContact O-CB 3.45Å; F169-V184 PolarHBondContact N-O 2.78Å; F169-V184 PolarHBondContact O-N 2.86Å |
| 170 | A | 97.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 75 Ų | 75 | 2% | 0.017 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y7 L10 A151 G152 T182 N183 | Y7-A170 HydrophobicContact CE2-CB 3.72Å; L10-A170 HydrophobicContact CD1-CB 3.68Å; A151-A170 CarbonylContact C-O 3.52Å; A151-A170 WeakPolarHBondContact CA-O 3.16Å; G152-A170 PolarHBondContact N-O 2.86Å; G152-A170 PolarHBondContact O-N 2.84Å; A170-T182 CarbonylContact C-O 3.52Å; A170-T182 WeakPolarHBondContact CA-O 3.18Å; A170-N183 HydrophobicContact CB-CB 4.17Å |
| 171 | V | 97.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 72.7 Ų | 72.7 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.8 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | W149 L150 T182 | W149-V171 HydrophobicContact CE3-CG1 4.45Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.42Å; V171-T182 PolarHBondContact N-O 2.84Å; V171-T182 PolarHBondContact O-N 3.38Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.23Å |
| 172 | G | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 167.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | W149 L150 L180 | W149-G172 CarbonylContact C-O 3.49Å; W149-G172 WeakPolarHBondContact CA-O 3.45Å; L150-G172 PolarHBondContact N-O 3.21Å; L150-G172 PolarHBondContact O-N 3.15Å; G172-L180 CarbonylContact C-O 3.57Å; G172-L180 WeakPolarHBondContact CA-O 3.27Å |
| 173 | Y | 95.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 63.2 Ų | 63.2 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129 | 172.2 | -177.2 | -105.8 | 0 | 0 | 0 | 107.9 | G148 W149 T175 F178 Q179 L180 | G148-Y173 CarbonylContact O-C 3.55Å; G148-Y173 WeakPolarHBondContact O-CA 3.46Å; W149-Y173 AromaticContact CD1-CD2 3.97Å; W149-Y173 AromaticContact CD2-CD2 3.8Å; W149-Y173 HydrophobicContact CD2-CD2 3.8Å; W149-Y173 AromaticContact CE2-CD2 3.8Å; W149-Y173 HydrophobicContact CE3-CD2 4.33Å; W149-Y173 AromaticContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CE2 4.47Å; W149-Y173 HydrophobicContact CZ2-CD2 4.35Å; W149-Y173 AromaticContact NE1-CD2 3.89Å; W149-Y173 AromaticContact NE1-CE2 3.92Å; Y173-T175 HydrophobicContact CD1-CG2 4.23Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; Y173-F178 HydrophobicContact CD1-CD1 4.36Å; Y173-F178 HydrophobicContact CD1-CE1 4.46Å; Y173-Q179 CarbonylContact O-C 3.58Å; Y173-Q179 VanDerWaalsContact O-CA 3.3Å; Y173-Q179 WeakPolarHBondContact O-CA 3.19Å; Y173-L180 PolarHBondContact N-O 2.83Å; Y173-L180 PolarHBondContact O-N 2.82Å |
| 174 | K | 93.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.3 | -174.1 | 176.5 | 171 | -176.2 | -172 | 0 | 110.5 | G148 L150 Q179 | G148-K174 PolarHBondContact O-N 3.29Å; L150-K174 HydrophobicContact CD1-CB 4.05Å; K174-Q179 HydrophobicContact CB-CG 4.49Å; K174-Q179 HydrophobicContact CG-CG 4.04Å |
| 175 | T | 91.2 | Very high | 95.4 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | trans | -125.3 | -178.1 | 166.3 | 65.6 | 0 | 0 | 0 | 0 | 108.5 | Y173 E177 F178 | Y173-T175 HydrophobicContact CD1-CG2 4.23Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; T175-E177 VanDerWaalsContact C-N 3.32Å; T175-F178 PolarHBondContact N-O 3.5Å; T175-F178 WeakPolarHBondContact OG1-CA 3.41Å; T175-F178 WeakPolarHBondContact OG1-CB 3.41Å; T175-F178 PolarHBondContact OG1-N 2.97Å; T175-F178 PolarHBondContact OG1-O 3.47Å | ||
| 176 | D | 85.8 | Confident | 95.3 | Very high | 156 Ų | 156 | 59.4 Ų | 59.4 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -70.1 | -29.9 | 178 | -68.9 | -20.5 | 0 | 0 | 0 | 112.9 | ||
| 177 | E | 91.4 | Very high | 95.2 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -105.3 | -24.1 | -175.3 | -62.7 | -179.2 | 169.1 | 0 | 0 | 113.2 | T175 Q196 K197 | T175-E177 VanDerWaalsContact C-N 3.32Å; E177-Q196 CarbonylContact O-C 3.48Å; E177-Q196 WeakPolarHBondContact O-CA 3.29Å; E177-K197 PolarHBondContact O-N 2.83Å |
| 178 | F | 94 | Very high | 95 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.2 | -171.5 | 174.9 | -93.8 | 0 | 0 | 0 | 111.5 | Y173 T175 L180 I194 Y195 | Y173-F178 HydrophobicContact CD1-CD1 4.36Å; Y173-F178 HydrophobicContact CD1-CE1 4.46Å; T175-F178 PolarHBondContact N-O 3.5Å; T175-F178 WeakPolarHBondContact OG1-CA 3.41Å; T175-F178 WeakPolarHBondContact OG1-CB 3.41Å; T175-F178 PolarHBondContact OG1-N 2.97Å; T175-F178 PolarHBondContact OG1-O 3.47Å; F178-L180 HydrophobicContact CE1-CB 3.74Å; F178-L180 HydrophobicContact CZ-CB 3.97Å; F178-I194 HydrophobicContact CD2-CG2 4.17Å; F178-I194 HydrophobicContact CE2-CG2 3.44Å; F178-I194 VanDerWaalsContact CE2-CG2 3.44Å; F178-I194 HydrophobicContact CZ-CG2 4.14Å; F178-Y195 WeakPolarHBondContact CA-O 3.37Å |
| 179 | Q | 95.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 65 Ų | 65 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 125.5 | 170.4 | -47.4 | -180 | 10.4 | 0 | 0 | 110.4 | S13 Y173 K174 I194 Y195 | S13-Q179 PolarHBondContact OG-NE2 2.88Å; S13-Q179 PolarHBondContact OG-OE1 3.4Å; Y173-Q179 CarbonylContact O-C 3.58Å; Y173-Q179 VanDerWaalsContact O-CA 3.3Å; Y173-Q179 WeakPolarHBondContact O-CA 3.19Å; K174-Q179 HydrophobicContact CB-CG 4.49Å; K174-Q179 HydrophobicContact CG-CG 4.04Å; Q179-I194 CarbonylContact O-C 3.53Å; Q179-I194 WeakPolarHBondContact O-CA 3.29Å; Q179-Y195 HydrophobicContact CB-CD1 4.45Å; Q179-Y195 HydrophobicContact CG-CD1 3.97Å; Q179-Y195 PolarHBondContact N-O 3.1Å; Q179-Y195 PolarHBondContact O-N 2.82Å |
| 180 | L | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.7 | 165.8 | 177.9 | 66 | 0 | 0 | 0 | 108.3 | G172 Y173 F178 T182 I194 | G172-L180 CarbonylContact C-O 3.57Å; G172-L180 WeakPolarHBondContact CA-O 3.27Å; Y173-L180 PolarHBondContact N-O 2.83Å; Y173-L180 PolarHBondContact O-N 2.82Å; F178-L180 HydrophobicContact CE1-CB 3.74Å; F178-L180 HydrophobicContact CZ-CB 3.97Å; L180-T182 HydrophobicContact CD1-CG2 4.49Å; L180-I194 HydrophobicContact CD1-CG1 3.85Å |
| 181 | H | 97.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 12% | 0.116 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.5 | 173.4 | 170.8 | 62.7 | 0 | 0 | 0 | 109.3 | L10 G192 S193 | L10-H181 VanDerWaalsContact CB-CE1 3.42Å; L10-H181 WeakPolarHBondContact CB-CE1 3.34Å; H181-G192 CarbonylContact O-C 3.57Å; H181-G192 VanDerWaalsContact O-CA 3.29Å; H181-G192 WeakPolarHBondContact O-CA 3.42Å; H181-S193 PolarHBondContact N-O 2.9Å; H181-S193 PolarHBondContact O-N 2.9Å |
| 182 | T | 97.5 | Very high | 94.7 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.8 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 109 | A170 V171 L180 G191 | A170-T182 CarbonylContact C-O 3.52Å; A170-T182 WeakPolarHBondContact CA-O 3.18Å; V171-T182 PolarHBondContact N-O 2.84Å; V171-T182 PolarHBondContact O-N 3.38Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.23Å; L180-T182 HydrophobicContact CD1-CG2 4.49Å; T182-G191 CarbonylContact C-O 3.54Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.48Å |
| 183 | N | 96.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154 | 177 | 70.5 | -59.6 | 0 | 0 | 0 | 111.5 | F169 A170 N185 F190 G191 | F169-N183 CarbonylContact O-C 3.59Å; F169-N183 WeakPolarHBondContact O-CA 3.25Å; F169-N183 WeakPolarHBondContact O-CB 3.45Å; A170-N183 HydrophobicContact CB-CB 4.17Å; N183-N185 PolarHBondContact ND2-OD1 2.89Å; N183-F190 WeakPolarHBondContact O-CA 3.28Å; N183-G191 PolarHBondContact N-O 2.95Å; N183-G191 PolarHBondContact O-N 3.18Å; N183-G191 WeakPolarHBondContact OD1-CA 3.44Å; N183-G191 PolarHBondContact OD1-O 3.21Å |
