| 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 | P | 37.9 | Very low | 43.9 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 100% | 1.169 | 79% | 0.791 | S | S | * | * | 0 | 95.6 | 0 | 14.1 | 10 | 0 | 0 | 0 | 109.7 | G3 | P1-G3 PolarHBondContact O-N 2.62Š| |||
| 2 | F | 34.8 | Very low | 47.7 | Very low | 219 Ų | 219 | 121 Ų | 121 | 96% | 0.961 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 107.9 | -175.6 | -73 | -92.2 | 0 | 0 | 0 | 110.7 | G4 | F2-G4 PolarHBondContact O-N 2.98Š| ||
| 3 | G | 37 | Very low | 51.3 | Low | 78 Ų | 78 | 117.4 Ų | 117.4 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -79.3 | 92.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P1 | P1-G3 PolarHBondContact O-N 2.62Š| ||
| 4 | G | 31.6 | Very low | 54.5 | Low | 57 Ų | 57 | 110.2 Ų | 110.2 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | -64.1 | 146 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F2 L6 | F2-G4 PolarHBondContact O-N 2.98Å; G4-L6 PolarHBondContact O-N 2.88Å | ||
| 5 | P | 38.3 | Very low | 57.3 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 83% | 0.831 | 64% | 0.644 | S | S | * | * | trans | -63.6 | 124.8 | 174.4 | 26.6 | -30.2 | 0 | 0 | 0 | 108.1 | S7 | P5-S7 PolarHBondContact O-N 2.75Š| ||
| 6 | L | 39.2 | Very low | 59.9 | Low | 177 Ų | 177 | 100.2 Ų | 100.2 | 93% | 0.927 | 61% | 0.606 | S | S | * | * | trans | -50.8 | 109.4 | 161.6 | -82.2 | 143.4 | 0 | 0 | 0 | 106.6 | G4 S8 | G4-L6 PolarHBondContact O-N 2.88Å; L6-S8 PolarHBondContact O-N 2.81Å | ||
| 7 | S | 39.3 | Very low | 62.1 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | trans | -54.3 | 111.9 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 107.1 | P5 E9 | P5-S7 PolarHBondContact O-N 2.75Å; S7-E9 PolarHBondContact O-N 2.9Å | ||
| 8 | S | 41.8 | Very low | 64.1 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 70% | 0.699 | 57% | 0.569 | S | S | * | * | trans | -54.6 | 109.3 | 167.4 | 55.6 | 0 | 0 | 0 | 0 | 106.5 | L6 M10 | L6-S8 PolarHBondContact O-N 2.81Å; S8-M10 PolarHBondContact O-N 2.8Å | ||
| 9 | E | 48.8 | Very low | 65.8 | Low | 183 Ų | 183 | 100 Ų | 100 | 86% | 0.855 | 58% | 0.58 | S | S | * | * | trans | -48.8 | 117.4 | 171.9 | -92 | -174.3 | 138.6 | 0 | 0 | 107.5 | S7 S11 | S7-E9 PolarHBondContact O-N 2.9Å; E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.81Å | ||
| 10 | M | 56.7 | Low | 67.3 | Low | 135 Ų | 135 | 99 Ų | 99 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | trans | -60.8 | 99.1 | 174.1 | -77.1 | -164.6 | -96.7 | 0 | 0 | 107.2 | S8 V12 | S8-M10 PolarHBondContact O-N 2.8Å; M10-V12 PolarHBondContact O-N 3.08Å | ||
| 11 | S | 77.8 | Confident | 68.6 | Low | 65 Ų | 65 | 99.1 Ų | 99.1 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -72.1 | 79.2 | -178.6 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | E9 | E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.81Å | ||
| 12 | V | 89.7 | Confident | 71.2 | Confident | 23 Ų | 23 | 95.6 Ų | 95.6 | 14% | 0.139 | 55% | 0.55 | C | S | . | . | trans | -81.3 | 124 | 166.5 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | M10 L37 C38 L43 L142 | M10-V12 PolarHBondContact O-N 3.08Å; V12-L37 HydrophobicContact CG1-CD2 4.39Å; V12-C38 WeakPolarHBondContact CA-O 3.36Å; V12-L43 HydrophobicContact CB-CD2 4.48Å; V12-L43 HydrophobicContact CG1-CD2 3.65Å; V12-L43 HydrophobicContact CG2-CD1 4.25Å; V12-L43 HydrophobicContact CG2-CD2 4.03Å; V12-L142 HydrophobicContact CB-CD1 3.84Å; V12-L142 HydrophobicContact CG1-CD1 3.41Å; V12-L142 VanDerWaalsContact CG1-CD1 3.41Å | ||
| 13 | T | 93.5 | Very high | 74.1 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | L37 C38 | T13-L37 WeakPolarHBondContact O-CA 3.39Å; T13-C38 PolarHBondContact N-O 3.44Å; T13-C38 PolarHBondContact O-N 2.81Å; T13-C38 VanDerWaalsContact OG1-CB 3.3Å; T13-C38 WeakPolarHBondContact OG1-CB 3.46Å |
| 14 | L | 96.4 | Very high | 76.9 | Confident | 17 Ų | 17 | 86.8 Ų | 86.8 | 9% | 0.089 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.8 | 173.6 | 175.7 | 66.7 | 0 | 0 | 0 | 108.8 | V35 L37 C131 L133 L142 R144 | L14-V35 HydrophobicContact CD1-CG1 3.57Å; L14-L37 HydrophobicContact CB-CD2 4.19Å; L14-L37 HydrophobicContact CD1-CD2 3.7Å; L14-L37 HydrophobicContact CD1-CG 3.93Å; L14-C131 HydrophobicContact CD2-CB 4.21Å; L14-L133 HydrophobicContact CD2-CB 4.18Å; L14-L142 HydrophobicContact CB-CB 4.44Å; L14-L142 HydrophobicContact CD2-CB 4.17Å; L14-R144 HydrophobicContact CD2-CB 4.11Å; L14-R144 HydrophobicContact CG-CB 4.01Å; L14-R144 WeakPolarHBondContact O-CD 3.39Å |
| 15 | D | 97.2 | Very high | 80 | Confident | 52 Ų | 52 | 84.3 Ų | 84.3 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.5 | 179.9 | -161.2 | 30 | 0 | 0 | 0 | 112.6 | K17 V35 T36 R144 | D15-K17 WeakPolarHBondContact OD2-CE 3.02Å; D15-V35 CarbonylContact O-C 3.51Å; D15-V35 WeakPolarHBondContact O-CA 3.43Å; D15-T36 PolarHBondContact N-O 2.75Å; D15-T36 PolarHBondContact O-N 2.91Å; D15-R144 IonicContact OD1-NE 3.35Å; D15-R144 PolarHBondContact OD1-NE 2.96Å; D15-R144 IonicContact OD1-NH2 3.96Å |
| 16 | I | 98.2 | Very high | 82.7 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.8 | 175.5 | -57.5 | 171.3 | 0 | 0 | 0 | 107.9 | L50 F102 L129 C131 R144 C146 | I16-L50 HydrophobicContact CD1-CD1 3.96Å; I16-L50 HydrophobicContact CG1-CD1 4.45Å; I16-F102 HydrophobicContact CG2-CE1 3.96Å; I16-F102 HydrophobicContact CG2-CZ 3.91Å; I16-L129 HydrophobicContact CD1-CB 4.11Å; I16-L129 HydrophobicContact CG2-CB 4.44Å; I16-L129 HydrophobicContact CG2-CD1 3.98Å; I16-C131 HydrophobicContact CD1-CB 3.82Å; I16-C131 HydrophobicContact CG1-CB 3.97Å; I16-R144 WeakPolarHBondContact CD1-O 3.44Å; I16-R144 HydrophobicContact CG1-CG 4.43Å; I16-C146 HydrophobicContact CB-CB 3.99Å; I16-C146 HydrophobicContact CD1-CB 4.21Å; I16-C146 HydrophobicContact CG2-CB 4.08Å |
| 17 | K | 97.3 | Very high | 85.3 | Confident | 95 Ų | 95 | 74.9 Ų | 74.9 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.3 | 177.9 | -64 | -175.8 | -179.1 | -178.8 | 0 | 110.2 | D15 G33 V34 | D15-K17 WeakPolarHBondContact OD2-CE 3.02Å; K17-G33 CarbonylContact O-C 3.39Å; K17-G33 WeakPolarHBondContact O-CA 3.39Å; K17-V34 HydrophobicContact CB-CG2 3.92Å; K17-V34 PolarHBondContact N-O 2.83Å; K17-V34 PolarHBondContact O-N 3.39Å |
| 18 | L | 98.1 | Very high | 87.9 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141 | 172.5 | -69.4 | 169.9 | 0 | 0 | 0 | 110.2 | R20 K23 Y25 V31 F102 L129 F148 | L18-R20 PolarHBondContact O-N 3.29Å; L18-K23 HydrophobicContact CD1-CB 3.98Å; L18-K23 HydrophobicContact CD1-CD 4.02Å; L18-K23 HydrophobicContact CD1-CG 3.81Å; L18-Y25 HydrophobicContact CD1-CE2 4.37Å; L18-V31 HydrophobicContact CD2-CG1 3.61Å; L18-F102 HydrophobicContact CD2-CE2 4.46Å; L18-F102 HydrophobicContact CD2-CZ 4.2Å; L18-L129 HydrophobicContact CD2-CD1 3.53Å; L18-L129 HydrophobicContact CG-CD1 4.44Å; L18-F148 HydrophobicContact CD1-CB 3.89Å |
| 19 | K | 96.5 | Very high | 90.5 | Very high | 178 Ų | 178 | 70.2 Ų | 70.2 | 77% | 0.774 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -64.5 | -29.6 | 175.5 | -175.4 | 177.5 | 179.7 | 179.1 | 0 | 112 | A32 | K19-A32 WeakPolarHBondContact CB-O 3.48Å; K19-A32 PolarHBondContact N-O 3Å |
| 20 | R | 96.3 | Very high | 92.8 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 30% | 0.302 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -94.4 | 119 | -177.6 | -169.8 | -179.8 | -75.6 | -176.9 | -3.5 | 110.6 | L18 N22 K23 V24 Y25 E29 | L18-R20 PolarHBondContact O-N 3.29Å; R20-N22 VanDerWaalsContact CD-OD1 3.26Å; R20-N22 WeakPolarHBondContact CD-OD1 3.39Å; R20-N22 WeakPolarHBondContact CG-OD1 3.34Å; R20-N22 PolarHBondContact O-N 2.88Å; R20-K23 PolarHBondContact O-N 2.99Å; R20-V24 WeakPolarHBondContact CD-O 3.34Å; R20-V24 PolarHBondContact NH1-O 3.2Å; R20-Y25 HydrophobicContact CB-CE1 4.34Å; R20-Y25 WeakPolarHBondContact CB-OH 3.22Å; R20-E29 IonicContact CZ-OE1 3.48Å; R20-E29 IonicContact CZ-OE2 3.62Å; R20-E29 IonicContact NH1-OE1 3.23Å; R20-E29 PolarHBondContact NH1-OE1 3.47Å; R20-E29 IonicContact NH1-OE2 2.73Å; R20-E29 PolarHBondContact NH1-OE2 3.38Å; R20-E29 IonicContact NH2-OE1 2.76Å; R20-E29 PolarHBondContact NH2-OE1 2.85Å; R20-E29 IonicContact NH2-OE2 3.57Å |
| 21 | A | 93.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 58.5 Ų | 58.5 | 84% | 0.835 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K23 | A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.83Å |
| 22 | N | 93.2 | Very high | 95.7 | Very high | 106 Ų | 106 | 55.9 Ų | 55.9 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.2 | 179 | 71.6 | -4.5 | 0 | 0 | 0 | 113.3 | R20 V24 | R20-N22 VanDerWaalsContact CD-OD1 3.26Å; R20-N22 WeakPolarHBondContact CD-OD1 3.39Å; R20-N22 WeakPolarHBondContact CG-OD1 3.34Å; R20-N22 PolarHBondContact O-N 2.88Å; N22-V24 HydrophobicContact CB-CG2 4.37Å; N22-V24 WeakPolarHBondContact O-CG2 3.16Å; N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.07Å; N22-V24 PolarHBondContact OD1-N 2.84Å; N22-V24 VanDerWaalsContact OD1-N 3.11Å |
| 23 | K | 96.2 | Very high | 96.1 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | trans | 55.3 | 19.5 | -178.1 | -47.7 | -179 | 179.6 | -178.5 | 0 | 115 | L18 R20 A21 Y25 F148 I149 | L18-K23 HydrophobicContact CD1-CB 3.98Å; L18-K23 HydrophobicContact CD1-CD 4.02Å; L18-K23 HydrophobicContact CD1-CG 3.81Å; R20-K23 PolarHBondContact O-N 2.99Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.83Å; K23-Y25 WeakPolarHBondContact O-CD2 3.47Å; K23-F148 HydrophobicContact CB-CB 4.37Å; K23-I149 PolarHBondContact O-N 2.84Å | ||
