| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 38 | Very low | 243 Ų | 243 | 142 Ų | 142 | 100% | 1.197 | 83% | 0.828 | S | S | * | * | 0 | 105.6 | 0 | -89.4 | 171.2 | 166 | 0 | 0 | 107.4 | T3 | M1-T3 PolarHBondContact O-N 3.04Š| |||
| 2 | A | 33.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | H4 | A2-H4 PolarHBondContact O-N 2.91Š|
| 3 | T | 34.8 | Very low | 43.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.7 | 176.2 | 40 | 0 | 0 | 0 | 0 | 109.1 | M1 G5 | M1-T3 PolarHBondContact O-N 3.04Å; T3-G5 PolarHBondContact O-N 3.38Å |
| 4 | H | 36.4 | Very low | 46.6 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -48 | 121.7 | 170.5 | -100.6 | -64.3 | 0 | 0 | 0 | 109.5 | A2 Q6 | A2-H4 PolarHBondContact O-N 2.91Å; H4-Q6 PolarHBondContact O-N 3.01Å |
| 5 | G | 34 | Very low | 49.8 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | -56.2 | 113.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T3 T7 | T3-G5 PolarHBondContact O-N 3.38Å; G5-T7 VanDerWaalsContact C-N 3.26Å; G5-T7 PolarHBondContact O-N 2.97Å | ||
| 6 | Q | 34.5 | Very low | 52.6 | Low | 188 Ų | 188 | 117.8 Ų | 117.8 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -61.4 | 99.6 | 158 | -78.4 | 179.2 | -26.7 | 0 | 0 | 105.7 | H4 C8 | H4-Q6 PolarHBondContact O-N 3.01Å; Q6-C8 PolarHBondContact O-N 3.22Å | ||
| 7 | T | 35.1 | Very low | 55.2 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 83% | 0.828 | 66% | 0.657 | S | S | * | * | trans | -56.7 | 97.3 | 157.5 | 42.1 | 0 | 0 | 0 | 0 | 105.3 | G5 A9 | G5-T7 VanDerWaalsContact C-N 3.26Å; G5-T7 PolarHBondContact O-N 2.97Å; T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 2.69Å | ||
| 8 | C | 31.9 | Very low | 57.5 | Low | 117 Ų | 117 | 107.7 Ų | 107.7 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -57.9 | 97.8 | 173.5 | -170 | 0 | 0 | 0 | 0 | 105.9 | Q6 R10 | Q6-C8 PolarHBondContact O-N 3.22Å; C8-R10 PolarHBondContact O-N 3.03Å | ||
| 9 | A | 42.1 | Very low | 59.5 | Low | 87 Ų | 87 | 105.3 Ų | 105.3 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | trans | -54.1 | 109.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | T7 | T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 2.69Å | ||
| 10 | R | 49 | Very low | 61.3 | Low | 177 Ų | 177 | 103.4 Ų | 103.4 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | trans | -53 | 132.8 | 178.9 | -84.7 | 179.1 | 167.5 | 178.8 | -2.7 | 107 | C8 M12 | C8-R10 PolarHBondContact O-N 3.03Å; R10-M12 PolarHBondContact O-N 2.97Å; R10-M12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | P | 50.9 | Low | 62.9 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 79% | 0.786 | 58% | 0.579 | S | S | * | * | trans | -52.2 | 122.4 | -172.2 | -20.6 | 26.7 | 0 | 0 | 0 | 110 | C13 | P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.01Å | ||
| 12 | M | 59 | Low | 65.7 | Low | 108 Ų | 108 | 87.6 Ų | 87.6 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | trans | -66.6 | 94.4 | 175.7 | -69.2 | -165.3 | -70.7 | 0 | 0 | 107.9 | R10 E132 C133 | R10-M12 PolarHBondContact O-N 2.97Å; R10-M12 VanDerWaalsContact O-N 3.09Å; M12-E132 HydrophobicContact CB-CB 4.05Å; M12-E132 HydrophobicContact CB-CG 4.41Å; M12-E132 WeakPolarHBondContact CE-OE2 3.14Å; M12-C133 VanDerWaalsContact SD-SG 3.64Å | ||
| 13 | C | 83.1 | Confident | 68.7 | Low | 85 Ų | 85 | 86.3 Ų | 86.3 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 146.9 | -175.7 | -168 | 0 | 0 | 0 | 0 | 110.2 | P11 P15 C133 | P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.01Å; C13-P15 WeakPolarHBondContact O-CD 3.17Å; C13-C133 PolarHBondContact O-N 3.28Å |
| 14 | I | 92.1 | Very high | 71.5 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 119.5 | 168.3 | -60.4 | 175.5 | 0 | 0 | 0 | 107.5 | K130 | I14-K130 HydrophobicContact CG2-CB 3.78Å; I14-K130 HydrophobicContact CG2-CD 4.34Å; I14-K130 HydrophobicContact CG2-CG 4.21Å |
| 15 | P | 94.7 | Very high | 74.4 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 155.1 | 179.5 | 26.3 | -30.7 | 0 | 0 | 0 | 111.3 | C13 N135 V154 L161 | C13-P15 WeakPolarHBondContact O-CD 3.17Å; P15-N135 HydrophobicContact CG-CB 3.89Å; P15-N135 WeakPolarHBondContact O-CB 3.22Å; P15-N135 PolarHBondContact O-ND2 2.87Å; P15-V154 HydrophobicContact CB-CB 4.46Å; P15-V154 HydrophobicContact CB-CG1 3.87Å; P15-V154 HydrophobicContact CG-CG1 4.47Å; P15-L161 HydrophobicContact CB-CD2 3.87Å |
| 16 | P | 95.3 | Very high | 77.3 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 25% | 0.247 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 163.8 | 174.6 | 29.5 | -36.4 | 0 | 0 | 0 | 111.3 | D20 L21 N135 L161 | P16-D20 HydrophobicContact CB-CB 3.82Å; P16-L21 HydrophobicContact CG-CD2 3.81Å; P16-N135 PolarHBondContact O-ND2 3.19Å; P16-L161 HydrophobicContact CG-CD1 4.2Å |
| 17 | S | 96.1 | Very high | 80.3 | Confident | 31 Ų | 31 | 67 Ų | 67 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 159.9 | 168.4 | 76.8 | 0 | 0 | 0 | 0 | 109.8 | A19 D20 L21 N135 | S17-A19 PolarHBondContact O-N 3.23Å; S17-A19 PolarHBondContact OG-N 3.11Å; S17-D20 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact OG-N 3.43Å; S17-D20 PolarHBondContact OG-OD2 3.18Å; S17-L21 PolarHBondContact O-N 3.31Å; S17-N135 PolarHBondContact N-ND2 2.92Å; S17-N135 VanDerWaalsContact N-ND2 3.19Å |
| 18 | Y | 96.7 | Very high | 83.2 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -55.6 | -40.3 | 175.7 | -174 | -82.5 | 0 | 0 | 0 | 111.5 | D20 L21 V154 Q165 N179 A181 | Y18-D20 PolarHBondContact O-N 3.35Å; Y18-L21 HydrophobicContact CD2-CD1 3.92Å; Y18-L21 HydrophobicContact CE2-CD1 4.24Å; Y18-L21 HydrophobicContact CG-CD1 4.32Å; Y18-L21 WeakPolarHBondContact O-CB 3.25Å; Y18-L21 PolarHBondContact O-N 3.46Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; Y18-V154 HydrophobicContact CD2-CG2 4.42Å; Y18-Q165 HydrophobicContact CD1-CB 3.54Å; Y18-Q165 HydrophobicContact CD1-CG 4.16Å; Y18-Q165 HydrophobicContact CD2-CB 3.85Å; Y18-Q165 HydrophobicContact CE1-CB 3.51Å; Y18-Q165 HydrophobicContact CE1-CG 4.27Å; Y18-Q165 HydrophobicContact CE2-CB 3.81Å; Y18-Q165 HydrophobicContact CG-CB 3.73Å; Y18-N179 HydrophobicContact CE1-CB 4.38Å; Y18-N179 WeakPolarHBondContact OH-CB 3.48Å; Y18-A181 HydrophobicContact CE2-CB 3.9Å |
| 19 | A | 95 | Very high | 86.3 | Confident | 62 Ų | 62 | 57 Ų | 57 | 51% | 0.512 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -65.8 | -17.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S17 R26 | S17-A19 PolarHBondContact O-N 3.23Å; S17-A19 PolarHBondContact OG-N 3.11Å; A19-R26 PolarHBondContact O-NH1 3.18Å; A19-R26 PolarHBondContact O-NH2 2.9Å |
| 20 | D | 95.7 | Very high | 88.9 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -100.1 | -0.8 | 178.6 | -65.6 | -45.8 | 0 | 0 | 0 | 113 | P16 S17 Y18 G22 K23 | P16-D20 HydrophobicContact CB-CB 3.82Å; S17-D20 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact OG-N 3.43Å; S17-D20 PolarHBondContact OG-OD2 3.18Å; Y18-D20 PolarHBondContact O-N 3.35Å; D20-G22 PolarHBondContact O-N 2.95Å; D20-K23 HydrophobicContact CB-CB 4.44Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 WeakPolarHBondContact O-CB 3.41Å; D20-K23 PolarHBondContact O-N 2.83Å; D20-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 WeakPolarHBondContact OD1-CD 3.49Å |
| 21 | L | 95.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 138.2 | 169.6 | -65.6 | 172.8 | 0 | 0 | 0 | 109.9 | P16 S17 Y18 K23 R26 V154 L161 A181 H192 | P16-L21 HydrophobicContact CG-CD2 3.81Å; S17-L21 PolarHBondContact O-N 3.31Å; Y18-L21 HydrophobicContact CD2-CD1 3.92Å; Y18-L21 HydrophobicContact CE2-CD1 4.24Å; Y18-L21 HydrophobicContact CG-CD1 4.32Å; Y18-L21 WeakPolarHBondContact O-CB 3.25Å; Y18-L21 PolarHBondContact O-N 3.46Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; L21-K23 PolarHBondContact O-N 2.62Å; L21-K23 VanDerWaalsContact O-N 3.08Å; L21-R26 PolarHBondContact O-NH2 3.03Å; L21-V154 HydrophobicContact CD1-CG2 4.11Å; L21-V154 HydrophobicContact CD2-CG1 4.15Å; L21-L161 HydrophobicContact CD2-CB 4.21Å; L21-L161 HydrophobicContact CD2-CD1 3.92Å; L21-A181 HydrophobicContact CD1-CB 3.65Å; L21-H192 VanDerWaalsContact CB-CE1 3.46Å; L21-H192 WeakPolarHBondContact CB-CE1 3.24Å |
| 22 | G | 94.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D20 A24 A25 R26 | D20-G22 PolarHBondContact O-N 2.95Å; G22-A24 VanDerWaalsContact C-N 3.31Å; G22-A24 PolarHBondContact O-N 2.77Å; G22-A25 PolarHBondContact O-N 2.8Å; G22-R26 PolarHBondContact O-N 2.75Å; G22-R26 VanDerWaalsContact O-N 3.08Å |
| 23 | K | 95.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | -176.6 | -179.6 | 174 | -175.9 | -61.8 | 0 | 113.1 | D20 L21 A25 R26 D27 | D20-K23 HydrophobicContact CB-CB 4.44Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 WeakPolarHBondContact O-CB 3.41Å; D20-K23 PolarHBondContact O-N 2.83Å; D20-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 WeakPolarHBondContact OD1-CD 3.49Å; L21-K23 PolarHBondContact O-N 2.62Å; L21-K23 VanDerWaalsContact O-N 3.08Å; K23-A25 PolarHBondContact O-N 2.82Å; K23-R26 PolarHBondContact O-N 2.83Å; K23-D27 IonicContact NZ-OD1 2.69Å; K23-D27 IonicContact NZ-OD2 2.79Å; K23-D27 PolarHBondContact NZ-OD2 2.85Å; K23-D27 VanDerWaalsContact O-CB 3.26Å; K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.2Å |
| 24 | A | 94.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G22 D27 I28 Y206 | G22-A24 VanDerWaalsContact C-N 3.31Å; G22-A24 PolarHBondContact O-N 2.77Å; A24-D27 PolarHBondContact O-N 3.39Å; A24-I28 PolarHBondContact O-N 2.81Å; A24-Y206 HydrophobicContact CB-CD1 3.89Å; A24-Y206 HydrophobicContact CB-CD2 4.08Å; A24-Y206 HydrophobicContact CB-CE1 4.36Å; A24-Y206 HydrophobicContact CB-CG 3.73Å |
| 25 | A | 96 | Very high | 95.6 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G22 K23 D27 I28 F29 S216 | G22-A25 PolarHBondContact O-N 2.8Å; K23-A25 PolarHBondContact O-N 2.82Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.29Å; A25-I28 PolarHBondContact O-N 3.41Å; A25-I28 VanDerWaalsContact O-N 3.17Å; A25-F29 WeakPolarHBondContact O-CD2 3.28Å; A25-F29 PolarHBondContact O-N 2.89Å; A25-S216 VanDerWaalsContact CA-OG 3.26Å; A25-S216 WeakPolarHBondContact CA-OG 3.13Å; A25-S216 WeakPolarHBondContact CB-OG 3.27Å; A25-S216 PolarHBondContact O-OG 2.77Å |
| 26 | R | 96.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 41.1 Ų | 41.1 | 42% | 0.415 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.1 | -37.5 | 177.9 | -73.2 | -174.3 | -68.7 | 150.8 | -1.9 | 112.8 | A19 L21 G22 K23 I28 F29 N30 | A19-R26 PolarHBondContact O-NH1 3.18Å; A19-R26 PolarHBondContact O-NH2 2.9Å; L21-R26 PolarHBondContact O-NH2 3.03Å; G22-R26 PolarHBondContact O-N 2.75Å; G22-R26 VanDerWaalsContact O-N 3.08Å; K23-R26 PolarHBondContact O-N 2.83Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.85Å; R26-F29 PolarHBondContact O-N 2.83Å; R26-N30 WeakPolarHBondContact O-CB 3.4Å; R26-N30 PolarHBondContact O-N 2.87Å; R26-N30 VanDerWaalsContact O-N 3.08Å; R26-N30 PolarHBondContact O-ND2 3.05Å |
| 27 | D | 96.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 179.8 | -84.1 | -5.6 | 0 | 0 | 0 | 110.9 | K23 A24 A25 F29 N30 K31 | K23-D27 IonicContact NZ-OD1 2.69Å; K23-D27 IonicContact NZ-OD2 2.79Å; K23-D27 PolarHBondContact NZ-OD2 2.85Å; K23-D27 VanDerWaalsContact O-CB 3.26Å; K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.2Å; A24-D27 PolarHBondContact O-N 3.39Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.29Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.8Å; D27-N30 PolarHBondContact O-N 2.79Å; D27-K31 HydrophobicContact CB-CD 3.94Å; D27-K31 HydrophobicContact CB-CG 4.37Å; D27-K31 VanDerWaalsContact CG-NZ 3.35Å; D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 PolarHBondContact O-N 3.23Å; D27-K31 WeakPolarHBondContact OD1-CE 3.38Å; D27-K31 IonicContact OD1-NZ 2.71Å; D27-K31 VanDerWaalsContact OD2-CE 3.3Å; D27-K31 WeakPolarHBondContact OD2-CE 3.29Å; D27-K31 IonicContact OD2-NZ 2.68Å; D27-K31 PolarHBondContact OD2-NZ 3.34Å |
| 28 | I | 97 | Very high | 95.7 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -32.5 | 175.7 | -55.9 | -55.1 | 0 | 0 | 0 | 112.1 | A24 A25 R26 F33 Y206 D214 A233 K235 | A24-I28 PolarHBondContact O-N 2.81Å; A25-I28 PolarHBondContact O-N 3.41Å; A25-I28 VanDerWaalsContact O-N 3.17Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.85Å; I28-F33 WeakPolarHBondContact O-CE2 3.31Å; I28-Y206 HydrophobicContact CD1-CD2 4.49Å; I28-Y206 HydrophobicContact CD1-CE2 4.15Å; I28-Y206 HydrophobicContact CG1-CD2 3.87Å; I28-Y206 HydrophobicContact CG1-CE2 4.03Å; I28-D214 HydrophobicContact CD1-CB 3.73Å; I28-D214 HydrophobicContact CG1-CB 4.44Å; I28-A233 HydrophobicContact CG2-CB 3.76Å; I28-K235 HydrophobicContact CD1-CB 4.2Å |
| 29 | F | 96.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -79.1 | -20.6 | 176.3 | -81.8 | -85.9 | 0 | 0 | 0 | 114.2 | A25 R26 D27 F33 S216 N218 G231 A233 K247 | A25-F29 WeakPolarHBondContact O-CD2 3.28Å; A25-F29 PolarHBondContact O-N 2.89Å; R26-F29 PolarHBondContact O-N 2.83Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.8Å; F29-F33 VanDerWaalsContact O-CD2 3.25Å; F29-F33 WeakPolarHBondContact O-CD2 3.49Å; F29-S216 WeakPolarHBondContact CE2-OG 3.28Å; F29-N218 HydrophobicContact CD2-CB 4.44Å; F29-N218 HydrophobicContact CE2-CB 3.78Å; F29-N218 HydrophobicContact CZ-CB 3.95Å; F29-G231 VanDerWaalsContact CZ-C 3.49Å; F29-G231 WeakPolarHBondContact CZ-O 3.36Å; F29-A233 HydrophobicContact CD1-CB 3.67Å; F29-A233 HydrophobicContact CD2-CB 3.92Å; F29-A233 HydrophobicContact CE1-CB 3.56Å; F29-A233 HydrophobicContact CE2-CB 3.83Å; F29-A233 HydrophobicContact CG-CB 3.84Å; F29-A233 HydrophobicContact CZ-CB 3.64Å; F29-K247 HydrophobicContact CD1-CB 4.32Å; F29-K247 HydrophobicContact CD1-CD 4.2Å; F29-K247 HydrophobicContact CE1-CB 4.46Å; F29-K247 WeakPolarHBondContact O-CD 3.41Å; F29-K247 PolarHBondContact O-NZ 2.82Å |
| 30 | N | 96.1 | Very high | 95.9 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -115.2 | -41.3 | -168.6 | -68.5 | -51.8 | 0 | 0 | 0 | 113.8 | R26 D27 F33 | R26-N30 WeakPolarHBondContact O-CB 3.4Å; R26-N30 PolarHBondContact O-N 2.87Å; R26-N30 VanDerWaalsContact O-N 3.08Å; R26-N30 PolarHBondContact O-ND2 3.05Å; D27-N30 PolarHBondContact O-N 2.79Å; N30-F33 PolarHBondContact O-N 2.87Å |
| 31 | K | 95.2 | Very high | 95.9 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 142.7 | -179.7 | -66.1 | -179.4 | 173.9 | 168.8 | 0 | 110.1 | D27 F33 | D27-K31 HydrophobicContact CB-CD 3.94Å; D27-K31 HydrophobicContact CB-CG 4.37Å; D27-K31 VanDerWaalsContact CG-NZ 3.35Å; D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 PolarHBondContact O-N 3.23Å; D27-K31 WeakPolarHBondContact OD1-CE 3.38Å; D27-K31 IonicContact OD1-NZ 2.71Å; D27-K31 VanDerWaalsContact OD2-CE 3.3Å; D27-K31 WeakPolarHBondContact OD2-CE 3.29Å; D27-K31 IonicContact OD2-NZ 2.68Å; D27-K31 PolarHBondContact OD2-NZ 3.34Å; K31-F33 VanDerWaalsContact C-N 3.28Å; K31-F33 WeakPolarHBondContact O-CD2 3.32Å |
| 32 | G | 93.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 2.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 33 | F | 95.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | trans | -122.6 | 123.8 | 178.9 | -54.6 | -66.7 | 0 | 0 | 0 | 110.8 | I28 F29 N30 K31 F35 K247 | I28-F33 WeakPolarHBondContact O-CE2 3.31Å; F29-F33 VanDerWaalsContact O-CD2 3.25Å; F29-F33 WeakPolarHBondContact O-CD2 3.49Å; N30-F33 PolarHBondContact O-N 2.87Å; K31-F33 VanDerWaalsContact C-N 3.28Å; K31-F33 WeakPolarHBondContact O-CD2 3.32Å; F33-F35 HydrophobicContact CB-CE1 4Å; F33-F35 HydrophobicContact CB-CE2 3.97Å; F33-F35 HydrophobicContact CB-CZ 3.69Å; F33-F35 AromaticContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE2 4.28Å; F33-F35 AromaticContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CE1-CZ 4.09Å; F33-F35 HydrophobicContact CG-CE1 4.19Å; F33-F35 HydrophobicContact CG-CE2 4.27Å; F33-F35 AromaticContact CG-CZ 3.68Å; F33-F35 HydrophobicContact CG-CZ 3.68Å; F33-K247 HydrophobicContact CD2-CD 4.05Å; F33-K247 HydrophobicContact CE1-CD 4.46Å; F33-K247 HydrophobicContact CE1-CG 4.21Å; F33-K247 HydrophobicContact CE2-CD 3.74Å; F33-K247 HydrophobicContact CE2-CG 4.12Å; F33-K247 HydrophobicContact CZ-CB 4.21Å; F33-K247 HydrophobicContact CZ-CD 3.96Å; F33-K247 HydrophobicContact CZ-CG 3.81Å | ||
| 34 | G | 94.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | trans | -136 | 46.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G36 L37 S271 G287 | G34-G36 PolarHBondContact O-N 2.79Å; G34-L37 WeakPolarHBondContact O-CB 3.43Å; G34-L37 PolarHBondContact O-N 2.76Å; G34-L37 VanDerWaalsContact O-N 3.09Å; G34-S271 PolarHBondContact N-OG 3.4Å; G34-G287 WeakPolarHBondContact O-CA 3.47Å | ||
| 35 | F | 95.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 126 | -169.3 | -50.7 | -46.1 | 0 | 0 | 0 | 112.8 | F33 L37 A272 L273 K285 | F33-F35 HydrophobicContact CB-CE1 4Å; F33-F35 HydrophobicContact CB-CE2 3.97Å; F33-F35 HydrophobicContact CB-CZ 3.69Å; F33-F35 AromaticContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE2 4.28Å; F33-F35 AromaticContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CE1-CZ 4.09Å; F33-F35 HydrophobicContact CG-CE1 4.19Å; F33-F35 HydrophobicContact CG-CE2 4.27Å; F33-F35 AromaticContact CG-CZ 3.68Å; F33-F35 HydrophobicContact CG-CZ 3.68Å; F35-L37 PolarHBondContact O-N 2.8Å; F35-A272 VanDerWaalsContact CE1-C 3.44Å; F35-A272 WeakPolarHBondContact CE1-O 3.26Å; F35-L273 HydrophobicContact CB-CB 4.06Å; F35-L273 HydrophobicContact CD1-CB 3.78Å; F35-L273 HydrophobicContact CD2-CB 3.85Å; F35-L273 HydrophobicContact CD2-CD1 4.05Å; F35-L273 HydrophobicContact CD2-CD2 4.01Å; F35-L273 HydrophobicContact CD2-CG 4.2Å; F35-L273 HydrophobicContact CE1-CB 4.11Å; F35-L273 HydrophobicContact CE2-CB 4.16Å; F35-L273 HydrophobicContact CE2-CD1 3.74Å; F35-L273 HydrophobicContact CE2-CG 4.37Å; F35-L273 HydrophobicContact CG-CB 3.65Å; F35-L273 HydrophobicContact CG-CD2 4.4Å; F35-L273 HydrophobicContact CG-CG 4.47Å; F35-L273 HydrophobicContact CZ-CB 4.28Å; F35-L273 HydrophobicContact CZ-CD1 4.14Å; F35-K285 HydrophobicContact CB-CB 4.04Å; F35-K285 HydrophobicContact CB-CD 4.48Å |
| 36 | G | 95.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 18.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G34 T60 V286 | G34-G36 PolarHBondContact O-N 2.79Å; G36-T60 WeakPolarHBondContact CA-OG1 3.41Å; G36-T60 PolarHBondContact O-N 2.85Å; G36-T60 PolarHBondContact O-OG1 2.86Å; G36-T60 VanDerWaalsContact O-OG1 3.11Å; G36-V286 VanDerWaalsContact CA-O 3.29Å; G36-V286 WeakPolarHBondContact CA-O 3.3Å; G36-V286 PolarHBondContact N-O 2.82Å |
| 37 | L | 96.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.9 | 178.4 | -62.7 | 174.6 | 0 | 0 | 0 | 110.3 | G34 F35 S58 N59 G287 L288 | G34-L37 WeakPolarHBondContact O-CB 3.43Å; G34-L37 PolarHBondContact O-N 2.76Å; G34-L37 VanDerWaalsContact O-N 3.09Å; F35-L37 PolarHBondContact O-N 2.8Å; L37-S58 WeakPolarHBondContact CA-O 3.38Å; L37-N59 HydrophobicContact CD2-CB 4.11Å; L37-G287 CarbonylContact O-C 3.6Å; L37-G287 VanDerWaalsContact O-CA 3.26Å; L37-G287 WeakPolarHBondContact O-CA 3.42Å; L37-L288 PolarHBondContact O-N 3.43Å |
| 38 | V | 97.4 | Very high | 95.5 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.6 | 159.5 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | S57 S58 T60 L288 | V38-S57 CarbonylContact O-C 3.55Å; V38-S57 VanDerWaalsContact O-CA 3.3Å; V38-S57 WeakPolarHBondContact O-CA 3.35Å; V38-S58 PolarHBondContact N-O 3.22Å; V38-S58 PolarHBondContact O-N 2.98Å; V38-T60 HydrophobicContact CG2-CG2 4.2Å; V38-L288 CarbonylContact C-O 3.53Å; V38-L288 VanDerWaalsContact CA-O 3.26Å; V38-L288 WeakPolarHBondContact CA-O 3.35Å; V38-L288 HydrophobicContact CG1-CD2 4.13Å |