| 184 | V | 97.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.9 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | N168 F169 E189 F190 | N168-V184 CarbonylContact C-O 3.56Å; N168-V184 VanDerWaalsContact CA-O 3.3Å; N168-V184 WeakPolarHBondContact CA-O 2.9Å; F169-V184 PolarHBondContact N-O 2.78Å; F169-V184 PolarHBondContact O-N 2.86Å; V184-E189 CarbonylContact C-O 3.54Å; V184-E189 WeakPolarHBondContact CA-O 3.49Å; V184-F190 HydrophobicContact CB-CD1 4.37Å; V184-F190 HydrophobicContact CB-CE1 4.35Å; V184-F190 HydrophobicContact CG1-CD1 4.04Å; V184-F190 HydrophobicContact CG1-CE1 3.7Å; V184-F190 HydrophobicContact CG1-CZ 3.99Å; V184-F190 HydrophobicContact CG2-CD1 3.62Å; V184-F190 HydrophobicContact CG2-CE1 3.71Å |
| 185 | N | 95.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.193 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | 175.5 | -52.3 | -24.5 | 0 | 0 | 0 | 109.2 | N168 N183 G187 T188 E189 | N168-N185 WeakPolarHBondContact OD1-CA 3.31Å; N168-N185 VanDerWaalsContact OD1-CB 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.46Å; N183-N185 PolarHBondContact ND2-OD1 2.89Å; N185-G187 PolarHBondContact O-N 3.31Å; N185-T188 PolarHBondContact O-N 2.89Å; N185-E189 HydrophobicContact CB-CB 4.2Å; N185-E189 PolarHBondContact N-O 3.04Å; N185-E189 PolarHBondContact O-N 2.73Å |
| 186 | D | 94.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 23.3 | 176.6 | -56.9 | -41.5 | 0 | 0 | 0 | 114.9 | Q166 S167 N168 T188 | Q166-D186 VanDerWaalsContact CA-OD1 3.27Å; Q166-D186 WeakPolarHBondContact CA-OD1 3.28Å; S167-D186 PolarHBondContact N-OD1 2.85Å; S167-D186 WeakPolarHBondContact O-CA 3.43Å; S167-D186 PolarHBondContact O-N 2.77Å; N168-D186 PolarHBondContact OD1-N 2.7Å; D186-T188 PolarHBondContact O-N 2.73Å |
| 187 | G | 91.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 55 Ų | 55 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 6.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N185 | N185-G187 PolarHBondContact O-N 3.31Š|
| 188 | T | 94.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -33.7 | -171 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | N185 D186 T211 A212 | N185-T188 PolarHBondContact O-N 2.89Å; D186-T188 PolarHBondContact O-N 2.73Å; T188-T211 CarbonylContact O-C 3.59Å; T188-T211 WeakPolarHBondContact O-CA 3.21Å; T188-A212 PolarHBondContact O-N 2.82Å |
| 189 | E | 94.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.5 | 175.9 | -55.2 | -173.2 | 153.6 | 0 | 0 | 110.6 | V184 N185 | V184-E189 CarbonylContact C-O 3.54Å; V184-E189 WeakPolarHBondContact CA-O 3.49Å; N185-E189 HydrophobicContact CB-CB 4.2Å; N185-E189 PolarHBondContact N-O 3.04Å; N185-E189 PolarHBondContact O-N 2.73Å |
| 190 | F | 95.9 | Very high | 96 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.1 | -179 | -62.5 | -98.9 | 0 | 0 | 0 | 108.8 | N183 V184 A209 W210 A212 | N183-F190 WeakPolarHBondContact O-CA 3.28Å; V184-F190 HydrophobicContact CB-CD1 4.37Å; V184-F190 HydrophobicContact CB-CE1 4.35Å; V184-F190 HydrophobicContact CG1-CD1 4.04Å; V184-F190 HydrophobicContact CG1-CE1 3.7Å; V184-F190 HydrophobicContact CG1-CZ 3.99Å; V184-F190 HydrophobicContact CG2-CD1 3.62Å; V184-F190 HydrophobicContact CG2-CE1 3.71Å; F190-A209 CarbonylContact O-C 3.5Å; F190-A209 VanDerWaalsContact O-CA 3.25Å; F190-A209 WeakPolarHBondContact O-CA 3.5Å; F190-W210 HydrophobicContact CB-CD2 3.58Å; F190-W210 HydrophobicContact CB-CE3 3.97Å; F190-W210 HydrophobicContact CB-CG 4.16Å; F190-W210 HydrophobicContact CB-CH2 3.8Å; F190-W210 HydrophobicContact CB-CZ2 3.38Å; F190-W210 HydrophobicContact CB-CZ3 4.07Å; F190-W210 HydrophobicContact CD1-CH2 4.46Å; F190-W210 AromaticContact CD1-CZ2 3.73Å; F190-W210 HydrophobicContact CD1-CZ2 3.73Å; F190-W210 AromaticContact CD2-CD1 3.91Å; F190-W210 AromaticContact CD2-CE2 3.89Å; F190-W210 HydrophobicContact CD2-CZ2 4.32Å; F190-W210 AromaticContact CD2-NE1 3.35Å; F190-W210 VanDerWaalsContact CD2-NE1 3.35Å; F190-W210 HydrophobicContact CG-CD2 4.29Å; F190-W210 AromaticContact CG-CE2 3.49Å; F190-W210 VanDerWaalsContact CG-CE2 3.49Å; F190-W210 HydrophobicContact CG-CH2 4.36Å; F190-W210 AromaticContact CG-CZ2 3.54Å; F190-W210 HydrophobicContact CG-CZ2 3.54Å; F190-W210 AromaticContact CG-NE1 3.48Å; F190-W210 PolarHBondContact N-O 2.92Å; F190-W210 PolarHBondContact O-N 2.87Å; F190-A212 HydrophobicContact CE2-CB 4.13Å |
| 191 | G | 96.1 | Very high | 96 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T182 N183 L208 | T182-G191 CarbonylContact C-O 3.54Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.48Å; N183-G191 PolarHBondContact N-O 2.95Å; N183-G191 PolarHBondContact O-N 3.18Å; N183-G191 WeakPolarHBondContact OD1-CA 3.44Å; N183-G191 PolarHBondContact OD1-O 3.21Å; G191-L208 CarbonylContact C-O 3.56Å; G191-L208 WeakPolarHBondContact CA-O 3.18Å |
| 192 | G | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 132.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | H181 N207 L208 | H181-G192 CarbonylContact O-C 3.57Å; H181-G192 VanDerWaalsContact O-CA 3.29Å; H181-G192 WeakPolarHBondContact O-CA 3.42Å; G192-N207 CarbonylContact O-C 3.58Å; G192-N207 WeakPolarHBondContact O-CA 3.3Å; G192-N207 PolarHBondContact O-OD1 2.91Å; G192-N207 VanDerWaalsContact O-OD1 3.04Å; G192-L208 PolarHBondContact N-O 2.92Å; G192-L208 PolarHBondContact O-N 3.03Å |
| 193 | S | 97.5 | Very high | 96 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.5 | 174.8 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | H181 V206 | H181-S193 PolarHBondContact N-O 2.9Å; H181-S193 PolarHBondContact O-N 2.9Å; S193-V206 CarbonylContact C-O 3.52Å; S193-V206 WeakPolarHBondContact CA-O 3.11Å; S193-V206 WeakPolarHBondContact CB-O 3.3Å |
| 194 | I | 97.9 | Very high | 96 | Very high | 65 Ų | 65 | 58 Ų | 58 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.3 | 173.9 | -63 | 172.2 | 0 | 0 | 0 | 106.5 | F178 Q179 L180 A205 V206 | F178-I194 HydrophobicContact CD2-CG2 4.17Å; F178-I194 HydrophobicContact CE2-CG2 3.44Å; F178-I194 VanDerWaalsContact CE2-CG2 3.44Å; F178-I194 HydrophobicContact CZ-CG2 4.14Å; Q179-I194 CarbonylContact O-C 3.53Å; Q179-I194 WeakPolarHBondContact O-CA 3.29Å; L180-I194 HydrophobicContact CD1-CG1 3.85Å; I194-A205 CarbonylContact O-C 3.55Å; I194-A205 WeakPolarHBondContact O-CA 3.3Å; I194-V206 HydrophobicContact CB-CB 4.36Å; I194-V206 PolarHBondContact N-O 2.97Å; I194-V206 PolarHBondContact O-N 2.93Å |
| 195 | Y | 98.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.4 | 169 | 170.4 | -94.8 | 0 | 0 | 0 | 108.8 | V17 F178 Q179 K197 E203 | V17-Y195 HydrophobicContact CG2-CD2 4Å; V17-Y195 HydrophobicContact CG2-CE2 3.82Å; F178-Y195 WeakPolarHBondContact CA-O 3.37Å; Q179-Y195 HydrophobicContact CB-CD1 4.45Å; Q179-Y195 HydrophobicContact CG-CD1 3.97Å; Q179-Y195 PolarHBondContact N-O 3.1Å; Q179-Y195 PolarHBondContact O-N 2.82Å; Y195-K197 HydrophobicContact CE1-CB 4.14Å; Y195-E203 HydrophobicContact CE2-CB 4.13Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 VanDerWaalsContact CE2-OE2 3.3Å; Y195-E203 WeakPolarHBondContact CE2-OE2 3.42Å; Y195-E203 PolarHBondContact OH-OE2 2.87Å |
| 196 | Q | 97.4 | Very high | 96.2 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.2 | 174.6 | -171.3 | 179.9 | 23.5 | 0 | 0 | 110.4 | E177 V198 E203 T204 | E177-Q196 CarbonylContact O-C 3.48Å; E177-Q196 WeakPolarHBondContact O-CA 3.29Å; Q196-V198 HydrophobicContact CG-CG2 4.13Å; Q196-V198 PolarHBondContact O-N 2.87Å; Q196-E203 WeakPolarHBondContact O-CA 3.42Å; Q196-T204 PolarHBondContact N-O 3.15Å; Q196-T204 PolarHBondContact O-N 2.77Å |
| 197 | K | 96.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 93.1 | 165.4 | -174.4 | 179.4 | -178.4 | -177.1 | 0 | 107.7 | E177 Y195 N199 E203 | E177-K197 PolarHBondContact O-N 2.83Å; Y195-K197 HydrophobicContact CE1-CB 4.14Å; K197-N199 WeakPolarHBondContact CG-O 3.29Å; K197-E203 HydrophobicContact CG-CG 4.4Å |