| 24 | V | 95.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.7 | 178 | -179.6 | 0 | 0 | 0 | 0 | 109 | R20 N22 I149 H151 | R20-V24 WeakPolarHBondContact CD-O 3.34Å; R20-V24 PolarHBondContact NH1-O 3.2Å; N22-V24 HydrophobicContact CB-CG2 4.37Å; N22-V24 WeakPolarHBondContact O-CG2 3.16Å; N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.07Å; N22-V24 PolarHBondContact OD1-N 2.84Å; N22-V24 VanDerWaalsContact OD1-N 3.11Å; V24-I149 CarbonylContact C-O 3.55Å; V24-I149 WeakPolarHBondContact CA-O 3.36Å; V24-I149 HydrophobicContact CG2-CB 4.12Å; V24-I149 HydrophobicContact CG2-CG2 4.32Å; V24-H151 HydrophobicContact CG1-CB 4.29Å; V24-H151 WeakPolarHBondContact CG1-ND1 3.36Å |
| 25 | Y | 96.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 162.4 | -179.4 | -63 | -93.9 | 0 | 0 | 0 | 111.5 | L18 R20 K23 E29 T30 V31 F148 I149 V150 H151 | L18-Y25 HydrophobicContact CD1-CE2 4.37Å; R20-Y25 HydrophobicContact CB-CE1 4.34Å; R20-Y25 WeakPolarHBondContact CB-OH 3.22Å; K23-Y25 WeakPolarHBondContact O-CD2 3.47Å; Y25-E29 VanDerWaalsContact CA-OE2 3.22Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.38Å; Y25-T30 WeakPolarHBondContact CE1-O 3.47Å; Y25-V31 HydrophobicContact CD1-CG2 4Å; Y25-V31 HydrophobicContact CD2-CG2 4.39Å; Y25-V31 HydrophobicContact CE1-CB 4.42Å; Y25-V31 HydrophobicContact CE1-CG2 4.15Å; Y25-V31 HydrophobicContact CE2-CG1 4.45Å; Y25-V31 HydrophobicContact CG-CG2 4.12Å; Y25-F148 HydrophobicContact CD2-CB 4.12Å; Y25-F148 AromaticContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CG 4.25Å; Y25-F148 HydrophobicContact CE2-CB 4.06Å; Y25-F148 HydrophobicContact CE2-CD2 4.31Å; Y25-F148 HydrophobicContact CE2-CG 4.43Å; Y25-F148 HydrophobicContact CG-CD2 4.42Å; Y25-I149 PolarHBondContact N-O 3.16Å; Y25-V150 CarbonylContact O-C 3.59Å; Y25-V150 VanDerWaalsContact O-CA 3.31Å; Y25-V150 WeakPolarHBondContact O-CA 3.42Å; Y25-H151 PolarHBondContact O-N 2.92Å |
| 26 | H | 95.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 154.8 | 172.6 | -53.8 | 81.4 | 0 | 0 | 0 | 109.8 | G28 E29 | H26-G28 PolarHBondContact O-N 2.68Å; H26-E29 HydrophobicContact CB-CG 4.45Å; H26-E29 PolarHBondContact N-OE2 3.31Å; H26-E29 IonicContact ND1-OE2 3.28Å; H26-E29 VanDerWaalsContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CG 3.37Å; H26-E29 PolarHBondContact O-N 3.23Å; H26-E29 VanDerWaalsContact O-N 3.09Å |
| 27 | E | 94 | Very high | 96.3 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134.9 | 174.7 | -177.2 | 169 | -149.1 | 0 | 0 | 111.4 | S108 L114 Q153 | E27-S108 WeakPolarHBondContact OE1-CB 3.39Å; E27-S108 PolarHBondContact OE1-N 2.76Å; E27-S108 PolarHBondContact OE1-OG 3.39Å; E27-L114 HydrophobicContact CB-CD1 4.12Å; E27-L114 HydrophobicContact CG-CD1 4.04Å; E27-L114 HydrophobicContact CG-CG 4.43Å; E27-Q153 PolarHBondContact O-NE2 3.06Å |
| 28 | G | 93.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -13.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H26 L106 | H26-G28 PolarHBondContact O-N 2.68Å; G28-L106 PolarHBondContact N-O 2.73Å |
| 29 | E | 96.2 | Very high | 96 | Very high | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | trans | -82.8 | 168.1 | 177.1 | -62.6 | -169.1 | 114 | 0 | 0 | 113.3 | R20 Y25 H26 L106 | R20-E29 IonicContact CZ-OE1 3.48Å; R20-E29 IonicContact CZ-OE2 3.62Å; R20-E29 IonicContact NH1-OE1 3.23Å; R20-E29 PolarHBondContact NH1-OE1 3.47Å; R20-E29 IonicContact NH1-OE2 2.73Å; R20-E29 PolarHBondContact NH1-OE2 3.38Å; R20-E29 IonicContact NH2-OE1 2.76Å; R20-E29 PolarHBondContact NH2-OE1 2.85Å; R20-E29 IonicContact NH2-OE2 3.57Å; Y25-E29 VanDerWaalsContact CA-OE2 3.22Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.38Å; H26-E29 HydrophobicContact CB-CG 4.45Å; H26-E29 PolarHBondContact N-OE2 3.31Å; H26-E29 IonicContact ND1-OE2 3.28Å; H26-E29 VanDerWaalsContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CG 3.37Å; H26-E29 PolarHBondContact O-N 3.23Å; H26-E29 VanDerWaalsContact O-N 3.09Å; E29-L106 VanDerWaalsContact O-CB 3.25Å; E29-L106 WeakPolarHBondContact O-CB 3.25Å; E29-L106 PolarHBondContact O-N 3.37Å | ||
| 30 | T | 97.5 | Very high | 95.7 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.1 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | Y25 A32 E103 F104 | Y25-T30 WeakPolarHBondContact CE1-O 3.47Å; T30-A32 HydrophobicContact CG2-CB 4.31Å; T30-A32 PolarHBondContact O-N 2.93Å; T30-E103 HydrophobicContact CG2-CB 3.83Å; T30-E103 HydrophobicContact CG2-CG 4.28Å; T30-F104 CarbonylContact C-O 3.59Å; T30-F104 WeakPolarHBondContact CA-O 3.29Å |
| 31 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 101.6 | 168.7 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | L18 Y25 M52 F104 L106 L129 F148 | L18-V31 HydrophobicContact CD2-CG1 3.61Å; Y25-V31 HydrophobicContact CD1-CG2 4Å; Y25-V31 HydrophobicContact CD2-CG2 4.39Å; Y25-V31 HydrophobicContact CE1-CB 4.42Å; Y25-V31 HydrophobicContact CE1-CG2 4.15Å; Y25-V31 HydrophobicContact CE2-CG1 4.45Å; Y25-V31 HydrophobicContact CG-CG2 4.12Å; V31-M52 HydrophobicContact CB-SD 4.36Å; V31-M52 HydrophobicContact CG2-SD 4.16Å; V31-F104 HydrophobicContact CB-CB 4.39Å; V31-F104 PolarHBondContact N-O 2.63Å; V31-F104 PolarHBondContact O-N 2.88Å; V31-L106 HydrophobicContact CG2-CB 4.18Å; V31-L106 HydrophobicContact CG2-CD2 4.4Å; V31-L129 HydrophobicContact CG1-CD1 3.99Å; V31-L129 HydrophobicContact CG1-CD2 4.48Å; V31-L129 HydrophobicContact CG1-CG 4.49Å; V31-F148 HydrophobicContact CG2-CD2 4.35Å; V31-F148 HydrophobicContact CG2-CE2 3.88Å; V31-F148 HydrophobicContact CG2-CZ 4.05Å |
| 32 | A | 98.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K19 T30 F102 E103 | K19-A32 WeakPolarHBondContact CB-O 3.48Å; K19-A32 PolarHBondContact N-O 3Å; T30-A32 HydrophobicContact CG2-CB 4.31Å; T30-A32 PolarHBondContact O-N 2.93Å; A32-F102 WeakPolarHBondContact CA-O 3.26Å; A32-E103 HydrophobicContact CB-CG 3.89Å |
| 33 | G | 98.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -161.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K17 P101 F102 | K17-G33 CarbonylContact O-C 3.39Å; K17-G33 WeakPolarHBondContact O-CA 3.39Å; G33-P101 WeakPolarHBondContact O-CA 3.19Å; G33-F102 VanDerWaalsContact C-CD1 3.48Å; G33-F102 PolarHBondContact N-O 2.8Å; G33-F102 VanDerWaalsContact N-O 3.08Å; G33-F102 WeakPolarHBondContact O-CD1 3.39Å; G33-F102 PolarHBondContact O-N 2.86Å |
| 34 | V | 98.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.8 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | K17 E99 I100 P101 F102 | K17-V34 HydrophobicContact CB-CG2 3.92Å; K17-V34 PolarHBondContact N-O 2.83Å; K17-V34 PolarHBondContact O-N 3.39Å; V34-E99 HydrophobicContact CB-CB 4.47Å; V34-I100 CarbonylContact C-O 3.59Å; V34-I100 WeakPolarHBondContact CA-O 3.09Å; V34-P101 HydrophobicContact CG1-CB 4.49Å; V34-F102 VanDerWaalsContact N-CE1 3.34Å |
| 35 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.7 | 161.3 | 176 | 0 | 0 | 0 | 0 | 107.2 | L14 D15 L50 E99 I100 F102 | L14-V35 HydrophobicContact CD1-CG1 3.57Å; D15-V35 CarbonylContact O-C 3.51Å; D15-V35 WeakPolarHBondContact O-CA 3.43Å; V35-L50 HydrophobicContact CG2-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD2 4.24Å; V35-E99 WeakPolarHBondContact O-CA 3.19Å; V35-I100 HydrophobicContact CB-CB 4.44Å; V35-I100 PolarHBondContact N-O 3.31Å; V35-I100 PolarHBondContact O-N 2.81Å; V35-F102 HydrophobicContact CG2-CD1 4.01Å; V35-F102 HydrophobicContact CG2-CE1 4.34Å |
| 36 | T | 97.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.1 | 178.4 | -53.5 | 0 | 0 | 0 | 0 | 110 | D15 K97 T98 E99 | D15-T36 PolarHBondContact N-O 2.75Å; D15-T36 PolarHBondContact O-N 2.91Å; T36-K97 HydrophobicContact CG2-CD 4.33Å; T36-K97 HydrophobicContact CG2-CG 3.97Å; T36-T98 WeakPolarHBondContact CA-O 3.12Å; T36-E99 HydrophobicContact CG2-CG 4.5Å |
| 37 | L | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.3 | 172.5 | -81.5 | 159.5 | 0 | 0 | 0 | 109.4 | V12 T13 L14 I48 I93 K97 T98 I100 L133 | V12-L37 HydrophobicContact CG1-CD2 4.39Å; T13-L37 WeakPolarHBondContact O-CA 3.39Å; L14-L37 HydrophobicContact CB-CD2 4.19Å; L14-L37 HydrophobicContact CD1-CD2 3.7Å; L14-L37 HydrophobicContact CD1-CG 3.93Å; L37-I48 HydrophobicContact CD1-CD1 3.58Å; L37-I93 HydrophobicContact CD1-CG1 4.33Å; L37-K97 CarbonylContact O-C 3.56Å; L37-K97 WeakPolarHBondContact O-CA 3.28Å; L37-T98 PolarHBondContact N-O 3.04Å; L37-T98 PolarHBondContact O-N 3.11Å; L37-I100 HydrophobicContact CD1-CD1 4.46Å; L37-L133 HydrophobicContact CD2-CD2 3.99Å |
| 38 | C | 94.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.5 | 170.4 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | V12 T13 G96 | V12-C38 WeakPolarHBondContact CA-O 3.36Å; T13-C38 PolarHBondContact N-O 3.44Å; T13-C38 PolarHBondContact O-N 2.81Å; T13-C38 VanDerWaalsContact OG1-CB 3.3Å; T13-C38 WeakPolarHBondContact OG1-CB 3.46Å; C38-G96 WeakPolarHBondContact CA-O 3.46Å |
| 39 | C | 92.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.3 | 179.2 | -50.7 | 0 | 0 | 0 | 0 | 108.8 | E41 L43 G96 | C39-E41 VanDerWaalsContact CB-O 3.25Å; C39-E41 WeakPolarHBondContact CB-O 3.43Å; C39-L43 HydrophobicContact CB-CB 4.44Å; C39-G96 PolarHBondContact N-O 3.34Å; C39-G96 PolarHBondContact O-N 3.36Å |
| 40 | K | 91.3 | Very high | 96 | Very high | 172 Ų | 172 | 41 Ų | 41 | 75% | 0.748 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -72.6 | -39.2 | 173 | -68.9 | -176.9 | -179.4 | 177.2 | 0 | 111.5 | ||
| 41 | E | 91.9 | Very high | 96 | Very high | 129 Ų | 129 | 38.5 Ų | 38.5 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -120.9 | 161.8 | -179.9 | -67.5 | -177.8 | -173.8 | 0 | 0 | 110.5 | C39 L43 | C39-E41 VanDerWaalsContact CB-O 3.25Å; C39-E41 WeakPolarHBondContact CB-O 3.43Å; E41-L43 PolarHBondContact O-N 2.87Å |