| 39 | K | 97.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 62 Ų | 62 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.5 | -171.9 | -165.7 | -178.6 | -172.7 | -138.8 | 0 | 111.4 | D41 G56 L288 A289 L290 | K39-D41 WeakPolarHBondContact CD-OD2 3.39Å; K39-D41 VanDerWaalsContact CE-OD1 3.23Å; K39-D41 WeakPolarHBondContact CE-OD1 3.15Å; K39-D41 WeakPolarHBondContact CE-OD2 3.45Å; K39-D41 IonicContact NZ-OD1 3.06Å; K39-D41 PolarHBondContact NZ-OD1 2.89Å; K39-D41 IonicContact NZ-OD2 2.88Å; K39-D41 PolarHBondContact NZ-OD2 3.39Å; K39-G56 CarbonylContact C-O 3.51Å; K39-G56 WeakPolarHBondContact CA-O 3.47Å; K39-L288 PolarHBondContact N-O 2.83Å; K39-A289 HydrophobicContact CB-CB 4.04Å; K39-A289 CarbonylContact O-C 3.56Å; K39-A289 VanDerWaalsContact O-CA 3.28Å; K39-A289 WeakPolarHBondContact O-CA 3.47Å; K39-L290 PolarHBondContact O-N 3.37Å |
| 40 | L | 97.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.6 | 169.6 | 176.3 | 63.5 | 0 | 0 | 0 | 108.1 | V42 S55 G56 L290 L292 | L40-V42 HydrophobicContact CD1-CG2 4.02Å; L40-V42 HydrophobicContact CD2-CG2 4.3Å; L40-V42 HydrophobicContact CG-CG2 3.94Å; L40-S55 CarbonylContact O-C 3.58Å; L40-S55 VanDerWaalsContact O-CA 3.31Å; L40-S55 WeakPolarHBondContact O-CA 3.07Å; L40-G56 PolarHBondContact N-O 2.87Å; L40-G56 PolarHBondContact O-N 3.49Å; L40-L290 CarbonylContact C-O 3.57Å; L40-L290 WeakPolarHBondContact CA-O 3.36Å; L40-L290 HydrophobicContact CD1-CB 3.98Å; L40-L290 HydrophobicContact CD1-CD2 3.94Å; L40-L290 HydrophobicContact CD1-CG 4.06Å; L40-L292 HydrophobicContact CD1-CD1 4.16Å; L40-L292 HydrophobicContact CD1-CG 4.42Å |
| 41 | D | 97.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.5 | 171.5 | -64.9 | -75.2 | 0 | 0 | 0 | 108.3 | K39 S55 L290 E291 L292 | K39-D41 WeakPolarHBondContact CD-OD2 3.39Å; K39-D41 VanDerWaalsContact CE-OD1 3.23Å; K39-D41 WeakPolarHBondContact CE-OD1 3.15Å; K39-D41 WeakPolarHBondContact CE-OD2 3.45Å; K39-D41 IonicContact NZ-OD1 3.06Å; K39-D41 PolarHBondContact NZ-OD1 2.89Å; K39-D41 IonicContact NZ-OD2 2.88Å; K39-D41 PolarHBondContact NZ-OD2 3.39Å; D41-S55 VanDerWaalsContact OD1-CB 3.22Å; D41-S55 WeakPolarHBondContact OD1-CB 3.34Å; D41-L290 PolarHBondContact N-O 2.77Å; D41-E291 HydrophobicContact CB-CG 4.34Å; D41-E291 CarbonylContact O-C 3.53Å; D41-E291 WeakPolarHBondContact O-CA 3.3Å; D41-L292 PolarHBondContact O-N 3.43Å |
| 42 | V | 98.2 | Very high | 95.3 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 117.5 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | L40 T44 S53 T54 L292 | L40-V42 HydrophobicContact CD1-CG2 4.02Å; L40-V42 HydrophobicContact CD2-CG2 4.3Å; L40-V42 HydrophobicContact CG-CG2 3.94Å; V42-T44 HydrophobicContact CG1-CG2 4.18Å; V42-S53 CarbonylContact O-C 3.56Å; V42-S53 WeakPolarHBondContact O-CA 3.35Å; V42-T54 PolarHBondContact N-O 3.21Å; V42-T54 PolarHBondContact O-N 2.93Å; V42-L292 CarbonylContact C-O 3.47Å; V42-L292 WeakPolarHBondContact CA-O 3.44Å; V42-L292 HydrophobicContact CG1-CB 4.33Å; V42-L292 HydrophobicContact CG2-CB 4.31Å; V42-L292 HydrophobicContact CG2-CD1 4.13Å |
| 43 | K | 97.8 | Very high | 95.5 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.1 | 174.2 | -66.7 | 178.8 | -177.5 | 173.7 | 0 | 109.2 | F52 L292 E293 A294 | K43-F52 CarbonylContact C-O 3.55Å; K43-F52 VanDerWaalsContact CA-O 3.3Å; K43-F52 WeakPolarHBondContact CA-O 3.31Å; K43-L292 PolarHBondContact N-O 2.86Å; K43-E293 HydrophobicContact CB-CG 4.26Å; K43-E293 CarbonylContact O-C 3.51Å; K43-E293 VanDerWaalsContact O-CA 3.29Å; K43-E293 WeakPolarHBondContact O-CA 3.28Å; K43-A294 PolarHBondContact O-N 3.15Å |
| 44 | T | 97.1 | Very high | 95.6 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.1 | 174.7 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | V42 E51 F52 A294 | V42-T44 HydrophobicContact CG1-CG2 4.18Å; T44-E51 CarbonylContact O-C 3.58Å; T44-E51 WeakPolarHBondContact O-CA 3.37Å; T44-F52 PolarHBondContact N-O 2.81Å; T44-F52 PolarHBondContact O-N 2.87Å; T44-A294 CarbonylContact C-O 3.48Å; T44-A294 VanDerWaalsContact CA-O 3.23Å; T44-A294 WeakPolarHBondContact CA-O 3.34Å; T44-A294 HydrophobicContact CG2-CB 4.41Å |
| 45 | K | 95.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 59.7 Ų | 59.7 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.6 | 171.4 | -169 | 171.4 | -179.8 | 171.3 | 0 | 110.9 | E51 A294 | K45-E51 HydrophobicContact CD-CG 4.17Å; K45-E51 HydrophobicContact CG-CG 4.13Å; K45-A294 PolarHBondContact N-O 3.2Å |
| 46 | S | 93.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | trans | -66.7 | 157.5 | 173.8 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | S48 G49 V50 | S46-S48 PolarHBondContact O-N 2.91Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.41Å; S46-G49 PolarHBondContact O-N 3.02Å; S46-G49 PolarHBondContact OG-N 3.46Å; S46-V50 PolarHBondContact N-O 3.07Å; S46-V50 WeakPolarHBondContact OG-CB 3.29Å; S46-V50 PolarHBondContact OG-N 3.35Å; S46-V50 PolarHBondContact OG-O 3.08Å | ||
| 47 | C | 89 | Confident | 95.8 | Very high | 150 Ų | 150 | 60 Ų | 60 | 100% | 1.014 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.9 | 173.4 | -57 | 0 | 0 | 0 | 0 | 112.8 | G49 | C47-G49 PolarHBondContact O-N 2.95Š|
| 48 | S | 88.3 | Confident | 95.8 | Very high | 92 Ų | 92 | 59.2 Ų | 59.2 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.7 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | S46 | S46-S48 PolarHBondContact O-N 2.91Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.41Å |
| 49 | G | 90.5 | Very high | 95.7 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 92.5 | -3.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S46 C47 E51 | S46-G49 PolarHBondContact O-N 3.02Å; S46-G49 PolarHBondContact OG-N 3.46Å; C47-G49 PolarHBondContact O-N 2.95Å; G49-E51 PolarHBondContact O-N 3.18Å |
| 50 | V | 95.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 58 Ų | 58 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 125.6 | 171.8 | -174 | 0 | 0 | 0 | 0 | 109.5 | S46 F52 T71 Y73 | S46-V50 PolarHBondContact N-O 3.07Å; S46-V50 WeakPolarHBondContact OG-CB 3.29Å; S46-V50 PolarHBondContact OG-N 3.35Å; S46-V50 PolarHBondContact OG-O 3.08Å; V50-F52 HydrophobicContact CB-CE2 4.06Å; V50-F52 HydrophobicContact CB-CZ 4.26Å; V50-F52 HydrophobicContact CG1-CD2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.11Å; V50-F52 HydrophobicContact CG1-CE2 3.73Å; V50-F52 HydrophobicContact CG1-CZ 3.59Å; V50-T71 HydrophobicContact CG1-CG2 3.57Å; V50-Y73 HydrophobicContact CG2-CD2 3.75Å; V50-Y73 HydrophobicContact CG2-CE2 4.42Å | ||
| 51 | E | 97.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.1 | 177.4 | -66.4 | 167.5 | -165.7 | 0 | 0 | 109.1 | T44 K45 G49 T71 K72 K74 | T44-E51 CarbonylContact O-C 3.58Å; T44-E51 WeakPolarHBondContact O-CA 3.37Å; K45-E51 HydrophobicContact CD-CG 4.17Å; K45-E51 HydrophobicContact CG-CG 4.13Å; G49-E51 PolarHBondContact O-N 3.18Å; E51-T71 CarbonylContact O-C 3.57Å; E51-T71 WeakPolarHBondContact O-CA 3.48Å; E51-K72 HydrophobicContact CB-CB 4.21Å; E51-K72 PolarHBondContact N-O 2.83Å; E51-K72 PolarHBondContact O-N 2.97Å; E51-K74 IonicContact OE1-NZ 2.65Å; E51-K74 PolarHBondContact OE1-NZ 2.91Å; E51-K74 IonicContact OE2-NZ 2.87Å; E51-K74 PolarHBondContact OE2-NZ 2.8Å |
| 52 | F | 97.7 | Very high | 94.6 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.1 | 173.1 | -58.5 | -88.8 | 0 | 0 | 0 | 109.1 | K43 T44 V50 E70 T71 | K43-F52 CarbonylContact C-O 3.55Å; K43-F52 VanDerWaalsContact CA-O 3.3Å; K43-F52 WeakPolarHBondContact CA-O 3.31Å; T44-F52 PolarHBondContact N-O 2.81Å; T44-F52 PolarHBondContact O-N 2.87Å; V50-F52 HydrophobicContact CB-CE2 4.06Å; V50-F52 HydrophobicContact CB-CZ 4.26Å; V50-F52 HydrophobicContact CG1-CD2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.11Å; V50-F52 HydrophobicContact CG1-CE2 3.73Å; V50-F52 HydrophobicContact CG1-CZ 3.59Å; F52-E70 CarbonylContact C-O 3.49Å; F52-E70 WeakPolarHBondContact CA-O 3.16Å; F52-T71 HydrophobicContact CD1-CG2 3.9Å; F52-T71 HydrophobicContact CE1-CG2 3.6Å; F52-T71 HydrophobicContact CZ-CG2 4.32Å |
| 53 | S | 97.8 | Very high | 94.2 | Very high | 29 Ų | 29 | 63 Ų | 63 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 104.1 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 109 | V42 E70 | V42-S53 CarbonylContact O-C 3.56Å; V42-S53 WeakPolarHBondContact O-CA 3.35Å; S53-E70 PolarHBondContact N-O 2.94Å; S53-E70 PolarHBondContact O-N 2.82Å |
| 54 | T | 97.7 | Very high | 94 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.3 | 175.9 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | V42 T68 L69 | V42-T54 PolarHBondContact N-O 3.21Å; V42-T54 PolarHBondContact O-N 2.93Å; T54-T68 CarbonylContact C-O 3.53Å; T54-T68 VanDerWaalsContact CA-O 3.32Å; T54-T68 WeakPolarHBondContact CA-O 3.43Å; T54-L69 WeakPolarHBondContact OG1-CD1 3.46Å |
| 55 | S | 97.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.7 | 173.1 | 86.6 | 0 | 0 | 0 | 0 | 111 | L40 D41 G67 T68 | L40-S55 CarbonylContact O-C 3.58Å; L40-S55 VanDerWaalsContact O-CA 3.31Å; L40-S55 WeakPolarHBondContact O-CA 3.07Å; D41-S55 VanDerWaalsContact OD1-CB 3.22Å; D41-S55 WeakPolarHBondContact OD1-CB 3.34Å; S55-G67 CarbonylContact O-C 3.54Å; S55-G67 VanDerWaalsContact O-CA 3.25Å; S55-G67 WeakPolarHBondContact O-CA 3.3Å; S55-T68 PolarHBondContact N-O 2.76Å; S55-T68 PolarHBondContact O-N 2.87Å; S55-T68 PolarHBondContact OG-OG1 2.87Å |
| 56 | G | 96.9 | Very high | 93.8 | Very high | 25 Ų | 25 | 61.7 Ų | 61.7 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | K39 L40 T66 | K39-G56 CarbonylContact C-O 3.51Å; K39-G56 WeakPolarHBondContact CA-O 3.47Å; L40-G56 PolarHBondContact N-O 2.87Å; L40-G56 PolarHBondContact O-N 3.49Å; G56-T66 CarbonylContact C-O 3.52Å; G56-T66 WeakPolarHBondContact CA-O 3.46Å |
| 57 | S | 95.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.1 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | V38 V65 T66 | V38-S57 CarbonylContact O-C 3.55Å; V38-S57 VanDerWaalsContact O-CA 3.3Å; V38-S57 WeakPolarHBondContact O-CA 3.35Å; S57-V65 WeakPolarHBondContact O-CA 3.48Å; S57-T66 PolarHBondContact N-O 3.01Å; S57-T66 PolarHBondContact O-N 2.68Å; S57-T66 PolarHBondContact OG-OG1 2.81Å |
| 58 | S | 95.8 | Very high | 94.3 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.3 | 169.2 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | L37 V38 | L37-S58 WeakPolarHBondContact CA-O 3.38Å; V38-S58 PolarHBondContact N-O 3.22Å; V38-S58 PolarHBondContact O-N 2.98Å |
| 59 | N | 94.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.8 | 173.6 | -179.7 | -72.3 | 0 | 0 | 0 | 109.9 | L37 D61 T62 G63 K64 | L37-N59 HydrophobicContact CD2-CB 4.11Å; N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.76Å; N59-D61 WeakPolarHBondContact OD1-CB 3.47Å; N59-D61 PolarHBondContact OD1-N 2.77Å; N59-T62 WeakPolarHBondContact CB-OG1 3.42Å; N59-T62 VanDerWaalsContact CG-OG1 3.26Å; N59-T62 PolarHBondContact OD1-N 2.87Å; N59-T62 PolarHBondContact OD1-OG1 2.82Å; N59-G63 VanDerWaalsContact O-CA 3.25Å; N59-G63 WeakPolarHBondContact O-CA 3.17Å; N59-G63 PolarHBondContact O-N 2.81Å; N59-K64 PolarHBondContact N-O 3.38Å |
| 60 | T | 90.4 | Very high | 95.1 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.5 | -173.7 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | G36 V38 | G36-T60 WeakPolarHBondContact CA-OG1 3.41Å; G36-T60 PolarHBondContact O-N 2.85Å; G36-T60 PolarHBondContact O-OG1 2.86Å; G36-T60 VanDerWaalsContact O-OG1 3.11Å; V38-T60 HydrophobicContact CG2-CG2 4.2Å |
| 61 | D | 89.1 | Confident | 95.2 | Very high | 94 Ų | 94 | 57 Ų | 57 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -37.3 | -177.8 | -57.2 | -22.3 | 0 | 0 | 0 | 111.5 | N59 K285 | N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.76Å; N59-D61 WeakPolarHBondContact OD1-CB 3.47Å; N59-D61 PolarHBondContact OD1-N 2.77Å; D61-K285 WeakPolarHBondContact OD2-CE 3.37Å; D61-K285 IonicContact OD2-NZ 2.8Å; D61-K285 PolarHBondContact OD2-NZ 3.39Å |
| 62 | T | 91.4 | Very high | 95.3 | Very high | 103 Ų | 103 | 56.9 Ų | 56.9 | 63% | 0.632 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -14.6 | -173.5 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | N59 K64 | N59-T62 WeakPolarHBondContact CB-OG1 3.42Å; N59-T62 VanDerWaalsContact CG-OG1 3.26Å; N59-T62 PolarHBondContact OD1-N 2.87Å; N59-T62 PolarHBondContact OD1-OG1 2.82Å; T62-K64 PolarHBondContact O-N 2.81Å; T62-K64 VanDerWaalsContact O-N 3.17Å; T62-K64 WeakPolarHBondContact OG1-CB 3.18Å; T62-K64 PolarHBondContact OG1-N 2.83Å |
| 63 | G | 90.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | trans | 68.1 | 2.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | N59 V65 | N59-G63 VanDerWaalsContact O-CA 3.25Å; N59-G63 WeakPolarHBondContact O-CA 3.17Å; N59-G63 PolarHBondContact O-N 2.81Å; G63-V65 PolarHBondContact O-N 3.46Å | ||
| 64 | K | 92.5 | Very high | 95 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | trans | -67.6 | 125.9 | -179.2 | -172.3 | 177 | 179.8 | -179 | 0 | 109.7 | N59 T62 T66 | N59-K64 PolarHBondContact N-O 3.38Å; T62-K64 PolarHBondContact O-N 2.81Å; T62-K64 VanDerWaalsContact O-N 3.17Å; T62-K64 WeakPolarHBondContact OG1-CB 3.18Å; T62-K64 PolarHBondContact OG1-N 2.83Å; K64-T66 HydrophobicContact CG-CG2 4.45Å | ||
| 65 | V | 94.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.9 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | S57 G63 | S57-V65 WeakPolarHBondContact O-CA 3.48Å; G63-V65 PolarHBondContact O-N 3.46Å |
| 66 | T | 94.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.7 | 174.8 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | G56 S57 K64 T88 | G56-T66 CarbonylContact C-O 3.52Å; G56-T66 WeakPolarHBondContact CA-O 3.46Å; S57-T66 PolarHBondContact N-O 3.01Å; S57-T66 PolarHBondContact O-N 2.68Å; S57-T66 PolarHBondContact OG-OG1 2.81Å; K64-T66 HydrophobicContact CG-CG2 4.45Å; T66-T88 WeakPolarHBondContact CA-OG1 3.25Å |
| 67 | G | 96.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S55 N87 T88 | S55-G67 CarbonylContact O-C 3.54Å; S55-G67 VanDerWaalsContact O-CA 3.25Å; S55-G67 WeakPolarHBondContact O-CA 3.3Å; G67-N87 CarbonylContact O-C 3.55Å; G67-N87 VanDerWaalsContact O-CA 3.22Å; G67-N87 WeakPolarHBondContact O-CA 3.16Å; G67-N87 WeakPolarHBondContact O-CB 3.29Å; G67-T88 VanDerWaalsContact N-CG2 3.32Å; G67-T88 PolarHBondContact N-OG1 2.79Å; G67-T88 PolarHBondContact O-N 2.85Å |
| 68 | T | 97.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 76.8 Ų | 76.8 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.9 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 110.1 | T54 S55 W86 N87 | T54-T68 CarbonylContact C-O 3.53Å; T54-T68 VanDerWaalsContact CA-O 3.32Å; T54-T68 WeakPolarHBondContact CA-O 3.43Å; S55-T68 PolarHBondContact N-O 2.76Å; S55-T68 PolarHBondContact O-N 2.87Å; S55-T68 PolarHBondContact OG-OG1 2.87Å; T68-W86 CarbonylContact C-O 3.54Å; T68-W86 WeakPolarHBondContact CA-O 3.1Å; T68-N87 HydrophobicContact CG2-CB 4.12Å |
| 69 | L | 97.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121 | 166.9 | 174.4 | 63.7 | 0 | 0 | 0 | 107.7 | T54 K85 W86 | T54-L69 WeakPolarHBondContact OG1-CD1 3.46Å; L69-K85 CarbonylContact O-C 3.45Å; L69-K85 WeakPolarHBondContact O-CA 3.31Å; L69-W86 PolarHBondContact N-O 2.8Å; L69-W86 PolarHBondContact O-N 2.77Å |
| 70 | E | 98 | Very high | 93.2 | Very high | 46 Ų | 46 | 75 Ų | 75 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.4 | 171.4 | 175.6 | 175.5 | 135.3 | 0 | 0 | 109 | F52 S53 K72 T83 E84 K85 | F52-E70 CarbonylContact C-O 3.49Å; F52-E70 WeakPolarHBondContact CA-O 3.16Å; S53-E70 PolarHBondContact N-O 2.94Å; S53-E70 PolarHBondContact O-N 2.82Å; E70-K72 WeakPolarHBondContact OE1-CE 3.36Å; E70-K72 IonicContact OE1-NZ 3.32Å; E70-K72 PolarHBondContact OE1-NZ 2.89Å; E70-T83 HydrophobicContact CG-CG2 3.56Å; E70-E84 CarbonylContact C-O 3.57Å; E70-E84 VanDerWaalsContact CA-O 3.31Å; E70-E84 WeakPolarHBondContact CA-O 3.34Å; E70-K85 HydrophobicContact CB-CG 4.15Å; E70-K85 HydrophobicContact CG-CG 3.95Å; E70-K85 WeakPolarHBondContact OE2-CE 3.28Å |
| 71 | T | 97.7 | Very high | 93.5 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.9 | 171.8 | -55.2 | 0 | 0 | 0 | 0 | 108.1 | V50 E51 F52 T83 E84 | V50-T71 HydrophobicContact CG1-CG2 3.57Å; E51-T71 CarbonylContact O-C 3.57Å; E51-T71 WeakPolarHBondContact O-CA 3.48Å; F52-T71 HydrophobicContact CD1-CG2 3.9Å; F52-T71 HydrophobicContact CE1-CG2 3.6Å; F52-T71 HydrophobicContact CZ-CG2 4.32Å; T71-T83 CarbonylContact O-C 3.48Å; T71-T83 VanDerWaalsContact O-CA 3.3Å; T71-T83 WeakPolarHBondContact O-CA 3.27Å; T71-E84 PolarHBondContact N-O 2.74Å; T71-E84 PolarHBondContact O-N 2.71Å |
| 72 | K | 97.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.4 | -179.8 | -178.6 | 176.2 | -64.1 | 120.1 | 0 | 110 | E51 E70 T81 F82 T83 | E51-K72 HydrophobicContact CB-CB 4.21Å; E51-K72 PolarHBondContact N-O 2.83Å; E51-K72 PolarHBondContact O-N 2.97Å; E70-K72 WeakPolarHBondContact OE1-CE 3.36Å; E70-K72 IonicContact OE1-NZ 3.32Å; E70-K72 PolarHBondContact OE1-NZ 2.89Å; K72-T81 HydrophobicContact CD-CG2 4Å; K72-T81 HydrophobicContact CG-CG2 3.76Å; K72-F82 CarbonylContact C-O 3.59Å; K72-F82 WeakPolarHBondContact CA-O 3.47Å; K72-T83 HydrophobicContact CB-CG2 4.38Å |
| 73 | Y | 96.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 66.9 Ų | 66.9 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.3 | 174.8 | 177.7 | -114.6 | 0 | 0 | 0 | 109.7 | V50 W75 T81 F82 | V50-Y73 HydrophobicContact CG2-CD2 3.75Å; V50-Y73 HydrophobicContact CG2-CE2 4.42Å; Y73-W75 HydrophobicContact CE1-CB 4.17Å; Y73-T81 WeakPolarHBondContact O-CA 3.42Å; Y73-F82 HydrophobicContact CD1-CD2 4.17Å; Y73-F82 PolarHBondContact N-O 3.07Å; Y73-F82 PolarHBondContact O-N 3.21Å |
| 74 | K | 93.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 39% | 0.391 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.1 | 178.8 | -68.2 | 171.7 | -175.9 | 154.1 | 0 | 109 | E51 C76 T81 | E51-K74 IonicContact OE1-NZ 2.65Å; E51-K74 PolarHBondContact OE1-NZ 2.91Å; E51-K74 IonicContact OE2-NZ 2.87Å; E51-K74 PolarHBondContact OE2-NZ 2.8Å; K74-C76 PolarHBondContact O-N 2.9Å; K74-T81 HydrophobicContact CG-CG2 4.02Å |
| 75 | W | 91 | Very high | 94.7 | Very high | 112 Ų | 112 | 66.7 Ų | 66.7 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 77.6 | 169.6 | -163.4 | -5.8 | 0 | 0 | 0 | 108.8 | Y73 E77 Y78 G79 L80 F82 | Y73-W75 HydrophobicContact CE1-CB 4.17Å; W75-E77 PolarHBondContact O-N 2.65Å; W75-Y78 AromaticContact CD1-CD2 3.75Å; W75-Y78 AromaticContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CE2 4.36Å; W75-Y78 AromaticContact CE2-CD2 3.4Å; W75-Y78 VanDerWaalsContact CE2-CD2 3.4Å; W75-Y78 AromaticContact CE2-CE2 3.5Å; W75-Y78 VanDerWaalsContact CE2-CE2 3.5Å; W75-Y78 HydrophobicContact CG-CD2 4.04Å; W75-Y78 HydrophobicContact CH2-CE2 4.4Å; W75-Y78 AromaticContact CZ2-CD2 3.84Å; W75-Y78 HydrophobicContact CZ2-CD2 3.84Å; W75-Y78 AromaticContact CZ2-CE2 3.53Å; W75-Y78 HydrophobicContact CZ2-CE2 3.53Å; W75-Y78 AromaticContact NE1-CD2 3.34Å; W75-Y78 VanDerWaalsContact NE1-CD2 3.34Å; W75-Y78 AromaticContact NE1-CE2 3.47Å; W75-Y78 PolarHBondContact O-N 3.19Å; W75-Y78 VanDerWaalsContact O-N 3.11Å; W75-G79 PolarHBondContact O-N 3.09Å; W75-L80 HydrophobicContact CB-CB 4.11Å; W75-L80 PolarHBondContact N-O 2.92Å; W75-L80 PolarHBondContact O-N 2.81Å; W75-F82 HydrophobicContact CE3-CE2 4.35Å |
| 76 | C | 86.1 | Confident | 94.9 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -57.2 | -33.9 | -169.1 | -61.8 | 0 | 0 | 0 | 0 | 114 | K74 Y78 G79 | K74-C76 PolarHBondContact O-N 2.9Å; C76-Y78 PolarHBondContact O-N 2.85Å; C76-G79 PolarHBondContact O-N 2.9Å; C76-G79 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 86.9 | Confident | 94.9 | Very high | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -56.5 | -34.3 | 179 | -172.4 | 180 | -179.2 | 0 | 0 | 112.8 | W75 | W75-E77 PolarHBondContact O-N 2.65Š|
| 78 | Y | 89.9 | Confident | 94.7 | Very high | 116 Ų | 116 | 71.3 Ų | 71.3 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -109 | 13 | 179.6 | -61.7 | -85.8 | 0 | 0 | 0 | 112.6 | W75 C76 L80 Q101 | W75-Y78 AromaticContact CD1-CD2 3.75Å; W75-Y78 AromaticContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CE2 4.36Å; W75-Y78 AromaticContact CE2-CD2 3.4Å; W75-Y78 VanDerWaalsContact CE2-CD2 3.4Å; W75-Y78 AromaticContact CE2-CE2 3.5Å; W75-Y78 VanDerWaalsContact CE2-CE2 3.5Å; W75-Y78 HydrophobicContact CG-CD2 4.04Å; W75-Y78 HydrophobicContact CH2-CE2 4.4Å; W75-Y78 AromaticContact CZ2-CD2 3.84Å; W75-Y78 HydrophobicContact CZ2-CD2 3.84Å; W75-Y78 AromaticContact CZ2-CE2 3.53Å; W75-Y78 HydrophobicContact CZ2-CE2 3.53Å; W75-Y78 AromaticContact NE1-CD2 3.34Å; W75-Y78 VanDerWaalsContact NE1-CD2 3.34Å; W75-Y78 AromaticContact NE1-CE2 3.47Å; W75-Y78 PolarHBondContact O-N 3.19Å; W75-Y78 VanDerWaalsContact O-N 3.11Å; C76-Y78 PolarHBondContact O-N 2.85Å; Y78-L80 PolarHBondContact O-N 2.82Å; Y78-Q101 WeakPolarHBondContact O-CG 3.1Å |