| 198 | V | 95.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | trans | -67.3 | -39.2 | -173.8 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | Q196 L202 T204 | Q196-V198 HydrophobicContact CG-CG2 4.13Å; Q196-V198 PolarHBondContact O-N 2.87Å; V198-L202 HydrophobicContact CB-CB 4.25Å; V198-L202 HydrophobicContact CB-CD2 4.09Å; V198-L202 HydrophobicContact CB-CG 4.12Å; V198-L202 HydrophobicContact CG1-CD2 4.16Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 4.25Å; V198-L202 PolarHBondContact N-O 3.26Å; V198-T204 HydrophobicContact CG2-CG2 3.92Å | ||
| 199 | N | 94.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -158.1 | -168.5 | 171.7 | 58.6 | 51.6 | 0 | 0 | 0 | 110 | K197 K201 L202 | K197-N199 WeakPolarHBondContact CG-O 3.29Å; N199-K201 PolarHBondContact O-N 2.84Å; N199-K201 WeakPolarHBondContact OD1-CA 3.35Å; N199-K201 PolarHBondContact OD1-N 2.79Å; N199-L202 PolarHBondContact N-O 2.89Å; N199-L202 PolarHBondContact OD1-N 3.14Å |
| 200 | S | 93.6 | Very high | 96.5 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -66.1 | -16.3 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 201 | K | 96.3 | Very high | 96.5 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -112.1 | -24.9 | -178.1 | -65.4 | -171.9 | 174.7 | -160.4 | 0 | 114.1 | N199 Y225 Q226 I227 | N199-K201 PolarHBondContact O-N 2.84Å; N199-K201 WeakPolarHBondContact OD1-CA 3.35Å; N199-K201 PolarHBondContact OD1-N 2.79Å; K201-Y225 HydrophobicContact CB-CD2 4.49Å; K201-Y225 HydrophobicContact CB-CE2 4.09Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.45Å; K201-Q226 HydrophobicContact CB-CB 4.4Å; K201-Q226 PolarHBondContact O-N 2.79Å; K201-I227 PolarHBondContact NZ-O 2.8Å |
| 202 | L | 96.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.6 | -172.6 | -179.5 | 62.5 | 0 | 0 | 0 | 111.4 | V198 N199 T204 A223 Y225 | V198-L202 HydrophobicContact CB-CB 4.25Å; V198-L202 HydrophobicContact CB-CD2 4.09Å; V198-L202 HydrophobicContact CB-CG 4.12Å; V198-L202 HydrophobicContact CG1-CD2 4.16Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 4.25Å; V198-L202 PolarHBondContact N-O 3.26Å; N199-L202 PolarHBondContact N-O 2.89Å; N199-L202 PolarHBondContact OD1-N 3.14Å; L202-T204 HydrophobicContact CD1-CG2 4.16Å; L202-T204 HydrophobicContact CD2-CG2 4.45Å; L202-T204 HydrophobicContact CG-CG2 4.13Å; L202-A223 HydrophobicContact CD1-CB 4.31Å; L202-Y225 HydrophobicContact CB-CD2 4.11Å; L202-Y225 HydrophobicContact CD1-CD2 4.1Å |
| 203 | E | 97.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.6 | 169.5 | -62.3 | 177.3 | -137.1 | 0 | 0 | 108.9 | V17 Y195 Q196 K197 A223 K224 | V17-E203 HydrophobicContact CG2-CB 4.28Å; Y195-E203 HydrophobicContact CE2-CB 4.13Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 VanDerWaalsContact CE2-OE2 3.3Å; Y195-E203 WeakPolarHBondContact CE2-OE2 3.42Å; Y195-E203 PolarHBondContact OH-OE2 2.87Å; Q196-E203 WeakPolarHBondContact O-CA 3.42Å; K197-E203 HydrophobicContact CG-CG 4.4Å; E203-A223 CarbonylContact O-C 3.52Å; E203-A223 WeakPolarHBondContact O-CA 3.17Å; E203-K224 PolarHBondContact N-O 2.93Å; E203-K224 PolarHBondContact O-N 2.79Å |
| 204 | T | 98.1 | Very high | 95.5 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152.6 | 177.6 | 65 | 0 | 0 | 0 | 0 | 110.4 | Q196 V198 L202 A222 A223 | Q196-T204 PolarHBondContact N-O 3.15Å; Q196-T204 PolarHBondContact O-N 2.77Å; V198-T204 HydrophobicContact CG2-CG2 3.92Å; L202-T204 HydrophobicContact CD1-CG2 4.16Å; L202-T204 HydrophobicContact CD2-CG2 4.45Å; L202-T204 HydrophobicContact CG-CG2 4.13Å; T204-A222 CarbonylContact C-O 3.58Å; T204-A222 WeakPolarHBondContact CA-O 3.29Å; T204-A223 HydrophobicContact CG2-CB 4.22Å |
| 205 | A | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A14 V17 F18 I194 A222 | A14-A205 HydrophobicContact CB-CB 4.03Å; V17-A205 HydrophobicContact CB-CB 3.79Å; V17-A205 HydrophobicContact CG1-CB 3.97Å; V17-A205 HydrophobicContact CG2-CB 4.24Å; F18-A205 HydrophobicContact CD2-CB 3.95Å; F18-A205 HydrophobicContact CE2-CB 3.59Å; I194-A205 CarbonylContact O-C 3.55Å; I194-A205 WeakPolarHBondContact O-CA 3.3Å; A205-A222 PolarHBondContact N-O 2.74Å; A205-A222 PolarHBondContact O-N 3.21Å |
| 206 | V | 98 | Very high | 94.6 | Very high | 41 Ų | 41 | 71.6 Ų | 71.6 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.7 | 170.4 | 174.5 | 0 | 0 | 0 | 0 | 107.8 | S193 I194 F219 G220 | S193-V206 CarbonylContact C-O 3.52Å; S193-V206 WeakPolarHBondContact CA-O 3.11Å; S193-V206 WeakPolarHBondContact CB-O 3.3Å; I194-V206 HydrophobicContact CB-CB 4.36Å; I194-V206 PolarHBondContact N-O 2.97Å; I194-V206 PolarHBondContact O-N 2.93Å; V206-F219 HydrophobicContact CG1-CD2 4.01Å; V206-F219 HydrophobicContact CG1-CE2 3.47Å; V206-F219 VanDerWaalsContact CG1-CE2 3.47Å; V206-F219 HydrophobicContact CG1-CZ 4.49Å; V206-G220 WeakPolarHBondContact CA-O 3.44Å |
| 207 | N | 96.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.1 | 173.4 | -163.8 | 13.8 | 0 | 0 | 0 | 110.1 | F18 G192 F219 G220 | F18-N207 HydrophobicContact CD2-CB 4.43Å; F18-N207 HydrophobicContact CE2-CB 3.81Å; F18-N207 HydrophobicContact CZ-CB 3.93Å; G192-N207 CarbonylContact O-C 3.58Å; G192-N207 WeakPolarHBondContact O-CA 3.3Å; G192-N207 PolarHBondContact O-OD1 2.91Å; G192-N207 VanDerWaalsContact O-OD1 3.04Å; N207-F219 CarbonylContact O-C 3.55Å; N207-F219 WeakPolarHBondContact O-CA 3.48Å; N207-G220 PolarHBondContact N-O 3.35Å; N207-G220 PolarHBondContact O-N 2.96Å |
| 208 | L | 95.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 34% | 0.335 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.3 | -178.4 | -73.4 | 164.3 | 0 | 0 | 0 | 107.6 | G191 G192 T217 R218 F219 | G191-L208 CarbonylContact C-O 3.56Å; G191-L208 WeakPolarHBondContact CA-O 3.18Å; G192-L208 PolarHBondContact N-O 2.92Å; G192-L208 PolarHBondContact O-N 3.03Å; L208-T217 HydrophobicContact CD2-CG2 4.18Å; L208-R218 CarbonylContact C-O 3.5Å; L208-R218 WeakPolarHBondContact CA-O 3.47Å; L208-F219 HydrophobicContact CD2-CB 3.95Å; L208-F219 HydrophobicContact CD2-CD2 3.51Å; L208-F219 HydrophobicContact CD2-CE2 4.44Å; L208-F219 HydrophobicContact CD2-CG 4.17Å; L208-F219 HydrophobicContact CG-CD2 4.14Å |
| 209 | A | 95.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 74.6 Ų | 74.6 | 30% | 0.298 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F190 R218 | F190-A209 CarbonylContact O-C 3.5Å; F190-A209 VanDerWaalsContact O-CA 3.25Å; F190-A209 WeakPolarHBondContact O-CA 3.5Å; A209-R218 HydrophobicContact CB-CB 4.46Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.39Å |
| 210 | W | 94.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 71.3 Ų | 71.3 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162.8 | 171.9 | 76 | 87.4 | 0 | 0 | 0 | 110.7 | F190 | F190-W210 HydrophobicContact CB-CD2 3.58Å; F190-W210 HydrophobicContact CB-CE3 3.97Å; F190-W210 HydrophobicContact CB-CG 4.16Å; F190-W210 HydrophobicContact CB-CH2 3.8Å; F190-W210 HydrophobicContact CB-CZ2 3.38Å; F190-W210 HydrophobicContact CB-CZ3 4.07Å; F190-W210 HydrophobicContact CD1-CH2 4.46Å; F190-W210 AromaticContact CD1-CZ2 3.73Å; F190-W210 HydrophobicContact CD1-CZ2 3.73Å; F190-W210 AromaticContact CD2-CD1 3.91Å; F190-W210 AromaticContact CD2-CE2 3.89Å; F190-W210 HydrophobicContact CD2-CZ2 4.32Å; F190-W210 AromaticContact CD2-NE1 3.35Å; F190-W210 VanDerWaalsContact CD2-NE1 3.35Å; F190-W210 HydrophobicContact CG-CD2 4.29Å; F190-W210 AromaticContact CG-CE2 3.49Å; F190-W210 VanDerWaalsContact CG-CE2 3.49Å; F190-W210 HydrophobicContact CG-CH2 4.36Å; F190-W210 AromaticContact CG-CZ2 3.54Å; F190-W210 HydrophobicContact CG-CZ2 3.54Å; F190-W210 AromaticContact CG-NE1 3.48Å; F190-W210 PolarHBondContact N-O 2.92Å; F190-W210 PolarHBondContact O-N 2.87Å |