| 42 | P | 92.9 | Very high | 96 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 46% | 0.461 | 21% | 0.21 | S | C | . | . | trans | -55.2 | 124.9 | 174.4 | -29.4 | 38.3 | 0 | 0 | 0 | 113.3 | K92 I93 | P42-K92 HydrophobicContact CB-CD 4.1Å; P42-K92 HydrophobicContact CB-CG 4.26Å; P42-I93 CarbonylContact C-O 3.57Å; P42-I93 WeakPolarHBondContact CA-O 3.35Å | ||
| 43 | L | 93.1 | Very high | 96 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.1 | -175 | 177.6 | 66.3 | 0 | 0 | 0 | 111.7 | V12 C39 E41 K92 I93 L133 | V12-L43 HydrophobicContact CB-CD2 4.48Å; V12-L43 HydrophobicContact CG1-CD2 3.65Å; V12-L43 HydrophobicContact CG2-CD1 4.25Å; V12-L43 HydrophobicContact CG2-CD2 4.03Å; C39-L43 HydrophobicContact CB-CB 4.44Å; E41-L43 PolarHBondContact O-N 2.87Å; L43-K92 CarbonylContact O-C 3.5Å; L43-K92 WeakPolarHBondContact O-CA 3.21Å; L43-I93 HydrophobicContact CB-CB 4.43Å; L43-I93 PolarHBondContact N-O 3.4Å; L43-I93 PolarHBondContact O-N 3.11Å; L43-L133 HydrophobicContact CD2-CD2 3.84Å |
| 44 | Q | 94.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 60% | 0.603 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139.7 | 170.1 | -167 | 170.8 | 8.5 | 0 | 0 | 110.8 | G91 P136 | Q44-G91 WeakPolarHBondContact CA-O 3.44Å; Q44-P136 HydrophobicContact CB-CG 4.09Å; Q44-P136 HydrophobicContact CG-CG 3.88Å; Q44-P136 WeakPolarHBondContact O-CD 3.24Å |
| 45 | H | 95.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.8 | -179.5 | 68.3 | 104.5 | 0 | 0 | 0 | 112 | G47 K89 A90 G91 L133 K134 | H45-G47 VanDerWaalsContact C-N 3.33Å; H45-G47 PolarHBondContact ND1-N 2.92Å; H45-K89 PolarHBondContact CE1-O 2.8Å; H45-A90 CarbonylContact O-C 3.53Å; H45-A90 WeakPolarHBondContact O-CA 3.41Å; H45-G91 VanDerWaalsContact CD2-C 3.43Å; H45-G91 PolarHBondContact CD2-O 3.41Å; H45-G91 PolarHBondContact N-O 2.82Å; H45-G91 PolarHBondContact O-N 2.91Å; H45-L133 HydrophobicContact CB-CD1 3.53Å; H45-K134 CarbonylContact C-O 3.6Å; H45-K134 WeakPolarHBondContact CA-O 3.46Å; H45-K134 WeakPolarHBondContact CB-O 3.04Å |
| 46 | N | 96.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -98.5 | 22.3 | 179.5 | -67.9 | -16.3 | 0 | 0 | 0 | 112.4 | K134 | N46-K134 HydrophobicContact CB-CB 3.95Å; N46-K134 PolarHBondContact N-O 2.89Å |
| 47 | G | 96.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | trans | 117.9 | 158.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | H45 A88 K134 | H45-G47 VanDerWaalsContact C-N 3.33Å; H45-G47 PolarHBondContact ND1-N 2.92Å; G47-A88 CarbonylContact C-O 3.55Å; G47-A88 VanDerWaalsContact CA-O 3.32Å; G47-A88 WeakPolarHBondContact CA-O 3.31Å; G47-K134 PolarHBondContact O-N 2.57Å | ||
| 48 | I | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.3 | 177.1 | -45.3 | -177.7 | 0 | 0 | 0 | 106.9 | L37 V87 A88 I93 I100 D132 L133 | L37-I48 HydrophobicContact CD1-CD1 3.58Å; I48-V87 HydrophobicContact CB-CG2 3.52Å; I48-V87 HydrophobicContact CG2-CG2 3.28Å; I48-V87 WeakPolarHBondContact O-CG2 3.34Å; I48-V87 PolarHBondContact O-N 2.84Å; I48-A88 HydrophobicContact CB-CB 4.19Å; I48-A88 HydrophobicContact CD1-CB 3.9Å; I48-A88 HydrophobicContact CG1-CB 3.97Å; I48-A88 PolarHBondContact N-O 2.67Å; I48-A88 PolarHBondContact O-N 2.6Å; I48-I93 HydrophobicContact CD1-CD1 4.36Å; I48-I100 HydrophobicContact CD1-CD1 3.95Å; I48-D132 WeakPolarHBondContact CA-O 3.47Å; I48-L133 HydrophobicContact CD1-CD1 3.82Å; I48-L133 HydrophobicContact CG1-CD1 3.55Å |
| 49 | A | 98.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I85 C131 D132 | A49-I85 WeakPolarHBondContact CA-O 3.41Å; A49-C131 CarbonylContact O-C 3.45Å; A49-C131 WeakPolarHBondContact O-CA 3.49Å; A49-D132 PolarHBondContact N-O 3.22Å; A49-D132 PolarHBondContact O-N 3.22Å |
| 50 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.2 | 170.3 | -175.4 | 71 | 0 | 0 | 0 | 107.4 | I16 V35 S84 I85 V87 F102 F104 L129 R130 C131 | I16-L50 HydrophobicContact CD1-CD1 3.96Å; I16-L50 HydrophobicContact CG1-CD1 4.45Å; V35-L50 HydrophobicContact CG2-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD2 4.24Å; L50-S84 CarbonylContact O-C 3.55Å; L50-S84 WeakPolarHBondContact O-CA 3.45Å; L50-I85 HydrophobicContact CB-CG1 4.14Å; L50-I85 PolarHBondContact N-O 2.92Å; L50-I85 PolarHBondContact O-N 2.82Å; L50-V87 HydrophobicContact CB-CG1 3.59Å; L50-V87 HydrophobicContact CD2-CG1 4.28Å; L50-F102 HydrophobicContact CD2-CB 3.61Å; L50-F102 HydrophobicContact CD2-CD1 3.53Å; L50-F102 HydrophobicContact CD2-CD2 3.57Å; L50-F102 HydrophobicContact CD2-CE1 4.02Å; L50-F102 HydrophobicContact CD2-CE2 4.08Å; L50-F102 HydrophobicContact CD2-CG 3.27Å; L50-F102 HydrophobicContact CD2-CZ 4.28Å; L50-F104 HydrophobicContact CB-CE2 4.47Å; L50-F104 HydrophobicContact CD2-CD2 4.47Å; L50-F104 HydrophobicContact CD2-CE2 3.64Å; L50-F104 HydrophobicContact CD2-CZ 4.46Å; L50-F104 HydrophobicContact CG-CE2 3.79Å; L50-F104 HydrophobicContact CG-CZ 4.31Å; L50-F104 WeakPolarHBondContact O-CZ 3.38Å; L50-L129 HydrophobicContact CD1-CB 4.47Å; L50-R130 CarbonylContact C-O 3.54Å; L50-R130 WeakPolarHBondContact CA-O 3.45Å; L50-C131 HydrophobicContact CD1-CB 3.68Å |
| 51 | S | 98.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 151.2 | 172.3 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | D53 S83 L129 R130 | S51-D53 WeakPolarHBondContact CB-OD2 3.39Å; S51-D53 PolarHBondContact OG-OD2 3.39Å; S51-S83 CarbonylContact C-O 3.48Å; S51-S83 WeakPolarHBondContact CA-O 3.32Å; S51-L129 CarbonylContact O-C 3.47Å; S51-L129 VanDerWaalsContact O-CA 3.22Å; S51-L129 WeakPolarHBondContact O-CA 3.31Å; S51-R130 PolarHBondContact N-O 3.46Å; S51-R130 PolarHBondContact O-N 3.09Å |
| 52 | M | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.8 | 168.6 | -177.3 | -177.2 | 65.6 | 0 | 0 | 107.8 | V31 I81 S82 S83 F104 L106 T128 L129 F148 | V31-M52 HydrophobicContact CB-SD 4.36Å; V31-M52 HydrophobicContact CG2-SD 4.16Å; M52-I81 HydrophobicContact CE-CD1 3.51Å; M52-I81 HydrophobicContact CE-CG1 4.11Å; M52-S82 CarbonylContact O-C 3.55Å; M52-S82 VanDerWaalsContact O-CA 3.32Å; M52-S82 WeakPolarHBondContact O-CA 3.38Å; M52-S83 PolarHBondContact N-O 3.09Å; M52-S83 PolarHBondContact O-N 2.95Å; M52-F104 HydrophobicContact CB-CD1 4.14Å; M52-F104 HydrophobicContact CB-CD2 3.99Å; M52-F104 HydrophobicContact CB-CE1 4.27Å; M52-F104 HydrophobicContact CB-CE2 4.11Å; M52-F104 HydrophobicContact CB-CG 3.98Å; M52-F104 HydrophobicContact CB-CZ 4.24Å; M52-F104 HydrophobicContact CE-CB 3.86Å; M52-F104 HydrophobicContact CE-CD1 4.4Å; M52-F104 HydrophobicContact CE-CG 4.3Å; M52-F104 HydrophobicContact SD-CB 3.7Å; M52-F104 HydrophobicContact SD-CG 4.17Å; M52-L106 HydrophobicContact CE-CD1 4.45Å; M52-L106 HydrophobicContact SD-CD1 4.3Å; M52-T128 WeakPolarHBondContact CA-O 3.36Å; M52-L129 HydrophobicContact CB-CD2 3.69Å; M52-L129 HydrophobicContact CG-CD2 3.93Å; M52-F148 HydrophobicContact CG-CE1 4Å; M52-F148 HydrophobicContact CG-CZ 3.95Å; M52-F148 HydrophobicContact SD-CE1 4.34Å; M52-F148 HydrophobicContact SD-CZ 3.85Å |
| 53 | D | 97.7 | Very high | 89.5 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.6 | -177.3 | -64.3 | -70.6 | 0 | 0 | 0 | 109.9 | S51 I81 S82 Y127 T128 | S51-D53 WeakPolarHBondContact CB-OD2 3.39Å; S51-D53 PolarHBondContact OG-OD2 3.39Å; D53-I81 WeakPolarHBondContact CA-O 3.22Å; D53-S82 WeakPolarHBondContact OD1-CB 3.33Å; D53-S82 PolarHBondContact OD1-OG 2.83Å; D53-Y127 CarbonylContact O-C 3.55Å; D53-Y127 WeakPolarHBondContact O-CA 3.42Å; D53-T128 PolarHBondContact N-O 3.12Å; D53-T128 PolarHBondContact O-N 3.01Å |
| 54 | G | 97.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L80 I81 Q126 | G54-L80 WeakPolarHBondContact O-CA 3.3Å; G54-L80 WeakPolarHBondContact O-CB 3.44Å; G54-L80 PolarHBondContact O-N 2.78Å; G54-I81 PolarHBondContact N-O 3.07Å; G54-I81 PolarHBondContact O-N 2.95Å; G54-Q126 CarbonylContact C-O 3.53Å; G54-Q126 VanDerWaalsContact CA-O 3.3Å; G54-Q126 WeakPolarHBondContact CA-O 3.31Å |
| 55 | I | 96.3 | Very high | 85.6 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 141 | -169.2 | -164.3 | 167.9 | 0 | 0 | 0 | 110.8 | P77 Q126 | I55-P77 HydrophobicContact CD1-CB 3.47Å; I55-P77 VanDerWaalsContact CD1-CB 3.47Å; I55-P77 HydrophobicContact CD1-CG 4.41Å; I55-P77 HydrophobicContact CG1-CB 3.79Å; I55-Q126 PolarHBondContact N-O 3.25Å; I55-Q126 PolarHBondContact O-N 3.04Å |
| 56 | V | 95.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.3 | 163.2 | -173 | 0 | 0 | 0 | 0 | 107.7 | L58 P77 I78 L80 Y115 V123 N124 I125 F277 | V56-L58 HydrophobicContact CG1-CD2 3.71Å; V56-L58 HydrophobicContact CG1-CG 4.13Å; V56-P77 CarbonylContact O-C 3.55Å; V56-P77 VanDerWaalsContact O-CA 3.3Å; V56-P77 WeakPolarHBondContact O-CA 3.36Å; V56-I78 HydrophobicContact CB-CB 4.08Å; V56-I78 HydrophobicContact CG2-CB 4.49Å; V56-I78 PolarHBondContact N-O 2.56Å; V56-I78 PolarHBondContact O-N 2.89Å; V56-L80 HydrophobicContact CG2-CD1 3.78Å; V56-L80 HydrophobicContact CG2-CD2 3.87Å; V56-L80 HydrophobicContact CG2-CG 3.98Å; V56-Y115 HydrophobicContact CG2-CD2 4Å; V56-Y115 HydrophobicContact CG2-CE2 4.37Å; V56-V123 HydrophobicContact CG1-CG1 4.14Å; V56-N124 CarbonylContact C-O 3.6Å; V56-N124 WeakPolarHBondContact CA-O 3.32Å; V56-I125 HydrophobicContact CG1-CG1 4.2Å; V56-I125 HydrophobicContact CG2-CG1 4.14Å; V56-I125 HydrophobicContact CG2-CG2 4.39Å; V56-F277 HydrophobicContact CG1-CD1 4.29Å; V56-F277 HydrophobicContact CG1-CE1 3.98Å; V56-F277 HydrophobicContact CG1-CE2 4.39Å; V56-F277 HydrophobicContact CG1-CZ 4.03Å; V56-F277 HydrophobicContact CG2-CE1 4.29Å; V56-F277 HydrophobicContact CG2-CZ 4.11Å |