| 79 | G | 90.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 22 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W75 C76 I98 E99 | W75-G79 PolarHBondContact O-N 3.09Å; C76-G79 PolarHBondContact O-N 2.9Å; C76-G79 VanDerWaalsContact O-N 3.1Å; G79-I98 WeakPolarHBondContact O-CA 3.18Å; G79-E99 PolarHBondContact O-N 2.81Å |
| 80 | L | 95 | Very high | 94 | Very high | 32 Ų | 32 | 72.7 Ų | 72.7 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.3 | -174 | -87.3 | 168.6 | 0 | 0 | 0 | 110.4 | W75 Y78 F82 I96 A97 I98 | W75-L80 HydrophobicContact CB-CB 4.11Å; W75-L80 PolarHBondContact N-O 2.92Å; W75-L80 PolarHBondContact O-N 2.81Å; Y78-L80 PolarHBondContact O-N 2.82Å; L80-F82 HydrophobicContact CB-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CE2 4.38Å; L80-F82 HydrophobicContact CD1-CZ 4.35Å; L80-F82 HydrophobicContact CD2-CZ 4.32Å; L80-I96 HydrophobicContact CD2-CG2 4.21Å; L80-A97 CarbonylContact C-O 3.58Å; L80-A97 WeakPolarHBondContact CA-O 3.25Å; L80-I98 HydrophobicContact CD2-CD1 4.08Å; L80-I98 HydrophobicContact CD2-CG1 3.31Å; L80-I98 HydrophobicContact CG-CG1 4.18Å |
| 81 | T | 96.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.8 | 170.6 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | K72 Y73 K74 I96 A97 | K72-T81 HydrophobicContact CD-CG2 4Å; K72-T81 HydrophobicContact CG-CG2 3.76Å; Y73-T81 WeakPolarHBondContact O-CA 3.42Å; K74-T81 HydrophobicContact CG-CG2 4.02Å; T81-I96 WeakPolarHBondContact O-CA 3.25Å; T81-A97 PolarHBondContact N-O 2.94Å; T81-A97 PolarHBondContact O-N 2.78Å |
| 82 | F | 97.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 73.4 Ų | 73.4 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.3 | 172.9 | -62.5 | -88 | 0 | 0 | 0 | 108.4 | K72 Y73 W75 L80 E95 I96 | K72-F82 CarbonylContact C-O 3.59Å; K72-F82 WeakPolarHBondContact CA-O 3.47Å; Y73-F82 HydrophobicContact CD1-CD2 4.17Å; Y73-F82 PolarHBondContact N-O 3.07Å; Y73-F82 PolarHBondContact O-N 3.21Å; W75-F82 HydrophobicContact CE3-CE2 4.35Å; L80-F82 HydrophobicContact CB-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CE2 4.38Å; L80-F82 HydrophobicContact CD1-CZ 4.35Å; L80-F82 HydrophobicContact CD2-CZ 4.32Å; F82-E95 CarbonylContact C-O 3.6Å; F82-I96 HydrophobicContact CD1-CD1 4.4Å; F82-I96 HydrophobicContact CD1-CG1 3.96Å; F82-I96 HydrophobicContact CD1-CG2 4.26Å; F82-I96 HydrophobicContact CE1-CD1 4.21Å; F82-I96 HydrophobicContact CE1-CG1 4.14Å; F82-I96 HydrophobicContact CE1-CG2 3.93Å |
| 83 | T | 97.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.5 | 176.6 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | E70 T71 K72 K85 T94 E95 | E70-T83 HydrophobicContact CG-CG2 3.56Å; T71-T83 CarbonylContact O-C 3.48Å; T71-T83 VanDerWaalsContact O-CA 3.3Å; T71-T83 WeakPolarHBondContact O-CA 3.27Å; K72-T83 HydrophobicContact CB-CG2 4.38Å; T83-K85 VanDerWaalsContact CG2-CE 3.49Å; T83-K85 HydrophobicContact CG2-CG 4.17Å; T83-T94 CarbonylContact O-C 3.59Å; T83-T94 WeakPolarHBondContact O-CA 3.45Å; T83-E95 PolarHBondContact N-O 3.34Å; T83-E95 PolarHBondContact O-N 2.69Å |
| 84 | E | 97.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130 | 174.9 | -76.5 | -67.2 | 160.9 | 0 | 0 | 109 | E70 T71 G93 T94 | E70-E84 CarbonylContact C-O 3.57Å; E70-E84 VanDerWaalsContact CA-O 3.31Å; E70-E84 WeakPolarHBondContact CA-O 3.34Å; T71-E84 PolarHBondContact N-O 2.74Å; T71-E84 PolarHBondContact O-N 2.71Å; E84-G93 CarbonylContact C-O 3.57Å; E84-G93 WeakPolarHBondContact CA-O 3.38Å; E84-T94 WeakPolarHBondContact OE1-CB 3.35Å; E84-T94 WeakPolarHBondContact OE1-CG2 3.39Å; E84-T94 PolarHBondContact OE1-OG1 2.81Å; E84-T94 PolarHBondContact OE2-OG1 2.79Å; E84-T94 VanDerWaalsContact OE2-OG1 3.07Å |
| 85 | K | 97.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.2 | -177.6 | -61.1 | 177.2 | -162.9 | 163.2 | 0 | 109 | L69 E70 T83 L92 G93 E95 | L69-K85 CarbonylContact O-C 3.45Å; L69-K85 WeakPolarHBondContact O-CA 3.31Å; E70-K85 HydrophobicContact CB-CG 4.15Å; E70-K85 HydrophobicContact CG-CG 3.95Å; E70-K85 WeakPolarHBondContact OE2-CE 3.28Å; T83-K85 VanDerWaalsContact CG2-CE 3.49Å; T83-K85 HydrophobicContact CG2-CG 4.17Å; K85-L92 CarbonylContact O-C 3.47Å; K85-L92 WeakPolarHBondContact O-CA 3.27Å; K85-G93 PolarHBondContact N-O 3.15Å; K85-G93 PolarHBondContact O-N 3.02Å; K85-E95 IonicContact NZ-OE2 3.81Å; K85-E95 PolarHBondContact NZ-OE2 3.26Å |
| 86 | W | 96.7 | Very high | 94.2 | Very high | 131 Ų | 131 | 64.2 Ų | 64.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.1 | 172.1 | -172.2 | 32.4 | 0 | 0 | 0 | 110.1 | T68 L69 L92 | T68-W86 CarbonylContact C-O 3.54Å; T68-W86 WeakPolarHBondContact CA-O 3.1Å; L69-W86 PolarHBondContact N-O 2.8Å; L69-W86 PolarHBondContact O-N 2.77Å; W86-L92 HydrophobicContact CB-CD2 4.03Å; W86-L92 VanDerWaalsContact CD1-CD2 3.47Å; W86-L92 HydrophobicContact CD2-CD2 4.37Å; W86-L92 HydrophobicContact CG-CD2 3.72Å |
| 87 | N | 94.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 167.5 | 179.2 | 68.5 | 23.3 | 0 | 0 | 0 | 112.4 | G67 T68 D89 N90 T91 | G67-N87 CarbonylContact O-C 3.55Å; G67-N87 VanDerWaalsContact O-CA 3.22Å; G67-N87 WeakPolarHBondContact O-CA 3.16Å; G67-N87 WeakPolarHBondContact O-CB 3.29Å; T68-N87 HydrophobicContact CG2-CB 4.12Å; N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 PolarHBondContact OD1-N 2.77Å; N87-N90 WeakPolarHBondContact O-CA 3.46Å; N87-N90 PolarHBondContact O-N 2.85Å; N87-N90 PolarHBondContact OD1-N 3.42Å; N87-T91 PolarHBondContact N-O 2.83Å; N87-T91 WeakPolarHBondContact OD1-CB 3.27Å; N87-T91 PolarHBondContact OD1-N 2.79Å |
| 88 | T | 93.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | T66 G67 N90 | T66-T88 WeakPolarHBondContact CA-OG1 3.25Å; G67-T88 VanDerWaalsContact N-CG2 3.32Å; G67-T88 PolarHBondContact N-OG1 2.79Å; G67-T88 PolarHBondContact O-N 2.85Å; T88-N90 PolarHBondContact O-N 3.32Å |
| 89 | D | 89 | Confident | 95.4 | Very high | 93 Ų | 93 | 53 Ų | 53 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.1 | 170.1 | -64.1 | -30.5 | 0 | 0 | 0 | 111.8 | N87 T91 | N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 PolarHBondContact OD1-N 2.77Å; D89-T91 PolarHBondContact O-N 3.16Å |
| 90 | N | 91.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | trans | 58.9 | 23.7 | -175.8 | -64.8 | -68.4 | 0 | 0 | 0 | 114.3 | N87 T88 P116 | N87-N90 WeakPolarHBondContact O-CA 3.46Å; N87-N90 PolarHBondContact O-N 2.85Å; N87-N90 PolarHBondContact OD1-N 3.42Å; T88-N90 PolarHBondContact O-N 3.32Å; N90-P116 WeakPolarHBondContact O-CD 3.45Å | ||
| 91 | T | 93.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | trans | -85.1 | 123.8 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | N87 D89 S115 | N87-T91 PolarHBondContact N-O 2.83Å; N87-T91 WeakPolarHBondContact OD1-CB 3.27Å; N87-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact O-N 3.16Å; T91-S115 PolarHBondContact OG1-OG 3.05Å | ||
| 92 | L | 96.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.5 | 174 | -64.2 | 162.7 | 0 | 0 | 0 | 108.5 | K85 W86 T113 F114 P116 | K85-L92 CarbonylContact O-C 3.47Å; K85-L92 WeakPolarHBondContact O-CA 3.27Å; W86-L92 HydrophobicContact CB-CD2 4.03Å; W86-L92 VanDerWaalsContact CD1-CD2 3.47Å; W86-L92 HydrophobicContact CD2-CD2 4.37Å; W86-L92 HydrophobicContact CG-CD2 3.72Å; L92-T113 CarbonylContact O-C 3.56Å; L92-T113 VanDerWaalsContact O-CA 3.25Å; L92-T113 WeakPolarHBondContact O-CA 3.41Å; L92-F114 HydrophobicContact CD1-CD1 4.36Å; L92-F114 PolarHBondContact N-O 3.47Å; L92-F114 PolarHBondContact O-N 3.36Å; L92-P116 HydrophobicContact CD1-CG 4.27Å |
| 93 | G | 96.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | E84 K85 T112 | E84-G93 CarbonylContact C-O 3.57Å; E84-G93 WeakPolarHBondContact CA-O 3.38Å; K85-G93 PolarHBondContact N-O 3.15Å; K85-G93 PolarHBondContact O-N 3.02Å; G93-T112 CarbonylContact C-O 3.52Å; G93-T112 VanDerWaalsContact CA-O 3.25Å; G93-T112 WeakPolarHBondContact CA-O 3.44Å |
| 94 | T | 97.4 | Very high | 94 | Very high | 42 Ų | 42 | 69 Ų | 69 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | T83 E84 I96 D111 T112 | T83-T94 CarbonylContact O-C 3.59Å; T83-T94 WeakPolarHBondContact O-CA 3.45Å; E84-T94 WeakPolarHBondContact OE1-CB 3.35Å; E84-T94 WeakPolarHBondContact OE1-CG2 3.39Å; E84-T94 PolarHBondContact OE1-OG1 2.81Å; E84-T94 PolarHBondContact OE2-OG1 2.79Å; E84-T94 VanDerWaalsContact OE2-OG1 3.07Å; T94-I96 HydrophobicContact CG2-CG1 4.31Å; T94-D111 CarbonylContact O-C 3.56Å; T94-D111 WeakPolarHBondContact O-CA 3.46Å; T94-T112 PolarHBondContact N-O 3.3Å; T94-T112 PolarHBondContact O-N 3.49Å; T94-T112 PolarHBondContact O-OG1 2.95Å |
| 95 | E | 97.5 | Very high | 93.7 | Very high | 43 Ų | 43 | 65.5 Ų | 65.5 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.4 | 178.7 | 163.3 | 176.5 | 161.6 | 0 | 0 | 108.7 | F82 T83 K85 T109 F110 D111 | F82-E95 CarbonylContact C-O 3.6Å; T83-E95 PolarHBondContact N-O 3.34Å; T83-E95 PolarHBondContact O-N 2.69Å; K85-E95 IonicContact NZ-OE2 3.81Å; K85-E95 PolarHBondContact NZ-OE2 3.26Å; E95-T109 HydrophobicContact CG-CG2 3.73Å; E95-F110 WeakPolarHBondContact CA-O 3.5Å; E95-D111 WeakPolarHBondContact CB-OD1 3.46Å; E95-D111 WeakPolarHBondContact CG-OD1 3.36Å |
| 96 | I | 97.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.2 | 175 | -54.5 | 175.6 | 0 | 0 | 0 | 107.4 | L80 T81 F82 T94 T109 F110 | L80-I96 HydrophobicContact CD2-CG2 4.21Å; T81-I96 WeakPolarHBondContact O-CA 3.25Å; F82-I96 HydrophobicContact CD1-CD1 4.4Å; F82-I96 HydrophobicContact CD1-CG1 3.96Å; F82-I96 HydrophobicContact CD1-CG2 4.26Å; F82-I96 HydrophobicContact CE1-CD1 4.21Å; F82-I96 HydrophobicContact CE1-CG1 4.14Å; F82-I96 HydrophobicContact CE1-CG2 3.93Å; T94-I96 HydrophobicContact CG2-CG1 4.31Å; I96-T109 CarbonylContact O-C 3.49Å; I96-T109 WeakPolarHBondContact O-CA 3.31Å; I96-F110 PolarHBondContact N-O 3.23Å; I96-F110 PolarHBondContact O-N 2.68Å |
| 97 | A | 97.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L80 T81 L108 T109 | L80-A97 CarbonylContact C-O 3.58Å; L80-A97 WeakPolarHBondContact CA-O 3.25Å; T81-A97 PolarHBondContact N-O 2.94Å; T81-A97 PolarHBondContact O-N 2.78Å; A97-L108 CarbonylContact C-O 3.51Å; A97-L108 VanDerWaalsContact CA-O 3.29Å; A97-L108 WeakPolarHBondContact CA-O 3.45Å; A97-T109 HydrophobicContact CB-CG2 4.29Å |
| 98 | I | 96.2 | Very high | 93.8 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.7 | 170.3 | -62.1 | 163.4 | 0 | 0 | 0 | 107.2 | G79 L80 Q101 K107 L108 | G79-I98 WeakPolarHBondContact O-CA 3.18Å; L80-I98 HydrophobicContact CD2-CD1 4.08Å; L80-I98 HydrophobicContact CD2-CG1 3.31Å; L80-I98 HydrophobicContact CG-CG1 4.18Å; I98-Q101 HydrophobicContact CG2-CB 3.84Å; I98-Q101 HydrophobicContact CG2-CG 3.89Å; I98-K107 CarbonylContact O-C 3.49Å; I98-K107 WeakPolarHBondContact O-CA 3.5Å; I98-L108 PolarHBondContact N-O 3.18Å; I98-L108 PolarHBondContact O-N 2.8Å |
| 99 | E | 95 | Very high | 94 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.1 | -178 | -168.6 | 159.8 | -167.4 | 0 | 0 | 110.6 | G79 Q101 K107 | G79-E99 PolarHBondContact O-N 2.81Å; E99-Q101 PolarHBondContact O-N 2.9Å; E99-K107 HydrophobicContact CB-CB 4.46Å; E99-K107 HydrophobicContact CB-CG 4.22Å; E99-K107 HydrophobicContact CG-CB 4.13Å; E99-K107 HydrophobicContact CG-CD 4.49Å; E99-K107 HydrophobicContact CG-CG 4.25Å; E99-K107 IonicContact OE2-NZ 3.6Å; E99-K107 PolarHBondContact OE2-NZ 2.82Å |
| 100 | D | 91.5 | Very high | 94.4 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 60.4 | 7.4 | 173.7 | -63.5 | -31.9 | 0 | 0 | 0 | 117.1 | G105 L106 | D100-G105 WeakPolarHBondContact OD1-CA 3.47Å; D100-G105 PolarHBondContact OD1-N 3.13Å; D100-L106 PolarHBondContact N-O 2.81Å |
| 101 | Q | 88.2 | Confident | 94.6 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -84.4 | -43.6 | 180 | -63.5 | -54.8 | -53.4 | 0 | 0 | 114 | Y78 I98 E99 | Y78-Q101 WeakPolarHBondContact O-CG 3.1Å; I98-Q101 HydrophobicContact CG2-CB 3.84Å; I98-Q101 HydrophobicContact CG2-CG 3.89Å; E99-Q101 PolarHBondContact O-N 2.9Å |
| 102 | I | 87.7 | Confident | 94.6 | Very high | 120 Ų | 120 | 56.1 Ų | 56.1 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -81.4 | -41.5 | -177.5 | -61.7 | 167.9 | 0 | 0 | 0 | 110 | L106 L108 | I102-L106 HydrophobicContact CB-CD2 4.2Å; I102-L106 HydrophobicContact CG2-CD2 4.2Å; I102-L108 HydrophobicContact CD1-CD1 3.57Å |
| 103 | C | 89.3 | Confident | 94.5 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 35% | 0.345 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -154.9 | 138.5 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | G105 L106 | C103-G105 PolarHBondContact O-N 2.95Å; C103-L106 HydrophobicContact CB-CB 4.07Å; C103-L106 HydrophobicContact CB-CD2 4.36Å; C103-L106 VanDerWaalsContact O-CB 3.25Å; C103-L106 WeakPolarHBondContact O-CB 3.46Å; C103-L106 PolarHBondContact O-N 2.88Å |
| 104 | Q | 90.9 | Very high | 94.4 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 132.2 | 175.5 | 179.4 | -168.8 | 28.9 | 0 | 0 | 110.5 | L106 Y129 R131 | Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-Y129 WeakPolarHBondContact O-CE2 3.37Å; Q104-R131 VanDerWaalsContact O-CZ 3.24Å; Q104-R131 PolarHBondContact O-NE 3.19Å; Q104-R131 PolarHBondContact O-NH2 2.93Å |
| 105 | G | 91.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 58 Ų | 58 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -10.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | D100 C103 Y129 K130 | D100-G105 WeakPolarHBondContact OD1-CA 3.47Å; D100-G105 PolarHBondContact OD1-N 3.13Å; C103-G105 PolarHBondContact O-N 2.95Å; G105-Y129 CarbonylContact O-C 3.59Å; G105-Y129 WeakPolarHBondContact O-CA 3.49Å; G105-K130 VanDerWaalsContact CA-O 3.31Å; G105-K130 WeakPolarHBondContact CA-O 2.9Å; G105-K130 PolarHBondContact O-N 2.78Å |
| 106 | L | 96 | Very high | 93.7 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.8 | 179.5 | -176.2 | 66.2 | 0 | 0 | 0 | 110.6 | D100 I102 C103 Q104 L108 S128 Y129 | D100-L106 PolarHBondContact N-O 2.81Å; I102-L106 HydrophobicContact CB-CD2 4.2Å; I102-L106 HydrophobicContact CG2-CD2 4.2Å; C103-L106 HydrophobicContact CB-CB 4.07Å; C103-L106 HydrophobicContact CB-CD2 4.36Å; C103-L106 VanDerWaalsContact O-CB 3.25Å; C103-L106 WeakPolarHBondContact O-CB 3.46Å; C103-L106 PolarHBondContact O-N 2.88Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; L106-L108 HydrophobicContact CD1-CD2 4.17Å; L106-L108 HydrophobicContact CD2-CD2 4.5Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L106-S128 CarbonylContact C-O 3.55Å; L106-S128 WeakPolarHBondContact CA-O 3.06Å; L106-Y129 HydrophobicContact CB-CD2 4.11Å; L106-Y129 HydrophobicContact CD1-CD2 4.46Å |
| 107 | K | 97.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.2 | 169.9 | -175.1 | 178.9 | -171.1 | 128.6 | 0 | 109.4 | I98 E99 S127 S128 | I98-K107 CarbonylContact O-C 3.49Å; I98-K107 WeakPolarHBondContact O-CA 3.5Å; E99-K107 HydrophobicContact CB-CB 4.46Å; E99-K107 HydrophobicContact CB-CG 4.22Å; E99-K107 HydrophobicContact CG-CB 4.13Å; E99-K107 HydrophobicContact CG-CD 4.49Å; E99-K107 HydrophobicContact CG-CG 4.25Å; E99-K107 IonicContact OE2-NZ 3.6Å; E99-K107 PolarHBondContact OE2-NZ 2.82Å; K107-S127 CarbonylContact O-C 3.52Å; K107-S127 WeakPolarHBondContact O-CA 3.31Å; K107-S128 PolarHBondContact N-O 2.8Å; K107-S128 PolarHBondContact O-N 2.86Å |
| 108 | L | 97.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131 | 171.4 | -61.9 | -179 | 0 | 0 | 0 | 108.6 | A97 I98 I102 L106 K126 | A97-L108 CarbonylContact C-O 3.51Å; A97-L108 VanDerWaalsContact CA-O 3.29Å; A97-L108 WeakPolarHBondContact CA-O 3.45Å; I98-L108 PolarHBondContact N-O 3.18Å; I98-L108 PolarHBondContact O-N 2.8Å; I102-L108 HydrophobicContact CD1-CD1 3.57Å; L106-L108 HydrophobicContact CD1-CD2 4.17Å; L106-L108 HydrophobicContact CD2-CD2 4.5Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L108-K126 CarbonylContact C-O 3.6Å; L108-K126 WeakPolarHBondContact CA-O 3.2Å |
| 109 | T | 97.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 66 Ų | 66 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.6 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | E95 I96 A97 D111 I125 K126 | E95-T109 HydrophobicContact CG-CG2 3.73Å; I96-T109 CarbonylContact O-C 3.49Å; I96-T109 WeakPolarHBondContact O-CA 3.31Å; A97-T109 HydrophobicContact CB-CG2 4.29Å; T109-D111 VanDerWaalsContact CG2-OD1 3.28Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.3Å; T109-I125 CarbonylContact O-C 3.58Å; T109-I125 WeakPolarHBondContact O-CA 3.2Å; T109-K126 PolarHBondContact N-O 2.71Å; T109-K126 PolarHBondContact O-N 2.83Å |
| 110 | F | 96.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 68.3 Ų | 68.3 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.3 | 170.8 | -177.6 | -112.1 | 0 | 0 | 0 | 108.7 | E95 I96 T112 I125 | E95-F110 WeakPolarHBondContact CA-O 3.5Å; I96-F110 PolarHBondContact N-O 3.23Å; I96-F110 PolarHBondContact O-N 2.68Å; F110-T112 HydrophobicContact CD1-CG2 4.03Å; F110-T112 HydrophobicContact CE1-CG2 3.29Å; F110-T112 HydrophobicContact CE2-CG2 4.29Å; F110-T112 HydrophobicContact CZ-CG2 3.44Å; F110-T112 VanDerWaalsContact CZ-CG2 3.44Å; F110-I125 HydrophobicContact CD2-CG1 3.89Å; F110-I125 HydrophobicContact CE2-CG1 4.31Å |
| 111 | D | 95.5 | Very high | 92 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | 177.7 | -62 | -40.7 | 0 | 0 | 0 | 109.8 | T94 E95 T109 G123 K124 K126 | T94-D111 CarbonylContact O-C 3.56Å; T94-D111 WeakPolarHBondContact O-CA 3.46Å; E95-D111 WeakPolarHBondContact CB-OD1 3.46Å; E95-D111 WeakPolarHBondContact CG-OD1 3.36Å; T109-D111 VanDerWaalsContact CG2-OD1 3.28Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.3Å; D111-G123 CarbonylContact O-C 3.55Å; D111-G123 VanDerWaalsContact O-CA 3.31Å; D111-G123 WeakPolarHBondContact O-CA 3.36Å; D111-K124 HydrophobicContact CB-CB 4.19Å; D111-K124 PolarHBondContact N-O 2.84Å; D111-K124 PolarHBondContact O-N 3.3Å; D111-K126 WeakPolarHBondContact OD2-CD 3.43Å; D111-K126 WeakPolarHBondContact OD2-CE 3.34Å; D111-K126 IonicContact OD2-NZ 3.94Å; D111-K126 PolarHBondContact OD2-NZ 2.77Å |
| 112 | T | 94.8 | Very high | 92.1 | Very high | 45 Ų | 45 | 67 Ų | 67 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145 | 171.1 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | G93 T94 F110 S122 | G93-T112 CarbonylContact C-O 3.52Å; G93-T112 VanDerWaalsContact CA-O 3.25Å; G93-T112 WeakPolarHBondContact CA-O 3.44Å; T94-T112 PolarHBondContact N-O 3.3Å; T94-T112 PolarHBondContact O-N 3.49Å; T94-T112 PolarHBondContact O-OG1 2.95Å; F110-T112 HydrophobicContact CD1-CG2 4.03Å; F110-T112 HydrophobicContact CE1-CG2 3.29Å; F110-T112 HydrophobicContact CE2-CG2 4.29Å; F110-T112 HydrophobicContact CZ-CG2 3.44Å; F110-T112 VanDerWaalsContact CZ-CG2 3.44Å; T112-S122 WeakPolarHBondContact CA-O 3.38Å |
| 113 | T | 93.3 | Very high | 92.3 | Very high | 59 Ų | 59 | 62 Ų | 62 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.1 | 170.4 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | L92 K121 S122 | L92-T113 CarbonylContact O-C 3.56Å; L92-T113 VanDerWaalsContact O-CA 3.25Å; L92-T113 WeakPolarHBondContact O-CA 3.41Å; T113-K121 WeakPolarHBondContact O-CA 2.9Å; T113-S122 PolarHBondContact N-O 3.27Å; T113-S122 PolarHBondContact O-N 2.87Å; T113-S122 PolarHBondContact OG1-OG 2.9Å |
| 114 | F | 93.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.5 | 178.7 | 176.5 | -125.3 | 0 | 0 | 0 | 109.9 | L92 P116 K121 | L92-F114 HydrophobicContact CD1-CD1 4.36Å; L92-F114 PolarHBondContact N-O 3.47Å; L92-F114 PolarHBondContact O-N 3.36Å; F114-P116 HydrophobicContact CD1-CG 4.03Å; F114-P116 HydrophobicContact CE1-CB 4.07Å; F114-P116 HydrophobicContact CE1-CG 3.75Å; F114-P116 HydrophobicContact CZ-CB 4.32Å; F114-P116 HydrophobicContact CZ-CG 4.42Å; F114-K121 HydrophobicContact CD2-CD 4.3Å; F114-K121 HydrophobicContact CD2-CG 3.56Å; F114-K121 HydrophobicContact CE2-CG 4.17Å; F114-K121 HydrophobicContact CG-CG 4.5Å |