| 211 | T | 94.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 70.1 Ų | 70.1 | 31% | 0.307 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.8 | -179.6 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | T188 G213 N214 | T188-T211 CarbonylContact O-C 3.59Å; T188-T211 WeakPolarHBondContact O-CA 3.21Å; T211-G213 PolarHBondContact O-N 2.85Å; T211-N214 PolarHBondContact O-N 3.16Å |
| 212 | A | 91.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 137.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T188 F190 N214 | T188-A212 PolarHBondContact O-N 2.82Å; F190-A212 HydrophobicContact CE2-CB 4.13Å; A212-N214 PolarHBondContact O-N 2.91Å |
| 213 | G | 90.3 | Very high | 94.6 | Very high | 98 Ų | 98 | 65 Ų | 65 | 100% | 1.01 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T211 | T211-G213 PolarHBondContact O-N 2.85Š|
| 214 | N | 89.3 | Confident | 94.7 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | trans | -119.3 | 129.1 | 173.1 | -165 | -29.6 | 0 | 0 | 0 | 110.2 | T211 A212 N216 | T211-N214 PolarHBondContact O-N 3.16Å; A212-N214 PolarHBondContact O-N 2.91Å; N214-N216 VanDerWaalsContact C-N 3.26Å; N214-N216 PolarHBondContact O-N 3.02Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.49Å; N214-N216 PolarHBondContact OD1-N 2.92Å; N214-N216 PolarHBondContact OD1-ND2 2.9Å | ||
| 215 | S | 86.5 | Confident | 94.7 | Very high | 115 Ų | 115 | 68.9 Ų | 68.9 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | trans | -75.8 | -14.8 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | T217 | S215-T217 PolarHBondContact O-N 3.49Š| ||
| 216 | N | 89.1 | Confident | 94.6 | Very high | 113 Ų | 113 | 72.9 Ų | 72.9 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 119.6 | -178.1 | -65.5 | -52.2 | 0 | 0 | 0 | 110.9 | N214 | N214-N216 VanDerWaalsContact C-N 3.26Å; N214-N216 PolarHBondContact O-N 3.02Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.49Å; N214-N216 PolarHBondContact OD1-N 2.92Å; N214-N216 PolarHBondContact OD1-ND2 2.9Å |
| 217 | T | 91.8 | Very high | 94.5 | Very high | 66 Ų | 66 | 74 Ų | 74 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.6 | 169.4 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | L208 S215 N239 | L208-T217 HydrophobicContact CD2-CG2 4.18Å; S215-T217 PolarHBondContact O-N 3.49Å; T217-N239 PolarHBondContact O-ND2 2.79Å |
| 218 | R | 94 | Very high | 94.5 | Very high | 179 Ų | 179 | 74.2 Ų | 74.2 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.9 | 167.6 | -62.9 | 175.8 | -173.9 | 146.5 | 1.8 | 108.1 | L208 A209 | L208-R218 CarbonylContact C-O 3.5Å; L208-R218 WeakPolarHBondContact CA-O 3.47Å; A209-R218 HydrophobicContact CB-CB 4.46Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.39Å |
| 219 | F | 94.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 75.6 Ų | 75.6 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.4 | -177.3 | 163.8 | -104.4 | 0 | 0 | 0 | 109.8 | V206 N207 L208 I221 N238 N239 | V206-F219 HydrophobicContact CG1-CD2 4.01Å; V206-F219 HydrophobicContact CG1-CE2 3.47Å; V206-F219 VanDerWaalsContact CG1-CE2 3.47Å; V206-F219 HydrophobicContact CG1-CZ 4.49Å; N207-F219 CarbonylContact O-C 3.55Å; N207-F219 WeakPolarHBondContact O-CA 3.48Å; L208-F219 HydrophobicContact CD2-CB 3.95Å; L208-F219 HydrophobicContact CD2-CD2 3.51Å; L208-F219 HydrophobicContact CD2-CE2 4.44Å; L208-F219 HydrophobicContact CD2-CG 4.17Å; L208-F219 HydrophobicContact CG-CD2 4.14Å; F219-I221 HydrophobicContact CE1-CD1 3.71Å; F219-I221 HydrophobicContact CE1-CG1 3.54Å; F219-I221 HydrophobicContact CE2-CG1 4Å; F219-I221 HydrophobicContact CZ-CD1 3.49Å; F219-I221 VanDerWaalsContact CZ-CD1 3.49Å; F219-I221 HydrophobicContact CZ-CG1 3.19Å; F219-N238 CarbonylContact O-C 3.53Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.29Å; F219-N238 WeakPolarHBondContact O-CB 3.22Å; F219-N239 HydrophobicContact CB-CB 4.41Å; F219-N239 PolarHBondContact N-OD1 3.28Å; F219-N239 PolarHBondContact O-N 3.47Å; F219-N239 PolarHBondContact O-OD1 2.94Å |
| 220 | G | 97.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 77.4 Ų | 77.4 | 7% | 0.072 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F18 V206 N207 V237 | F18-G220 WeakPolarHBondContact CZ-O 3.15Å; V206-G220 WeakPolarHBondContact CA-O 3.44Å; N207-G220 PolarHBondContact N-O 3.35Å; N207-G220 PolarHBondContact O-N 2.96Å; G220-V237 CarbonylContact C-O 3.53Å; G220-V237 WeakPolarHBondContact CA-O 3.29Å |
| 221 | I | 98.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 171.9 | -50.8 | 174.2 | 0 | 0 | 0 | 106.7 | F219 K236 V237 | F219-I221 HydrophobicContact CE1-CD1 3.71Å; F219-I221 HydrophobicContact CE1-CG1 3.54Å; F219-I221 HydrophobicContact CE2-CG1 4Å; F219-I221 HydrophobicContact CZ-CD1 3.49Å; F219-I221 VanDerWaalsContact CZ-CD1 3.49Å; F219-I221 HydrophobicContact CZ-CG1 3.19Å; I221-K236 CarbonylContact O-C 3.59Å; I221-K236 WeakPolarHBondContact O-CA 3.44Å; I221-K236 WeakPolarHBondContact O-CB 3.29Å; I221-V237 HydrophobicContact CB-CG2 4.13Å; I221-V237 PolarHBondContact N-O 3.24Å; I221-V237 PolarHBondContact O-N 3.28Å |
| 222 | A | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V17 F18 T204 A205 A235 K236 | V17-A222 HydrophobicContact CG1-CB 3.77Å; F18-A222 HydrophobicContact CD1-CB 3.65Å; F18-A222 HydrophobicContact CD2-CB 3.94Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.84Å; F18-A222 HydrophobicContact CZ-CB 3.61Å; T204-A222 CarbonylContact C-O 3.58Å; T204-A222 WeakPolarHBondContact CA-O 3.29Å; A205-A222 PolarHBondContact N-O 2.74Å; A205-A222 PolarHBondContact O-N 3.21Å; A222-A235 CarbonylContact C-O 3.57Å; A222-A235 VanDerWaalsContact CA-O 3.28Å; A222-A235 WeakPolarHBondContact CA-O 3.31Å; A222-K236 HydrophobicContact CB-CB 3.66Å |
| 223 | A | 98.2 | Very high | 95 | Very high | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L202 E203 T204 S234 A235 | L202-A223 HydrophobicContact CD1-CB 4.31Å; E203-A223 CarbonylContact O-C 3.52Å; E203-A223 WeakPolarHBondContact O-CA 3.17Å; T204-A223 HydrophobicContact CG2-CB 4.22Å; A223-S234 CarbonylContact O-C 3.51Å; A223-S234 WeakPolarHBondContact O-CA 3.46Å; A223-A235 PolarHBondContact N-O 3.36Å; A223-A235 PolarHBondContact O-N 3.44Å |
| 224 | K | 98.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 30% | 0.3 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.1 | 170.1 | -179.5 | -174.3 | 174 | -159.8 | 0 | 107.8 | V17 E203 | V17-K224 HydrophobicContact CG1-CB 4.3Å; E203-K224 PolarHBondContact N-O 2.93Å; E203-K224 PolarHBondContact O-N 2.79Å |
| 225 | Y | 97.9 | Very high | 95.8 | Very high | 103 Ų | 103 | 65 Ų | 65 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.6 | -179.5 | -173.3 | -108.4 | 0 | 0 | 0 | 110 | K201 L202 I227 S232 F233 | K201-Y225 HydrophobicContact CB-CD2 4.49Å; K201-Y225 HydrophobicContact CB-CE2 4.09Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.45Å; L202-Y225 HydrophobicContact CB-CD2 4.11Å; L202-Y225 HydrophobicContact CD1-CD2 4.1Å; Y225-I227 HydrophobicContact CD1-CG1 3.88Å; Y225-I227 HydrophobicContact CE1-CG1 4.15Å; Y225-I227 PolarHBondContact O-N 2.82Å; Y225-S232 CarbonylContact O-C 3.55Å; Y225-S232 WeakPolarHBondContact O-CA 3.42Å; Y225-F233 PolarHBondContact N-O 2.9Å; Y225-F233 PolarHBondContact O-N 3.06Å |
| 226 | Q | 97.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 110.1 | 171 | -175.7 | 172.2 | 0.5 | 0 | 0 | 108.9 | K201 D228 | K201-Q226 HydrophobicContact CB-CB 4.4Å; K201-Q226 PolarHBondContact O-N 2.79Å; Q226-D228 WeakPolarHBondContact CG-O 3.49Å; Q226-D228 PolarHBondContact NE2-O 2.86Å |