| 57 | N | 93.1 | Very high | 81.7 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.3 | 166.3 | -63.3 | -57.9 | 0 | 0 | 0 | 108.3 | N124 | N57-N124 HydrophobicContact CB-CB 4.29Å; N57-N124 PolarHBondContact N-O 2.86Å; N57-N124 PolarHBondContact O-N 2.85Å |
| 58 | L | 90 | Very high | 79.7 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.1 | 173.9 | -60.8 | 179.4 | 0 | 0 | 0 | 106.8 | V56 V75 I78 F122 V123 C228 N276 F277 | V56-L58 HydrophobicContact CG1-CD2 3.71Å; V56-L58 HydrophobicContact CG1-CG 4.13Å; L58-V75 HydrophobicContact CB-CG1 3.34Å; L58-V75 HydrophobicContact CD1-CG1 3.8Å; L58-V75 HydrophobicContact CG-CG1 4.16Å; L58-I78 HydrophobicContact CD1-CD1 4.08Å; L58-F122 WeakPolarHBondContact CA-O 3.25Å; L58-V123 HydrophobicContact CD2-CB 4.3Å; L58-V123 HydrophobicContact CD2-CG1 4.08Å; L58-V123 HydrophobicContact CD2-CG2 3.89Å; L58-C228 HydrophobicContact CB-CB 4.43Å; L58-C228 HydrophobicContact CD2-CB 4.14Å; L58-N276 HydrophobicContact CD1-CB 4.44Å; L58-F277 HydrophobicContact CD1-CB 4.31Å; L58-F277 HydrophobicContact CD1-CD1 4.39Å; L58-F277 HydrophobicContact CD2-CB 3.59Å; L58-F277 HydrophobicContact CD2-CD1 4.08Å; L58-F277 HydrophobicContact CD2-CD2 4.49Å; L58-F277 HydrophobicContact CD2-CG 3.81Å |
| 59 | Q | 81.1 | Confident | 77.7 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | trans | -139.2 | 155.4 | -179.5 | 65.3 | -172 | 8.2 | 0 | 0 | 109.5 | V121 F122 | Q59-V121 WeakPolarHBondContact CG-O 3.46Å; Q59-V121 PolarHBondContact NE2-O 3.47Å; Q59-F122 PolarHBondContact N-O 2.91Å; Q59-F122 WeakPolarHBondContact O-CA 3.42Å; Q59-F122 WeakPolarHBondContact O-CB 3.35Å | ||
| 60 | L | 74.4 | Confident | 75.6 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | trans | -101.9 | 143.2 | 173.8 | -63.5 | 168.2 | 0 | 0 | 0 | 108 | F71 Y72 F122 A235 | L60-F71 HydrophobicContact CD1-CB 3.93Å; L60-Y72 HydrophobicContact CB-CD1 4.21Å; L60-Y72 HydrophobicContact CB-CE1 3.57Å; L60-Y72 HydrophobicContact CB-CE2 4.08Å; L60-Y72 VanDerWaalsContact CB-CZ 3.49Å; L60-Y72 HydrophobicContact CD1-CD1 4.48Å; L60-Y72 HydrophobicContact CD1-CD2 3.97Å; L60-Y72 HydrophobicContact CD1-CE1 4.48Å; L60-Y72 HydrophobicContact CD1-CE2 3.95Å; L60-Y72 HydrophobicContact CD1-CG 4.24Å; L60-F122 HydrophobicContact CD2-CE2 4.46Å; L60-A235 HydrophobicContact CD2-CB 3.33Å | ||
| 61 | S | 66.2 | Low | 73.7 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | trans | -75 | 152.7 | 178.1 | 80.6 | 0 | 0 | 0 | 0 | 112.2 | K63 S64 Y72 | S61-K63 PolarHBondContact O-N 2.92Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 2.76Å; S61-S64 PolarHBondContact O-N 3.11Å; S61-Y72 PolarHBondContact O-OH 3.03Å | ||
| 62 | S | 60.1 | Low | 71.9 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.9 | -17.8 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | S64 V65 | S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 3.43Å; S62-V65 WeakPolarHBondContact O-CB 3.44Å; S62-V65 WeakPolarHBondContact O-CG2 3.25Å; S62-V65 PolarHBondContact O-N 3.07Å |
| 63 | K | 61.4 | Low | 70.1 | Confident | 193 Ų | 193 | 70.8 Ų | 70.8 | 84% | 0.839 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -74.8 | -16.7 | 175.9 | -62.3 | -178.4 | -179.6 | 176.6 | 0 | 113 | S61 | S61-K63 PolarHBondContact O-N 2.92Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 2.76Å |
| 64 | S | 55.5 | Low | 68.8 | Low | 40 Ų | 40 | 70.6 Ų | 70.6 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -99.4 | 11.6 | 178.1 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | S61 S62 G66 | S61-S64 PolarHBondContact O-N 3.11Å; S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 3.43Å; S64-G66 PolarHBondContact O-N 2.82Å |
| 65 | V | 51.2 | Low | 67.8 | Low | 90 Ų | 90 | 71.8 Ų | 71.8 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 119.1 | -179 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | S62 | S62-V65 WeakPolarHBondContact O-CB 3.44Å; S62-V65 WeakPolarHBondContact O-CG2 3.25Å; S62-V65 PolarHBondContact O-N 3.07Å |
| 66 | G | 55.1 | Low | 67.2 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.5 | -24.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S64 | S64-G66 PolarHBondContact O-N 2.82Š|
| 67 | V | 53.9 | Low | 66.9 | Low | 121 Ų | 121 | 80.4 Ų | 80.4 | 73% | 0.733 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -22.2 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 68 | F | 55.2 | Low | 66.9 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 31% | 0.311 | 45% | 0.447 | S | S | . | . | trans | -130.6 | 32.7 | -172.1 | -66.6 | -87.8 | 0 | 0 | 0 | 113.8 | A70 F71 Y72 | F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.96Å; F68-F71 HydrophobicContact CB-CD2 3.68Å; F68-F71 HydrophobicContact CB-CE2 4.3Å; F68-F71 HydrophobicContact CB-CG 4.36Å; F68-F71 AromaticContact CD1-CD2 3.53Å; F68-F71 HydrophobicContact CD1-CD2 3.53Å; F68-F71 AromaticContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CG 4.22Å; F68-F71 AromaticContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CE1-CE2 4.13Å; F68-F71 HydrophobicContact CE1-CZ 4.38Å; F68-F71 HydrophobicContact CG-CD2 4.09Å; F68-F71 HydrophobicContact CG-CE2 4.27Å; F68-F71 WeakPolarHBondContact O-CB 3.42Å; F68-F71 PolarHBondContact O-N 2.82Å; F68-F71 VanDerWaalsContact O-N 3.11Å; F68-Y72 WeakPolarHBondContact O-CD2 3.26Å | ||
| 69 | E | 55.8 | Low | 67.1 | Low | 143 Ų | 143 | 82.9 Ų | 82.9 | 67% | 0.668 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.8 | -174.5 | -154.2 | 170.3 | -164.3 | 0 | 0 | 113.4 | F71 | E69-F71 VanDerWaalsContact C-N 3.27Å; E69-F71 PolarHBondContact O-N 2.78Å |
| 70 | A | 53.6 | Low | 67.7 | Low | 78 Ų | 78 | 78.1 Ų | 78.1 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F68 | F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.96Å |
| 71 | F | 58.3 | Low | 68.7 | Low | 42 Ų | 42 | 77.6 Ų | 77.6 | 18% | 0.184 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.1 | -173.6 | -65.2 | -94.5 | 0 | 0 | 0 | 113.3 | L60 F68 E69 N73 S74 V75 E232 | L60-F71 HydrophobicContact CD1-CB 3.93Å; F68-F71 HydrophobicContact CB-CD2 3.68Å; F68-F71 HydrophobicContact CB-CE2 4.3Å; F68-F71 HydrophobicContact CB-CG 4.36Å; F68-F71 AromaticContact CD1-CD2 3.53Å; F68-F71 HydrophobicContact CD1-CD2 3.53Å; F68-F71 AromaticContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CG 4.22Å; F68-F71 AromaticContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CE1-CE2 4.13Å; F68-F71 HydrophobicContact CE1-CZ 4.38Å; F68-F71 HydrophobicContact CG-CD2 4.09Å; F68-F71 HydrophobicContact CG-CE2 4.27Å; F68-F71 WeakPolarHBondContact O-CB 3.42Å; F68-F71 PolarHBondContact O-N 2.82Å; F68-F71 VanDerWaalsContact O-N 3.11Å; E69-F71 VanDerWaalsContact C-N 3.27Å; E69-F71 PolarHBondContact O-N 2.78Å; F71-N73 PolarHBondContact O-N 2.83Å; F71-N73 VanDerWaalsContact O-N 3.11Å; F71-S74 PolarHBondContact O-N 2.79Å; F71-V75 PolarHBondContact O-N 3.13Å; F71-E232 HydrophobicContact CD1-CB 4.21Å; F71-E232 HydrophobicContact CE1-CB 3.55Å; F71-E232 WeakPolarHBondContact CE1-O 3.2Å; F71-E232 HydrophobicContact CZ-CB 4.37Å |
| 72 | Y | 59.5 | Low | 70.1 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 32% | 0.318 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.7 | -175.5 | -84.2 | -90.8 | 0 | 0 | 0 | 113.1 | L60 S61 F68 | L60-Y72 HydrophobicContact CB-CD1 4.21Å; L60-Y72 HydrophobicContact CB-CE1 3.57Å; L60-Y72 HydrophobicContact CB-CE2 4.08Å; L60-Y72 VanDerWaalsContact CB-CZ 3.49Å; L60-Y72 HydrophobicContact CD1-CD1 4.48Å; L60-Y72 HydrophobicContact CD1-CD2 3.97Å; L60-Y72 HydrophobicContact CD1-CE1 4.48Å; L60-Y72 HydrophobicContact CD1-CE2 3.95Å; L60-Y72 HydrophobicContact CD1-CG 4.24Å; S61-Y72 PolarHBondContact O-OH 3.03Å; F68-Y72 WeakPolarHBondContact O-CD2 3.26Å |
| 73 | N | 62.1 | Low | 71.8 | Confident | 151 Ų | 151 | 76.9 Ų | 76.9 | 81% | 0.807 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14 | -179.2 | -65.9 | -39.3 | 0 | 0 | 0 | 113.5 | F71 | F71-N73 PolarHBondContact O-N 2.83Å; F71-N73 VanDerWaalsContact O-N 3.11Å |
| 74 | S | 68.8 | Low | 73.5 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -24.7 | -176.4 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | F71 K76 E232 | F71-S74 PolarHBondContact O-N 2.79Å; S74-K76 PolarHBondContact O-N 2.85Å; S74-E232 PolarHBondContact OG-OE2 2.88Å |
| 75 | V | 76.5 | Confident | 75.4 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 17% | 0.17 | 42% | 0.421 | C | S | . | . | trans | -83.3 | 102.7 | -177.1 | -168 | 0 | 0 | 0 | 0 | 110.3 | L58 F71 | L58-V75 HydrophobicContact CB-CG1 3.34Å; L58-V75 HydrophobicContact CD1-CG1 3.8Å; L58-V75 HydrophobicContact CG-CG1 4.16Å; F71-V75 PolarHBondContact O-N 3.13Å | ||
| 76 | K | 83.8 | Confident | 77.6 | Confident | 163 Ų | 163 | 73.8 Ų | 73.8 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | trans | -88.3 | 143 | 178.6 | -64.2 | -175.2 | 179.9 | 177.6 | 0 | 111.2 | S74 | S74-K76 PolarHBondContact O-N 2.85Š| ||
| 77 | P | 90.1 | Very high | 79.5 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | trans | -55 | 141.1 | 169.3 | -26.4 | 35.3 | 0 | 0 | 0 | 112.1 | I55 V56 P79 | I55-P77 HydrophobicContact CD1-CB 3.47Å; I55-P77 VanDerWaalsContact CD1-CB 3.47Å; I55-P77 HydrophobicContact CD1-CG 4.41Å; I55-P77 HydrophobicContact CG1-CB 3.79Å; V56-P77 CarbonylContact O-C 3.55Å; V56-P77 VanDerWaalsContact O-CA 3.3Å; V56-P77 WeakPolarHBondContact O-CA 3.36Å; P77-P79 VanDerWaalsContact O-CD 3.27Å; P77-P79 WeakPolarHBondContact O-CD 3.19Å | ||