| 115 | S | 92.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 102 | 173.1 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | T91 N117 T118 G119 K120 | T91-S115 PolarHBondContact OG1-OG 3.05Å; S115-N117 PolarHBondContact O-N 2.86Å; S115-T118 WeakPolarHBondContact CB-OG1 3.28Å; S115-T118 PolarHBondContact O-N 3.28Å; S115-T118 PolarHBondContact O-OG1 3.5Å; S115-G119 WeakPolarHBondContact O-CA 3.47Å; S115-G119 PolarHBondContact O-N 3.32Å; S115-K120 PolarHBondContact N-O 3Å |
| 116 | P | 89.9 | Confident | 93.1 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -36.7 | -176.7 | -23.8 | 34.6 | 0 | 0 | 0 | 113.2 | N90 L92 F114 T118 G119 | N90-P116 WeakPolarHBondContact O-CD 3.45Å; L92-P116 HydrophobicContact CD1-CG 4.27Å; F114-P116 HydrophobicContact CD1-CG 4.03Å; F114-P116 HydrophobicContact CE1-CB 4.07Å; F114-P116 HydrophobicContact CE1-CG 3.75Å; F114-P116 HydrophobicContact CZ-CB 4.32Å; F114-P116 HydrophobicContact CZ-CG 4.42Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.49Å; P116-G119 PolarHBondContact O-N 3.22Å |
| 117 | N | 88.7 | Confident | 93.2 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.1 | -177.3 | -66.8 | -22.5 | 0 | 0 | 0 | 113.7 | S115 | S115-N117 PolarHBondContact O-N 2.86Š|
| 118 | T | 87.8 | Confident | 93.2 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -10.3 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | S115 P116 K120 | S115-T118 WeakPolarHBondContact CB-OG1 3.28Å; S115-T118 PolarHBondContact O-N 3.28Å; S115-T118 PolarHBondContact O-OG1 3.5Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.49Å; T118-K120 PolarHBondContact O-N 2.88Å; T118-K120 WeakPolarHBondContact OG1-CB 3.36Å; T118-K120 PolarHBondContact OG1-N 3.22Å |
| 119 | G | 86.3 | Confident | 93.2 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 1.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S115 P116 K121 | S115-G119 WeakPolarHBondContact O-CA 3.47Å; S115-G119 PolarHBondContact O-N 3.32Å; P116-G119 PolarHBondContact O-N 3.22Å; G119-K121 PolarHBondContact O-N 2.67Å |
| 120 | K | 87.7 | Confident | 93.1 | Very high | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 129.9 | -177.5 | -173 | 174.8 | -179.5 | 175.6 | 0 | 109.9 | S115 T118 | S115-K120 PolarHBondContact N-O 3Å; T118-K120 PolarHBondContact O-N 2.88Å; T118-K120 WeakPolarHBondContact OG1-CB 3.36Å; T118-K120 PolarHBondContact OG1-N 3.22Å |
| 121 | K | 89.9 | Confident | 92.9 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 55% | 0.548 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.2 | 174.1 | -67.5 | 174.9 | -175.9 | -177.8 | 0 | 108.8 | T113 F114 G119 | T113-K121 WeakPolarHBondContact O-CA 2.9Å; F114-K121 HydrophobicContact CD2-CD 4.3Å; F114-K121 HydrophobicContact CD2-CG 3.56Å; F114-K121 HydrophobicContact CE2-CG 4.17Å; F114-K121 HydrophobicContact CG-CG 4.5Å; G119-K121 PolarHBondContact O-N 2.67Å |
| 122 | S | 90.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.9 | 166.5 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | T112 T113 | T112-S122 WeakPolarHBondContact CA-O 3.38Å; T113-S122 PolarHBondContact N-O 3.27Å; T113-S122 PolarHBondContact O-N 2.87Å; T113-S122 PolarHBondContact OG1-OG 2.9Å |
| 123 | G | 92.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D111 F142 | D111-G123 CarbonylContact O-C 3.55Å; D111-G123 VanDerWaalsContact O-CA 3.31Å; D111-G123 WeakPolarHBondContact O-CA 3.36Å; G123-F142 PolarHBondContact N-O 2.85Å; G123-F142 WeakPolarHBondContact O-CA 3.31Å; G123-F142 WeakPolarHBondContact O-CB 3.45Å; G123-F142 PolarHBondContact O-N 2.82Å |
| 124 | K | 95.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.5 | 173.5 | -50.7 | 178 | 167.5 | -120.5 | 0 | 109 | D111 V140 D141 | D111-K124 HydrophobicContact CB-CB 4.19Å; D111-K124 PolarHBondContact N-O 2.84Å; D111-K124 PolarHBondContact O-N 3.3Å; K124-V140 VanDerWaalsContact CA-O 3.32Å; K124-V140 WeakPolarHBondContact CA-O 3.35Å; K124-D141 WeakPolarHBondContact CD-OD1 3.2Å; K124-D141 VanDerWaalsContact CE-OD1 3.29Å; K124-D141 WeakPolarHBondContact CE-OD1 3.38Å; K124-D141 WeakPolarHBondContact CG-OD1 3.38Å; K124-D141 IonicContact NZ-OD1 2.73Å; K124-D141 PolarHBondContact NZ-OD1 3.49Å; K124-D141 IonicContact NZ-OD2 2.67Å; K124-D141 PolarHBondContact NZ-OD2 3.48Å |
| 125 | I | 96.4 | Very high | 93 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.2 | 169.4 | -64 | 170.6 | 0 | 0 | 0 | 106.8 | T109 F110 D139 V140 F142 | T109-I125 CarbonylContact O-C 3.58Å; T109-I125 WeakPolarHBondContact O-CA 3.2Å; F110-I125 HydrophobicContact CD2-CG1 3.89Å; F110-I125 HydrophobicContact CE2-CG1 4.31Å; I125-D139 CarbonylContact O-C 3.52Å; I125-D139 VanDerWaalsContact O-CA 3.29Å; I125-D139 WeakPolarHBondContact O-CA 3.26Å; I125-V140 PolarHBondContact N-O 3.3Å; I125-V140 PolarHBondContact O-N 3.2Å; I125-F142 HydrophobicContact CB-CE2 4.34Å; I125-F142 HydrophobicContact CD1-CE2 3.61Å; I125-F142 HydrophobicContact CD1-CZ 4.01Å; I125-F142 HydrophobicContact CG1-CE2 3.83Å |
| 126 | K | 96.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 66 Ų | 66 | 30% | 0.3 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.2 | 177 | -55.1 | 176.6 | 174.7 | 154.3 | 0 | 109.7 | L108 T109 D111 D139 | L108-K126 CarbonylContact C-O 3.6Å; L108-K126 WeakPolarHBondContact CA-O 3.2Å; T109-K126 PolarHBondContact N-O 2.71Å; T109-K126 PolarHBondContact O-N 2.83Å; D111-K126 WeakPolarHBondContact OD2-CD 3.43Å; D111-K126 WeakPolarHBondContact OD2-CE 3.34Å; D111-K126 IonicContact OD2-NZ 3.94Å; D111-K126 PolarHBondContact OD2-NZ 2.77Å; K126-D139 WeakPolarHBondContact CA-OD1 3.27Å; K126-D139 VanDerWaalsContact CB-OD1 3.25Å; K126-D139 WeakPolarHBondContact CB-OD1 3.3Å; K126-D139 HydrophobicContact CG-CB 4.14Å |
| 127 | S | 97.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 109 | K107 G137 C138 | K107-S127 CarbonylContact O-C 3.52Å; K107-S127 WeakPolarHBondContact O-CA 3.31Å; S127-G137 CarbonylContact O-C 3.56Å; S127-G137 VanDerWaalsContact O-CA 3.26Å; S127-G137 WeakPolarHBondContact O-CA 3.32Å; S127-C138 PolarHBondContact N-O 3.08Å; S127-C138 PolarHBondContact O-N 2.69Å; S127-C138 WeakPolarHBondContact OG-CB 3.35Å; S127-C138 PolarHBondContact OG-O 3.16Å |
| 128 | S | 97.2 | Very high | 94 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.8 | 177.8 | 172 | 0 | 0 | 0 | 0 | 108.3 | L106 K107 L136 | L106-S128 CarbonylContact C-O 3.55Å; L106-S128 WeakPolarHBondContact CA-O 3.06Å; K107-S128 PolarHBondContact N-O 2.8Å; K107-S128 PolarHBondContact O-N 2.86Å; S128-L136 CarbonylContact C-O 3.59Å; S128-L136 VanDerWaalsContact CA-O 3.3Å; S128-L136 WeakPolarHBondContact CA-O 3.36Å |
| 129 | Y | 97 | Very high | 94.4 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 28% | 0.275 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.4 | 176.3 | -179.3 | -111.6 | 0 | 0 | 0 | 110.7 | Q104 G105 L106 R131 N135 L136 | Q104-Y129 WeakPolarHBondContact O-CE2 3.37Å; G105-Y129 CarbonylContact O-C 3.59Å; G105-Y129 WeakPolarHBondContact O-CA 3.49Å; L106-Y129 HydrophobicContact CB-CD2 4.11Å; L106-Y129 HydrophobicContact CD1-CD2 4.46Å; Y129-R131 HydrophobicContact CE1-CB 4.43Å; Y129-R131 HydrophobicContact CE1-CG 3.61Å; Y129-R131 HydrophobicContact CE2-CG 4.1Å; Y129-R131 WeakPolarHBondContact OH-CG 3.44Å; Y129-R131 PolarHBondContact OH-NE 3Å; Y129-N135 CarbonylContact O-C 3.5Å; Y129-N135 WeakPolarHBondContact O-CA 3.34Å; Y129-L136 HydrophobicContact CD1-CD1 4.36Å; Y129-L136 PolarHBondContact N-O 2.89Å; Y129-L136 PolarHBondContact O-N 2.78Å |
| 130 | K | 95.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | -174.4 | -67.3 | 178.2 | -173.2 | 171.3 | 0 | 110.8 | I14 G105 | I14-K130 HydrophobicContact CG2-CB 3.78Å; I14-K130 HydrophobicContact CG2-CD 4.34Å; I14-K130 HydrophobicContact CG2-CG 4.21Å; G105-K130 VanDerWaalsContact CA-O 3.31Å; G105-K130 WeakPolarHBondContact CA-O 2.9Å; G105-K130 PolarHBondContact O-N 2.78Å |
| 131 | R | 93.1 | Very high | 95 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 174 | 171.5 | -75.5 | -64.5 | -172.7 | 169.4 | -2.6 | 110 | Q104 Y129 C133 I134 | Q104-R131 VanDerWaalsContact O-CZ 3.24Å; Q104-R131 PolarHBondContact O-NE 3.19Å; Q104-R131 PolarHBondContact O-NH2 2.93Å; Y129-R131 HydrophobicContact CE1-CB 4.43Å; Y129-R131 HydrophobicContact CE1-CG 3.61Å; Y129-R131 HydrophobicContact CE2-CG 4.1Å; Y129-R131 WeakPolarHBondContact OH-CG 3.44Å; Y129-R131 PolarHBondContact OH-NE 3Å; R131-C133 PolarHBondContact O-N 2.89Å; R131-I134 HydrophobicContact CB-CG2 3.82Å; R131-I134 PolarHBondContact N-O 3Å; R131-I134 PolarHBondContact O-N 2.82Å |
| 132 | E | 92.4 | Very high | 94.8 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 131 | 167.8 | -62.1 | -175.2 | 171.8 | 0 | 0 | 109.2 | M12 I134 | M12-E132 HydrophobicContact CB-CB 4.05Å; M12-E132 HydrophobicContact CB-CG 4.41Å; M12-E132 WeakPolarHBondContact CE-OE2 3.14Å; E132-I134 PolarHBondContact O-N 2.86Å |
| 133 | C | 92.6 | Very high | 94 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -5.6 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 117.1 | M12 C13 R131 F155 G156 | M12-C133 VanDerWaalsContact SD-SG 3.64Å; C13-C133 PolarHBondContact O-N 3.28Å; R131-C133 PolarHBondContact O-N 2.89Å; C133-F155 CarbonylContact O-C 3.57Å; C133-F155 VanDerWaalsContact O-CA 3.28Å; C133-F155 WeakPolarHBondContact O-CA 3.02Å; C133-G156 VanDerWaalsContact CA-O 3.27Å; C133-G156 WeakPolarHBondContact CA-O 3.36Å; C133-G156 WeakPolarHBondContact CB-O 3.47Å; C133-G156 PolarHBondContact O-N 2.8Å; C133-G156 PolarHBondContact SG-O 2.89Å; C133-G156 VanDerWaalsContact SG-O 3.41Å |
| 134 | I | 95.8 | Very high | 93 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 21% | 0.205 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.8 | -177.3 | -163.6 | 175.7 | 0 | 0 | 0 | 114 | R131 E132 L136 V154 F155 | R131-I134 HydrophobicContact CB-CG2 3.82Å; R131-I134 PolarHBondContact N-O 3Å; R131-I134 PolarHBondContact O-N 2.82Å; E132-I134 PolarHBondContact O-N 2.86Å; I134-L136 HydrophobicContact CD1-CD1 4Å; I134-L136 HydrophobicContact CD1-CD2 3.77Å; I134-L136 HydrophobicContact CD1-CG 3.87Å; I134-L136 HydrophobicContact CG1-CD2 3.89Å; I134-L136 HydrophobicContact CG1-CG 3.96Å; I134-V154 CarbonylContact C-O 3.59Å; I134-V154 WeakPolarHBondContact CA-O 3.42Å; I134-F155 HydrophobicContact CB-CD1 4.48Å; I134-F155 HydrophobicContact CD1-CD1 4.16Å; I134-F155 HydrophobicContact CD1-CE1 3.49Å; I134-F155 VanDerWaalsContact CD1-CE1 3.49Å; I134-F155 HydrophobicContact CD1-CZ 4.09Å; I134-F155 HydrophobicContact CG1-CD1 4.04Å; I134-F155 HydrophobicContact CG1-CE1 3.84Å; I134-F155 HydrophobicContact CG1-CZ 4.49Å |
| 135 | N | 97.7 | Very high | 92 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 112 | 172.4 | -173.2 | -25.8 | 0 | 0 | 0 | 109.2 | P15 P16 S17 Y129 A153 V154 | P15-N135 HydrophobicContact CG-CB 3.89Å; P15-N135 WeakPolarHBondContact O-CB 3.22Å; P15-N135 PolarHBondContact O-ND2 2.87Å; P16-N135 PolarHBondContact O-ND2 3.19Å; S17-N135 PolarHBondContact N-ND2 2.92Å; S17-N135 VanDerWaalsContact N-ND2 3.19Å; Y129-N135 CarbonylContact O-C 3.5Å; Y129-N135 WeakPolarHBondContact O-CA 3.34Å; N135-A153 CarbonylContact O-C 3.54Å; N135-A153 WeakPolarHBondContact O-CA 3.36Å; N135-V154 HydrophobicContact CB-CB 4.43Å; N135-V154 PolarHBondContact N-O 2.78Å; N135-V154 PolarHBondContact O-N 2.84Å |
| 136 | L | 97.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.335 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.3 | -178.9 | -58 | 179.1 | 0 | 0 | 0 | 109.8 | S128 Y129 I134 S152 A153 | S128-L136 CarbonylContact C-O 3.59Å; S128-L136 VanDerWaalsContact CA-O 3.3Å; S128-L136 WeakPolarHBondContact CA-O 3.36Å; Y129-L136 HydrophobicContact CD1-CD1 4.36Å; Y129-L136 PolarHBondContact N-O 2.89Å; Y129-L136 PolarHBondContact O-N 2.78Å; I134-L136 HydrophobicContact CD1-CD1 4Å; I134-L136 HydrophobicContact CD1-CD2 3.77Å; I134-L136 HydrophobicContact CD1-CG 3.87Å; I134-L136 HydrophobicContact CG1-CD2 3.89Å; I134-L136 HydrophobicContact CG1-CG 3.96Å; L136-S152 CarbonylContact C-O 3.53Å; L136-S152 WeakPolarHBondContact CA-O 3.42Å; L136-A153 HydrophobicContact CD2-CB 3.55Å |
| 137 | G | 97.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S127 G151 S152 | S127-G137 CarbonylContact O-C 3.56Å; S127-G137 VanDerWaalsContact O-CA 3.26Å; S127-G137 WeakPolarHBondContact O-CA 3.32Å; G137-G151 CarbonylContact O-C 3.57Å; G137-S152 PolarHBondContact N-O 2.79Å; G137-S152 PolarHBondContact O-N 2.98Å |
| 138 | C | 97.4 | Very high | 90.7 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 115.8 | 170.3 | -177 | 0 | 0 | 0 | 0 | 109.1 | S127 H150 | S127-C138 PolarHBondContact N-O 3.08Å; S127-C138 PolarHBondContact O-N 2.69Å; S127-C138 WeakPolarHBondContact OG-CB 3.35Å; S127-C138 PolarHBondContact OG-O 3.16Å; C138-H150 CarbonylContact C-O 3.55Å; C138-H150 VanDerWaalsContact CA-O 3.28Å; C138-H150 WeakPolarHBondContact CA-O 3.39Å |
| 139 | D | 95.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.6 | 180 | -55.8 | -15.3 | 0 | 0 | 0 | 109.6 | I125 K126 I149 H150 | I125-D139 CarbonylContact O-C 3.52Å; I125-D139 VanDerWaalsContact O-CA 3.29Å; I125-D139 WeakPolarHBondContact O-CA 3.26Å; K126-D139 WeakPolarHBondContact CA-OD1 3.27Å; K126-D139 VanDerWaalsContact CB-OD1 3.25Å; K126-D139 WeakPolarHBondContact CB-OD1 3.3Å; K126-D139 HydrophobicContact CG-CB 4.14Å; D139-I149 CarbonylContact O-C 3.57Å; D139-I149 WeakPolarHBondContact O-CA 3.36Å; D139-H150 HydrophobicContact CB-CB 4.19Å; D139-H150 PolarHBondContact N-O 3.18Å; D139-H150 PolarHBondContact O-N 3.19Å |
| 140 | V | 95.5 | Very high | 90.6 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109 | 174.8 | -175 | 0 | 0 | 0 | 0 | 108.1 | K124 I125 F142 P147 A148 I149 | K124-V140 VanDerWaalsContact CA-O 3.32Å; K124-V140 WeakPolarHBondContact CA-O 3.35Å; I125-V140 PolarHBondContact N-O 3.3Å; I125-V140 PolarHBondContact O-N 3.2Å; V140-F142 HydrophobicContact CB-CE2 4.11Å; V140-F142 HydrophobicContact CB-CZ 4.3Å; V140-F142 HydrophobicContact CG1-CD2 4.32Å; V140-F142 HydrophobicContact CG1-CE1 4.03Å; V140-F142 HydrophobicContact CG1-CE2 3.74Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; V140-P147 HydrophobicContact CG1-CB 4.25Å; V140-A148 WeakPolarHBondContact CA-O 3.23Å; V140-I149 HydrophobicContact CG2-CG1 4.47Å |
| 141 | D | 90.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.7 | 174.9 | -80.3 | -5.1 | 0 | 0 | 0 | 109.1 | K124 D143 P147 A148 H150 | K124-D141 WeakPolarHBondContact CD-OD1 3.2Å; K124-D141 VanDerWaalsContact CE-OD1 3.29Å; K124-D141 WeakPolarHBondContact CE-OD1 3.38Å; K124-D141 WeakPolarHBondContact CG-OD1 3.38Å; K124-D141 IonicContact NZ-OD1 2.73Å; K124-D141 PolarHBondContact NZ-OD1 3.49Å; K124-D141 IonicContact NZ-OD2 2.67Å; K124-D141 PolarHBondContact NZ-OD2 3.48Å; D141-D143 PolarHBondContact O-N 2.8Å; D141-P147 CarbonylContact O-C 3.54Å; D141-P147 WeakPolarHBondContact O-CA 3.18Å; D141-A148 HydrophobicContact CB-CB 4.35Å; D141-A148 PolarHBondContact N-O 3.37Å; D141-A148 PolarHBondContact O-N 2.9Å; D141-H150 IonicContact OD2-CD2 3.22Å; D141-H150 IonicContact OD2-NE2 2.76Å; D141-H150 PolarHBondContact OD2-NE2 2.8Å |
| 142 | F | 86.3 | Confident | 90.9 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 98.5 | 173.3 | -60.3 | -88 | 0 | 0 | 0 | 109.5 | G123 I125 V140 P147 | G123-F142 PolarHBondContact N-O 2.85Å; G123-F142 WeakPolarHBondContact O-CA 3.31Å; G123-F142 WeakPolarHBondContact O-CB 3.45Å; G123-F142 PolarHBondContact O-N 2.82Å; I125-F142 HydrophobicContact CB-CE2 4.34Å; I125-F142 HydrophobicContact CD1-CE2 3.61Å; I125-F142 HydrophobicContact CD1-CZ 4.01Å; I125-F142 HydrophobicContact CG1-CE2 3.83Å; V140-F142 HydrophobicContact CB-CE2 4.11Å; V140-F142 HydrophobicContact CB-CZ 4.3Å; V140-F142 HydrophobicContact CG1-CD2 4.32Å; V140-F142 HydrophobicContact CG1-CE1 4.03Å; V140-F142 HydrophobicContact CG1-CE2 3.74Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; F142-P147 HydrophobicContact CD1-CB 4.36Å |
| 143 | D | 74.5 | Confident | 91.2 | Very high | 80 Ų | 80 | 49 Ų | 49 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | trans | -107.2 | 157.2 | 166.4 | -160.9 | -1.7 | 0 | 0 | 0 | 110.1 | D141 A145 G146 | D141-D143 PolarHBondContact O-N 2.8Å; D143-A145 PolarHBondContact O-N 2.97Å; D143-G146 PolarHBondContact O-N 3.31Å; D143-G146 VanDerWaalsContact O-N 3.07Å | ||
| 144 | F | 70.6 | Confident | 91.5 | Very high | 177 Ų | 177 | 47.5 Ų | 47.5 | 78% | 0.776 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.3 | 177.7 | -82.3 | -85.8 | 0 | 0 | 0 | 112.9 | G146 | F144-G146 PolarHBondContact O-N 3.1Š|
| 145 | A | 74.1 | Confident | 91.5 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D143 A171 | D143-A145 PolarHBondContact O-N 2.97Å; A145-A171 WeakPolarHBondContact O-CB 3.28Å |
| 146 | G | 80 | Confident | 91.4 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 25% | 0.247 | 30% | 0.295 | C | S | . | . | trans | 116.7 | 147.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D143 F144 | D143-G146 PolarHBondContact O-N 3.31Å; D143-G146 VanDerWaalsContact O-N 3.07Å; F144-G146 PolarHBondContact O-N 3.1Å | ||
| 147 | P | 90 | Very high | 91.2 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | -68.7 | 142.1 | -172.5 | 23.2 | -30.2 | 0 | 0 | 0 | 112.6 | V140 D141 F142 S170 | V140-P147 HydrophobicContact CG1-CB 4.25Å; D141-P147 CarbonylContact O-C 3.54Å; D141-P147 WeakPolarHBondContact O-CA 3.18Å; F142-P147 HydrophobicContact CD1-CB 4.36Å; P147-S170 WeakPolarHBondContact CD-OG 3.12Å; P147-S170 VanDerWaalsContact CG-OG 3.27Å; P147-S170 WeakPolarHBondContact CG-OG 3.5Å; P147-S170 VanDerWaalsContact O-CB 3.31Å; P147-S170 WeakPolarHBondContact O-CB 3.43Å; P147-S170 PolarHBondContact O-N 2.89Å; P147-S170 PolarHBondContact O-OG 3.29Å | ||
| 148 | A | 93.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 60 Ų | 60 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | V140 D141 T167 F168 | V140-A148 WeakPolarHBondContact CA-O 3.23Å; D141-A148 HydrophobicContact CB-CB 4.35Å; D141-A148 PolarHBondContact N-O 3.37Å; D141-A148 PolarHBondContact O-N 2.9Å; A148-T167 HydrophobicContact CB-CG2 4.48Å; A148-F168 WeakPolarHBondContact CA-O 3.5Å |
| 149 | I | 95.7 | Very high | 90.6 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.4 | 178.7 | -55.6 | 173.8 | 0 | 0 | 0 | 107.8 | D139 V140 T167 F168 | D139-I149 CarbonylContact O-C 3.57Å; D139-I149 WeakPolarHBondContact O-CA 3.36Å; V140-I149 HydrophobicContact CG2-CG1 4.47Å; I149-T167 CarbonylContact O-C 3.47Å; I149-T167 VanDerWaalsContact O-CA 3.3Å; I149-T167 WeakPolarHBondContact O-CA 3.26Å; I149-F168 HydrophobicContact CB-CB 4.5Å; I149-F168 PolarHBondContact N-O 3.08Å; I149-F168 PolarHBondContact O-N 3.36Å |
| 150 | H | 96.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 20% | 0.199 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.2 | 177.8 | -49.6 | -79.7 | 0 | 0 | 0 | 109 | C138 D139 D141 M166 T167 | C138-H150 CarbonylContact C-O 3.55Å; C138-H150 VanDerWaalsContact CA-O 3.28Å; C138-H150 WeakPolarHBondContact CA-O 3.39Å; D139-H150 HydrophobicContact CB-CB 4.19Å; D139-H150 PolarHBondContact N-O 3.18Å; D139-H150 PolarHBondContact O-N 3.19Å; D141-H150 IonicContact OD2-CD2 3.22Å; D141-H150 IonicContact OD2-NE2 2.76Å; D141-H150 PolarHBondContact OD2-NE2 2.8Å; H150-M166 WeakPolarHBondContact CA-O 3.37Å; H150-T167 WeakPolarHBondContact CE1-CG2 3.26Å; H150-T167 WeakPolarHBondContact ND1-CG2 3.29Å; H150-T167 PolarHBondContact ND1-OG1 3.35Å |
| 151 | G | 97.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G137 Q165 M166 | G137-G151 CarbonylContact O-C 3.57Å; G151-Q165 CarbonylContact O-C 3.59Å; G151-Q165 WeakPolarHBondContact O-CA 3.46Å; G151-M166 PolarHBondContact N-O 3.48Å; G151-M166 PolarHBondContact O-N 2.74Å |