| 227 | I | 96.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | trans | -71.3 | -52.4 | -178.5 | -62 | 167.4 | 0 | 0 | 0 | 108.3 | K201 Y225 A231 F233 Y247 | K201-I227 PolarHBondContact NZ-O 2.8Å; Y225-I227 HydrophobicContact CD1-CG1 3.88Å; Y225-I227 HydrophobicContact CE1-CG1 4.15Å; Y225-I227 PolarHBondContact O-N 2.82Å; I227-A231 HydrophobicContact CB-CB 4.15Å; I227-A231 HydrophobicContact CD1-CB 4.34Å; I227-A231 PolarHBondContact N-O 2.89Å; I227-F233 HydrophobicContact CD1-CB 4.12Å; I227-Y247 HydrophobicContact CD1-CD2 4.48Å; I227-Y247 HydrophobicContact CD1-CE2 3.76Å | ||
| 228 | D | 95.3 | Very high | 97 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -148.3 | -163.9 | 178.3 | 59 | 47.4 | 0 | 0 | 0 | 111.3 | Q226 D230 A231 | Q226-D228 WeakPolarHBondContact CG-O 3.49Å; Q226-D228 PolarHBondContact NE2-O 2.86Å; D228-D230 PolarHBondContact O-N 3.26Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 2.93Å; D228-A231 PolarHBondContact N-O 2.95Å; D228-A231 WeakPolarHBondContact OD1-CB 3.29Å; D228-A231 PolarHBondContact OD1-N 2.98Å |
| 229 | S | 93.8 | Very high | 97 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -65.3 | -24.7 | 179.5 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||
| 230 | D | 96.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -117.9 | -13.5 | -168.5 | -67.7 | -57.3 | 0 | 0 | 0 | 113.4 | D228 Q249 N250 | D228-D230 PolarHBondContact O-N 3.26Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 2.93Å; D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 WeakPolarHBondContact O-CA 3.32Å; D230-Q249 PolarHBondContact O-NE2 2.79Å; D230-N250 HydrophobicContact CB-CB 4Å; D230-N250 PolarHBondContact O-N 3.28Å; D230-N250 PolarHBondContact OD1-ND2 2.84Å |
| 231 | A | 97.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I227 D228 T248 | I227-A231 HydrophobicContact CB-CB 4.15Å; I227-A231 HydrophobicContact CD1-CB 4.34Å; I227-A231 PolarHBondContact N-O 2.89Å; D228-A231 PolarHBondContact N-O 2.95Å; D228-A231 WeakPolarHBondContact OD1-CB 3.29Å; D228-A231 PolarHBondContact OD1-N 2.98Å; A231-T248 CarbonylContact C-O 3.44Å; A231-T248 WeakPolarHBondContact CA-O 3.21Å |
| 232 | S | 97.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.8 | 170.1 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | Y225 T248 | Y225-S232 CarbonylContact O-C 3.55Å; Y225-S232 WeakPolarHBondContact O-CA 3.42Å; S232-T248 PolarHBondContact N-O 2.87Å; S232-T248 PolarHBondContact O-N 3Å |
| 233 | F | 98 | Very high | 96.6 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.9 | 177.3 | -179.9 | -105.6 | 0 | 0 | 0 | 109.8 | Y225 I227 A235 L245 G246 Y247 | Y225-F233 PolarHBondContact N-O 2.9Å; Y225-F233 PolarHBondContact O-N 3.06Å; I227-F233 HydrophobicContact CD1-CB 4.12Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.29Å; F233-L245 HydrophobicContact CZ-CD2 4.01Å; F233-G246 CarbonylContact C-O 3.55Å; F233-G246 WeakPolarHBondContact CA-O 3.41Å; F233-G246 VanDerWaalsContact CD2-O 3.31Å; F233-G246 WeakPolarHBondContact CD2-O 3.3Å; F233-Y247 HydrophobicContact CD2-CD2 4.36Å |
| 234 | S | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.3 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | Y22 A223 L245 G246 | Y22-S234 VanDerWaalsContact OH-CB 3.26Å; Y22-S234 WeakPolarHBondContact OH-CB 3.44Å; Y22-S234 PolarHBondContact OH-O 3.49Å; A223-S234 CarbonylContact O-C 3.51Å; A223-S234 WeakPolarHBondContact O-CA 3.46Å; S234-L245 CarbonylContact O-C 3.53Å; S234-G246 PolarHBondContact N-O 3.04Å; S234-G246 PolarHBondContact O-N 3.11Å |
| 235 | A | 98.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y22 A222 A223 F233 G244 L245 | Y22-A235 WeakPolarHBondContact OH-CA 3.44Å; Y22-A235 PolarHBondContact OH-N 2.98Å; Y22-A235 VanDerWaalsContact OH-N 3.12Å; Y22-A235 PolarHBondContact OH-O 3.07Å; A222-A235 CarbonylContact C-O 3.57Å; A222-A235 VanDerWaalsContact CA-O 3.28Å; A222-A235 WeakPolarHBondContact CA-O 3.31Å; A223-A235 PolarHBondContact N-O 3.36Å; A223-A235 PolarHBondContact O-N 3.44Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.29Å; A235-G244 CarbonylContact C-O 3.54Å; A235-G244 VanDerWaalsContact CA-O 3.3Å; A235-G244 WeakPolarHBondContact CA-O 3.42Å; A235-L245 HydrophobicContact CB-CD2 4.24Å |
| 236 | K | 98 | Very high | 96.6 | Very high | 45 Ų | 45 | 51 Ų | 51 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.1 | 173.2 | 65.6 | -179.8 | 173.9 | -176.6 | 0 | 111.5 | F18 Y22 I221 A222 I243 G244 | F18-K236 HydrophobicContact CD1-CB 4.36Å; F18-K236 HydrophobicContact CD1-CD 4.09Å; F18-K236 HydrophobicContact CE1-CB 4.45Å; F18-K236 PolarHBondContact O-NZ 3.12Å; Y22-K236 HydrophobicContact CD2-CD 4.43Å; Y22-K236 HydrophobicContact CE1-CG 4.38Å; Y22-K236 HydrophobicContact CE2-CD 3.94Å; Y22-K236 HydrophobicContact CE2-CG 4.43Å; Y22-K236 PolarHBondContact OH-N 3.43Å; I221-K236 CarbonylContact O-C 3.59Å; I221-K236 WeakPolarHBondContact O-CA 3.44Å; I221-K236 WeakPolarHBondContact O-CB 3.29Å; A222-K236 HydrophobicContact CB-CB 3.66Å; K236-I243 CarbonylContact O-C 3.52Å; K236-I243 WeakPolarHBondContact O-CA 3.15Å; K236-G244 PolarHBondContact N-O 3.01Å; K236-G244 PolarHBondContact O-N 3Å |
| 237 | V | 97.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.4 | 175.3 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | G220 I221 L242 I243 | G220-V237 CarbonylContact C-O 3.53Å; G220-V237 WeakPolarHBondContact CA-O 3.29Å; I221-V237 HydrophobicContact CB-CG2 4.13Å; I221-V237 PolarHBondContact N-O 3.24Å; I221-V237 PolarHBondContact O-N 3.28Å; V237-L242 VanDerWaalsContact CA-O 3.3Å; V237-L242 WeakPolarHBondContact CA-O 3.41Å; V237-I243 HydrophobicContact CG1-CB 4.42Å; V237-I243 HydrophobicContact CG1-CG1 4.1Å; V237-I243 HydrophobicContact CG1-CG2 4.17Å |
| 238 | N | 96.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 168 | 170.6 | 73.7 | 13.6 | 0 | 0 | 0 | 112 | F219 S240 S241 L242 | F219-N238 CarbonylContact O-C 3.53Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.29Å; F219-N238 WeakPolarHBondContact O-CB 3.22Å; N238-S240 PolarHBondContact O-N 2.92Å; N238-S240 VanDerWaalsContact O-N 3.12Å; N238-S240 WeakPolarHBondContact OD1-CA 3.33Å; N238-S240 WeakPolarHBondContact OD1-CB 3.49Å; N238-S240 PolarHBondContact OD1-N 3.23Å; N238-S241 PolarHBondContact O-N 2.84Å; N238-S241 PolarHBondContact OD1-N 3.27Å; N238-L242 PolarHBondContact N-O 3.02Å; N238-L242 VanDerWaalsContact N-O 3.15Å; N238-L242 WeakPolarHBondContact OD1-CB 3.36Å; N238-L242 PolarHBondContact OD1-N 2.99Å |
| 239 | N | 93.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 5.7 | 179 | 73.6 | -38.8 | 0 | 0 | 0 | 114.5 | T217 F219 S241 | T217-N239 PolarHBondContact O-ND2 2.79Å; F219-N239 HydrophobicContact CB-CB 4.41Å; F219-N239 PolarHBondContact N-OD1 3.28Å; F219-N239 PolarHBondContact O-N 3.47Å; F219-N239 PolarHBondContact O-OD1 2.94Å; N239-S241 VanDerWaalsContact C-N 3.3Å |
| 240 | S | 92.9 | Very high | 97 | Very high | 59 Ų | 59 | 46 Ų | 46 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.5 | 164.7 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | N238 L242 | N238-S240 PolarHBondContact O-N 2.92Å; N238-S240 VanDerWaalsContact O-N 3.12Å; N238-S240 WeakPolarHBondContact OD1-CA 3.33Å; N238-S240 WeakPolarHBondContact OD1-CB 3.49Å; N238-S240 PolarHBondContact OD1-N 3.23Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.22Å |
| 241 | S | 94.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | trans | 66.1 | 23.2 | -177.6 | -48.5 | 0 | 0 | 0 | 0 | 114 | N238 N239 G265 | N238-S241 PolarHBondContact O-N 2.84Å; N238-S241 PolarHBondContact OD1-N 3.27Å; N239-S241 VanDerWaalsContact C-N 3.3Å; S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.25Å; S241-G265 PolarHBondContact O-N 3.34Å | ||