| 78 | I | 92.1 | Very high | 81.5 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 104.3 | -178.7 | -50 | 172 | 0 | 0 | 0 | 108.1 | V56 L58 L80 N276 F277 | V56-I78 HydrophobicContact CB-CB 4.08Å; V56-I78 HydrophobicContact CG2-CB 4.49Å; V56-I78 PolarHBondContact N-O 2.56Å; V56-I78 PolarHBondContact O-N 2.89Å; L58-I78 HydrophobicContact CD1-CD1 4.08Å; I78-L80 HydrophobicContact CG2-CD2 4.49Å; I78-L80 PolarHBondContact O-N 3.18Å; I78-N276 HydrophobicContact CD1-CB 4.46Å; I78-F277 HydrophobicContact CD1-CD1 4.18Å; I78-F277 HydrophobicContact CD1-CE1 4.15Å |
| 79 | P | 93.9 | Very high | 83.5 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125 | 178.4 | 27.7 | -33 | 0 | 0 | 0 | 110.2 | P77 K112 | P77-P79 VanDerWaalsContact O-CD 3.27Å; P77-P79 WeakPolarHBondContact O-CD 3.19Å; P79-K112 WeakPolarHBondContact O-CD 3.22Å; P79-K112 WeakPolarHBondContact O-CE 3.5Å; P79-K112 PolarHBondContact O-NZ 3.27Å |
| 80 | L | 94.9 | Very high | 85.5 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -46.1 | 179.1 | -56 | -179.8 | 0 | 0 | 0 | 111.4 | G54 V56 I78 K112 L114 Y115 I125 Y127 | G54-L80 WeakPolarHBondContact O-CA 3.3Å; G54-L80 WeakPolarHBondContact O-CB 3.44Å; G54-L80 PolarHBondContact O-N 2.78Å; V56-L80 HydrophobicContact CG2-CD1 3.78Å; V56-L80 HydrophobicContact CG2-CD2 3.87Å; V56-L80 HydrophobicContact CG2-CG 3.98Å; I78-L80 HydrophobicContact CG2-CD2 4.49Å; I78-L80 PolarHBondContact O-N 3.18Å; L80-K112 VanDerWaalsContact O-CD 3.31Å; L80-K112 WeakPolarHBondContact O-CD 3.34Å; L80-L114 HydrophobicContact CB-CD2 4.13Å; L80-Y115 HydrophobicContact CD1-CD2 3.82Å; L80-Y115 HydrophobicContact CD2-CD2 3.77Å; L80-Y115 HydrophobicContact CD2-CE2 3.73Å; L80-Y115 HydrophobicContact CG-CD2 4.46Å; L80-I125 HydrophobicContact CD1-CG2 4.03Å; L80-Y127 HydrophobicContact CD1-CE1 4.49Å; L80-Y127 VanDerWaalsContact CD1-OH 3.25Å; L80-Y127 WeakPolarHBondContact CD1-OH 3.19Å |
| 81 | I | 95.7 | Very high | 87.5 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.051 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.4 | 178.1 | -170.8 | 166.1 | 0 | 0 | 0 | 109.4 | M52 D53 G54 L106 I107 L114 Y127 | M52-I81 HydrophobicContact CE-CD1 3.51Å; M52-I81 HydrophobicContact CE-CG1 4.11Å; D53-I81 WeakPolarHBondContact CA-O 3.22Å; G54-I81 PolarHBondContact N-O 3.07Å; G54-I81 PolarHBondContact O-N 2.95Å; I81-L106 HydrophobicContact CD1-CD1 4.25Å; I81-I107 VanDerWaalsContact CD1-O 3.28Å; I81-I107 WeakPolarHBondContact CD1-O 3.33Å; I81-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CG2-CD2 4.32Å; I81-Y127 HydrophobicContact CG2-CD1 4.13Å; I81-Y127 HydrophobicContact CG2-CE1 4.02Å |
| 82 | S | 95.1 | Very high | 89.2 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 128.2 | 169.4 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | M52 D53 | M52-S82 CarbonylContact O-C 3.55Å; M52-S82 VanDerWaalsContact O-CA 3.32Å; M52-S82 WeakPolarHBondContact O-CA 3.38Å; D53-S82 WeakPolarHBondContact OD1-CB 3.33Å; D53-S82 PolarHBondContact OD1-OG 2.83Å |
| 83 | S | 95.2 | Very high | 90.8 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 147.5 | 177.2 | -166.1 | 0 | 0 | 0 | 0 | 109.1 | S51 M52 F104 | S51-S83 CarbonylContact C-O 3.48Å; S51-S83 WeakPolarHBondContact CA-O 3.32Å; M52-S83 PolarHBondContact N-O 3.09Å; M52-S83 PolarHBondContact O-N 2.95Å; S83-F104 WeakPolarHBondContact OG-CE1 3.49Å |
| 84 | S | 96.7 | Very high | 92.4 | Very high | 81 Ų | 81 | 64 Ų | 64 | 57% | 0.566 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.3 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | L50 | L50-S84 CarbonylContact O-C 3.55Å; L50-S84 WeakPolarHBondContact O-CA 3.45Å |
| 85 | I | 97.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.3 | 174.7 | 63.3 | 178 | 0 | 0 | 0 | 109.6 | A49 L50 V87 F102 F104 | A49-I85 WeakPolarHBondContact CA-O 3.41Å; L50-I85 HydrophobicContact CB-CG1 4.14Å; L50-I85 PolarHBondContact N-O 2.92Å; L50-I85 PolarHBondContact O-N 2.82Å; I85-V87 HydrophobicContact CD1-CG1 3.82Å; I85-V87 HydrophobicContact CG1-CG1 3.76Å; I85-V87 PolarHBondContact O-N 2.96Å; I85-F102 HydrophobicContact CD1-CB 4.01Å; I85-F104 HydrophobicContact CB-CZ 4.44Å; I85-F104 HydrophobicContact CD1-CE1 4.48Å; I85-F104 HydrophobicContact CD1-CE2 4.22Å; I85-F104 HydrophobicContact CD1-CZ 4Å; I85-F104 HydrophobicContact CG1-CE1 4.23Å; I85-F104 HydrophobicContact CG1-CE2 4.33Å; I85-F104 HydrophobicContact CG1-CZ 3.71Å; I85-F104 HydrophobicContact CG2-CE1 3.83Å; I85-F104 HydrophobicContact CG2-CZ 4.2Å |
| 86 | E | 97 | Very high | 94.5 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 109 | 164.8 | -176.6 | -179.8 | -131.2 | 0 | 0 | 107.8 | K89 | E86-K89 WeakPolarHBondContact OE2-CG 3.4Å |
| 87 | V | 95.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -22.8 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | I48 L50 I85 I100 | I48-V87 HydrophobicContact CB-CG2 3.52Å; I48-V87 HydrophobicContact CG2-CG2 3.28Å; I48-V87 WeakPolarHBondContact O-CG2 3.34Å; I48-V87 PolarHBondContact O-N 2.84Å; L50-V87 HydrophobicContact CB-CG1 3.59Å; L50-V87 HydrophobicContact CD2-CG1 4.28Å; I85-V87 HydrophobicContact CD1-CG1 3.82Å; I85-V87 HydrophobicContact CG1-CG1 3.76Å; I85-V87 PolarHBondContact O-N 2.96Å; V87-I100 HydrophobicContact CB-CG2 3.97Å; V87-I100 HydrophobicContact CG2-CG2 4.49Å; V87-I100 WeakPolarHBondContact O-CG2 3.33Å |
| 88 | A | 96.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 136.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G47 I48 I100 | G47-A88 CarbonylContact C-O 3.55Å; G47-A88 VanDerWaalsContact CA-O 3.32Å; G47-A88 WeakPolarHBondContact CA-O 3.31Å; I48-A88 HydrophobicContact CB-CB 4.19Å; I48-A88 HydrophobicContact CD1-CB 3.9Å; I48-A88 HydrophobicContact CG1-CB 3.97Å; I48-A88 PolarHBondContact N-O 2.67Å; I48-A88 PolarHBondContact O-N 2.6Å; A88-I100 HydrophobicContact CB-CD1 4.24Å |
| 89 | K | 96.6 | Very high | 95.7 | Very high | 155 Ų | 155 | 62.2 Ų | 62.2 | 67% | 0.674 | 37% | 0.367 | S | S | * | . | trans | -66.3 | 165.1 | 170.7 | -71.3 | 178.7 | -179.9 | -177.1 | 0 | 111.5 | H45 E86 G91 | H45-K89 PolarHBondContact CE1-O 2.8Å; E86-K89 WeakPolarHBondContact OE2-CG 3.4Å; K89-G91 PolarHBondContact O-N 2.79Å | ||
| 90 | A | 97 | Very high | 95.9 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -50.8 | 135 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H45 | H45-A90 CarbonylContact O-C 3.53Å; H45-A90 WeakPolarHBondContact O-CA 3.41Å |
| 91 | G | 95.6 | Very high | 96 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -154.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q44 H45 K89 | Q44-G91 WeakPolarHBondContact CA-O 3.44Å; H45-G91 VanDerWaalsContact CD2-C 3.43Å; H45-G91 PolarHBondContact CD2-O 3.41Å; H45-G91 PolarHBondContact N-O 2.82Å; H45-G91 PolarHBondContact O-N 2.91Å; K89-G91 PolarHBondContact O-N 2.79Å |
| 92 | K | 94.6 | Very high | 96.1 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.5 | -177.6 | -161.1 | -176.6 | -162.8 | -164.2 | 0 | 109.9 | P42 L43 | P42-K92 HydrophobicContact CB-CD 4.1Å; P42-K92 HydrophobicContact CB-CG 4.26Å; L43-K92 CarbonylContact O-C 3.5Å; L43-K92 WeakPolarHBondContact O-CA 3.21Å |
| 93 | I | 93.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.3 | 172.2 | -59.4 | -60.5 | 0 | 0 | 0 | 108.2 | L37 P42 L43 I48 T98 | L37-I93 HydrophobicContact CD1-CG1 4.33Å; P42-I93 CarbonylContact C-O 3.57Å; P42-I93 WeakPolarHBondContact CA-O 3.35Å; L43-I93 HydrophobicContact CB-CB 4.43Å; L43-I93 PolarHBondContact N-O 3.4Å; L43-I93 PolarHBondContact O-N 3.11Å; I48-I93 HydrophobicContact CD1-CD1 4.36Å; I93-T98 HydrophobicContact CG2-CG2 4.36Å; I93-T98 WeakPolarHBondContact CG2-OG1 3.46Å |
| 94 | P | 94.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 160.3 | 177.1 | 28.5 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 95 | G | 94.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 66 Ų | 66 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -63.4 | 150.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 96 | G | 94.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.2 | -154.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C38 C39 | C38-G96 WeakPolarHBondContact CA-O 3.46Å; C39-G96 PolarHBondContact N-O 3.34Å; C39-G96 PolarHBondContact O-N 3.36Å |
| 97 | K | 96.3 | Very high | 96 | Very high | 120 Ų | 120 | 62 Ų | 62 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.2 | -179.3 | -176 | -175 | 176.2 | -155.4 | 0 | 109.6 | T36 L37 E99 | T36-K97 HydrophobicContact CG2-CD 4.33Å; T36-K97 HydrophobicContact CG2-CG 3.97Å; L37-K97 CarbonylContact O-C 3.56Å; L37-K97 WeakPolarHBondContact O-CA 3.28Å; K97-E99 WeakPolarHBondContact CE-OE1 3.38Å; K97-E99 IonicContact NZ-OE1 2.62Å; K97-E99 PolarHBondContact NZ-OE1 3.49Å |
| 98 | T | 97.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.2 | 171.9 | -58.5 | 0 | 0 | 0 | 0 | 109 | T36 L37 I93 I100 | T36-T98 WeakPolarHBondContact CA-O 3.12Å; L37-T98 PolarHBondContact N-O 3.04Å; L37-T98 PolarHBondContact O-N 3.11Å; I93-T98 HydrophobicContact CG2-CG2 4.36Å; I93-T98 WeakPolarHBondContact CG2-OG1 3.46Å; T98-I100 HydrophobicContact CG2-CG1 4.16Å |
| 99 | E | 97.7 | Very high | 94.9 | Very high | 100 Ų | 100 | 68 Ų | 68 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.2 | 174.8 | -67.7 | -174.9 | 149.3 | 0 | 0 | 109.4 | V34 V35 T36 K97 | V34-E99 HydrophobicContact CB-CB 4.47Å; V35-E99 WeakPolarHBondContact O-CA 3.19Å; T36-E99 HydrophobicContact CG2-CG 4.5Å; K97-E99 WeakPolarHBondContact CE-OE1 3.38Å; K97-E99 IonicContact NZ-OE1 2.62Å; K97-E99 PolarHBondContact NZ-OE1 3.49Å |