| 152 | S | 98.2 | Very high | 91 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 22% | 0.217 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 145 | 169.9 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | L136 G137 Y164 | L136-S152 CarbonylContact C-O 3.53Å; L136-S152 WeakPolarHBondContact CA-O 3.42Å; G137-S152 PolarHBondContact N-O 2.79Å; G137-S152 PolarHBondContact O-N 2.98Å; S152-Y164 CarbonylContact C-O 3.52Å; S152-Y164 VanDerWaalsContact CA-O 3.27Å; S152-Y164 WeakPolarHBondContact CA-O 3.09Å |
| 153 | A | 98.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | N135 L136 F155 G163 Y164 | N135-A153 CarbonylContact O-C 3.54Å; N135-A153 WeakPolarHBondContact O-CA 3.36Å; L136-A153 HydrophobicContact CD2-CB 3.55Å; A153-F155 HydrophobicContact CB-CE2 4.17Å; A153-G163 CarbonylContact O-C 3.59Å; A153-G163 VanDerWaalsContact O-CA 3.31Å; A153-G163 WeakPolarHBondContact O-CA 3.35Å; A153-Y164 PolarHBondContact N-O 2.82Å; A153-Y164 PolarHBondContact O-N 2.68Å |
| 154 | V | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.4 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | P15 Y18 L21 I134 N135 L161 A162 | P15-V154 HydrophobicContact CB-CB 4.46Å; P15-V154 HydrophobicContact CB-CG1 3.87Å; P15-V154 HydrophobicContact CG-CG1 4.47Å; Y18-V154 HydrophobicContact CD2-CG2 4.42Å; L21-V154 HydrophobicContact CD1-CG2 4.11Å; L21-V154 HydrophobicContact CD2-CG1 4.15Å; I134-V154 CarbonylContact C-O 3.59Å; I134-V154 WeakPolarHBondContact CA-O 3.42Å; N135-V154 HydrophobicContact CB-CB 4.43Å; N135-V154 PolarHBondContact N-O 2.78Å; N135-V154 PolarHBondContact O-N 2.84Å; V154-L161 HydrophobicContact CG1-CD2 4.49Å; V154-A162 CarbonylContact C-O 3.51Å; V154-A162 WeakPolarHBondContact CA-O 3.38Å |
| 155 | F | 97 | Very high | 94 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.2 | 172.2 | -61.4 | -86.6 | 0 | 0 | 0 | 109.2 | C133 I134 A153 L161 A162 | C133-F155 CarbonylContact O-C 3.57Å; C133-F155 VanDerWaalsContact O-CA 3.28Å; C133-F155 WeakPolarHBondContact O-CA 3.02Å; I134-F155 HydrophobicContact CB-CD1 4.48Å; I134-F155 HydrophobicContact CD1-CD1 4.16Å; I134-F155 HydrophobicContact CD1-CE1 3.49Å; I134-F155 VanDerWaalsContact CD1-CE1 3.49Å; I134-F155 HydrophobicContact CD1-CZ 4.09Å; I134-F155 HydrophobicContact CG1-CD1 4.04Å; I134-F155 HydrophobicContact CG1-CE1 3.84Å; I134-F155 HydrophobicContact CG1-CZ 4.49Å; A153-F155 HydrophobicContact CB-CE2 4.17Å; F155-L161 CarbonylContact O-C 3.57Å; F155-L161 VanDerWaalsContact O-CA 3.31Å; F155-L161 WeakPolarHBondContact O-CA 3.32Å; F155-A162 PolarHBondContact N-O 2.82Å; F155-A162 PolarHBondContact O-N 2.79Å |
| 156 | G | 95.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C133 W160 | C133-G156 VanDerWaalsContact CA-O 3.27Å; C133-G156 WeakPolarHBondContact CA-O 3.36Å; C133-G156 WeakPolarHBondContact CB-O 3.47Å; C133-G156 PolarHBondContact O-N 2.8Å; C133-G156 PolarHBondContact SG-O 2.89Å; C133-G156 VanDerWaalsContact SG-O 3.41Å; G156-W160 CarbonylContact C-O 3.59Å; G156-W160 VanDerWaalsContact CA-O 3.27Å; G156-W160 WeakPolarHBondContact CA-O 3.47Å |
| 157 | Y | 93.6 | Very high | 95.9 | Very high | 146 Ų | 146 | 50.7 Ų | 50.7 | 57% | 0.573 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151 | 124.4 | 176.4 | -173.5 | -95.8 | 0 | 0 | 0 | 110.4 | G159 W160 | Y157-G159 PolarHBondContact O-N 2.96Å; Y157-W160 PolarHBondContact N-O 2.97Å; Y157-W160 WeakPolarHBondContact O-CA 3.22Å; Y157-W160 WeakPolarHBondContact O-CB 3.34Å; Y157-W160 PolarHBondContact O-N 3.25Å |
| 158 | E | 90.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.3 | 178.3 | -68.8 | -177.2 | -168.5 | 0 | 0 | 115.1 | W160 | E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 2.97Å |
| 159 | G | 91.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 52 Ų | 52 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -18.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y157 Y184 R185 | Y157-G159 PolarHBondContact O-N 2.96Å; G159-Y184 CarbonylContact O-C 3.51Å; G159-Y184 WeakPolarHBondContact O-CA 3.45Å; G159-R185 WeakPolarHBondContact CA-O 3.42Å; G159-R185 PolarHBondContact O-N 2.88Å |
| 160 | W | 95.7 | Very high | 95.9 | Very high | 144 Ų | 144 | 50.6 Ų | 50.6 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142 | 168.9 | -66.2 | 93.9 | 0 | 0 | 0 | 110.9 | G156 Y157 E158 V182 Y184 | G156-W160 CarbonylContact C-O 3.59Å; G156-W160 VanDerWaalsContact CA-O 3.27Å; G156-W160 WeakPolarHBondContact CA-O 3.47Å; Y157-W160 PolarHBondContact N-O 2.97Å; Y157-W160 WeakPolarHBondContact O-CA 3.22Å; Y157-W160 WeakPolarHBondContact O-CB 3.34Å; Y157-W160 PolarHBondContact O-N 3.25Å; E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 2.97Å; W160-V182 HydrophobicContact CE3-CG1 4.5Å; W160-Y184 HydrophobicContact CB-CD2 4.46Å; W160-Y184 AromaticContact CD1-CD2 3.88Å; W160-Y184 AromaticContact CD1-CE2 3.78Å; W160-Y184 AromaticContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CE2 4.13Å; W160-Y184 HydrophobicContact CD2-CG 4.42Å; W160-Y184 AromaticContact CE2-CD2 3.59Å; W160-Y184 AromaticContact CE2-CE2 3.8Å; W160-Y184 HydrophobicContact CE3-CD2 4Å; W160-Y184 AromaticContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CE2 4.12Å; W160-Y184 HydrophobicContact CZ2-CD2 4.13Å; W160-Y184 HydrophobicContact CZ2-CE2 4.39Å; W160-Y184 HydrophobicContact CZ3-CD2 4.49Å; W160-Y184 AromaticContact NE1-CD2 3.79Å; W160-Y184 AromaticContact NE1-CE2 3.57Å |
| 161 | L | 96.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.7 | 176.8 | -62.9 | 172.7 | 0 | 0 | 0 | 108.6 | P15 P16 L21 V154 F155 V182 G183 | P15-L161 HydrophobicContact CB-CD2 3.87Å; P16-L161 HydrophobicContact CG-CD1 4.2Å; L21-L161 HydrophobicContact CD2-CB 4.21Å; L21-L161 HydrophobicContact CD2-CD1 3.92Å; V154-L161 HydrophobicContact CG1-CD2 4.49Å; F155-L161 CarbonylContact O-C 3.57Å; F155-L161 VanDerWaalsContact O-CA 3.31Å; F155-L161 WeakPolarHBondContact O-CA 3.32Å; L161-V182 CarbonylContact O-C 3.57Å; L161-V182 WeakPolarHBondContact O-CA 3.41Å; L161-G183 PolarHBondContact N-O 2.86Å; L161-G183 PolarHBondContact O-N 2.82Å |
| 162 | A | 97.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V154 F155 | V154-A162 CarbonylContact C-O 3.51Å; V154-A162 WeakPolarHBondContact CA-O 3.38Å; F155-A162 PolarHBondContact N-O 2.82Å; F155-A162 PolarHBondContact O-N 2.79Å |
| 163 | G | 98.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A153 A181 | A153-G163 CarbonylContact O-C 3.59Å; A153-G163 VanDerWaalsContact O-CA 3.31Å; A153-G163 WeakPolarHBondContact O-CA 3.35Å; G163-A181 PolarHBondContact N-O 3.37Å; G163-A181 PolarHBondContact O-N 3.06Å |
| 164 | Y | 98.3 | Very high | 94.6 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 24% | 0.239 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.5 | 168.8 | -179 | -119.1 | 0 | 0 | 0 | 109.8 | S152 A153 M166 N178 N179 F180 | S152-Y164 CarbonylContact C-O 3.52Å; S152-Y164 VanDerWaalsContact CA-O 3.27Å; S152-Y164 WeakPolarHBondContact CA-O 3.09Å; A153-Y164 PolarHBondContact N-O 2.82Å; A153-Y164 PolarHBondContact O-N 2.68Å; Y164-M166 HydrophobicContact CD1-CE 4.09Å; Y164-M166 HydrophobicContact CE1-CB 3.85Å; Y164-M166 HydrophobicContact CE1-CE 3.56Å; Y164-M166 HydrophobicContact CE1-CG 4.3Å; Y164-M166 HydrophobicContact CE1-SD 4.09Å; Y164-N178 PolarHBondContact OH-ND2 2.84Å; Y164-N179 WeakPolarHBondContact CA-O 3.44Å; Y164-N179 WeakPolarHBondContact CD2-O 3.49Å; Y164-F180 AromaticContact CD2-CD1 3.61Å; Y164-F180 HydrophobicContact CD2-CD1 3.61Å; Y164-F180 AromaticContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CE1 3.42Å; Y164-F180 VanDerWaalsContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CG 4.26Å; Y164-F180 AromaticContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CE2-CD1 4.16Å; Y164-F180 AromaticContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE2 4.21Å; Y164-F180 AromaticContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CG-CE1 4.43Å |
| 165 | Q | 97.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.2 | 173.2 | 174.2 | -177 | 76.3 | 0 | 0 | 109.5 | Y18 G151 N179 | Y18-Q165 HydrophobicContact CD1-CB 3.54Å; Y18-Q165 HydrophobicContact CD1-CG 4.16Å; Y18-Q165 HydrophobicContact CD2-CB 3.85Å; Y18-Q165 HydrophobicContact CE1-CB 3.51Å; Y18-Q165 HydrophobicContact CE1-CG 4.27Å; Y18-Q165 HydrophobicContact CE2-CB 3.81Å; Y18-Q165 HydrophobicContact CG-CB 3.73Å; G151-Q165 CarbonylContact O-C 3.59Å; G151-Q165 WeakPolarHBondContact O-CA 3.46Å; Q165-N179 HydrophobicContact CB-CB 4.31Å; Q165-N179 PolarHBondContact N-O 2.67Å; Q165-N179 PolarHBondContact O-N 3.42Å; Q165-N179 PolarHBondContact OE1-ND2 2.91Å; Q165-N179 VanDerWaalsContact OE1-ND2 3.13Å |
| 166 | M | 97.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.9 | 179.4 | 78.6 | 177.6 | 106.7 | 0 | 0 | 111 | H150 G151 Y164 L175 R177 | H150-M166 WeakPolarHBondContact CA-O 3.37Å; G151-M166 PolarHBondContact N-O 3.48Å; G151-M166 PolarHBondContact O-N 2.74Å; Y164-M166 HydrophobicContact CD1-CE 4.09Å; Y164-M166 HydrophobicContact CE1-CB 3.85Å; Y164-M166 HydrophobicContact CE1-CE 3.56Å; Y164-M166 HydrophobicContact CE1-CG 4.3Å; Y164-M166 HydrophobicContact CE1-SD 4.09Å; M166-L175 HydrophobicContact CB-CD1 4.02Å; M166-L175 HydrophobicContact CG-CD1 4.49Å; M166-R177 CarbonylContact C-O 3.53Å; M166-R177 VanDerWaalsContact CA-O 3.26Å; M166-R177 WeakPolarHBondContact CA-O 3.34Å |
| 167 | T | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 127.7 | 168 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | A148 I149 H150 L175 T176 R177 | A148-T167 HydrophobicContact CB-CG2 4.48Å; I149-T167 CarbonylContact O-C 3.47Å; I149-T167 VanDerWaalsContact O-CA 3.3Å; I149-T167 WeakPolarHBondContact O-CA 3.26Å; H150-T167 WeakPolarHBondContact CE1-CG2 3.26Å; H150-T167 WeakPolarHBondContact ND1-CG2 3.29Å; H150-T167 PolarHBondContact ND1-OG1 3.35Å; T167-L175 CarbonylContact O-C 3.53Å; T167-L175 WeakPolarHBondContact O-CA 3.38Å; T167-L175 WeakPolarHBondContact O-CD1 3.07Å; T167-T176 WeakPolarHBondContact CG2-OG1 3.26Å; T167-T176 PolarHBondContact O-N 2.91Å; T167-T176 PolarHBondContact O-OG1 2.73Å; T167-R177 PolarHBondContact N-O 3.06Å; T167-R177 PolarHBondContact O-N 2.56Å |
| 168 | F | 95.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.1 | 175.8 | -177.1 | -101 | 0 | 0 | 0 | 109.8 | A148 I149 L175 | A148-F168 WeakPolarHBondContact CA-O 3.5Å; I149-F168 HydrophobicContact CB-CB 4.5Å; I149-F168 PolarHBondContact N-O 3.08Å; I149-F168 PolarHBondContact O-N 3.36Å; F168-L175 HydrophobicContact CB-CD1 4.46Å |
| 169 | D | 92.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.7 | 173.6 | 178.3 | -27.1 | 0 | 0 | 0 | 108 | A171 K172 S173 K174 T176 | D169-A171 WeakPolarHBondContact OD1-CB 3.23Å; D169-A171 PolarHBondContact OD1-N 3.3Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å; D169-K172 HydrophobicContact CB-CB 4.3Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 PolarHBondContact OD1-N 3.5Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CG 3.25Å; D169-K172 IonicContact OD2-NZ 2.85Å; D169-K172 PolarHBondContact OD2-NZ 3.34Å; D169-S173 WeakPolarHBondContact O-CA 3.2Å; D169-S173 PolarHBondContact O-N 2.81Å; D169-K174 PolarHBondContact N-O 3.48Å; D169-K174 PolarHBondContact O-N 3.08Å; D169-T176 HydrophobicContact CB-CG2 3.53Å |
| 170 | S | 90.3 | Very high | 95 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -34.2 | -175.8 | 64.8 | 0 | 0 | 0 | 0 | 113 | P147 K172 S173 | P147-S170 WeakPolarHBondContact CD-OG 3.12Å; P147-S170 VanDerWaalsContact CG-OG 3.27Å; P147-S170 WeakPolarHBondContact CG-OG 3.5Å; P147-S170 VanDerWaalsContact O-CB 3.31Å; P147-S170 WeakPolarHBondContact O-CB 3.43Å; P147-S170 PolarHBondContact O-N 2.89Å; P147-S170 PolarHBondContact O-OG 3.29Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.86Å; S170-S173 PolarHBondContact O-N 2.78Å; S170-S173 PolarHBondContact O-OG 3.13Å |
| 171 | A | 89 | Confident | 95.1 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A145 D169 | A145-A171 WeakPolarHBondContact O-CB 3.28Å; D169-A171 WeakPolarHBondContact OD1-CB 3.23Å; D169-A171 PolarHBondContact OD1-N 3.3Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å |
| 172 | K | 89.8 | Confident | 95.2 | Very high | 128 Ų | 128 | 60 Ų | 60 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5.8 | 175.6 | -60.8 | -170.9 | -171.3 | 92.7 | 0 | 113.5 | D169 S170 K174 | D169-K172 HydrophobicContact CB-CB 4.3Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 PolarHBondContact OD1-N 3.5Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CG 3.25Å; D169-K172 IonicContact OD2-NZ 2.85Å; D169-K172 PolarHBondContact OD2-NZ 3.34Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.86Å; K172-K174 HydrophobicContact CB-CB 4.48Å; K172-K174 HydrophobicContact CB-CD 3.98Å; K172-K174 HydrophobicContact CB-CG 3.8Å; K172-K174 HydrophobicContact CD-CD 4.23Å; K172-K174 PolarHBondContact O-N 2.8Å; K172-K174 VanDerWaalsContact O-N 3.15Å |
| 173 | S | 90.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 58 Ų | 58 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 41 | -172.9 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | D169 S170 | D169-S173 WeakPolarHBondContact O-CA 3.2Å; D169-S173 PolarHBondContact O-N 2.81Å; S170-S173 PolarHBondContact O-N 2.78Å; S170-S173 PolarHBondContact O-OG 3.13Å |
| 174 | K | 93.8 | Very high | 95 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.9 | -174.6 | 83.4 | -177.7 | -170.2 | 177 | 0 | 112.6 | D169 K172 T176 | D169-K174 PolarHBondContact N-O 3.48Å; D169-K174 PolarHBondContact O-N 3.08Å; K172-K174 HydrophobicContact CB-CB 4.48Å; K172-K174 HydrophobicContact CB-CD 3.98Å; K172-K174 HydrophobicContact CB-CG 3.8Å; K172-K174 HydrophobicContact CD-CD 4.23Å; K172-K174 PolarHBondContact O-N 2.8Å; K172-K174 VanDerWaalsContact O-N 3.15Å; K174-T176 HydrophobicContact CD-CG2 4.47Å; K174-T176 HydrophobicContact CG-CG2 3.92Å; K174-T176 PolarHBondContact O-N 2.63Å |
| 175 | L | 93.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 41% | 0.414 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.3 | 166.5 | -159.9 | 74.3 | 0 | 0 | 0 | 109.4 | M166 T167 F168 R177 N178 | M166-L175 HydrophobicContact CB-CD1 4.02Å; M166-L175 HydrophobicContact CG-CD1 4.49Å; T167-L175 CarbonylContact O-C 3.53Å; T167-L175 WeakPolarHBondContact O-CA 3.38Å; T167-L175 WeakPolarHBondContact O-CD1 3.07Å; F168-L175 HydrophobicContact CB-CD1 4.46Å; L175-R177 WeakPolarHBondContact CG-O 3.33Å; L175-N178 HydrophobicContact CD2-CB 3.74Å; L175-N178 VanDerWaalsContact CD2-ND2 3.28Å; L175-N178 WeakPolarHBondContact CD2-ND2 3.3Å |
| 176 | T | 93.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 37% | 0.368 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -14.4 | -179 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | T167 D169 K174 | T167-T176 WeakPolarHBondContact CG2-OG1 3.26Å; T167-T176 PolarHBondContact O-N 2.91Å; T167-T176 PolarHBondContact O-OG1 2.73Å; D169-T176 HydrophobicContact CB-CG2 3.53Å; K174-T176 HydrophobicContact CD-CG2 4.47Å; K174-T176 HydrophobicContact CG-CG2 3.92Å; K174-T176 PolarHBondContact O-N 2.63Å |
| 177 | R | 95.3 | Very high | 93.7 | Very high | 113 Ų | 113 | 64 Ų | 64 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.1 | 174.9 | -167.8 | -179.8 | -63.6 | -154.5 | 1.1 | 110.3 | M166 T167 L175 N179 D197 | M166-R177 CarbonylContact C-O 3.53Å; M166-R177 VanDerWaalsContact CA-O 3.26Å; M166-R177 WeakPolarHBondContact CA-O 3.34Å; T167-R177 PolarHBondContact N-O 3.06Å; T167-R177 PolarHBondContact O-N 2.56Å; L175-R177 WeakPolarHBondContact CG-O 3.33Å; R177-N179 WeakPolarHBondContact CD-ND2 3.25Å; R177-N179 WeakPolarHBondContact CG-ND2 3.19Å; R177-D197 VanDerWaalsContact CA-OD1 3.27Å; R177-D197 WeakPolarHBondContact CA-OD1 3.26Å |
| 178 | N | 96.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 102.5 | 176.5 | -170 | -64 | 0 | 0 | 0 | 109.4 | Y164 L175 F180 D197 | Y164-N178 PolarHBondContact OH-ND2 2.84Å; L175-N178 HydrophobicContact CD2-CB 3.74Å; L175-N178 VanDerWaalsContact CD2-ND2 3.28Å; L175-N178 WeakPolarHBondContact CD2-ND2 3.3Å; N178-F180 WeakPolarHBondContact OD1-CE2 3.34Å; N178-F180 WeakPolarHBondContact OD1-CZ 3.23Å; N178-D197 PolarHBondContact N-OD1 2.86Å; N178-D197 WeakPolarHBondContact O-CA 3.42Å; N178-D197 PolarHBondContact O-N 2.91Å |
| 179 | N | 98.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.6 | -173.4 | -55.7 | -23 | 0 | 0 | 0 | 110.9 | Y18 Y164 Q165 R177 V195 N196 D197 | Y18-N179 HydrophobicContact CE1-CB 4.38Å; Y18-N179 WeakPolarHBondContact OH-CB 3.48Å; Y164-N179 WeakPolarHBondContact CA-O 3.44Å; Y164-N179 WeakPolarHBondContact CD2-O 3.49Å; Q165-N179 HydrophobicContact CB-CB 4.31Å; Q165-N179 PolarHBondContact N-O 2.67Å; Q165-N179 PolarHBondContact O-N 3.42Å; Q165-N179 PolarHBondContact OE1-ND2 2.91Å; Q165-N179 VanDerWaalsContact OE1-ND2 3.13Å; R177-N179 WeakPolarHBondContact CD-ND2 3.25Å; R177-N179 WeakPolarHBondContact CG-ND2 3.19Å; N179-V195 CarbonylContact C-O 3.54Å; N179-V195 VanDerWaalsContact CA-O 3.31Å; N179-V195 WeakPolarHBondContact CA-O 3.38Å; N179-N196 WeakPolarHBondContact OD1-CA 3.36Å; N179-N196 WeakPolarHBondContact OD1-CB 3.22Å; N179-D197 PolarHBondContact OD1-N 2.8Å |
| 180 | F | 97.9 | Very high | 93.4 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.3 | 174.5 | -61 | -87.1 | 0 | 0 | 0 | 109.8 | Y164 N178 N194 V195 | Y164-F180 AromaticContact CD2-CD1 3.61Å; Y164-F180 HydrophobicContact CD2-CD1 3.61Å; Y164-F180 AromaticContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CE1 3.42Å; Y164-F180 VanDerWaalsContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CG 4.26Å; Y164-F180 AromaticContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CE2-CD1 4.16Å; Y164-F180 AromaticContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE2 4.21Å; Y164-F180 AromaticContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CG-CE1 4.43Å; N178-F180 WeakPolarHBondContact OD1-CE2 3.34Å; N178-F180 WeakPolarHBondContact OD1-CZ 3.23Å; F180-N194 CarbonylContact O-C 3.6Å; F180-N194 WeakPolarHBondContact O-CA 3.31Å; F180-N194 WeakPolarHBondContact O-CB 3.1Å; F180-V195 PolarHBondContact N-O 2.77Å; F180-V195 PolarHBondContact O-N 2.88Å |
| 181 | A | 97.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.033 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y18 L21 G163 T193 N194 | Y18-A181 HydrophobicContact CE2-CB 3.9Å; L21-A181 HydrophobicContact CD1-CB 3.65Å; G163-A181 PolarHBondContact N-O 3.37Å; G163-A181 PolarHBondContact O-N 3.06Å; A181-T193 CarbonylContact C-O 3.55Å; A181-T193 VanDerWaalsContact CA-O 3.26Å; A181-T193 WeakPolarHBondContact CA-O 3.43Å; A181-N194 HydrophobicContact CB-CB 4.18Å |
| 182 | V | 97.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.2 | 169 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | W160 L161 T193 | W160-V182 HydrophobicContact CE3-CG1 4.5Å; L161-V182 CarbonylContact O-C 3.57Å; L161-V182 WeakPolarHBondContact O-CA 3.41Å; V182-T193 PolarHBondContact N-O 2.82Å; V182-T193 PolarHBondContact O-N 2.78Å; V182-T193 VanDerWaalsContact O-O 3.07Å; V182-T193 PolarHBondContact O-OG1 2.86Å |
| 183 | G | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 65 Ų | 65 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L161 L191 | L161-G183 PolarHBondContact N-O 2.86Å; L161-G183 PolarHBondContact O-N 2.82Å; G183-L191 CarbonylContact C-O 3.56Å; G183-L191 WeakPolarHBondContact CA-O 3.3Å |
| 184 | Y | 95.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 131.4 | 171.3 | -174.4 | -109.9 | 0 | 0 | 0 | 108.8 | G159 W160 T186 F189 Q190 L191 | G159-Y184 CarbonylContact O-C 3.51Å; G159-Y184 WeakPolarHBondContact O-CA 3.45Å; W160-Y184 HydrophobicContact CB-CD2 4.46Å; W160-Y184 AromaticContact CD1-CD2 3.88Å; W160-Y184 AromaticContact CD1-CE2 3.78Å; W160-Y184 AromaticContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CE2 4.13Å; W160-Y184 HydrophobicContact CD2-CG 4.42Å; W160-Y184 AromaticContact CE2-CD2 3.59Å; W160-Y184 AromaticContact CE2-CE2 3.8Å; W160-Y184 HydrophobicContact CE3-CD2 4Å; W160-Y184 AromaticContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CE2 4.12Å; W160-Y184 HydrophobicContact CZ2-CD2 4.13Å; W160-Y184 HydrophobicContact CZ2-CE2 4.39Å; W160-Y184 HydrophobicContact CZ3-CD2 4.49Å; W160-Y184 AromaticContact NE1-CD2 3.79Å; W160-Y184 AromaticContact NE1-CE2 3.57Å; Y184-T186 HydrophobicContact CD1-CG2 4.05Å; Y184-T186 HydrophobicContact CE1-CG2 3.36Å; Y184-F189 AromaticContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CZ 4.02Å; Y184-F189 HydrophobicContact CE1-CE2 4.41Å; Y184-F189 AromaticContact CE1-CZ 4Å; Y184-F189 HydrophobicContact CE1-CZ 4Å; Y184-Q190 CarbonylContact O-C 3.56Å; Y184-Q190 WeakPolarHBondContact O-CA 3.26Å; Y184-L191 PolarHBondContact N-O 2.78Å; Y184-L191 PolarHBondContact O-N 2.77Å |