| 242 | L | 96.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.5 | 172.8 | -61.6 | 178.3 | 0 | 0 | 0 | 110.2 | V237 N238 S240 L262 L263 D264 | V237-L242 VanDerWaalsContact CA-O 3.3Å; V237-L242 WeakPolarHBondContact CA-O 3.41Å; N238-L242 PolarHBondContact N-O 3.02Å; N238-L242 VanDerWaalsContact N-O 3.15Å; N238-L242 WeakPolarHBondContact OD1-CB 3.36Å; N238-L242 PolarHBondContact OD1-N 2.99Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.22Å; L242-L262 HydrophobicContact CB-CD1 4.23Å; L242-L263 WeakPolarHBondContact CA-O 3.39Å; L242-D264 HydrophobicContact CD2-CB 4.19Å |
| 243 | I | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.1 | 178.6 | -53.7 | 173.9 | 0 | 0 | 0 | 108.2 | K236 V237 L245 L262 L263 | K236-I243 CarbonylContact O-C 3.52Å; K236-I243 WeakPolarHBondContact O-CA 3.15Å; V237-I243 HydrophobicContact CG1-CB 4.42Å; V237-I243 HydrophobicContact CG1-CG1 4.1Å; V237-I243 HydrophobicContact CG1-CG2 4.17Å; I243-L245 HydrophobicContact CG2-CD2 4.09Å; I243-L245 HydrophobicContact CG2-CG 4.33Å; I243-L262 CarbonylContact O-C 3.57Å; I243-L262 WeakPolarHBondContact O-CA 3.29Å; I243-L263 HydrophobicContact CB-CB 4.36Å; I243-L263 PolarHBondContact N-O 2.96Å; I243-L263 PolarHBondContact O-N 2.79Å |
| 244 | G | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | A235 K236 A261 | A235-G244 CarbonylContact C-O 3.54Å; A235-G244 VanDerWaalsContact CA-O 3.3Å; A235-G244 WeakPolarHBondContact CA-O 3.42Å; K236-G244 PolarHBondContact N-O 3.01Å; K236-G244 PolarHBondContact O-N 3Å; G244-A261 CarbonylContact C-O 3.6Å; G244-A261 WeakPolarHBondContact CA-O 3.19Å |
| 245 | L | 98.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 58 Ų | 58 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.6 | 175.6 | -55.1 | 178.1 | 0 | 0 | 0 | 109.2 | F233 S234 A235 I243 S260 A261 L263 | F233-L245 HydrophobicContact CZ-CD2 4.01Å; S234-L245 CarbonylContact O-C 3.53Å; A235-L245 HydrophobicContact CB-CD2 4.24Å; I243-L245 HydrophobicContact CG2-CD2 4.09Å; I243-L245 HydrophobicContact CG2-CG 4.33Å; L245-S260 CarbonylContact O-C 3.52Å; L245-S260 WeakPolarHBondContact O-CA 3.48Å; L245-S260 WeakPolarHBondContact O-CB 3.34Å; L245-A261 PolarHBondContact N-O 3.21Å; L245-A261 PolarHBondContact O-N 3.02Å; L245-L263 HydrophobicContact CD1-CD1 4.28Å |
| 246 | G | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 131.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F233 S234 L259 | F233-G246 CarbonylContact C-O 3.55Å; F233-G246 WeakPolarHBondContact CA-O 3.41Å; F233-G246 VanDerWaalsContact CD2-O 3.31Å; F233-G246 WeakPolarHBondContact CD2-O 3.3Å; S234-G246 PolarHBondContact N-O 3.04Å; S234-G246 PolarHBondContact O-N 3.11Å; G246-L259 CarbonylContact C-O 3.58Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.2Å |
| 247 | Y | 98.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125 | 173.2 | -175.2 | -97.9 | 0 | 0 | 0 | 108.4 | I227 F233 Q249 T258 L259 | I227-Y247 HydrophobicContact CD1-CD2 4.48Å; I227-Y247 HydrophobicContact CD1-CE2 3.76Å; F233-Y247 HydrophobicContact CD2-CD2 4.36Å; Y247-Q249 HydrophobicContact CD1-CB 4.45Å; Y247-Q249 HydrophobicContact CE1-CB 3.8Å; Y247-Q249 PolarHBondContact OH-OE1 2.82Å; Y247-T258 CarbonylContact O-C 3.55Å; Y247-T258 WeakPolarHBondContact O-CA 3.46Å; Y247-L259 PolarHBondContact N-O 3.36Å; Y247-L259 PolarHBondContact O-N 2.83Å |
| 248 | T | 98 | Very high | 96.1 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.4 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | A231 S232 K256 L257 | A231-T248 CarbonylContact C-O 3.44Å; A231-T248 WeakPolarHBondContact CA-O 3.21Å; S232-T248 PolarHBondContact N-O 2.87Å; S232-T248 PolarHBondContact O-N 3Å; T248-K256 HydrophobicContact CG2-CD 3.62Å; T248-K256 HydrophobicContact CG2-CG 3.59Å; T248-L257 CarbonylContact C-O 3.56Å; T248-L257 WeakPolarHBondContact CA-O 3.25Å |
| 249 | Q | 97.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.7 | -179.5 | -176 | 69.4 | 55.3 | 0 | 0 | 110.2 | D230 Y247 I251 K256 L257 | D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 WeakPolarHBondContact O-CA 3.32Å; D230-Q249 PolarHBondContact O-NE2 2.79Å; Y247-Q249 HydrophobicContact CD1-CB 4.45Å; Y247-Q249 HydrophobicContact CE1-CB 3.8Å; Y247-Q249 PolarHBondContact OH-OE1 2.82Å; Q249-I251 HydrophobicContact CG-CG1 4.49Å; Q249-I251 PolarHBondContact O-N 3.48Å; Q249-K256 WeakPolarHBondContact O-CA 3.37Å; Q249-L257 PolarHBondContact N-O 2.92Å; Q249-L257 PolarHBondContact O-N 3.24Å |
| 250 | N | 96.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.5 | 161.2 | -58.8 | -31.8 | 0 | 0 | 0 | 107.5 | D230 V255 | D230-N250 HydrophobicContact CB-CB 4Å; D230-N250 PolarHBondContact O-N 3.28Å; D230-N250 PolarHBondContact OD1-ND2 2.84Å; N250-V255 CarbonylContact C-O 3.5Å; N250-V255 WeakPolarHBondContact CA-O 3.4Å |
| 251 | I | 94.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -40.9 | -178.9 | -60.1 | 177.3 | 0 | 0 | 0 | 109.9 | Q249 V255 L257 | Q249-I251 HydrophobicContact CG-CG1 4.49Å; Q249-I251 PolarHBondContact O-N 3.48Å; I251-V255 HydrophobicContact CB-CG1 4.47Å; I251-V255 PolarHBondContact N-O 2.86Å; I251-L257 HydrophobicContact CD1-CB 3.55Å; I251-L257 HydrophobicContact CD1-CD2 3.98Å; I251-L257 HydrophobicContact CD1-CG 4.38Å; I251-L257 HydrophobicContact CG1-CB 4.05Å |
| 252 | K | 93.3 | Very high | 96.8 | Very high | 144 Ų | 144 | 51.9 Ų | 51.9 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 162.8 | 176.4 | -74.3 | -63.8 | -177.6 | -179.9 | 0 | 108.7 | G254 V255 | K252-G254 PolarHBondContact O-N 2.74Å; K252-G254 VanDerWaalsContact O-N 3.15Å; K252-V255 HydrophobicContact CB-CB 4.25Å; K252-V255 HydrophobicContact CB-CG2 4.26Å; K252-V255 PolarHBondContact O-N 2.99Å |
| 253 | P | 92.7 | Very high | 96.8 | Very high | 130 Ų | 130 | 51 Ų | 51 | 84% | 0.844 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 123.7 | 167.4 | -26.4 | 35.6 | 0 | 0 | 0 | 110.1 | V255 | P253-V255 VanDerWaalsContact C-N 3.32Å; P253-V255 PolarHBondContact O-N 3.05Å |
| 254 | G | 92.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 50 Ų | 50 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 0.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K252 F281 Q282 | K252-G254 PolarHBondContact O-N 2.74Å; K252-G254 VanDerWaalsContact O-N 3.15Å; G254-F281 CarbonylContact O-C 3.58Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.25Å; G254-Q282 VanDerWaalsContact CA-O 3.3Å; G254-Q282 WeakPolarHBondContact CA-O 3.45Å; G254-Q282 PolarHBondContact O-N 3Å |
| 255 | V | 96.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.5 | 177.6 | -174 | 0 | 0 | 0 | 0 | 110.6 | N250 I251 K252 P253 E280 F281 | N250-V255 CarbonylContact C-O 3.5Å; N250-V255 WeakPolarHBondContact CA-O 3.4Å; I251-V255 HydrophobicContact CB-CG1 4.47Å; I251-V255 PolarHBondContact N-O 2.86Å; K252-V255 HydrophobicContact CB-CB 4.25Å; K252-V255 HydrophobicContact CB-CG2 4.26Å; K252-V255 PolarHBondContact O-N 2.99Å; P253-V255 VanDerWaalsContact C-N 3.32Å; P253-V255 PolarHBondContact O-N 3.05Å; V255-E280 WeakPolarHBondContact CA-O 3.42Å; V255-F281 HydrophobicContact CG1-CD1 4.23Å; V255-F281 HydrophobicContact CG1-CE1 3.91Å; V255-F281 HydrophobicContact CG1-CZ 4.37Å; V255-F281 HydrophobicContact CG2-CD1 3.81Å; V255-F281 HydrophobicContact CG2-CE1 4.01Å |