| 100 | I | 97.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.5 | 179.9 | -53 | 172.4 | 0 | 0 | 0 | 107.5 | V34 V35 L37 I48 V87 A88 T98 | V34-I100 CarbonylContact C-O 3.59Å; V34-I100 WeakPolarHBondContact CA-O 3.09Å; V35-I100 HydrophobicContact CB-CB 4.44Å; V35-I100 PolarHBondContact N-O 3.31Å; V35-I100 PolarHBondContact O-N 2.81Å; L37-I100 HydrophobicContact CD1-CD1 4.46Å; I48-I100 HydrophobicContact CD1-CD1 3.95Å; V87-I100 HydrophobicContact CB-CG2 3.97Å; V87-I100 HydrophobicContact CG2-CG2 4.49Å; V87-I100 WeakPolarHBondContact O-CG2 3.33Å; A88-I100 HydrophobicContact CB-CD1 4.24Å; T98-I100 HydrophobicContact CG2-CG1 4.16Å |
| 101 | P | 97.9 | Very high | 93.3 | Very high | 103 Ų | 103 | 69 Ų | 69 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 149.1 | -179.9 | 29.7 | -34.2 | 0 | 0 | 0 | 111.3 | G33 V34 | G33-P101 WeakPolarHBondContact O-CA 3.19Å; V34-P101 HydrophobicContact CG1-CB 4.49Å |
| 102 | F | 98 | Very high | 92.8 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.6 | 174.5 | 68.8 | -97.5 | 0 | 0 | 0 | 111.5 | I16 L18 A32 G33 V34 V35 L50 I85 F104 L129 | I16-F102 HydrophobicContact CG2-CE1 3.96Å; I16-F102 HydrophobicContact CG2-CZ 3.91Å; L18-F102 HydrophobicContact CD2-CE2 4.46Å; L18-F102 HydrophobicContact CD2-CZ 4.2Å; A32-F102 WeakPolarHBondContact CA-O 3.26Å; G33-F102 VanDerWaalsContact C-CD1 3.48Å; G33-F102 PolarHBondContact N-O 2.8Å; G33-F102 VanDerWaalsContact N-O 3.08Å; G33-F102 WeakPolarHBondContact O-CD1 3.39Å; G33-F102 PolarHBondContact O-N 2.86Å; V34-F102 VanDerWaalsContact N-CE1 3.34Å; V35-F102 HydrophobicContact CG2-CD1 4.01Å; V35-F102 HydrophobicContact CG2-CE1 4.34Å; L50-F102 HydrophobicContact CD2-CB 3.61Å; L50-F102 HydrophobicContact CD2-CD1 3.53Å; L50-F102 HydrophobicContact CD2-CD2 3.57Å; L50-F102 HydrophobicContact CD2-CE1 4.02Å; L50-F102 HydrophobicContact CD2-CE2 4.08Å; L50-F102 HydrophobicContact CD2-CG 3.27Å; L50-F102 HydrophobicContact CD2-CZ 4.28Å; I85-F102 HydrophobicContact CD1-CB 4.01Å; F102-F104 HydrophobicContact CD2-CD2 4.16Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F102-L129 HydrophobicContact CE2-CD1 3.63Å; F102-L129 HydrophobicContact CZ-CD1 3.6Å |
| 103 | E | 97.6 | Very high | 92.6 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 63% | 0.631 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 134.2 | 172.6 | -62.2 | -168.9 | 164.4 | 0 | 0 | 110.2 | T30 A32 | T30-E103 HydrophobicContact CG2-CB 3.83Å; T30-E103 HydrophobicContact CG2-CG 4.28Å; A32-E103 HydrophobicContact CB-CG 3.89Å |
| 104 | F | 97.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.8 | 170.9 | -78.6 | -73.7 | 0 | 0 | 0 | 110.9 | T30 V31 L50 M52 S83 I85 F102 L106 L129 | T30-F104 CarbonylContact C-O 3.59Å; T30-F104 WeakPolarHBondContact CA-O 3.29Å; V31-F104 HydrophobicContact CB-CB 4.39Å; V31-F104 PolarHBondContact N-O 2.63Å; V31-F104 PolarHBondContact O-N 2.88Å; L50-F104 HydrophobicContact CB-CE2 4.47Å; L50-F104 HydrophobicContact CD2-CD2 4.47Å; L50-F104 HydrophobicContact CD2-CE2 3.64Å; L50-F104 HydrophobicContact CD2-CZ 4.46Å; L50-F104 HydrophobicContact CG-CE2 3.79Å; L50-F104 HydrophobicContact CG-CZ 4.31Å; L50-F104 WeakPolarHBondContact O-CZ 3.38Å; M52-F104 HydrophobicContact CB-CD1 4.14Å; M52-F104 HydrophobicContact CB-CD2 3.99Å; M52-F104 HydrophobicContact CB-CE1 4.27Å; M52-F104 HydrophobicContact CB-CE2 4.11Å; M52-F104 HydrophobicContact CB-CG 3.98Å; M52-F104 HydrophobicContact CB-CZ 4.24Å; M52-F104 HydrophobicContact CE-CB 3.86Å; M52-F104 HydrophobicContact CE-CD1 4.4Å; M52-F104 HydrophobicContact CE-CG 4.3Å; M52-F104 HydrophobicContact SD-CB 3.7Å; M52-F104 HydrophobicContact SD-CG 4.17Å; S83-F104 WeakPolarHBondContact OG-CE1 3.49Å; I85-F104 HydrophobicContact CB-CZ 4.44Å; I85-F104 HydrophobicContact CD1-CE1 4.48Å; I85-F104 HydrophobicContact CD1-CE2 4.22Å; I85-F104 HydrophobicContact CD1-CZ 4Å; I85-F104 HydrophobicContact CG1-CE1 4.23Å; I85-F104 HydrophobicContact CG1-CE2 4.33Å; I85-F104 HydrophobicContact CG1-CZ 3.71Å; I85-F104 HydrophobicContact CG2-CE1 3.83Å; I85-F104 HydrophobicContact CG2-CZ 4.2Å; F102-F104 HydrophobicContact CD2-CD2 4.16Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F104-L106 PolarHBondContact O-N 3.49Å; F104-L129 HydrophobicContact CD2-CD2 3.76Å; F104-L129 HydrophobicContact CE2-CD2 3.86Å |
| 105 | P | 96.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 121.8 | 166.6 | 29.2 | -31.5 | 0 | 0 | 0 | 110.1 | I107 | P105-I107 VanDerWaalsContact C-N 3.27Å; P105-I107 HydrophobicContact CB-CD1 3.9Å; P105-I107 HydrophobicContact CB-CG1 4.09Å; P105-I107 PolarHBondContact O-N 3.06Å |
| 106 | L | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -83.9 | 72.2 | 174.1 | -174.5 | 61.4 | 0 | 0 | 0 | 109.8 | G28 E29 V31 M52 I81 F104 L114 F148 V150 | G28-L106 PolarHBondContact N-O 2.73Å; E29-L106 VanDerWaalsContact O-CB 3.25Å; E29-L106 WeakPolarHBondContact O-CB 3.25Å; E29-L106 PolarHBondContact O-N 3.37Å; V31-L106 HydrophobicContact CG2-CB 4.18Å; V31-L106 HydrophobicContact CG2-CD2 4.4Å; M52-L106 HydrophobicContact CE-CD1 4.45Å; M52-L106 HydrophobicContact SD-CD1 4.3Å; I81-L106 HydrophobicContact CD1-CD1 4.25Å; F104-L106 PolarHBondContact O-N 3.49Å; L106-L114 HydrophobicContact CD1-CD1 3.68Å; L106-L114 HydrophobicContact CG-CD1 3.78Å; L106-F148 HydrophobicContact CD1-CE2 4.16Å; L106-F148 HydrophobicContact CD1-CZ 4.31Å; L106-F148 HydrophobicContact CD2-CE2 4.24Å; L106-V150 HydrophobicContact CD1-CG2 4.48Å; L106-V150 HydrophobicContact CD2-CG2 3.93Å | ||
| 107 | I | 91.9 | Very high | 92.6 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 48% | 0.482 | 35% | 0.352 | S | S | . | . | trans | -125.7 | 125.1 | -176.3 | -56 | 175.1 | 0 | 0 | 0 | 108.3 | I81 P105 | I81-I107 VanDerWaalsContact CD1-O 3.28Å; I81-I107 WeakPolarHBondContact CD1-O 3.33Å; P105-I107 VanDerWaalsContact C-N 3.27Å; P105-I107 HydrophobicContact CB-CD1 3.9Å; P105-I107 HydrophobicContact CB-CG1 4.09Å; P105-I107 PolarHBondContact O-N 3.06Å | ||
| 108 | S | 85.6 | Confident | 92.5 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | trans | -60.7 | 146.5 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | E27 K112 | E27-S108 WeakPolarHBondContact OE1-CB 3.39Å; E27-S108 PolarHBondContact OE1-N 2.76Å; E27-S108 PolarHBondContact OE1-OG 3.39Å; S108-K112 WeakPolarHBondContact CB-O 3.48Å; S108-K112 PolarHBondContact OG-O 2.86Å | ||
| 109 | K | 82.4 | Confident | 92.3 | Very high | 145 Ų | 145 | 61.7 Ų | 61.7 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | trans | -106.2 | 135 | 175.9 | -68.8 | -178 | -179.6 | 171.7 | 0 | 110 | ||||
| 110 | G | 81.6 | Confident | 91.9 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 73% | 0.732 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -136 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K112 | G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.9Å |
| 111 | N | 78.6 | Confident | 91.5 | Very high | 174 Ų | 174 | 58.9 Ų | 58.9 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 19.9 | -178 | -63.2 | -12.7 | 0 | 0 | 0 | 113.2 | ||
| 112 | K | 85.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 54 Ų | 54 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | trans | -83.6 | 149.3 | 179.4 | -64.7 | -172.5 | 178.8 | -172.2 | 0 | 110.1 | P79 L80 S108 G110 | P79-K112 WeakPolarHBondContact O-CD 3.22Å; P79-K112 WeakPolarHBondContact O-CE 3.5Å; P79-K112 PolarHBondContact O-NZ 3.27Å; L80-K112 VanDerWaalsContact O-CD 3.31Å; L80-K112 WeakPolarHBondContact O-CD 3.34Å; S108-K112 WeakPolarHBondContact CB-O 3.48Å; S108-K112 PolarHBondContact OG-O 2.86Å; G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.9Å | ||
| 113 | V | 89.9 | Confident | 90.8 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | trans | -114.8 | 138.6 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 108 | Y115 | V113-Y115 HydrophobicContact CB-CE1 4.3Å; V113-Y115 HydrophobicContact CG1-CD1 4.37Å; V113-Y115 HydrophobicContact CG1-CE1 4.14Å | ||
| 114 | L | 93.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 124.8 | 169.2 | -56 | -169.2 | 0 | 0 | 0 | 108.7 | E27 L80 I81 L106 Y127 | E27-L114 HydrophobicContact CB-CD1 4.12Å; E27-L114 HydrophobicContact CG-CD1 4.04Å; E27-L114 HydrophobicContact CG-CG 4.43Å; L80-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CG2-CD2 4.32Å; L106-L114 HydrophobicContact CD1-CD1 3.68Å; L106-L114 HydrophobicContact CG-CD1 3.78Å; L114-Y127 WeakPolarHBondContact CA-OH 3.48Å; L114-Y127 WeakPolarHBondContact CB-OH 3.43Å; L114-Y127 HydrophobicContact CD2-CE1 4.18Å |
| 115 | Y | 93.9 | Very high | 90.6 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 161 | 177.7 | -59.7 | -63.4 | 0 | 0 | 0 | 110.3 | V56 L80 V113 I125 Y127 L272 T274 F277 | V56-Y115 HydrophobicContact CG2-CD2 4Å; V56-Y115 HydrophobicContact CG2-CE2 4.37Å; L80-Y115 HydrophobicContact CD1-CD2 3.82Å; L80-Y115 HydrophobicContact CD2-CD2 3.77Å; L80-Y115 HydrophobicContact CD2-CE2 3.73Å; L80-Y115 HydrophobicContact CG-CD2 4.46Å; V113-Y115 HydrophobicContact CB-CE1 4.3Å; V113-Y115 HydrophobicContact CG1-CD1 4.37Å; V113-Y115 HydrophobicContact CG1-CE1 4.14Å; Y115-I125 HydrophobicContact CD2-CD1 4.49Å; Y115-I125 HydrophobicContact CG-CD1 4.27Å; Y115-Y127 PolarHBondContact N-OH 2.88Å; Y115-Y127 WeakPolarHBondContact O-CE2 3.31Å; Y115-Y127 PolarHBondContact O-OH 2.68Å; Y115-Y127 VanDerWaalsContact O-OH 3.07Å; Y115-L272 HydrophobicContact CD1-CD1 3.62Å; Y115-L272 HydrophobicContact CD1-CD2 3.73Å; Y115-L272 HydrophobicContact CD1-CG 4.34Å; Y115-L272 HydrophobicContact CE1-CD1 3.7Å; Y115-L272 HydrophobicContact CE1-CD2 4.36Å; Y115-L272 HydrophobicContact CG-CD2 3.97Å; Y115-T274 HydrophobicContact CE1-CG2 4.06Å; Y115-F277 HydrophobicContact CD2-CZ 4.02Å; Y115-F277 HydrophobicContact CE2-CE1 4.29Å; Y115-F277 AromaticContact CE2-CZ 3.85Å; Y115-F277 HydrophobicContact CE2-CZ 3.85Å |