| 185 | R | 92.4 | Very high | 94.9 | Very high | 134 Ų | 134 | 58.9 Ų | 58.9 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.9 | -176.3 | 172.9 | 170.2 | -177.2 | -160.7 | 1 | 110.3 | G159 Q190 | G159-R185 WeakPolarHBondContact CA-O 3.42Å; G159-R185 PolarHBondContact O-N 2.88Å; R185-Q190 HydrophobicContact CB-CG 4.14Å; R185-Q190 HydrophobicContact CG-CG 3.86Å |
| 186 | T | 89.7 | Confident | 95.1 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | trans | -113.2 | -168 | 168.6 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | Y184 D188 F189 | Y184-T186 HydrophobicContact CD1-CG2 4.05Å; Y184-T186 HydrophobicContact CE1-CG2 3.36Å; T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 WeakPolarHBondContact CB-OD1 3.46Å; T186-D188 PolarHBondContact OG1-N 3.24Å; T186-D188 PolarHBondContact OG1-OD1 2.91Å; T186-F189 HydrophobicContact CG2-CD1 4.19Å; T186-F189 HydrophobicContact CG2-CE1 3.56Å; T186-F189 HydrophobicContact CG2-CE2 4.36Å; T186-F189 HydrophobicContact CG2-CZ 3.66Å; T186-F189 PolarHBondContact N-O 3.41Å; T186-F189 WeakPolarHBondContact OG1-CD1 3.48Å; T186-F189 WeakPolarHBondContact OG1-CE1 3.42Å; T186-F189 PolarHBondContact OG1-N 2.75Å; T186-F189 VanDerWaalsContact OG1-N 3.08Å; T186-F189 PolarHBondContact OG1-O 3.13Å; T186-F189 VanDerWaalsContact OG1-O 3.13Å | ||
| 187 | G | 84.3 | Confident | 95.1 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 89% | 0.887 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -72.7 | -27.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 188 | D | 89.8 | Confident | 95 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -117.1 | -23.6 | -168.6 | 61.1 | -33.4 | 0 | 0 | 0 | 114 | T186 K208 | T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 WeakPolarHBondContact CB-OD1 3.46Å; T186-D188 PolarHBondContact OG1-N 3.24Å; T186-D188 PolarHBondContact OG1-OD1 2.91Å; D188-K208 PolarHBondContact O-N 3.25Å |
| 189 | F | 94 | Very high | 94.8 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 31% | 0.311 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 161.2 | 176.9 | 76.6 | -91.4 | 0 | 0 | 0 | 113.4 | Y184 T186 Y206 Q207 | Y184-F189 AromaticContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CZ 4.02Å; Y184-F189 HydrophobicContact CE1-CE2 4.41Å; Y184-F189 AromaticContact CE1-CZ 4Å; Y184-F189 HydrophobicContact CE1-CZ 4Å; T186-F189 HydrophobicContact CG2-CD1 4.19Å; T186-F189 HydrophobicContact CG2-CE1 3.56Å; T186-F189 HydrophobicContact CG2-CE2 4.36Å; T186-F189 HydrophobicContact CG2-CZ 3.66Å; T186-F189 PolarHBondContact N-O 3.41Å; T186-F189 WeakPolarHBondContact OG1-CD1 3.48Å; T186-F189 WeakPolarHBondContact OG1-CE1 3.42Å; T186-F189 PolarHBondContact OG1-N 2.75Å; T186-F189 VanDerWaalsContact OG1-N 3.08Å; T186-F189 PolarHBondContact OG1-O 3.13Å; T186-F189 VanDerWaalsContact OG1-O 3.13Å; F189-Y206 CarbonylContact C-O 3.55Å; F189-Y206 WeakPolarHBondContact CA-O 3.4Å; F189-Y206 WeakPolarHBondContact CB-O 3.34Å; F189-Q207 HydrophobicContact CB-CB 4.36Å; F189-Q207 HydrophobicContact CB-CG 4.39Å |
| 190 | Q | 95.5 | Very high | 94.7 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 124.2 | 174.3 | -63.9 | 176.6 | 36.9 | 0 | 0 | 109.4 | Y184 R185 I205 Y206 | Y184-Q190 CarbonylContact O-C 3.56Å; Y184-Q190 WeakPolarHBondContact O-CA 3.26Å; R185-Q190 HydrophobicContact CB-CG 4.14Å; R185-Q190 HydrophobicContact CG-CG 3.86Å; Q190-I205 CarbonylContact O-C 3.57Å; Q190-I205 WeakPolarHBondContact O-CA 3.25Å; Q190-Y206 HydrophobicContact CB-CD1 4.25Å; Q190-Y206 HydrophobicContact CG-CD1 4.14Å; Q190-Y206 PolarHBondContact N-O 3.35Å; Q190-Y206 PolarHBondContact O-N 3.32Å |
| 191 | L | 96.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.5 | 167.5 | -177.5 | 70.2 | 0 | 0 | 0 | 108.2 | G183 Y184 I205 | G183-L191 CarbonylContact C-O 3.56Å; G183-L191 WeakPolarHBondContact CA-O 3.3Å; Y184-L191 PolarHBondContact N-O 2.78Å; Y184-L191 PolarHBondContact O-N 2.77Å; L191-I205 HydrophobicContact CD1-CD1 4.37Å; L191-I205 HydrophobicContact CD1-CG1 3.73Å |
| 192 | H | 97.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.6 | 172.9 | 170.5 | 66.8 | 0 | 0 | 0 | 109.7 | L21 G203 S204 | L21-H192 VanDerWaalsContact CB-CE1 3.46Å; L21-H192 WeakPolarHBondContact CB-CE1 3.24Å; H192-G203 CarbonylContact O-C 3.56Å; H192-G203 WeakPolarHBondContact O-CA 3.43Å; H192-S204 PolarHBondContact N-O 2.89Å; H192-S204 PolarHBondContact O-N 3.09Å; H192-S204 PolarHBondContact O-OG 2.79Å |
| 193 | T | 97.7 | Very high | 94.5 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.8 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 109 | A181 V182 G202 | A181-T193 CarbonylContact C-O 3.55Å; A181-T193 VanDerWaalsContact CA-O 3.26Å; A181-T193 WeakPolarHBondContact CA-O 3.43Å; V182-T193 PolarHBondContact N-O 2.82Å; V182-T193 PolarHBondContact O-N 2.78Å; V182-T193 VanDerWaalsContact O-O 3.07Å; V182-T193 PolarHBondContact O-OG1 2.86Å; T193-G202 CarbonylContact C-O 3.47Å; T193-G202 VanDerWaalsContact CA-O 3.25Å; T193-G202 WeakPolarHBondContact CA-O 3.48Å |
| 194 | N | 97.2 | Very high | 94.6 | Very high | 33 Ų | 33 | 56 Ų | 56 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.1 | 179.2 | 69.8 | -60.7 | 0 | 0 | 0 | 111.7 | F180 A181 N196 F201 G202 | F180-N194 CarbonylContact O-C 3.6Å; F180-N194 WeakPolarHBondContact O-CA 3.31Å; F180-N194 WeakPolarHBondContact O-CB 3.1Å; A181-N194 HydrophobicContact CB-CB 4.18Å; N194-N196 PolarHBondContact ND2-ND2 3.26Å; N194-N196 PolarHBondContact ND2-OD1 2.86Å; N194-F201 WeakPolarHBondContact O-CA 3.47Å; N194-G202 PolarHBondContact N-O 3.17Å; N194-G202 PolarHBondContact O-N 3.44Å; N194-G202 VanDerWaalsContact OD1-CA 3.23Å; N194-G202 WeakPolarHBondContact OD1-CA 3.11Å; N194-G202 PolarHBondContact OD1-O 2.78Å |
| 195 | V | 97.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 57 Ų | 57 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.2 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 107 | N179 F180 E200 F201 | N179-V195 CarbonylContact C-O 3.54Å; N179-V195 VanDerWaalsContact CA-O 3.31Å; N179-V195 WeakPolarHBondContact CA-O 3.38Å; F180-V195 PolarHBondContact N-O 2.77Å; F180-V195 PolarHBondContact O-N 2.88Å; V195-E200 CarbonylContact C-O 3.53Å; V195-E200 VanDerWaalsContact CA-O 3.28Å; V195-E200 WeakPolarHBondContact CA-O 3.25Å; V195-F201 HydrophobicContact CB-CD1 4.46Å; V195-F201 HydrophobicContact CB-CE1 4.48Å; V195-F201 HydrophobicContact CG1-CD1 4.08Å; V195-F201 HydrophobicContact CG1-CE1 3.74Å; V195-F201 HydrophobicContact CG1-CZ 4.07Å; V195-F201 HydrophobicContact CG2-CD1 3.73Å; V195-F201 HydrophobicContact CG2-CE1 3.91Å |
| 196 | N | 95.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.1 | 175.5 | -49.7 | -32.2 | 0 | 0 | 0 | 109.8 | N179 N194 G198 T199 E200 | N179-N196 WeakPolarHBondContact OD1-CA 3.36Å; N179-N196 WeakPolarHBondContact OD1-CB 3.22Å; N194-N196 PolarHBondContact ND2-ND2 3.26Å; N194-N196 PolarHBondContact ND2-OD1 2.86Å; N196-G198 PolarHBondContact O-N 3.08Å; N196-T199 PolarHBondContact O-N 3.27Å; N196-E200 HydrophobicContact CB-CB 4.11Å; N196-E200 PolarHBondContact N-O 3.18Å; N196-E200 PolarHBondContact ND2-OE2 3.43Å; N196-E200 PolarHBondContact O-N 2.75Å |
| 197 | D | 94.6 | Very high | 95.3 | Very high | 83 Ų | 83 | 55 Ų | 55 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 20.1 | 175.5 | -58.9 | -45.4 | 0 | 0 | 0 | 114.7 | R177 N178 N179 T199 | R177-D197 VanDerWaalsContact CA-OD1 3.27Å; R177-D197 WeakPolarHBondContact CA-OD1 3.26Å; N178-D197 PolarHBondContact N-OD1 2.86Å; N178-D197 WeakPolarHBondContact O-CA 3.42Å; N178-D197 PolarHBondContact O-N 2.91Å; N179-D197 PolarHBondContact OD1-N 2.8Å; D197-T199 PolarHBondContact O-N 2.79Å |
| 198 | G | 91.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 2.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N196 F201 | N196-G198 PolarHBondContact O-N 3.08Å; G198-F201 WeakPolarHBondContact O-CE2 3.44Å; G198-F201 WeakPolarHBondContact O-CZ 3.4Å |
| 199 | T | 93.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -28.6 | -174.7 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | N196 D197 T222 S223 | N196-T199 PolarHBondContact O-N 3.27Å; D197-T199 PolarHBondContact O-N 2.79Å; T199-T222 CarbonylContact O-C 3.5Å; T199-T222 WeakPolarHBondContact O-CA 3.45Å; T199-S223 WeakPolarHBondContact O-CB 3.48Å; T199-S223 PolarHBondContact O-N 2.9Å |
| 200 | E | 95 | Very high | 96 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.2 | 177.2 | -53.3 | -174.6 | 151.9 | 0 | 0 | 110.5 | V195 N196 T222 | V195-E200 CarbonylContact C-O 3.53Å; V195-E200 VanDerWaalsContact CA-O 3.28Å; V195-E200 WeakPolarHBondContact CA-O 3.25Å; N196-E200 HydrophobicContact CB-CB 4.11Å; N196-E200 PolarHBondContact N-O 3.18Å; N196-E200 PolarHBondContact ND2-OE2 3.43Å; N196-E200 PolarHBondContact O-N 2.75Å; E200-T222 HydrophobicContact CG-CG2 4.29Å |
| 201 | F | 96.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.7 | -179.4 | -61.6 | -101.2 | 0 | 0 | 0 | 107.6 | N194 V195 G198 A220 W221 | N194-F201 WeakPolarHBondContact O-CA 3.47Å; V195-F201 HydrophobicContact CB-CD1 4.46Å; V195-F201 HydrophobicContact CB-CE1 4.48Å; V195-F201 HydrophobicContact CG1-CD1 4.08Å; V195-F201 HydrophobicContact CG1-CE1 3.74Å; V195-F201 HydrophobicContact CG1-CZ 4.07Å; V195-F201 HydrophobicContact CG2-CD1 3.73Å; V195-F201 HydrophobicContact CG2-CE1 3.91Å; G198-F201 WeakPolarHBondContact O-CE2 3.44Å; G198-F201 WeakPolarHBondContact O-CZ 3.4Å; F201-A220 CarbonylContact O-C 3.52Å; F201-A220 VanDerWaalsContact O-CA 3.25Å; F201-A220 WeakPolarHBondContact O-CA 3.46Å; F201-W221 HydrophobicContact CB-CE3 4.12Å; F201-W221 AromaticContact CD2-CE3 3.32Å; F201-W221 HydrophobicContact CD2-CE3 3.32Å; F201-W221 AromaticContact CD2-CZ3 3.35Å; F201-W221 HydrophobicContact CD2-CZ3 3.35Å; F201-W221 AromaticContact CE2-CE3 3.98Å; F201-W221 HydrophobicContact CE2-CE3 3.98Å; F201-W221 AromaticContact CE2-CZ3 3.49Å; F201-W221 HydrophobicContact CE2-CZ3 3.49Å; F201-W221 VanDerWaalsContact CE2-CZ3 3.49Å; F201-W221 AromaticContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CZ3 4.19Å; F201-W221 HydrophobicContact CZ-CZ3 4.4Å; F201-W221 PolarHBondContact N-O 3.4Å; F201-W221 PolarHBondContact O-N 2.85Å |
| 202 | G | 96.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T193 N194 L219 | T193-G202 CarbonylContact C-O 3.47Å; T193-G202 VanDerWaalsContact CA-O 3.25Å; T193-G202 WeakPolarHBondContact CA-O 3.48Å; N194-G202 PolarHBondContact N-O 3.17Å; N194-G202 PolarHBondContact O-N 3.44Å; N194-G202 VanDerWaalsContact OD1-CA 3.23Å; N194-G202 WeakPolarHBondContact OD1-CA 3.11Å; N194-G202 PolarHBondContact OD1-O 2.78Å; G202-L219 CarbonylContact C-O 3.55Å; G202-L219 WeakPolarHBondContact CA-O 3.29Å |
| 203 | G | 97.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 131.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H192 N218 L219 | H192-G203 CarbonylContact O-C 3.56Å; H192-G203 WeakPolarHBondContact O-CA 3.43Å; G203-N218 PolarHBondContact O-OD1 3.49Å; G203-L219 PolarHBondContact N-O 2.82Å; G203-L219 PolarHBondContact O-N 3.49Å; G203-L219 VanDerWaalsContact O-O 3.04Å |
| 204 | S | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 60 Ų | 60 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.2 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | H192 V217 | H192-S204 PolarHBondContact N-O 2.89Å; H192-S204 PolarHBondContact O-N 3.09Å; H192-S204 PolarHBondContact O-OG 2.79Å; S204-V217 CarbonylContact C-O 3.57Å; S204-V217 VanDerWaalsContact CA-O 3.24Å; S204-V217 WeakPolarHBondContact CA-O 3.44Å |
| 205 | I | 97.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.5 | 175.5 | -59.3 | 171.2 | 0 | 0 | 0 | 106.3 | Q190 L191 S216 V217 | Q190-I205 CarbonylContact O-C 3.57Å; Q190-I205 WeakPolarHBondContact O-CA 3.25Å; L191-I205 HydrophobicContact CD1-CD1 4.37Å; L191-I205 HydrophobicContact CD1-CG1 3.73Å; I205-S216 CarbonylContact O-C 3.52Å; I205-S216 WeakPolarHBondContact O-CA 3.22Å; I205-S216 WeakPolarHBondContact O-CB 3.36Å; I205-S216 PolarHBondContact O-OG 3.22Å; I205-V217 PolarHBondContact N-O 2.91Å; I205-V217 PolarHBondContact O-N 2.81Å |
| 206 | Y | 97.7 | Very high | 95.9 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.8 | 163.7 | 161.7 | -93 | 0 | 0 | 0 | 107.7 | A24 I28 F189 Q190 K208 D214 T215 | A24-Y206 HydrophobicContact CB-CD1 3.89Å; A24-Y206 HydrophobicContact CB-CD2 4.08Å; A24-Y206 HydrophobicContact CB-CE1 4.36Å; A24-Y206 HydrophobicContact CB-CG 3.73Å; I28-Y206 HydrophobicContact CD1-CD2 4.49Å; I28-Y206 HydrophobicContact CD1-CE2 4.15Å; I28-Y206 HydrophobicContact CG1-CD2 3.87Å; I28-Y206 HydrophobicContact CG1-CE2 4.03Å; F189-Y206 CarbonylContact C-O 3.55Å; F189-Y206 WeakPolarHBondContact CA-O 3.4Å; F189-Y206 WeakPolarHBondContact CB-O 3.34Å; Q190-Y206 HydrophobicContact CB-CD1 4.25Å; Q190-Y206 HydrophobicContact CG-CD1 4.14Å; Q190-Y206 PolarHBondContact N-O 3.35Å; Q190-Y206 PolarHBondContact O-N 3.32Å; Y206-K208 HydrophobicContact CE1-CB 4.5Å; Y206-D214 HydrophobicContact CE2-CB 3.98Å; Y206-D214 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-D214 VanDerWaalsContact CZ-OD1 3.29Å; Y206-D214 PolarHBondContact OH-OD1 3.38Å; Y206-T215 WeakPolarHBondContact CA-O 3.39Å |
| 207 | Q | 97.3 | Very high | 96 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 124.6 | 177.2 | -177.5 | -179.9 | 10.4 | 0 | 0 | 109.6 | F189 V209 T215 | F189-Q207 HydrophobicContact CB-CB 4.36Å; F189-Q207 HydrophobicContact CB-CG 4.39Å; Q207-V209 HydrophobicContact CG-CG2 4.18Å; Q207-V209 PolarHBondContact O-N 2.91Å; Q207-T215 PolarHBondContact N-O 2.83Å; Q207-T215 PolarHBondContact O-N 3.46Å; Q207-T215 PolarHBondContact O-OG1 2.84Å |
| 208 | K | 96.2 | Very high | 96.1 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 99.6 | 165.6 | -172.9 | 173.7 | -174.5 | -174.6 | 0 | 107.8 | D188 Y206 C210 | D188-K208 PolarHBondContact O-N 3.25Å; Y206-K208 HydrophobicContact CE1-CB 4.5Å; K208-C210 VanDerWaalsContact CE-O 3.3Å; K208-C210 WeakPolarHBondContact CE-O 3.46Å; K208-C210 VanDerWaalsContact CG-O 3.22Å; K208-C210 WeakPolarHBondContact CG-O 3.36Å |
| 209 | V | 94.9 | Very high | 96.3 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | trans | -73.9 | -41 | -174.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | Q207 L213 T215 | Q207-V209 HydrophobicContact CG-CG2 4.18Å; Q207-V209 PolarHBondContact O-N 2.91Å; V209-L213 HydrophobicContact CB-CB 4.4Å; V209-L213 HydrophobicContact CB-CD2 4.15Å; V209-L213 HydrophobicContact CB-CG 4.24Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG2-CD2 4.47Å; V209-L213 PolarHBondContact N-O 2.9Å; V209-T215 HydrophobicContact CG2-CG2 3.71Å | ||
| 210 | C | 92.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -148.4 | -174.3 | 170.6 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | K208 D212 L213 | K208-C210 VanDerWaalsContact CE-O 3.3Å; K208-C210 WeakPolarHBondContact CE-O 3.46Å; K208-C210 VanDerWaalsContact CG-O 3.22Å; K208-C210 WeakPolarHBondContact CG-O 3.36Å; C210-D212 PolarHBondContact O-N 3.38Å; C210-L213 PolarHBondContact N-O 3.33Å; C210-L213 PolarHBondContact O-N 2.91Å; C210-L213 VanDerWaalsContact SG-CB 3.51Å; C210-L213 PolarHBondContact SG-N 2.85Å; C210-L213 VanDerWaalsContact SG-N 3.4Å |
| 211 | E | 92.5 | Very high | 96.4 | Very high | 167 Ų | 167 | 58.4 Ų | 58.4 | 78% | 0.78 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -58.9 | -32.9 | 179.6 | -66.7 | -168.1 | 160.7 | 0 | 0 | 113.1 | ||
| 212 | D | 95.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -102.5 | -12.4 | -174.4 | -58.2 | -46.7 | 0 | 0 | 0 | 114.1 | C210 Y236 Q237 | C210-D212 PolarHBondContact O-N 3.38Å; D212-Y236 HydrophobicContact CB-CD2 4.49Å; D212-Y236 HydrophobicContact CB-CE2 4.07Å; D212-Y236 CarbonylContact O-C 3.48Å; D212-Y236 VanDerWaalsContact O-CA 3.29Å; D212-Y236 WeakPolarHBondContact O-CA 3.25Å; D212-Q237 HydrophobicContact CB-CB 4.14Å; D212-Q237 PolarHBondContact O-N 2.77Å |
| 213 | L | 97.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 113.9 | -174.1 | -177.5 | 62.1 | 0 | 0 | 0 | 112.3 | V209 C210 T215 A234 Y236 | V209-L213 HydrophobicContact CB-CB 4.4Å; V209-L213 HydrophobicContact CB-CD2 4.15Å; V209-L213 HydrophobicContact CB-CG 4.24Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG2-CD2 4.47Å; V209-L213 PolarHBondContact N-O 2.9Å; C210-L213 PolarHBondContact N-O 3.33Å; C210-L213 PolarHBondContact O-N 2.91Å; C210-L213 VanDerWaalsContact SG-CB 3.51Å; C210-L213 PolarHBondContact SG-N 2.85Å; C210-L213 VanDerWaalsContact SG-N 3.4Å; L213-T215 HydrophobicContact CD1-CG2 4.3Å; L213-T215 HydrophobicContact CD2-CG2 4.46Å; L213-T215 HydrophobicContact CG-CG2 4.15Å; L213-A234 HydrophobicContact CD1-CB 4.35Å; L213-Y236 HydrophobicContact CB-CD2 4.06Å; L213-Y236 HydrophobicContact CD1-CD2 4.04Å |
| 214 | D | 97.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.1 | 167.5 | -68 | -65 | 0 | 0 | 0 | 110.2 | I28 Y206 A234 K235 | I28-D214 HydrophobicContact CD1-CB 3.73Å; I28-D214 HydrophobicContact CG1-CB 4.44Å; Y206-D214 HydrophobicContact CE2-CB 3.98Å; Y206-D214 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-D214 VanDerWaalsContact CZ-OD1 3.29Å; Y206-D214 PolarHBondContact OH-OD1 3.38Å; D214-A234 CarbonylContact O-C 3.54Å; D214-A234 VanDerWaalsContact O-CA 3.27Å; D214-A234 WeakPolarHBondContact O-CA 3.24Å; D214-K235 HydrophobicContact CB-CB 4.44Å; D214-K235 PolarHBondContact N-O 2.83Å; D214-K235 PolarHBondContact O-N 2.9Å |
| 215 | T | 97.8 | Very high | 95 | Very high | 34 Ų | 34 | 64 Ų | 64 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.2 | 176.5 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | Y206 Q207 V209 L213 A233 A234 | Y206-T215 WeakPolarHBondContact CA-O 3.39Å; Q207-T215 PolarHBondContact N-O 2.83Å; Q207-T215 PolarHBondContact O-N 3.46Å; Q207-T215 PolarHBondContact O-OG1 2.84Å; V209-T215 HydrophobicContact CG2-CG2 3.71Å; L213-T215 HydrophobicContact CD1-CG2 4.3Å; L213-T215 HydrophobicContact CD2-CG2 4.46Å; L213-T215 HydrophobicContact CG-CG2 4.15Å; T215-A233 CarbonylContact C-O 3.57Å; T215-A233 WeakPolarHBondContact CA-O 3.45Å; T215-A234 HydrophobicContact CG2-CB 4.29Å |
| 216 | S | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 141.3 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | A25 F29 I205 I232 A233 | A25-S216 VanDerWaalsContact CA-OG 3.26Å; A25-S216 WeakPolarHBondContact CA-OG 3.13Å; A25-S216 WeakPolarHBondContact CB-OG 3.27Å; A25-S216 PolarHBondContact O-OG 2.77Å; F29-S216 WeakPolarHBondContact CE2-OG 3.28Å; I205-S216 CarbonylContact O-C 3.52Å; I205-S216 WeakPolarHBondContact O-CA 3.22Å; I205-S216 WeakPolarHBondContact O-CB 3.36Å; I205-S216 PolarHBondContact O-OG 3.22Å; S216-I232 CarbonylContact O-C 3.48Å; S216-I232 WeakPolarHBondContact O-CA 3.42Å; S216-A233 PolarHBondContact N-O 2.9Å; S216-A233 PolarHBondContact O-N 2.88Å |
| 217 | V | 97.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.4 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | S204 I205 F230 G231 I232 | S204-V217 CarbonylContact C-O 3.57Å; S204-V217 VanDerWaalsContact CA-O 3.24Å; S204-V217 WeakPolarHBondContact CA-O 3.44Å; I205-V217 PolarHBondContact N-O 2.91Å; I205-V217 PolarHBondContact O-N 2.81Å; V217-F230 HydrophobicContact CG1-CD2 4.4Å; V217-F230 HydrophobicContact CG1-CE2 3.55Å; V217-F230 HydrophobicContact CG1-CZ 4.06Å; V217-G231 WeakPolarHBondContact CA-O 3.19Å; V217-I232 HydrophobicContact CG2-CG1 4.43Å |