| 256 | K | 97 | Very high | 96.2 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 27% | 0.274 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.4 | -179.3 | -177.6 | -168.3 | -61.7 | 153.7 | 0 | 110.9 | T248 Q249 L279 E280 | T248-K256 HydrophobicContact CG2-CD 3.62Å; T248-K256 HydrophobicContact CG2-CG 3.59Å; Q249-K256 WeakPolarHBondContact O-CA 3.37Å; K256-L279 WeakPolarHBondContact O-CA 3.31Å; K256-E280 HydrophobicContact CB-CB 4.27Å; K256-E280 PolarHBondContact N-O 3.46Å; K256-E280 IonicContact NZ-OE2 2.87Å; K256-E280 PolarHBondContact NZ-OE2 2.77Å; K256-E280 PolarHBondContact O-N 2.91Å |
| 257 | L | 97.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.2 | 172.9 | 171.4 | 67.1 | 0 | 0 | 0 | 109.5 | T248 Q249 I251 L259 V277 G278 L279 | T248-L257 CarbonylContact C-O 3.56Å; T248-L257 WeakPolarHBondContact CA-O 3.25Å; Q249-L257 PolarHBondContact N-O 2.92Å; Q249-L257 PolarHBondContact O-N 3.24Å; I251-L257 HydrophobicContact CD1-CB 3.55Å; I251-L257 HydrophobicContact CD1-CD2 3.98Å; I251-L257 HydrophobicContact CD1-CG 4.38Å; I251-L257 HydrophobicContact CG1-CB 4.05Å; L257-L259 HydrophobicContact CD1-CD2 4.05Å; L257-L259 HydrophobicContact CD2-CD2 4.5Å; L257-L259 HydrophobicContact CD2-CG 4.46Å; L257-L259 HydrophobicContact CG-CD2 4.38Å; L257-L259 HydrophobicContact CG-CG 4.37Å; L257-V277 HydrophobicContact CD1-CG1 4.03Å; L257-G278 CarbonylContact C-O 3.56Å; L257-G278 WeakPolarHBondContact CA-O 3.39Å; L257-L279 HydrophobicContact CB-CD2 4.15Å; L257-L279 HydrophobicContact CD1-CD2 3.66Å; L257-L279 HydrophobicContact CD1-CG 4.25Å; L257-L279 HydrophobicContact CG-CD2 4.5Å |
| 258 | T | 98 | Very high | 95.6 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.7 | 171.5 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | Y247 V277 G278 | Y247-T258 CarbonylContact O-C 3.55Å; Y247-T258 WeakPolarHBondContact O-CA 3.46Å; T258-V277 CarbonylContact O-C 3.55Å; T258-V277 WeakPolarHBondContact O-CA 3.27Å; T258-G278 PolarHBondContact N-O 3.41Å; T258-G278 PolarHBondContact O-N 2.8Å |
| 259 | L | 98.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 66 Ų | 66 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.7 | 169.8 | -59.1 | 177.5 | 0 | 0 | 0 | 108.1 | G246 Y247 L257 V277 | G246-L259 CarbonylContact C-O 3.58Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.2Å; Y247-L259 PolarHBondContact N-O 3.36Å; Y247-L259 PolarHBondContact O-N 2.83Å; L257-L259 HydrophobicContact CD1-CD2 4.05Å; L257-L259 HydrophobicContact CD2-CD2 4.5Å; L257-L259 HydrophobicContact CD2-CG 4.46Å; L257-L259 HydrophobicContact CG-CD2 4.38Å; L257-L259 HydrophobicContact CG-CG 4.37Å; L259-V277 HydrophobicContact CD2-CG1 4.3Å; L259-V277 HydrophobicContact CD2-CG2 4.09Å |
| 260 | S | 97.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.1 | 178.1 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | G23 L245 L275 G276 | G23-S260 PolarHBondContact N-OG 3.34Å; L245-S260 CarbonylContact O-C 3.52Å; L245-S260 WeakPolarHBondContact O-CA 3.48Å; L245-S260 WeakPolarHBondContact O-CB 3.34Å; S260-L275 CarbonylContact O-C 3.5Å; S260-L275 WeakPolarHBondContact O-CA 3.39Å; S260-G276 PolarHBondContact N-O 3.44Å; S260-G276 PolarHBondContact O-N 3.19Å; S260-G276 PolarHBondContact OG-O 3.34Å |
| 261 | A | 97.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 67.5 Ų | 67.5 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F24 G244 L245 L263 K274 L275 | F24-A261 VanDerWaalsContact CE1-O 3.25Å; F24-A261 WeakPolarHBondContact CE1-O 3.37Å; G244-A261 CarbonylContact C-O 3.6Å; G244-A261 WeakPolarHBondContact CA-O 3.19Å; L245-A261 PolarHBondContact N-O 3.21Å; L245-A261 PolarHBondContact O-N 3.02Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; A261-K274 CarbonylContact C-O 3.54Å; A261-K274 VanDerWaalsContact CA-O 3.31Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; A261-L275 HydrophobicContact CB-CD2 3.7Å |
| 262 | L | 97.8 | Very high | 93.7 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.9 | 169.6 | -175.1 | 68.2 | 0 | 0 | 0 | 108.2 | F24 L242 I243 H273 K274 | F24-L262 HydrophobicContact CB-CB 4.17Å; F24-L262 HydrophobicContact CD1-CB 3.72Å; F24-L262 HydrophobicContact CD2-CB 3.94Å; F24-L262 HydrophobicContact CD2-CD1 4.26Å; F24-L262 HydrophobicContact CD2-CD2 4.14Å; F24-L262 HydrophobicContact CD2-CG 4.35Å; F24-L262 HydrophobicContact CE1-CB 3.99Å; F24-L262 HydrophobicContact CE2-CB 4.18Å; F24-L262 HydrophobicContact CE2-CD1 3.89Å; F24-L262 HydrophobicContact CE2-CG 4.45Å; F24-L262 HydrophobicContact CG-CB 3.69Å; F24-L262 HydrophobicContact CG-CD2 4.49Å; F24-L262 HydrophobicContact CZ-CB 4.21Å; F24-L262 HydrophobicContact CZ-CD1 4.16Å; L242-L262 HydrophobicContact CB-CD1 4.23Å; I243-L262 CarbonylContact O-C 3.57Å; I243-L262 WeakPolarHBondContact O-CA 3.29Å; L262-H273 CarbonylContact O-C 3.6Å; L262-H273 VanDerWaalsContact O-CA 3.22Å; L262-H273 WeakPolarHBondContact O-CA 3Å; L262-K274 HydrophobicContact CB-CB 4.17Å; L262-K274 HydrophobicContact CD2-CD 4.49Å; L262-K274 PolarHBondContact N-O 3.16Å; L262-K274 PolarHBondContact O-N 2.98Å |
| 263 | L | 96.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.4 | -179.7 | -50.5 | 178.3 | 0 | 0 | 0 | 109.3 | L242 I243 L245 A261 H273 | L242-L263 WeakPolarHBondContact CA-O 3.39Å; I243-L263 HydrophobicContact CB-CB 4.36Å; I243-L263 PolarHBondContact N-O 2.96Å; I243-L263 PolarHBondContact O-N 2.79Å; L245-L263 HydrophobicContact CD1-CD1 4.28Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; L263-H273 HydrophobicContact CD2-CB 3.92Å |
| 264 | D | 95.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.9 | 169.5 | -177.5 | -6.4 | 0 | 0 | 0 | 108.4 | L242 K266 N267 I268 H273 | L242-D264 HydrophobicContact CD2-CB 4.19Å; D264-K266 PolarHBondContact O-N 2.71Å; D264-K266 WeakPolarHBondContact OD1-CB 3.31Å; D264-K266 PolarHBondContact OD1-N 2.93Å; D264-N267 HydrophobicContact CB-CB 4.21Å; D264-N267 CarbonylContact O-C 3.58Å; D264-N267 VanDerWaalsContact O-C 3.26Å; D264-N267 PolarHBondContact O-N 2.86Å; D264-N267 PolarHBondContact OD2-ND2 2.79Å; D264-I268 WeakPolarHBondContact O-CA 3.07Å; D264-I268 PolarHBondContact O-N 2.75Å; D264-H273 PolarHBondContact N-ND1 3.17Å |
| 265 | G | 92.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S241 | S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.25Å; S241-G265 PolarHBondContact O-N 3.34Å |
| 266 | K | 92.8 | Very high | 94.2 | Very high | 149 Ų | 149 | 62.7 Ų | 62.7 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.5 | 172.1 | -66.1 | 178.6 | -176.9 | -179.8 | 0 | 112 | D264 | D264-K266 PolarHBondContact O-N 2.71Å; D264-K266 WeakPolarHBondContact OD1-CB 3.31Å; D264-K266 PolarHBondContact OD1-N 2.93Å |
| 267 | N | 93.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -122.8 | 31.1 | -172.8 | -68.9 | -56.8 | 0 | 0 | 0 | 112.4 | D264 N269 T270 G271 | D264-N267 HydrophobicContact CB-CB 4.21Å; D264-N267 CarbonylContact O-C 3.58Å; D264-N267 VanDerWaalsContact O-C 3.26Å; D264-N267 PolarHBondContact O-N 2.86Å; D264-N267 PolarHBondContact OD2-ND2 2.79Å; N267-N269 PolarHBondContact O-N 3.03Å; N267-N269 VanDerWaalsContact O-N 3.11Å; N267-T270 WeakPolarHBondContact CA-OG1 3Å; N267-T270 VanDerWaalsContact CB-OG1 3.28Å; N267-T270 WeakPolarHBondContact CB-OG1 3.47Å; N267-T270 PolarHBondContact O-N 3.04Å; N267-T270 PolarHBondContact O-OG1 3.44Å; N267-T270 PolarHBondContact OD1-OG1 3.45Å; N267-G271 PolarHBondContact O-N 2.87Å |
| 268 | I | 90.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 61 Ų | 61 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.7 | -172.6 | -159 | 167.2 | 0 | 0 | 0 | 113.4 | D264 H273 | D264-I268 WeakPolarHBondContact O-CA 3.07Å; D264-I268 PolarHBondContact O-N 2.75Å; I268-H273 PolarHBondContact O-NE2 2.81Å |
| 269 | N | 90 | Very high | 94.1 | Very high | 159 Ų | 159 | 62.7 Ų | 62.7 | 85% | 0.85 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -15.5 | 179.4 | -62.9 | -32.8 | 0 | 0 | 0 | 113.3 | N267 | N267-N269 PolarHBondContact O-N 3.03Å; N267-N269 VanDerWaalsContact O-N 3.11Å |