| 116 | E | 94.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.4 | 171.5 | -173.6 | 150.4 | 143.3 | 0 | 0 | 110.1 | Y118 V150 S152 C269 P270 R305 | E116-Y118 PolarHBondContact O-N 3.14Å; E116-V150 CarbonylContact C-O 3.54Å; E116-V150 VanDerWaalsContact CA-O 3.27Å; E116-V150 WeakPolarHBondContact CA-O 3.22Å; E116-S152 WeakPolarHBondContact OE2-CB 3.45Å; E116-S152 PolarHBondContact OE2-N 2.71Å; E116-S152 PolarHBondContact OE2-OG 2.69Å; E116-C269 HydrophobicContact CG-CB 4.36Å; E116-P270 VanDerWaalsContact OE1-CD 3.24Å; E116-P270 WeakPolarHBondContact OE1-CD 3.36Å; E116-P270 WeakPolarHBondContact OE2-CD 3.03Å; E116-R305 IonicContact OE1-CZ 3.93Å; E116-R305 IonicContact OE1-NE 2.86Å; E116-R305 PolarHBondContact OE1-NE 3.12Å; E116-R305 IonicContact OE1-NH2 3.86Å; E116-R305 PolarHBondContact OE1-NH2 2.69Å; E116-R305 IonicContact OE2-CZ 3.56Å; E116-R305 IonicContact OE2-NE 3.82Å; E116-R305 PolarHBondContact OE2-NE 3.3Å; E116-R305 IonicContact OE2-NH2 3.47Å |
| 117 | T | 95.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -56 | 131.2 | 173.5 | -63.2 | 0 | 0 | 0 | 0 | 109 | H119 I125 Y127 I149 V150 | T117-H119 WeakPolarHBondContact CG2-NE2 3.43Å; T117-I125 WeakPolarHBondContact CA-O 3.17Å; T117-I125 WeakPolarHBondContact CG2-O 3.34Å; T117-Y127 WeakPolarHBondContact OG1-CD2 3.39Å; T117-I149 HydrophobicContact CG2-CD1 3.78Å; T117-I149 WeakPolarHBondContact OG1-CA 3.19Å; T117-V150 PolarHBondContact N-O 3.24Å; T117-V150 PolarHBondContact OG1-N 2.83Å |
| 118 | Y | 94.2 | Very high | 91 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 134.6 | -173 | 169.4 | -95.3 | 0 | 0 | 0 | 110.3 | E116 V123 N124 I125 R224 E226 C269 V279 | E116-Y118 PolarHBondContact O-N 3.14Å; Y118-V123 HydrophobicContact CD1-CB 4.32Å; Y118-V123 HydrophobicContact CD1-CG1 4.22Å; Y118-V123 WeakPolarHBondContact CD1-O 3.47Å; Y118-V123 HydrophobicContact CE1-CB 3.95Å; Y118-V123 HydrophobicContact CE1-CG1 4.33Å; Y118-V123 WeakPolarHBondContact CE1-O 3.27Å; Y118-N124 CarbonylContact O-C 3.6Å; Y118-N124 WeakPolarHBondContact O-CA 3.34Å; Y118-I125 PolarHBondContact N-O 3.07Å; Y118-I125 PolarHBondContact O-N 3.19Å; Y118-R224 WeakPolarHBondContact OH-CD 3.5Å; Y118-R224 PolarHBondContact OH-NE 2.8Å; Y118-R224 PolarHBondContact OH-NH1 2.8Å; Y118-E226 WeakPolarHBondContact CE1-OE1 3.34Å; Y118-E226 WeakPolarHBondContact OH-CG 3.36Å; Y118-E226 PolarHBondContact OH-OE1 2.77Å; Y118-C269 HydrophobicContact CD2-CB 4.01Å; Y118-C269 WeakPolarHBondContact CD2-SG 3.48Å; Y118-V279 HydrophobicContact CD1-CG2 4.07Å; Y118-V279 HydrophobicContact CD2-CG1 4.29Å; Y118-V279 HydrophobicContact CE1-CG1 4.15Å; Y118-V279 HydrophobicContact CE1-CG2 3.73Å; Y118-V279 HydrophobicContact CE2-CG1 3.65Å |
| 119 | H | 93.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 96.9 | -178.3 | -57.2 | -56.6 | 0 | 0 | 0 | 110.3 | T117 N124 E147 R224 | T117-H119 WeakPolarHBondContact CG2-NE2 3.43Å; H119-N124 PolarHBondContact ND1-ND2 3.28Å; H119-N124 VanDerWaalsContact ND1-ND2 3.11Å; H119-E147 IonicContact CE1-OE1 3.14Å; H119-E147 PolarHBondContact CE1-OE1 2.71Å; H119-E147 IonicContact NE2-OE1 3.44Å; H119-E147 PolarHBondContact NE2-OE1 2.97Å; H119-E147 IonicContact NE2-OE2 2.9Å; H119-R224 PolarHBondContact O-NH1 2.92Å |
| 120 | G | 90.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | trans | -110.2 | -175.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V123 E226 | G120-V123 CarbonylContact C-O 3.57Å; G120-V123 WeakPolarHBondContact CA-O 3.34Å; G120-V123 PolarHBondContact N-O 2.83Å; G120-E226 VanDerWaalsContact CA-OE1 3.26Å; G120-E226 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 121 | V | 88.8 | Confident | 93.2 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 30% | 0.303 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -79.5 | -51.5 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | Q59 E226 | Q59-V121 WeakPolarHBondContact CG-O 3.46Å; Q59-V121 PolarHBondContact NE2-O 3.47Å; V121-E226 WeakPolarHBondContact CB-OE2 3.49Å; V121-E226 PolarHBondContact N-OE1 2.87Å; V121-E226 PolarHBondContact N-OE2 2.82Å |
| 122 | F | 88.6 | Confident | 94.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -94.3 | -31.3 | -177.1 | -77.9 | 18.2 | 0 | 0 | 0 | 113.1 | L58 Q59 L60 E226 C228 A235 D237 | L58-F122 WeakPolarHBondContact CA-O 3.25Å; Q59-F122 PolarHBondContact N-O 2.91Å; Q59-F122 WeakPolarHBondContact O-CA 3.42Å; Q59-F122 WeakPolarHBondContact O-CB 3.35Å; L60-F122 HydrophobicContact CD2-CE2 4.46Å; F122-E226 HydrophobicContact CB-CB 3.92Å; F122-E226 HydrophobicContact CG-CB 4.49Å; F122-E226 PolarHBondContact N-OE1 2.69Å; F122-E226 PolarHBondContact N-OE2 2.75Å; F122-C228 HydrophobicContact CB-CB 4.33Å; F122-C228 VanDerWaalsContact CD2-SG 3.59Å; F122-A235 HydrophobicContact CD2-CB 4.38Å; F122-A235 HydrophobicContact CE2-CB 3.73Å; F122-D237 HydrophobicContact CD1-CB 4.42Å; F122-D237 HydrophobicContact CD2-CB 4.19Å; F122-D237 HydrophobicContact CE1-CB 3.82Å; F122-D237 HydrophobicContact CE2-CB 3.61Å; F122-D237 HydrophobicContact CZ-CB 3.42Å; F122-D237 VanDerWaalsContact CZ-CB 3.42Å |
| 123 | V | 92.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.4 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | V56 L58 Y118 G120 I125 E226 C228 F277 V279 | V56-V123 HydrophobicContact CG1-CG1 4.14Å; L58-V123 HydrophobicContact CD2-CB 4.3Å; L58-V123 HydrophobicContact CD2-CG1 4.08Å; L58-V123 HydrophobicContact CD2-CG2 3.89Å; Y118-V123 HydrophobicContact CD1-CB 4.32Å; Y118-V123 HydrophobicContact CD1-CG1 4.22Å; Y118-V123 WeakPolarHBondContact CD1-O 3.47Å; Y118-V123 HydrophobicContact CE1-CB 3.95Å; Y118-V123 HydrophobicContact CE1-CG1 4.33Å; Y118-V123 WeakPolarHBondContact CE1-O 3.27Å; G120-V123 CarbonylContact C-O 3.57Å; G120-V123 WeakPolarHBondContact CA-O 3.34Å; G120-V123 PolarHBondContact N-O 2.83Å; V123-I125 HydrophobicContact CG1-CD1 4.41Å; V123-I125 HydrophobicContact CG1-CG1 4.06Å; V123-E226 PolarHBondContact N-OE1 2.85Å; V123-E226 VanDerWaalsContact N-OE1 3.14Å; V123-C228 HydrophobicContact CG2-CB 4.42Å; V123-F277 HydrophobicContact CB-CD2 4.48Å; V123-F277 HydrophobicContact CG1-CD2 3.57Å; V123-F277 HydrophobicContact CG1-CE2 3.89Å; V123-F277 HydrophobicContact CG1-CG 4.3Å; V123-F277 HydrophobicContact CG2-CB 3.97Å; V123-F277 HydrophobicContact CG2-CD2 4.07Å; V123-F277 HydrophobicContact CG2-CG 4.38Å; V123-V279 HydrophobicContact CB-CG2 4.21Å; V123-V279 HydrophobicContact CG1-CG2 4.18Å; V123-V279 HydrophobicContact CG2-CG2 4.37Å |
| 124 | N | 93.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 17% | 0.166 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.9 | 173.6 | 179 | -77.5 | 0 | 0 | 0 | 109.1 | V56 N57 Y118 H119 | V56-N124 CarbonylContact C-O 3.6Å; V56-N124 WeakPolarHBondContact CA-O 3.32Å; N57-N124 HydrophobicContact CB-CB 4.29Å; N57-N124 PolarHBondContact N-O 2.86Å; N57-N124 PolarHBondContact O-N 2.85Å; Y118-N124 CarbonylContact O-C 3.6Å; Y118-N124 WeakPolarHBondContact O-CA 3.34Å; H119-N124 PolarHBondContact ND1-ND2 3.28Å; H119-N124 VanDerWaalsContact ND1-ND2 3.11Å |
| 125 | I | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 112.4 | 178.8 | -50.5 | -177.1 | 0 | 0 | 0 | 106.7 | V56 L80 Y115 T117 Y118 V123 Y127 L272 F277 | V56-I125 HydrophobicContact CG1-CG1 4.2Å; V56-I125 HydrophobicContact CG2-CG1 4.14Å; V56-I125 HydrophobicContact CG2-CG2 4.39Å; L80-I125 HydrophobicContact CD1-CG2 4.03Å; Y115-I125 HydrophobicContact CD2-CD1 4.49Å; Y115-I125 HydrophobicContact CG-CD1 4.27Å; T117-I125 WeakPolarHBondContact CA-O 3.17Å; T117-I125 WeakPolarHBondContact CG2-O 3.34Å; Y118-I125 PolarHBondContact N-O 3.07Å; Y118-I125 PolarHBondContact O-N 3.19Å; V123-I125 HydrophobicContact CG1-CD1 4.41Å; V123-I125 HydrophobicContact CG1-CG1 4.06Å; I125-Y127 HydrophobicContact CG2-CE2 3.92Å; I125-L272 HydrophobicContact CD1-CD2 3.81Å; I125-F277 HydrophobicContact CD1-CE2 4.01Å; I125-F277 HydrophobicContact CD1-CZ 4.35Å |
| 126 | Q | 97 | Very high | 94.8 | Very high | 61 Ų | 61 | 29 Ų | 29 | 29% | 0.285 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142 | -171.3 | 172.3 | 166.1 | 65.8 | 0 | 0 | 111.5 | G54 I55 E147 | G54-Q126 CarbonylContact C-O 3.53Å; G54-Q126 VanDerWaalsContact CA-O 3.3Å; G54-Q126 WeakPolarHBondContact CA-O 3.31Å; I55-Q126 PolarHBondContact N-O 3.25Å; I55-Q126 PolarHBondContact O-N 3.04Å; Q126-E147 VanDerWaalsContact CG-OE1 3.31Å; Q126-E147 WeakPolarHBondContact CG-OE1 3.17Å; Q126-E147 PolarHBondContact NE2-OE1 2.93Å |
| 127 | Y | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.3 | 175.6 | -65.4 | -94.7 | 0 | 0 | 0 | 110.2 | D53 L80 I81 L114 Y115 T117 I125 E147 F148 V150 | D53-Y127 CarbonylContact O-C 3.55Å; D53-Y127 WeakPolarHBondContact O-CA 3.42Å; L80-Y127 HydrophobicContact CD1-CE1 4.49Å; L80-Y127 VanDerWaalsContact CD1-OH 3.25Å; L80-Y127 WeakPolarHBondContact CD1-OH 3.19Å; I81-Y127 HydrophobicContact CG2-CD1 4.13Å; I81-Y127 HydrophobicContact CG2-CE1 4.02Å; L114-Y127 WeakPolarHBondContact CA-OH 3.48Å; L114-Y127 WeakPolarHBondContact CB-OH 3.43Å; L114-Y127 HydrophobicContact CD2-CE1 4.18Å; Y115-Y127 PolarHBondContact N-OH 2.88Å; Y115-Y127 WeakPolarHBondContact O-CE2 3.31Å; Y115-Y127 PolarHBondContact O-OH 2.68Å; Y115-Y127 VanDerWaalsContact O-OH 3.07Å; T117-Y127 WeakPolarHBondContact OG1-CD2 3.39Å; I125-Y127 HydrophobicContact CG2-CE2 3.92Å; Y127-E147 WeakPolarHBondContact O-CA 3.3Å; Y127-F148 HydrophobicContact CD1-CE2 4.44Å; Y127-F148 HydrophobicContact CD1-CZ 4.32Å; Y127-F148 HydrophobicContact CG-CE2 4.3Å; Y127-F148 HydrophobicContact CG-CZ 4.36Å; Y127-F148 PolarHBondContact O-N 3.41Å; Y127-V150 HydrophobicContact CD1-CG2 3.74Å; Y127-V150 HydrophobicContact CD2-CB 3.82Å; Y127-V150 HydrophobicContact CD2-CG2 3.47Å; Y127-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y127-V150 HydrophobicContact CE1-CG2 3.94Å; Y127-V150 HydrophobicContact CE2-CB 3.67Å; Y127-V150 HydrophobicContact CE2-CG1 4.36Å; Y127-V150 HydrophobicContact CE2-CG2 3.7Å; Y127-V150 HydrophobicContact CG-CB 4.34Å; Y127-V150 HydrophobicContact CG-CG2 3.49Å; Y127-V150 VanDerWaalsContact CG-CG2 3.49Å |