| 218 | N | 96.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133 | 175.1 | -169.5 | 39.6 | 0 | 0 | 0 | 110.2 | F29 G203 F230 G231 | F29-N218 HydrophobicContact CD2-CB 4.44Å; F29-N218 HydrophobicContact CE2-CB 3.78Å; F29-N218 HydrophobicContact CZ-CB 3.95Å; G203-N218 PolarHBondContact O-OD1 3.49Å; N218-F230 CarbonylContact O-C 3.6Å; N218-F230 WeakPolarHBondContact O-CA 3.44Å; N218-G231 PolarHBondContact N-O 3.1Å; N218-G231 PolarHBondContact O-N 3.25Å |
| 219 | L | 96.5 | Very high | 93.5 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130 | 176.8 | -175.1 | 74.1 | 0 | 0 | 0 | 108 | G202 G203 T228 R229 F230 | G202-L219 CarbonylContact C-O 3.55Å; G202-L219 WeakPolarHBondContact CA-O 3.29Å; G203-L219 PolarHBondContact N-O 2.82Å; G203-L219 PolarHBondContact O-N 3.49Å; G203-L219 VanDerWaalsContact O-O 3.04Å; L219-T228 HydrophobicContact CD1-CG2 4.06Å; L219-R229 CarbonylContact C-O 3.57Å; L219-R229 WeakPolarHBondContact CA-O 3.39Å; L219-F230 HydrophobicContact CD1-CB 4.12Å; L219-F230 HydrophobicContact CD1-CD2 3.88Å; L219-F230 HydrophobicContact CD1-CG 4.49Å |
| 220 | A | 95.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 20% | 0.198 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | F201 T228 R229 | F201-A220 CarbonylContact O-C 3.52Å; F201-A220 VanDerWaalsContact O-CA 3.25Å; F201-A220 WeakPolarHBondContact O-CA 3.46Å; A220-T228 CarbonylContact O-C 3.49Å; A220-T228 WeakPolarHBondContact O-CA 3.28Å; A220-R229 HydrophobicContact CB-CB 4.39Å; A220-R229 PolarHBondContact N-O 2.89Å; A220-R229 PolarHBondContact O-N 2.81Å |
| 221 | W | 95.1 | Very high | 93.8 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.8 | 178.3 | 173.5 | 77.1 | 0 | 0 | 0 | 109.9 | F201 S223 C227 | F201-W221 HydrophobicContact CB-CE3 4.12Å; F201-W221 AromaticContact CD2-CE3 3.32Å; F201-W221 HydrophobicContact CD2-CE3 3.32Å; F201-W221 AromaticContact CD2-CZ3 3.35Å; F201-W221 HydrophobicContact CD2-CZ3 3.35Å; F201-W221 AromaticContact CE2-CE3 3.98Å; F201-W221 HydrophobicContact CE2-CE3 3.98Å; F201-W221 AromaticContact CE2-CZ3 3.49Å; F201-W221 HydrophobicContact CE2-CZ3 3.49Å; F201-W221 VanDerWaalsContact CE2-CZ3 3.49Å; F201-W221 AromaticContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CZ3 4.19Å; F201-W221 HydrophobicContact CZ-CZ3 4.4Å; F201-W221 PolarHBondContact N-O 3.4Å; F201-W221 PolarHBondContact O-N 2.85Å; W221-S223 VanDerWaalsContact CH2-CB 3.49Å; W221-C227 WeakPolarHBondContact CA-O 3.41Å |
| 222 | T | 94.1 | Very high | 94 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.9 | 177 | -56.7 | 0 | 0 | 0 | 0 | 110 | T199 E200 T225 N226 C227 R229 | T199-T222 CarbonylContact O-C 3.5Å; T199-T222 WeakPolarHBondContact O-CA 3.45Å; E200-T222 HydrophobicContact CG-CG2 4.29Å; T222-T225 PolarHBondContact O-OG1 3.16Å; T222-N226 PolarHBondContact O-N 2.93Å; T222-N226 VanDerWaalsContact O-N 3.13Å; T222-C227 PolarHBondContact N-O 2.72Å; T222-C227 VanDerWaalsContact N-O 3.09Å; T222-R229 PolarHBondContact OG1-NH1 3.02Å |
| 223 | S | 89.3 | Confident | 94.2 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 142.4 | 172.6 | -170.1 | 0 | 0 | 0 | 0 | 111 | T199 W221 T225 | T199-S223 WeakPolarHBondContact O-CB 3.48Å; T199-S223 PolarHBondContact O-N 2.9Å; W221-S223 VanDerWaalsContact CH2-CB 3.49Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 3.43Å |
| 224 | G | 87.5 | Confident | 94.2 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -34.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 225 | T | 88.3 | Confident | 94.3 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.6 | 173.4 | 60 | 0 | 0 | 0 | 0 | 113.2 | T222 S223 C227 | T222-T225 PolarHBondContact O-OG1 3.16Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 3.43Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 VanDerWaalsContact O-N 3.1Å; T225-C227 WeakPolarHBondContact OG1-CB 3.44Å; T225-C227 PolarHBondContact OG1-N 2.73Å |
| 226 | N | 82.6 | Confident | 94.3 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 24.7 | -170.2 | -64.3 | -41.6 | 0 | 0 | 0 | 113.2 | T222 T228 | T222-N226 PolarHBondContact O-N 2.93Å; T222-N226 VanDerWaalsContact O-N 3.13Å; N226-T228 PolarHBondContact O-N 3.25Å |
| 227 | C | 86.8 | Confident | 94.2 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 32% | 0.324 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 111.4 | 179.3 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | W221 T222 T225 | W221-C227 WeakPolarHBondContact CA-O 3.41Å; T222-C227 PolarHBondContact N-O 2.72Å; T222-C227 VanDerWaalsContact N-O 3.09Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 VanDerWaalsContact O-N 3.1Å; T225-C227 WeakPolarHBondContact OG1-CB 3.44Å; T225-C227 PolarHBondContact OG1-N 2.73Å |
| 228 | T | 93.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.8 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 110 | L219 A220 N226 N250 | L219-T228 HydrophobicContact CD1-CG2 4.06Å; A220-T228 CarbonylContact O-C 3.49Å; A220-T228 WeakPolarHBondContact O-CA 3.28Å; N226-T228 PolarHBondContact O-N 3.25Å; T228-N250 PolarHBondContact O-ND2 2.92Å |
| 229 | R | 93.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 65.8 Ų | 65.8 | 48% | 0.475 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.7 | 174.2 | -58.3 | 179.1 | -173 | 94.9 | -0.6 | 107.8 | L219 A220 T222 | L219-R229 CarbonylContact C-O 3.57Å; L219-R229 WeakPolarHBondContact CA-O 3.39Å; A220-R229 HydrophobicContact CB-CB 4.39Å; A220-R229 PolarHBondContact N-O 2.89Å; A220-R229 PolarHBondContact O-N 2.81Å; T222-R229 PolarHBondContact OG1-NH1 3.02Å |
| 230 | F | 96.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.2 | 176.8 | 175 | -97.9 | 0 | 0 | 0 | 109 | V217 N218 L219 I232 N249 N250 | V217-F230 HydrophobicContact CG1-CD2 4.4Å; V217-F230 HydrophobicContact CG1-CE2 3.55Å; V217-F230 HydrophobicContact CG1-CZ 4.06Å; N218-F230 CarbonylContact O-C 3.6Å; N218-F230 WeakPolarHBondContact O-CA 3.44Å; L219-F230 HydrophobicContact CD1-CB 4.12Å; L219-F230 HydrophobicContact CD1-CD2 3.88Å; L219-F230 HydrophobicContact CD1-CG 4.49Å; F230-I232 HydrophobicContact CE1-CD1 3.8Å; F230-I232 HydrophobicContact CE1-CG1 3.66Å; F230-I232 HydrophobicContact CZ-CD1 3.79Å; F230-I232 HydrophobicContact CZ-CG1 3.61Å; F230-N249 CarbonylContact O-C 3.49Å; F230-N249 WeakPolarHBondContact O-CA 3.36Å; F230-N249 VanDerWaalsContact O-CB 3.3Å; F230-N249 WeakPolarHBondContact O-CB 3.27Å; F230-N250 HydrophobicContact CB-CB 4.21Å; F230-N250 PolarHBondContact N-OD1 3.44Å; F230-N250 PolarHBondContact O-N 2.92Å; F230-N250 PolarHBondContact O-OD1 2.85Å |
| 231 | G | 97.6 | Very high | 94 | Very high | 5 Ų | 5 | 69.5 Ų | 69.5 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F29 V217 N218 V248 | F29-G231 VanDerWaalsContact CZ-C 3.49Å; F29-G231 WeakPolarHBondContact CZ-O 3.36Å; V217-G231 WeakPolarHBondContact CA-O 3.19Å; N218-G231 PolarHBondContact N-O 3.1Å; N218-G231 PolarHBondContact O-N 3.25Å; G231-V248 CarbonylContact C-O 3.51Å; G231-V248 WeakPolarHBondContact CA-O 3.36Å |
| 232 | I | 98 | Very high | 94.1 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.5 | 172.4 | -55.5 | 175 | 0 | 0 | 0 | 107 | S216 V217 F230 K247 V248 | S216-I232 CarbonylContact O-C 3.48Å; S216-I232 WeakPolarHBondContact O-CA 3.42Å; V217-I232 HydrophobicContact CG2-CG1 4.43Å; F230-I232 HydrophobicContact CE1-CD1 3.8Å; F230-I232 HydrophobicContact CE1-CG1 3.66Å; F230-I232 HydrophobicContact CZ-CD1 3.79Å; F230-I232 HydrophobicContact CZ-CG1 3.61Å; I232-K247 CarbonylContact O-C 3.52Å; I232-K247 VanDerWaalsContact O-CA 3.24Å; I232-K247 WeakPolarHBondContact O-CA 3.46Å; I232-V248 HydrophobicContact CB-CG1 4.29Å; I232-V248 PolarHBondContact N-O 2.78Å; I232-V248 PolarHBondContact O-N 3.29Å |
| 233 | A | 98.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I28 F29 T215 S216 A246 K247 | I28-A233 HydrophobicContact CG2-CB 3.76Å; F29-A233 HydrophobicContact CD1-CB 3.67Å; F29-A233 HydrophobicContact CD2-CB 3.92Å; F29-A233 HydrophobicContact CE1-CB 3.56Å; F29-A233 HydrophobicContact CE2-CB 3.83Å; F29-A233 HydrophobicContact CG-CB 3.84Å; F29-A233 HydrophobicContact CZ-CB 3.64Å; T215-A233 CarbonylContact C-O 3.57Å; T215-A233 WeakPolarHBondContact CA-O 3.45Å; S216-A233 PolarHBondContact N-O 2.9Å; S216-A233 PolarHBondContact O-N 2.88Å; A233-A246 CarbonylContact C-O 3.5Å; A233-A246 VanDerWaalsContact CA-O 3.24Å; A233-A246 WeakPolarHBondContact CA-O 3.42Å; A233-K247 HydrophobicContact CB-CB 3.68Å |
| 234 | A | 98.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 147.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L213 D214 T215 S245 A246 | L213-A234 HydrophobicContact CD1-CB 4.35Å; D214-A234 CarbonylContact O-C 3.54Å; D214-A234 VanDerWaalsContact O-CA 3.27Å; D214-A234 WeakPolarHBondContact O-CA 3.24Å; T215-A234 HydrophobicContact CG2-CB 4.29Å; A234-S245 CarbonylContact O-C 3.54Å; A234-S245 WeakPolarHBondContact O-CA 3.38Å; A234-A246 PolarHBondContact N-O 3Å; A234-A246 PolarHBondContact O-N 3.31Å |
| 235 | K | 98.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 30% | 0.3 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.2 | 169.9 | -176.6 | -174.3 | 177.2 | -150 | 0 | 108.1 | I28 D214 I244 | I28-K235 HydrophobicContact CD1-CB 4.2Å; D214-K235 HydrophobicContact CB-CB 4.44Å; D214-K235 PolarHBondContact N-O 2.83Å; D214-K235 PolarHBondContact O-N 2.9Å; K235-I244 CarbonylContact C-O 3.56Å; K235-I244 WeakPolarHBondContact CA-O 3.24Å |
| 236 | Y | 97.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.4 | 178 | -173.1 | -104.2 | 0 | 0 | 0 | 110.2 | D212 L213 L238 S243 I244 | D212-Y236 HydrophobicContact CB-CD2 4.49Å; D212-Y236 HydrophobicContact CB-CE2 4.07Å; D212-Y236 CarbonylContact O-C 3.48Å; D212-Y236 VanDerWaalsContact O-CA 3.29Å; D212-Y236 WeakPolarHBondContact O-CA 3.25Å; L213-Y236 HydrophobicContact CB-CD2 4.06Å; L213-Y236 HydrophobicContact CD1-CD2 4.04Å; Y236-L238 HydrophobicContact CD1-CD2 3.9Å; Y236-L238 HydrophobicContact CD1-CG 4.24Å; Y236-L238 HydrophobicContact CE1-CD2 3.91Å; Y236-S243 CarbonylContact O-C 3.57Å; Y236-S243 VanDerWaalsContact O-CA 3.24Å; Y236-S243 WeakPolarHBondContact O-CA 3.41Å; Y236-S243 WeakPolarHBondContact O-CB 3.17Å; Y236-I244 PolarHBondContact N-O 3.09Å; Y236-I244 PolarHBondContact O-N 3.44Å |
| 237 | Q | 97.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.7 | 171.9 | -162.4 | 69.5 | 34.1 | 0 | 0 | 108 | D212 D239 A242 | D212-Q237 HydrophobicContact CB-CB 4.14Å; D212-Q237 PolarHBondContact O-N 2.77Å; Q237-D239 WeakPolarHBondContact CG-O 3.47Å; Q237-D239 PolarHBondContact NE2-O 2.84Å; Q237-A242 PolarHBondContact NE2-O 2.81Å |
| 238 | L | 95.8 | Very high | 96.9 | Very high | 84 Ų | 84 | 56.7 Ų | 56.7 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -42.2 | 179.3 | -72.1 | 166.7 | 0 | 0 | 0 | 111.1 | Y236 A242 I244 Y258 | Y236-L238 HydrophobicContact CD1-CD2 3.9Å; Y236-L238 HydrophobicContact CD1-CG 4.24Å; Y236-L238 HydrophobicContact CE1-CD2 3.91Å; L238-A242 HydrophobicContact CB-CB 4.07Å; L238-A242 HydrophobicContact CD1-CB 4.19Å; L238-A242 PolarHBondContact N-O 2.91Å; L238-I244 HydrophobicContact CD1-CD1 3.7Å; L238-I244 HydrophobicContact CD1-CG1 3.71Å; L238-I244 HydrophobicContact CD2-CD1 4.02Å; L238-I244 HydrophobicContact CG-CD1 4.09Å; L238-I244 HydrophobicContact CG-CG1 4.17Å; L238-Y258 HydrophobicContact CD1-CD2 4.46Å; L238-Y258 HydrophobicContact CD1-CE2 3.94Å |
| 239 | D | 94.9 | Very high | 97 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 173.6 | 178.5 | 66 | 58.1 | 0 | 0 | 0 | 108.5 | Q237 T241 A242 | Q237-D239 WeakPolarHBondContact CG-O 3.47Å; Q237-D239 PolarHBondContact NE2-O 2.84Å; D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 VanDerWaalsContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CA 3.5Å; D239-T241 WeakPolarHBondContact OD1-CB 3.18Å; D239-T241 PolarHBondContact OD1-N 2.83Å; D239-T241 PolarHBondContact OD1-OG1 2.91Å; D239-A242 PolarHBondContact N-O 3.03Å; D239-A242 PolarHBondContact O-N 3.3Å; D239-A242 VanDerWaalsContact O-N 3.16Å; D239-A242 VanDerWaalsContact O-O 3.07Å; D239-A242 WeakPolarHBondContact OD1-CB 3.29Å; D239-A242 PolarHBondContact OD1-N 2.9Å; D239-A242 VanDerWaalsContact OD2-CB 3.29Å; D239-A242 WeakPolarHBondContact OD2-CB 3.16Å |
| 240 | P | 94.2 | Very high | 97 | Very high | 130 Ų | 130 | 53.7 Ų | 53.7 | 84% | 0.844 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -16.8 | -177.6 | -28.2 | 37.1 | 0 | 0 | 0 | 116.1 | ||
| 241 | T | 96 | Very high | 96.8 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 37% | 0.368 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -17 | -178.5 | 66 | 0 | 0 | 0 | 0 | 113.8 | D239 Q260 T261 | D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 VanDerWaalsContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CA 3.5Å; D239-T241 WeakPolarHBondContact OD1-CB 3.18Å; D239-T241 PolarHBondContact OD1-N 2.83Å; D239-T241 PolarHBondContact OD1-OG1 2.91Å; T241-Q260 CarbonylContact O-C 3.57Å; T241-Q260 WeakPolarHBondContact O-CA 3.29Å; T241-Q260 PolarHBondContact OG1-NE2 2.89Å; T241-T261 PolarHBondContact O-N 2.8Å |
| 242 | A | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q237 L238 D239 Y258 T259 | Q237-A242 PolarHBondContact NE2-O 2.81Å; L238-A242 HydrophobicContact CB-CB 4.07Å; L238-A242 HydrophobicContact CD1-CB 4.19Å; L238-A242 PolarHBondContact N-O 2.91Å; D239-A242 PolarHBondContact N-O 3.03Å; D239-A242 PolarHBondContact O-N 3.3Å; D239-A242 VanDerWaalsContact O-N 3.16Å; D239-A242 VanDerWaalsContact O-O 3.07Å; D239-A242 WeakPolarHBondContact OD1-CB 3.29Å; D239-A242 PolarHBondContact OD1-N 2.9Å; D239-A242 VanDerWaalsContact OD2-CB 3.29Å; D239-A242 WeakPolarHBondContact OD2-CB 3.16Å; A242-Y258 HydrophobicContact CB-CE2 4.35Å; A242-T259 CarbonylContact C-O 3.54Å; A242-T259 WeakPolarHBondContact CA-O 3.4Å |
| 243 | S | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.5 | 172 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | Y236 Y258 T259 | Y236-S243 CarbonylContact O-C 3.57Å; Y236-S243 VanDerWaalsContact O-CA 3.24Å; Y236-S243 WeakPolarHBondContact O-CA 3.41Å; Y236-S243 WeakPolarHBondContact O-CB 3.17Å; S243-Y258 WeakPolarHBondContact O-CA 3.35Å; S243-T259 PolarHBondContact N-O 2.85Å; S243-T259 PolarHBondContact O-N 3.34Å |
| 244 | I | 98.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.6 | 171.8 | -66.5 | 174.1 | 0 | 0 | 0 | 108.4 | K235 Y236 L238 G257 Y258 | K235-I244 CarbonylContact C-O 3.56Å; K235-I244 WeakPolarHBondContact CA-O 3.24Å; Y236-I244 PolarHBondContact N-O 3.09Å; Y236-I244 PolarHBondContact O-N 3.44Å; L238-I244 HydrophobicContact CD1-CD1 3.7Å; L238-I244 HydrophobicContact CD1-CG1 3.71Å; L238-I244 HydrophobicContact CD2-CD1 4.02Å; L238-I244 HydrophobicContact CG-CD1 4.09Å; L238-I244 HydrophobicContact CG-CG1 4.17Å; I244-G257 CarbonylContact C-O 3.57Å; I244-G257 WeakPolarHBondContact CA-O 3.32Å; I244-Y258 HydrophobicContact CG1-CD2 4.03Å |
| 245 | S | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.8 | 170.6 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | A234 V256 G257 | A234-S245 CarbonylContact O-C 3.54Å; A234-S245 WeakPolarHBondContact O-CA 3.38Å; S245-V256 CarbonylContact O-C 3.47Å; S245-V256 WeakPolarHBondContact O-CA 3.24Å; S245-G257 PolarHBondContact N-O 2.82Å; S245-G257 PolarHBondContact O-N 3.11Å |
| 246 | A | 98.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A233 A234 G255 | A233-A246 CarbonylContact C-O 3.5Å; A233-A246 VanDerWaalsContact CA-O 3.24Å; A233-A246 WeakPolarHBondContact CA-O 3.42Å; A234-A246 PolarHBondContact N-O 3Å; A234-A246 PolarHBondContact O-N 3.31Å; A246-G255 CarbonylContact C-O 3.52Å; A246-G255 VanDerWaalsContact CA-O 3.28Å; A246-G255 WeakPolarHBondContact CA-O 3.41Å |
| 247 | K | 97.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 19% | 0.191 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150 | 173.1 | 64.8 | 179.9 | 172.9 | -176.7 | 0 | 111.6 | F29 F33 I232 A233 I254 G255 | F29-K247 HydrophobicContact CD1-CB 4.32Å; F29-K247 HydrophobicContact CD1-CD 4.2Å; F29-K247 HydrophobicContact CE1-CB 4.46Å; F29-K247 WeakPolarHBondContact O-CD 3.41Å; F29-K247 PolarHBondContact O-NZ 2.82Å; F33-K247 HydrophobicContact CD2-CD 4.05Å; F33-K247 HydrophobicContact CE1-CD 4.46Å; F33-K247 HydrophobicContact CE1-CG 4.21Å; F33-K247 HydrophobicContact CE2-CD 3.74Å; F33-K247 HydrophobicContact CE2-CG 4.12Å; F33-K247 HydrophobicContact CZ-CB 4.21Å; F33-K247 HydrophobicContact CZ-CD 3.96Å; F33-K247 HydrophobicContact CZ-CG 3.81Å; I232-K247 CarbonylContact O-C 3.52Å; I232-K247 VanDerWaalsContact O-CA 3.24Å; I232-K247 WeakPolarHBondContact O-CA 3.46Å; A233-K247 HydrophobicContact CB-CB 3.68Å; K247-I254 CarbonylContact O-C 3.46Å; K247-I254 WeakPolarHBondContact O-CA 3.47Å; K247-G255 PolarHBondContact N-O 2.81Å; K247-G255 PolarHBondContact O-N 3.4Å |
| 248 | V | 97.7 | Very high | 96.5 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.8 | 175.4 | 63 | 0 | 0 | 0 | 0 | 109.5 | G231 I232 L253 I254 | G231-V248 CarbonylContact C-O 3.51Å; G231-V248 WeakPolarHBondContact CA-O 3.36Å; I232-V248 HydrophobicContact CB-CG1 4.29Å; I232-V248 PolarHBondContact N-O 2.78Å; I232-V248 PolarHBondContact O-N 3.29Å; V248-L253 WeakPolarHBondContact CA-O 3.26Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å |
| 249 | N | 95.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 170.9 | 174.2 | 71.4 | 16.7 | 0 | 0 | 0 | 112.7 | F230 S251 S252 L253 | F230-N249 CarbonylContact O-C 3.49Å; F230-N249 WeakPolarHBondContact O-CA 3.36Å; F230-N249 VanDerWaalsContact O-CB 3.3Å; F230-N249 WeakPolarHBondContact O-CB 3.27Å; N249-S251 PolarHBondContact O-N 2.79Å; N249-S251 VanDerWaalsContact O-N 3.11Å; N249-S251 WeakPolarHBondContact OD1-CA 3.4Å; N249-S251 WeakPolarHBondContact OD1-CB 3.26Å; N249-S251 PolarHBondContact OD1-N 2.78Å; N249-S252 PolarHBondContact O-N 2.85Å; N249-S252 PolarHBondContact OD1-N 2.81Å; N249-L253 PolarHBondContact N-O 2.97Å; N249-L253 WeakPolarHBondContact OD1-CB 3.26Å; N249-L253 PolarHBondContact OD1-N 2.82Å |
| 250 | N | 93.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -0.5 | 177.3 | 68.7 | -27.3 | 0 | 0 | 0 | 114.7 | T228 F230 S252 | T228-N250 PolarHBondContact O-ND2 2.92Å; F230-N250 HydrophobicContact CB-CB 4.21Å; F230-N250 PolarHBondContact N-OD1 3.44Å; F230-N250 PolarHBondContact O-N 2.92Å; F230-N250 PolarHBondContact O-OD1 2.85Å; N250-S252 VanDerWaalsContact C-N 3.34Å |
| 251 | S | 91.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 7.5 | 168.3 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | N249 L253 K277 | N249-S251 PolarHBondContact O-N 2.79Å; N249-S251 VanDerWaalsContact O-N 3.11Å; N249-S251 WeakPolarHBondContact OD1-CA 3.4Å; N249-S251 WeakPolarHBondContact OD1-CB 3.26Å; N249-S251 PolarHBondContact OD1-N 2.78Å; S251-L253 PolarHBondContact O-N 2.79Å; S251-K277 VanDerWaalsContact O-CE 3.29Å; S251-K277 WeakPolarHBondContact O-CE 3.44Å |
| 252 | S | 93.4 | Very high | 96.9 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | trans | 62.7 | 24.7 | -175.8 | -45.6 | 0 | 0 | 0 | 0 | 113.9 | N249 N250 G276 | N249-S252 PolarHBondContact O-N 2.85Å; N249-S252 PolarHBondContact OD1-N 2.81Å; N250-S252 VanDerWaalsContact C-N 3.34Å; S252-G276 VanDerWaalsContact O-CA 3.3Å; S252-G276 WeakPolarHBondContact O-CA 3.44Å; S252-G276 PolarHBondContact O-N 2.85Å | ||
| 253 | L | 95.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.4 | 171.4 | -63.5 | 177.1 | 0 | 0 | 0 | 109.1 | V248 N249 S251 L273 D275 | V248-L253 WeakPolarHBondContact CA-O 3.26Å; N249-L253 PolarHBondContact N-O 2.97Å; N249-L253 WeakPolarHBondContact OD1-CB 3.26Å; N249-L253 PolarHBondContact OD1-N 2.82Å; S251-L253 PolarHBondContact O-N 2.79Å; L253-L273 HydrophobicContact CB-CD1 4.18Å; L253-D275 HydrophobicContact CD2-CB 4.01Å |
| 254 | I | 97 | Very high | 96.7 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.8 | -179.5 | -57.5 | 170 | 0 | 0 | 0 | 108.1 | K247 V248 L273 V274 | K247-I254 CarbonylContact O-C 3.46Å; K247-I254 WeakPolarHBondContact O-CA 3.47Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å; I254-L273 CarbonylContact O-C 3.57Å; I254-L273 WeakPolarHBondContact O-CA 3.33Å; I254-V274 HydrophobicContact CB-CB 4.43Å; I254-V274 PolarHBondContact N-O 2.81Å; I254-V274 PolarHBondContact O-N 2.76Å |