| 270 | T | 85.9 | Confident | 94.1 | Very high | 111 Ų | 111 | 60.4 Ų | 60.4 | 68% | 0.681 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -11.5 | -170.4 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | N267 | N267-T270 WeakPolarHBondContact CA-OG1 3Å; N267-T270 VanDerWaalsContact CB-OG1 3.28Å; N267-T270 WeakPolarHBondContact CB-OG1 3.47Å; N267-T270 PolarHBondContact O-N 3.04Å; N267-T270 PolarHBondContact O-OG1 3.44Å; N267-T270 PolarHBondContact OD1-OG1 3.45Å |
| 271 | G | 85.9 | Confident | 93.9 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | trans | 104.8 | -143.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N267 H273 | N267-G271 PolarHBondContact O-N 2.87Å; G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-CE1 3.38Å; G271-H273 VanDerWaalsContact O-CE1 3.24Å; G271-H273 PolarHBondContact O-N 3.41Å; G271-H273 PolarHBondContact O-ND1 2.93Å | ||
| 272 | G | 86.3 | Confident | 93.6 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | trans | 74.7 | 17.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 273 | H | 94.5 | Very high | 93 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 30% | 0.296 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 137.7 | 179.6 | -54.5 | -20.7 | 0 | 0 | 0 | 110.7 | L262 L263 D264 I268 G271 | L262-H273 CarbonylContact O-C 3.6Å; L262-H273 VanDerWaalsContact O-CA 3.22Å; L262-H273 WeakPolarHBondContact O-CA 3Å; L263-H273 HydrophobicContact CD2-CB 3.92Å; D264-H273 PolarHBondContact N-ND1 3.17Å; I268-H273 PolarHBondContact O-NE2 2.81Å; G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-CE1 3.38Å; G271-H273 VanDerWaalsContact O-CE1 3.24Å; G271-H273 PolarHBondContact O-N 3.41Å; G271-H273 PolarHBondContact O-ND1 2.93Å |
| 274 | K | 95.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.5 | 177.7 | -53.7 | -166.6 | -176.1 | -136.3 | 0 | 109.8 | F24 E50 A261 L262 | F24-K274 HydrophobicContact CB-CB 4.08Å; E50-K274 VanDerWaalsContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CE 3.5Å; E50-K274 IonicContact OE1-NZ 3.85Å; E50-K274 PolarHBondContact OE1-NZ 3.36Å; E50-K274 IonicContact OE2-NZ 3.2Å; E50-K274 PolarHBondContact OE2-NZ 2.88Å; A261-K274 CarbonylContact C-O 3.54Å; A261-K274 VanDerWaalsContact CA-O 3.31Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; L262-K274 HydrophobicContact CB-CB 4.17Å; L262-K274 HydrophobicContact CD2-CD 4.49Å; L262-K274 PolarHBondContact N-O 3.16Å; L262-K274 PolarHBondContact O-N 2.98Å |
| 275 | L | 96.4 | Very high | 92.7 | Very high | 117 Ų | 117 | 76.3 Ų | 76.3 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 147.5 | 173.1 | -59.3 | -179.5 | 0 | 0 | 0 | 109.8 | G25 S260 A261 | G25-L275 WeakPolarHBondContact CA-O 3.45Å; G25-L275 PolarHBondContact N-O 3.22Å; S260-L275 CarbonylContact O-C 3.5Å; S260-L275 WeakPolarHBondContact O-CA 3.39Å; A261-L275 HydrophobicContact CB-CD2 3.7Å |
| 276 | G | 96.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 78.8 Ų | 78.8 | 4% | 0.041 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G23 L26 S260 | G23-G276 WeakPolarHBondContact O-CA 3.4Å; L26-G276 CarbonylContact O-C 3.46Å; L26-G276 VanDerWaalsContact O-CA 3.25Å; L26-G276 WeakPolarHBondContact O-CA 3.37Å; S260-G276 PolarHBondContact N-O 3.44Å; S260-G276 PolarHBondContact O-N 3.19Å; S260-G276 PolarHBondContact OG-O 3.34Å |
| 277 | V | 97.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 74.6 Ų | 74.6 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.4 | 178 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | L26 I27 K28 L257 T258 L259 | L26-V277 PolarHBondContact O-N 2.93Å; I27-V277 CarbonylContact C-O 3.53Å; I27-V277 WeakPolarHBondContact CA-O 3.28Å; K28-V277 PolarHBondContact N-O 3.38Å; L257-V277 HydrophobicContact CD1-CG1 4.03Å; T258-V277 CarbonylContact O-C 3.55Å; T258-V277 WeakPolarHBondContact O-CA 3.27Å; L259-V277 HydrophobicContact CD2-CG1 4.3Å; L259-V277 HydrophobicContact CD2-CG2 4.09Å |
| 278 | G | 97.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 74.8 Ų | 74.8 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K28 L257 T258 | K28-G278 CarbonylContact O-C 3.49Å; K28-G278 WeakPolarHBondContact O-CA 3.44Å; L257-G278 CarbonylContact C-O 3.56Å; L257-G278 WeakPolarHBondContact CA-O 3.39Å; T258-G278 PolarHBondContact N-O 3.41Å; T258-G278 PolarHBondContact O-N 2.8Å |
| 279 | L | 97 | Very high | 92.8 | Very high | 60 Ų | 60 | 73.8 Ų | 73.8 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.1 | 170.5 | -74.9 | 169.8 | 0 | 0 | 0 | 108.5 | K28 L29 D30 K256 L257 F281 | K28-L279 PolarHBondContact O-N 3.05Å; L29-L279 CarbonylContact C-O 3.55Å; L29-L279 WeakPolarHBondContact CA-O 3.41Å; L29-L279 HydrophobicContact CD1-CB 3.86Å; D30-L279 PolarHBondContact N-O 3.46Å; K256-L279 WeakPolarHBondContact O-CA 3.31Å; L257-L279 HydrophobicContact CB-CD2 4.15Å; L257-L279 HydrophobicContact CD1-CD2 3.66Å; L257-L279 HydrophobicContact CD1-CG 4.25Å; L257-L279 HydrophobicContact CG-CD2 4.5Å; L279-F281 HydrophobicContact CB-CE2 4Å |
| 280 | E | 96.6 | Very high | 93 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 15% | 0.15 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.5 | 176.2 | -179.7 | -177.5 | -168.5 | 0 | 0 | 108.6 | D30 K32 V255 K256 | D30-E280 HydrophobicContact CB-CB 4.35Å; D30-E280 HydrophobicContact CB-CG 4.26Å; D30-E280 CarbonylContact O-C 3.58Å; D30-E280 WeakPolarHBondContact O-CA 3.3Å; K32-E280 WeakPolarHBondContact CE-OE1 3.39Å; K32-E280 IonicContact NZ-OE1 2.74Å; K32-E280 PolarHBondContact NZ-OE1 3.04Å; V255-E280 WeakPolarHBondContact CA-O 3.42Å; K256-E280 HydrophobicContact CB-CB 4.27Å; K256-E280 PolarHBondContact N-O 3.46Å; K256-E280 IonicContact NZ-OE2 2.87Å; K256-E280 PolarHBondContact NZ-OE2 2.77Å; K256-E280 PolarHBondContact O-N 2.91Å |
| 281 | F | 95.4 | Very high | 93.5 | Very high | 80 Ų | 80 | 64.4 Ų | 64.4 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.1 | 171.4 | -60.5 | -100.2 | 0 | 0 | 0 | 108.7 | L29 D30 L31 K32 G254 V255 L279 | L29-F281 HydrophobicContact CD1-CD2 3.73Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å; D30-F281 PolarHBondContact O-N 3.28Å; L31-F281 HydrophobicContact CD2-CB 3.63Å; L31-F281 HydrophobicContact CD2-CD2 3.54Å; L31-F281 HydrophobicContact CD2-CE2 4.45Å; L31-F281 HydrophobicContact CD2-CG 3.77Å; K32-F281 PolarHBondContact N-O 3.22Å; G254-F281 CarbonylContact O-C 3.58Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.25Å; V255-F281 HydrophobicContact CG1-CD1 4.23Å; V255-F281 HydrophobicContact CG1-CE1 3.91Å; V255-F281 HydrophobicContact CG1-CZ 4.37Å; V255-F281 HydrophobicContact CG2-CD1 3.81Å; V255-F281 HydrophobicContact CG2-CE1 4.01Å; L279-F281 HydrophobicContact CB-CE2 4Å |
| 282 | Q | 91.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 67.7 Ų | 67.7 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.4 | 179.2 | -171.8 | 174.4 | 2.9 | 0 | 0 | 108.9 | K32 G254 | K32-Q282 WeakPolarHBondContact O-CA 3.27Å; G254-Q282 VanDerWaalsContact CA-O 3.3Å; G254-Q282 WeakPolarHBondContact CA-O 3.45Å; G254-Q282 PolarHBondContact O-N 3Å |
| 283 | A | 84.4 | Confident | 94.9 | Very high | 112 Ų | 112 | 67 Ų | 67 | 93% | 0.926 | 37% | 0.371 | S | S | * | . | trans | -126.6 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K32 T33 K34 | K32-A283 PolarHBondContact O-N 3.23Å; T33-A283 CarbonylContact C-O 3.44Å; T33-A283 VanDerWaalsContact CA-O 3.29Å; T33-A283 WeakPolarHBondContact CA-O 3.05Å; T33-A283 HydrophobicContact CG2-CB 4.43Å; K34-A283 PolarHBondContact N-O 3.13Å |
Retrieved 283 of 283 residues in 394.1 ms
(Link to these results)