| 255 | G | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A246 K247 A272 | A246-G255 CarbonylContact C-O 3.52Å; A246-G255 VanDerWaalsContact CA-O 3.28Å; A246-G255 WeakPolarHBondContact CA-O 3.41Å; K247-G255 PolarHBondContact N-O 2.81Å; K247-G255 PolarHBondContact O-N 3.4Å; G255-A272 CarbonylContact C-O 3.56Å; G255-A272 WeakPolarHBondContact CA-O 3.38Å |
| 256 | V | 98.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.1 | 170.7 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | S245 S271 A272 | S245-V256 CarbonylContact O-C 3.47Å; S245-V256 WeakPolarHBondContact O-CA 3.24Å; V256-S271 CarbonylContact O-C 3.57Å; V256-S271 VanDerWaalsContact O-CA 3.24Å; V256-S271 WeakPolarHBondContact O-CA 3.29Å; V256-A272 HydrophobicContact CG2-CB 3.9Å; V256-A272 PolarHBondContact N-O 3Å; V256-A272 PolarHBondContact O-N 2.81Å |
| 257 | G | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 138.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110 | I244 S245 L270 | I244-G257 CarbonylContact C-O 3.57Å; I244-G257 WeakPolarHBondContact CA-O 3.32Å; S245-G257 PolarHBondContact N-O 2.82Å; S245-G257 PolarHBondContact O-N 3.11Å; G257-L270 CarbonylContact C-O 3.54Å; G257-L270 VanDerWaalsContact CA-O 3.26Å; G257-L270 WeakPolarHBondContact CA-O 3.2Å |
| 258 | Y | 98.3 | Very high | 96.5 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.3 | 173.1 | 175 | -100.6 | 0 | 0 | 0 | 108.1 | L238 A242 S243 I244 Q260 T269 L270 | L238-Y258 HydrophobicContact CD1-CD2 4.46Å; L238-Y258 HydrophobicContact CD1-CE2 3.94Å; A242-Y258 HydrophobicContact CB-CE2 4.35Å; S243-Y258 WeakPolarHBondContact O-CA 3.35Å; I244-Y258 HydrophobicContact CG1-CD2 4.03Å; Y258-Q260 HydrophobicContact CE1-CB 3.73Å; Y258-Q260 PolarHBondContact OH-OE1 2.85Å; Y258-T269 CarbonylContact O-C 3.59Å; Y258-T269 WeakPolarHBondContact O-CA 3.37Å; Y258-L270 PolarHBondContact N-O 2.93Å; Y258-L270 PolarHBondContact O-N 3.36Å |
| 259 | T | 98.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.7 | -179.6 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | A242 S243 K267 L268 T269 | A242-T259 CarbonylContact C-O 3.54Å; A242-T259 WeakPolarHBondContact CA-O 3.4Å; S243-T259 PolarHBondContact N-O 2.85Å; S243-T259 PolarHBondContact O-N 3.34Å; T259-K267 HydrophobicContact CG2-CD 3.93Å; T259-K267 HydrophobicContact CG2-CG 3.83Å; T259-L268 CarbonylContact C-O 3.57Å; T259-L268 WeakPolarHBondContact CA-O 3.36Å; T259-T269 WeakPolarHBondContact CG2-OG1 3.3Å; T259-T269 WeakPolarHBondContact OG1-CG2 3.34Å; T259-T269 PolarHBondContact OG1-OG1 3.4Å |
| 260 | Q | 98.2 | Very high | 96.7 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125 | -179.3 | -177.8 | 65 | 39.6 | 0 | 0 | 110.3 | T241 Y258 L262 K267 L268 | T241-Q260 CarbonylContact O-C 3.57Å; T241-Q260 WeakPolarHBondContact O-CA 3.29Å; T241-Q260 PolarHBondContact OG1-NE2 2.89Å; Y258-Q260 HydrophobicContact CE1-CB 3.73Å; Y258-Q260 PolarHBondContact OH-OE1 2.85Å; Q260-L262 HydrophobicContact CG-CD2 3.86Å; Q260-L262 PolarHBondContact O-N 2.88Å; Q260-K267 WeakPolarHBondContact O-CA 3.45Å; Q260-L268 PolarHBondContact N-O 3.05Å; Q260-L268 PolarHBondContact O-N 3.11Å |
| 261 | T | 97.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 111.2 | 163.3 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | T241 R263 | T241-T261 PolarHBondContact O-N 2.8Å; T261-R263 WeakPolarHBondContact CG2-O 3.46Å |
| 262 | L | 96.4 | Very high | 97.1 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -37.1 | -178 | -62.5 | 176.8 | 0 | 0 | 0 | 111.2 | Q260 V266 L268 | Q260-L262 HydrophobicContact CG-CD2 3.86Å; Q260-L262 PolarHBondContact O-N 2.88Å; L262-V266 HydrophobicContact CB-CG1 4.19Å; L262-V266 HydrophobicContact CD1-CG1 4.1Å; L262-V266 PolarHBondContact N-O 2.97Å; L262-L268 HydrophobicContact CD1-CB 4.12Å; L262-L268 HydrophobicContact CG-CB 4.35Å |
| 263 | R | 95.5 | Very high | 97.3 | Very high | 173 Ų | 173 | 52.4 Ų | 52.4 | 65% | 0.653 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 167.8 | 172.1 | 64.2 | 175.8 | -162 | -174.5 | 4.6 | 108.6 | T261 G265 V266 | T261-R263 WeakPolarHBondContact CG2-O 3.46Å; R263-G265 PolarHBondContact O-N 2.64Å; R263-V266 HydrophobicContact CG-CB 3.72Å; R263-V266 HydrophobicContact CG-CG2 3.62Å; R263-V266 PolarHBondContact O-N 3.37Å; R263-V266 VanDerWaalsContact O-O 3.08Å |
| 264 | P | 95.1 | Very high | 97.3 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 129.6 | 173 | -27.6 | 36.4 | 0 | 0 | 0 | 111.3 | V266 | P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.85Å |
| 265 | G | 95 | Very high | 97.2 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 4.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R263 L292 E293 | R263-G265 PolarHBondContact O-N 2.64Å; G265-L292 CarbonylContact O-C 3.55Å; G265-L292 VanDerWaalsContact O-CA 3.26Å; G265-L292 WeakPolarHBondContact O-CA 3.18Å; G265-E293 VanDerWaalsContact CA-O 3.26Å; G265-E293 WeakPolarHBondContact CA-O 3.41Å; G265-E293 PolarHBondContact O-N 3.14Å |
| 266 | V | 97.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 115.7 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | L262 R263 P264 L290 E291 L292 | L262-V266 HydrophobicContact CB-CG1 4.19Å; L262-V266 HydrophobicContact CD1-CG1 4.1Å; L262-V266 PolarHBondContact N-O 2.97Å; R263-V266 HydrophobicContact CG-CB 3.72Å; R263-V266 HydrophobicContact CG-CG2 3.62Å; R263-V266 PolarHBondContact O-N 3.37Å; R263-V266 VanDerWaalsContact O-O 3.08Å; P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.85Å; V266-L290 HydrophobicContact CG1-CD1 4.12Å; V266-E291 WeakPolarHBondContact CA-O 3.49Å; V266-L292 HydrophobicContact CB-CD2 4.15Å; V266-L292 HydrophobicContact CG1-CD2 3.74Å; V266-L292 HydrophobicContact CG2-CD2 3.77Å |
| 267 | K | 97.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.7 | -176.9 | 175.8 | 173.8 | 154.7 | -121.6 | 0 | 110.9 | T259 Q260 E291 | T259-K267 HydrophobicContact CG2-CD 3.93Å; T259-K267 HydrophobicContact CG2-CG 3.83Å; Q260-K267 WeakPolarHBondContact O-CA 3.45Å; K267-E291 HydrophobicContact CB-CB 4.25Å; K267-E291 PolarHBondContact N-O 2.93Å; K267-E291 VanDerWaalsContact NZ-CD 3.29Å; K267-E291 IonicContact NZ-OE1 2.78Å; K267-E291 PolarHBondContact NZ-OE1 3.11Å; K267-E291 IonicContact NZ-OE2 2.69Å; K267-E291 PolarHBondContact NZ-OE2 3.26Å; K267-E291 PolarHBondContact O-N 3.13Å |
| 268 | L | 98.1 | Very high | 96 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.6 | 179.1 | 179.6 | 69.2 | 0 | 0 | 0 | 109.3 | T259 Q260 L262 L288 L290 | T259-L268 CarbonylContact C-O 3.57Å; T259-L268 WeakPolarHBondContact CA-O 3.36Å; Q260-L268 PolarHBondContact N-O 3.05Å; Q260-L268 PolarHBondContact O-N 3.11Å; L262-L268 HydrophobicContact CD1-CB 4.12Å; L262-L268 HydrophobicContact CG-CB 4.35Å; L268-L288 HydrophobicContact CD1-CD1 4.4Å; L268-L288 HydrophobicContact CD1-CG 4.3Å; L268-L290 HydrophobicContact CD1-CD1 4.4Å |
| 269 | T | 98.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.5 | 173.2 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | Y258 T259 L288 A289 | Y258-T269 CarbonylContact O-C 3.59Å; Y258-T269 WeakPolarHBondContact O-CA 3.37Å; T259-T269 WeakPolarHBondContact CG2-OG1 3.3Å; T259-T269 WeakPolarHBondContact OG1-CG2 3.34Å; T259-T269 PolarHBondContact OG1-OG1 3.4Å; T269-L288 CarbonylContact O-C 3.53Å; T269-L288 WeakPolarHBondContact O-CA 3.29Å; T269-A289 PolarHBondContact N-O 3.25Å; T269-A289 PolarHBondContact O-N 3.45Å |
| 270 | L | 98.2 | Very high | 95 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.1 | 169.6 | -60.5 | 176.2 | 0 | 0 | 0 | 108.3 | G257 Y258 L288 | G257-L270 CarbonylContact C-O 3.54Å; G257-L270 VanDerWaalsContact CA-O 3.26Å; G257-L270 WeakPolarHBondContact CA-O 3.2Å; Y258-L270 PolarHBondContact N-O 2.93Å; Y258-L270 PolarHBondContact O-N 3.36Å; L270-L288 HydrophobicContact CD2-CB 4.37Å; L270-L288 HydrophobicContact CD2-CD1 3.63Å; L270-L288 HydrophobicContact CD2-CG 4.1Å |
| 271 | S | 98 | Very high | 94.3 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.4 | 176.9 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | G34 V256 V286 G287 | G34-S271 PolarHBondContact N-OG 3.4Å; V256-S271 CarbonylContact O-C 3.57Å; V256-S271 VanDerWaalsContact O-CA 3.24Å; V256-S271 WeakPolarHBondContact O-CA 3.29Å; S271-V286 CarbonylContact O-C 3.52Å; S271-V286 WeakPolarHBondContact O-CA 3.28Å; S271-G287 PolarHBondContact N-O 3.11Å; S271-G287 PolarHBondContact O-N 2.84Å |
| 272 | A | 97.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F35 G255 V256 K285 | F35-A272 VanDerWaalsContact CE1-C 3.44Å; F35-A272 WeakPolarHBondContact CE1-O 3.26Å; G255-A272 CarbonylContact C-O 3.56Å; G255-A272 WeakPolarHBondContact CA-O 3.38Å; V256-A272 HydrophobicContact CG2-CB 3.9Å; V256-A272 PolarHBondContact N-O 3Å; V256-A272 PolarHBondContact O-N 2.81Å; A272-K285 CarbonylContact C-O 3.54Å; A272-K285 VanDerWaalsContact CA-O 3.22Å; A272-K285 WeakPolarHBondContact CA-O 3.24Å |
| 273 | L | 97.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.3 | 172.1 | -176.1 | 67.6 | 0 | 0 | 0 | 108.3 | F35 L253 I254 H284 K285 | F35-L273 HydrophobicContact CB-CB 4.06Å; F35-L273 HydrophobicContact CD1-CB 3.78Å; F35-L273 HydrophobicContact CD2-CB 3.85Å; F35-L273 HydrophobicContact CD2-CD1 4.05Å; F35-L273 HydrophobicContact CD2-CD2 4.01Å; F35-L273 HydrophobicContact CD2-CG 4.2Å; F35-L273 HydrophobicContact CE1-CB 4.11Å; F35-L273 HydrophobicContact CE2-CB 4.16Å; F35-L273 HydrophobicContact CE2-CD1 3.74Å; F35-L273 HydrophobicContact CE2-CG 4.37Å; F35-L273 HydrophobicContact CG-CB 3.65Å; F35-L273 HydrophobicContact CG-CD2 4.4Å; F35-L273 HydrophobicContact CG-CG 4.47Å; F35-L273 HydrophobicContact CZ-CB 4.28Å; F35-L273 HydrophobicContact CZ-CD1 4.14Å; L253-L273 HydrophobicContact CB-CD1 4.18Å; I254-L273 CarbonylContact O-C 3.57Å; I254-L273 WeakPolarHBondContact O-CA 3.33Å; L273-H284 CarbonylContact O-C 3.55Å; L273-H284 WeakPolarHBondContact O-CA 3.22Å; L273-H284 WeakPolarHBondContact O-CB 3.41Å; L273-K285 HydrophobicContact CB-CB 4.2Å; L273-K285 PolarHBondContact N-O 2.91Å; L273-K285 PolarHBondContact O-N 3.28Å |
| 274 | V | 96.2 | Very high | 93 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.8 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | I254 | I254-V274 HydrophobicContact CB-CB 4.43Å; I254-V274 PolarHBondContact N-O 2.81Å; I254-V274 PolarHBondContact O-N 2.76Å |
| 275 | D | 94.4 | Very high | 93 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 103.8 | 172.5 | -172.4 | -25.9 | 0 | 0 | 0 | 108.4 | L253 K277 S278 I279 H284 | L253-D275 HydrophobicContact CD2-CB 4.01Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 WeakPolarHBondContact OD1-CB 3.48Å; D275-K277 PolarHBondContact OD1-N 2.69Å; D275-S278 CarbonylContact O-C 3.43Å; D275-S278 PolarHBondContact O-N 2.78Å; D275-S278 PolarHBondContact OD1-N 2.79Å; D275-I279 WeakPolarHBondContact O-CG1 3.36Å; D275-I279 PolarHBondContact O-N 2.79Å; D275-I279 VanDerWaalsContact O-N 3.14Å; D275-H284 PolarHBondContact N-CE1 3.26Å; D275-H284 PolarHBondContact N-ND1 2.75Å; D275-H284 VanDerWaalsContact N-ND1 3.11Å |
| 276 | G | 91 | Very high | 93 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -69.2 | -19.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S252 | S252-G276 VanDerWaalsContact O-CA 3.3Å; S252-G276 WeakPolarHBondContact O-CA 3.44Å; S252-G276 PolarHBondContact O-N 2.85Å |
| 277 | K | 89.9 | Confident | 93 | Very high | 143 Ų | 143 | 60.5 Ų | 60.5 | 62% | 0.622 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -80.9 | -27.8 | 174.2 | -67.1 | -178.9 | 179.9 | 175 | 0 | 111.7 | S251 D275 | S251-K277 VanDerWaalsContact O-CE 3.29Å; S251-K277 WeakPolarHBondContact O-CE 3.44Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 WeakPolarHBondContact OD1-CB 3.48Å; D275-K277 PolarHBondContact OD1-N 2.69Å |
| 278 | S | 88.5 | Confident | 93 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -124.6 | 36.5 | -171.1 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | D275 N280 A281 G282 | D275-S278 CarbonylContact O-C 3.43Å; D275-S278 PolarHBondContact O-N 2.78Å; D275-S278 PolarHBondContact OD1-N 2.79Å; S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 VanDerWaalsContact O-N 3.11Å; S278-A281 PolarHBondContact O-N 2.81Å; S278-G282 PolarHBondContact O-N 2.8Å; S278-G282 VanDerWaalsContact O-N 3.13Å |
| 279 | I | 86.3 | Confident | 93 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -41.2 | -177.2 | -63.7 | 173.2 | 0 | 0 | 0 | 112.8 | D275 H284 | D275-I279 WeakPolarHBondContact O-CG1 3.36Å; D275-I279 PolarHBondContact O-N 2.79Å; D275-I279 VanDerWaalsContact O-N 3.14Å; I279-H284 PolarHBondContact O-NE2 2.94Å |
| 280 | N | 88.2 | Confident | 92.9 | Very high | 170 Ų | 170 | 61.3 Ų | 61.3 | 91% | 0.909 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -18.9 | -179.4 | -63 | -24.2 | 0 | 0 | 0 | 113.4 | S278 | S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 VanDerWaalsContact O-N 3.11Å |
| 281 | A | 83.9 | Confident | 92.9 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S278 | S278-A281 PolarHBondContact O-N 2.81Š|
| 282 | G | 84 | Confident | 92.9 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | trans | 85 | -143.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S278 H284 | S278-G282 PolarHBondContact O-N 2.8Å; S278-G282 VanDerWaalsContact O-N 3.13Å; G282-H284 PolarHBondContact O-N 2.74Å | ||
| 283 | G | 84.4 | Confident | 92.8 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | trans | 79.1 | 3.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 284 | H | 92.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 38% | 0.375 | 44% | 0.435 | S | S | . | . | trans | -69.8 | 145.7 | 172.3 | -53.2 | -30 | 0 | 0 | 0 | 110.6 | L273 D275 I279 G282 | L273-H284 CarbonylContact O-C 3.55Å; L273-H284 WeakPolarHBondContact O-CA 3.22Å; L273-H284 WeakPolarHBondContact O-CB 3.41Å; D275-H284 PolarHBondContact N-CE1 3.26Å; D275-H284 PolarHBondContact N-ND1 2.75Å; D275-H284 VanDerWaalsContact N-ND1 3.11Å; I279-H284 PolarHBondContact O-NE2 2.94Å; G282-H284 PolarHBondContact O-N 2.74Å | ||
| 285 | K | 95.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 73.9 Ų | 73.9 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.1 | 179 | -55.1 | -165.5 | -178 | -157.1 | 0 | 110 | F35 D61 A272 L273 | F35-K285 HydrophobicContact CB-CB 4.04Å; F35-K285 HydrophobicContact CB-CD 4.48Å; D61-K285 WeakPolarHBondContact OD2-CE 3.37Å; D61-K285 IonicContact OD2-NZ 2.8Å; D61-K285 PolarHBondContact OD2-NZ 3.39Å; A272-K285 CarbonylContact C-O 3.54Å; A272-K285 VanDerWaalsContact CA-O 3.22Å; A272-K285 WeakPolarHBondContact CA-O 3.24Å; L273-K285 HydrophobicContact CB-CB 4.2Å; L273-K285 PolarHBondContact N-O 2.91Å; L273-K285 PolarHBondContact O-N 3.28Å |
| 286 | V | 95.8 | Very high | 92.2 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.9 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | G36 S271 | G36-V286 VanDerWaalsContact CA-O 3.29Å; G36-V286 WeakPolarHBondContact CA-O 3.3Å; G36-V286 PolarHBondContact N-O 2.82Å; S271-V286 CarbonylContact O-C 3.52Å; S271-V286 WeakPolarHBondContact O-CA 3.28Å |
| 287 | G | 97.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 78.5 Ų | 78.5 | 2% | 0.021 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | G34 L37 S271 | G34-G287 WeakPolarHBondContact O-CA 3.47Å; L37-G287 CarbonylContact O-C 3.6Å; L37-G287 VanDerWaalsContact O-CA 3.26Å; L37-G287 WeakPolarHBondContact O-CA 3.42Å; S271-G287 PolarHBondContact N-O 3.11Å; S271-G287 PolarHBondContact O-N 2.84Å |
| 288 | L | 97.8 | Very high | 92.4 | Very high | 70 Ų | 70 | 74.7 Ų | 74.7 | 37% | 0.366 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127.4 | 176.1 | -179.5 | 137.8 | 0 | 0 | 0 | 108.2 | L37 V38 K39 L268 T269 L270 | L37-L288 PolarHBondContact O-N 3.43Å; V38-L288 CarbonylContact C-O 3.53Å; V38-L288 VanDerWaalsContact CA-O 3.26Å; V38-L288 WeakPolarHBondContact CA-O 3.35Å; V38-L288 HydrophobicContact CG1-CD2 4.13Å; K39-L288 PolarHBondContact N-O 2.83Å; L268-L288 HydrophobicContact CD1-CD1 4.4Å; L268-L288 HydrophobicContact CD1-CG 4.3Å; T269-L288 CarbonylContact O-C 3.53Å; T269-L288 WeakPolarHBondContact O-CA 3.29Å; L270-L288 HydrophobicContact CD2-CB 4.37Å; L270-L288 HydrophobicContact CD2-CD1 3.63Å; L270-L288 HydrophobicContact CD2-CG 4.1Å |
| 289 | A | 97.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 11% | 0.107 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K39 T269 | K39-A289 HydrophobicContact CB-CB 4.04Å; K39-A289 CarbonylContact O-C 3.56Å; K39-A289 VanDerWaalsContact O-CA 3.28Å; K39-A289 WeakPolarHBondContact O-CA 3.47Å; T269-A289 PolarHBondContact N-O 3.25Å; T269-A289 PolarHBondContact O-N 3.45Å |
| 290 | L | 97.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.7 | 171.9 | -176.4 | 64.3 | 0 | 0 | 0 | 108.8 | K39 L40 D41 V266 L268 L292 | K39-L290 PolarHBondContact O-N 3.37Å; L40-L290 CarbonylContact C-O 3.57Å; L40-L290 WeakPolarHBondContact CA-O 3.36Å; L40-L290 HydrophobicContact CD1-CB 3.98Å; L40-L290 HydrophobicContact CD1-CD2 3.94Å; L40-L290 HydrophobicContact CD1-CG 4.06Å; D41-L290 PolarHBondContact N-O 2.77Å; V266-L290 HydrophobicContact CG1-CD1 4.12Å; L268-L290 HydrophobicContact CD1-CD1 4.4Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD1 4.44Å; L290-L292 HydrophobicContact CD2-CD2 4.24Å; L290-L292 HydrophobicContact CD2-CG 4.41Å; L290-L292 HydrophobicContact CG-CD2 4.04Å; L290-L292 HydrophobicContact CG-CG 4.21Å |
| 291 | E | 97.9 | Very high | 93.4 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.1 | 175.3 | -66.6 | 170.3 | -148.5 | 0 | 0 | 108.4 | D41 V266 K267 | D41-E291 HydrophobicContact CB-CG 4.34Å; D41-E291 CarbonylContact O-C 3.53Å; D41-E291 WeakPolarHBondContact O-CA 3.3Å; V266-E291 WeakPolarHBondContact CA-O 3.49Å; K267-E291 HydrophobicContact CB-CB 4.25Å; K267-E291 PolarHBondContact N-O 2.93Å; K267-E291 VanDerWaalsContact NZ-CD 3.29Å; K267-E291 IonicContact NZ-OE1 2.78Å; K267-E291 PolarHBondContact NZ-OE1 3.11Å; K267-E291 IonicContact NZ-OE2 2.69Å; K267-E291 PolarHBondContact NZ-OE2 3.26Å; K267-E291 PolarHBondContact O-N 3.13Å |
| 292 | L | 97.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 29% | 0.293 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.9 | 176.4 | -56 | 178.7 | 0 | 0 | 0 | 109.2 | L40 D41 V42 K43 G265 V266 L290 | L40-L292 HydrophobicContact CD1-CD1 4.16Å; L40-L292 HydrophobicContact CD1-CG 4.42Å; D41-L292 PolarHBondContact O-N 3.43Å; V42-L292 CarbonylContact C-O 3.47Å; V42-L292 WeakPolarHBondContact CA-O 3.44Å; V42-L292 HydrophobicContact CG1-CB 4.33Å; V42-L292 HydrophobicContact CG2-CB 4.31Å; V42-L292 HydrophobicContact CG2-CD1 4.13Å; K43-L292 PolarHBondContact N-O 2.86Å; G265-L292 CarbonylContact O-C 3.55Å; G265-L292 VanDerWaalsContact O-CA 3.26Å; G265-L292 WeakPolarHBondContact O-CA 3.18Å; V266-L292 HydrophobicContact CB-CD2 4.15Å; V266-L292 HydrophobicContact CG1-CD2 3.74Å; V266-L292 HydrophobicContact CG2-CD2 3.77Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD1 4.44Å; L290-L292 HydrophobicContact CD2-CD2 4.24Å; L290-L292 HydrophobicContact CD2-CG 4.41Å; L290-L292 HydrophobicContact CG-CD2 4.04Å; L290-L292 HydrophobicContact CG-CG 4.21Å |
| 293 | E | 95.7 | Very high | 95 | Very high | 133 Ų | 133 | 69.3 Ų | 69.3 | 62% | 0.621 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 127.6 | 177.9 | -171.7 | 167.2 | -170.3 | 0 | 0 | 109.6 | K43 G265 | K43-E293 HydrophobicContact CB-CG 4.26Å; K43-E293 CarbonylContact O-C 3.51Å; K43-E293 VanDerWaalsContact O-CA 3.29Å; K43-E293 WeakPolarHBondContact O-CA 3.28Å; G265-E293 VanDerWaalsContact CA-O 3.26Å; G265-E293 WeakPolarHBondContact CA-O 3.41Å; G265-E293 PolarHBondContact O-N 3.14Å |
| 294 | A | 89.7 | Confident | 95.9 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 98% | 0.983 | 39% | 0.393 | S | S | * | . | trans | -139.7 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K43 T44 K45 | K43-A294 PolarHBondContact O-N 3.15Å; T44-A294 CarbonylContact C-O 3.48Å; T44-A294 VanDerWaalsContact CA-O 3.23Å; T44-A294 WeakPolarHBondContact CA-O 3.34Å; T44-A294 HydrophobicContact CG2-CB 4.41Å; K45-A294 PolarHBondContact N-O 3.2Å |
Retrieved 294 of 294 residues in 1306.1 ms
(Link to these results)