| 128 | T | 98.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.4 | -170.5 | -62 | 0 | 0 | 0 | 0 | 111.2 | M52 D53 C146 | M52-T128 WeakPolarHBondContact CA-O 3.36Å; D53-T128 PolarHBondContact N-O 3.12Å; D53-T128 PolarHBondContact O-N 3.01Å; T128-C146 WeakPolarHBondContact CA-O 3.29Å |
| 129 | L | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.1 | 159.5 | -67.7 | 174.6 | 0 | 0 | 0 | 109.4 | I16 L18 V31 L50 S51 M52 F102 F104 S145 C146 F148 | I16-L129 HydrophobicContact CD1-CB 4.11Å; I16-L129 HydrophobicContact CG2-CB 4.44Å; I16-L129 HydrophobicContact CG2-CD1 3.98Å; L18-L129 HydrophobicContact CD2-CD1 3.53Å; L18-L129 HydrophobicContact CG-CD1 4.44Å; V31-L129 HydrophobicContact CG1-CD1 3.99Å; V31-L129 HydrophobicContact CG1-CD2 4.48Å; V31-L129 HydrophobicContact CG1-CG 4.49Å; L50-L129 HydrophobicContact CD1-CB 4.47Å; S51-L129 CarbonylContact O-C 3.47Å; S51-L129 VanDerWaalsContact O-CA 3.22Å; S51-L129 WeakPolarHBondContact O-CA 3.31Å; M52-L129 HydrophobicContact CB-CD2 3.69Å; M52-L129 HydrophobicContact CG-CD2 3.93Å; F102-L129 HydrophobicContact CE2-CD1 3.63Å; F102-L129 HydrophobicContact CZ-CD1 3.6Å; F104-L129 HydrophobicContact CD2-CD2 3.76Å; F104-L129 HydrophobicContact CE2-CD2 3.86Å; L129-S145 CarbonylContact O-C 3.49Å; L129-S145 WeakPolarHBondContact O-CA 3.37Å; L129-C146 PolarHBondContact N-O 2.75Å; L129-C146 PolarHBondContact O-N 2.76Å; L129-F148 HydrophobicContact CG-CD1 4.28Å; L129-F148 HydrophobicContact CG-CE1 4.21Å |
| 130 | R | 98.4 | Very high | 92.9 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.9 | 175.1 | 179.5 | -176 | 170.5 | 113 | 8.3 | 110.2 | L50 S51 D132 S143 R144 | L50-R130 CarbonylContact C-O 3.54Å; L50-R130 WeakPolarHBondContact CA-O 3.45Å; S51-R130 PolarHBondContact N-O 3.46Å; S51-R130 PolarHBondContact O-N 3.09Å; R130-D132 IonicContact CZ-OD1 3.4Å; R130-D132 IonicContact CZ-OD2 3.34Å; R130-D132 IonicContact NE-OD1 2.84Å; R130-D132 PolarHBondContact NE-OD1 3.25Å; R130-D132 VanDerWaalsContact NE-OD1 3.14Å; R130-D132 IonicContact NE-OD2 3.35Å; R130-D132 PolarHBondContact NE-OD2 2.8Å; R130-D132 IonicContact NH2-OD1 3.53Å; R130-D132 PolarHBondContact NH2-OD1 3.4Å; R130-D132 IonicContact NH2-OD2 3.06Å; R130-S143 VanDerWaalsContact CZ-OG 3.26Å; R130-S143 PolarHBondContact NE-OG 2.98Å; R130-S143 PolarHBondContact NH2-OG 3.36Å; R130-R144 CarbonylContact C-O 3.58Å; R130-R144 WeakPolarHBondContact CA-O 3.49Å |
| 131 | C | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.5 | 174.4 | -168 | 0 | 0 | 0 | 0 | 109.3 | L14 I16 A49 L50 S143 R144 | L14-C131 HydrophobicContact CD2-CB 4.21Å; I16-C131 HydrophobicContact CD1-CB 3.82Å; I16-C131 HydrophobicContact CG1-CB 3.97Å; A49-C131 CarbonylContact O-C 3.45Å; A49-C131 WeakPolarHBondContact O-CA 3.49Å; L50-C131 HydrophobicContact CD1-CB 3.68Å; C131-S143 CarbonylContact O-C 3.58Å; C131-S143 VanDerWaalsContact O-CA 3.26Å; C131-S143 WeakPolarHBondContact O-CA 3.27Å; C131-S143 PolarHBondContact O-OG 3.09Å; C131-R144 PolarHBondContact N-O 3.38Å; C131-R144 PolarHBondContact O-N 2.89Å |
| 132 | D | 97.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.5 | 175.5 | -68.9 | -66.4 | 0 | 0 | 0 | 109.7 | I48 A49 R130 S143 | I48-D132 WeakPolarHBondContact CA-O 3.47Å; A49-D132 PolarHBondContact N-O 3.22Å; A49-D132 PolarHBondContact O-N 3.22Å; R130-D132 IonicContact CZ-OD1 3.4Å; R130-D132 IonicContact CZ-OD2 3.34Å; R130-D132 IonicContact NE-OD1 2.84Å; R130-D132 PolarHBondContact NE-OD1 3.25Å; R130-D132 VanDerWaalsContact NE-OD1 3.14Å; R130-D132 IonicContact NE-OD2 3.35Å; R130-D132 PolarHBondContact NE-OD2 2.8Å; R130-D132 IonicContact NH2-OD1 3.53Å; R130-D132 PolarHBondContact NH2-OD1 3.4Å; R130-D132 IonicContact NH2-OD2 3.06Å; D132-S143 WeakPolarHBondContact OD1-CB 3.27Å; D132-S143 PolarHBondContact OD1-OG 2.84Å |
| 133 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.2 | 172.8 | 170.5 | 72.5 | 0 | 0 | 0 | 108.6 | L14 L37 L43 H45 I48 R135 L142 | L14-L133 HydrophobicContact CD2-CB 4.18Å; L37-L133 HydrophobicContact CD2-CD2 3.99Å; L43-L133 HydrophobicContact CD2-CD2 3.84Å; H45-L133 HydrophobicContact CB-CD1 3.53Å; I48-L133 HydrophobicContact CD1-CD1 3.82Å; I48-L133 HydrophobicContact CG1-CD1 3.55Å; L133-R135 HydrophobicContact CD2-CG 4.3Å; L133-R135 HydrophobicContact CG-CG 4.23Å; L133-L142 HydrophobicContact CB-CB 4.21Å; L133-L142 HydrophobicContact CD2-CB 4.21Å; L133-L142 HydrophobicContact CD2-CD1 3.92Å; L133-L142 HydrophobicContact CD2-CG 4.26Å; L133-L142 PolarHBondContact N-O 2.92Å; L133-L142 PolarHBondContact O-N 3.03Å; L133-L142 VanDerWaalsContact O-N 3.11Å |
| 134 | K | 95.9 | Very high | 94.1 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | trans | -80.3 | 123.1 | 176.6 | -64.3 | -59.2 | -175.4 | 174.9 | 0 | 110.4 | H45 N46 G47 D141 | H45-K134 CarbonylContact C-O 3.6Å; H45-K134 WeakPolarHBondContact CA-O 3.46Å; H45-K134 WeakPolarHBondContact CB-O 3.04Å; N46-K134 HydrophobicContact CB-CB 3.95Å; N46-K134 PolarHBondContact N-O 2.89Å; G47-K134 PolarHBondContact O-N 2.57Å; K134-D141 WeakPolarHBondContact CA-OD1 3.49Å; K134-D141 WeakPolarHBondContact CD-OD2 3.47Å; K134-D141 WeakPolarHBondContact CE-OD2 3.3Å; K134-D141 IonicContact NZ-OD2 3.4Å; K134-D141 PolarHBondContact NZ-OD2 3.33Å | ||
| 135 | R | 92.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 18% | 0.177 | 32% | 0.318 | C | S | . | . | trans | -105.3 | 152.2 | -179.4 | -63.2 | -161.6 | -70.6 | -175.4 | -2.3 | 111.5 | L133 A139 K140 D141 | L133-R135 HydrophobicContact CD2-CG 4.3Å; L133-R135 HydrophobicContact CG-CG 4.23Å; R135-A139 HydrophobicContact CB-CB 3.85Å; R135-K140 PolarHBondContact NE-O 3.35Å; R135-K140 PolarHBondContact NH2-O 3.06Å; R135-D141 PolarHBondContact N-OD1 3.44Å | ||
| 136 | P | 92.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 63.9 Ų | 63.9 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -67.1 | 151.1 | 178 | -20.8 | 33.1 | 0 | 0 | 0 | 113.4 | Q44 L138 A139 | Q44-P136 HydrophobicContact CB-CG 4.09Å; Q44-P136 HydrophobicContact CG-CG 3.88Å; Q44-P136 WeakPolarHBondContact O-CD 3.24Å; P136-L138 PolarHBondContact O-N 2.78Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.83Å |
| 137 | L | 83.8 | Confident | 94.3 | Very high | 175 Ų | 175 | 64.2 Ų | 64.2 | 92% | 0.916 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -127 | 166.7 | -56.5 | 170 | 0 | 0 | 0 | 114 | ||
| 138 | L | 77.1 | Confident | 94.3 | Very high | 180 Ų | 180 | 64.2 Ų | 64.2 | 94% | 0.942 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.1 | -176.3 | -64.8 | 169.6 | 0 | 0 | 0 | 113 | P136 K140 | P136-L138 PolarHBondContact O-N 2.78Å; L138-K140 PolarHBondContact O-N 2.79Å |
| 139 | A | 85.8 | Confident | 94.2 | Very high | 45 Ų | 45 | 65 Ų | 65 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -71.9 | 123 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R135 P136 D141 | R135-A139 HydrophobicContact CB-CB 3.85Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.83Å; A139-D141 PolarHBondContact O-N 2.91Å |
| 140 | K | 90 | Very high | 94 | Very high | 172 Ų | 172 | 65.1 Ų | 65.1 | 75% | 0.748 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 132.6 | 178.3 | -177.3 | 179.7 | 178.6 | 177.5 | 0 | 110.9 | R135 L138 | R135-K140 PolarHBondContact NE-O 3.35Å; R135-K140 PolarHBondContact NH2-O 3.06Å; L138-K140 PolarHBondContact O-N 2.79Å |
| 141 | D | 94.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -59 | 152.4 | 173.7 | -69.8 | -24.8 | 0 | 0 | 0 | 112.1 | K134 R135 A139 | K134-D141 WeakPolarHBondContact CA-OD1 3.49Å; K134-D141 WeakPolarHBondContact CD-OD2 3.47Å; K134-D141 WeakPolarHBondContact CE-OD2 3.3Å; K134-D141 IonicContact NZ-OD2 3.4Å; K134-D141 PolarHBondContact NZ-OD2 3.33Å; R135-D141 PolarHBondContact N-OD1 3.44Å; A139-D141 PolarHBondContact O-N 2.91Å |
| 142 | L | 95.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.6 | 170.5 | -58.2 | -176.6 | 0 | 0 | 0 | 109.3 | V12 L14 L133 | V12-L142 HydrophobicContact CB-CD1 3.84Å; V12-L142 HydrophobicContact CG1-CD1 3.41Å; V12-L142 VanDerWaalsContact CG1-CD1 3.41Å; L14-L142 HydrophobicContact CB-CB 4.44Å; L14-L142 HydrophobicContact CD2-CB 4.17Å; L133-L142 HydrophobicContact CB-CB 4.21Å; L133-L142 HydrophobicContact CD2-CB 4.21Å; L133-L142 HydrophobicContact CD2-CD1 3.92Å; L133-L142 HydrophobicContact CD2-CG 4.26Å; L133-L142 PolarHBondContact N-O 2.92Å; L133-L142 PolarHBondContact O-N 3.03Å; L133-L142 VanDerWaalsContact O-N 3.11Å |
| 143 | S | 96.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.6 | 175.5 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | R130 C131 D132 | R130-S143 VanDerWaalsContact CZ-OG 3.26Å; R130-S143 PolarHBondContact NE-OG 2.98Å; R130-S143 PolarHBondContact NH2-OG 3.36Å; C131-S143 CarbonylContact O-C 3.58Å; C131-S143 VanDerWaalsContact O-CA 3.26Å; C131-S143 WeakPolarHBondContact O-CA 3.27Å; C131-S143 PolarHBondContact O-OG 3.09Å; D132-S143 WeakPolarHBondContact OD1-CB 3.27Å; D132-S143 PolarHBondContact OD1-OG 2.84Å |
| 144 | R | 97.9 | Very high | 91.7 | Very high | 127 Ų | 127 | 68.9 Ų | 68.9 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.9 | 175.1 | -168.3 | 72.9 | 169.8 | 167 | 1.2 | 109.4 | L14 D15 I16 R130 C131 | L14-R144 HydrophobicContact CD2-CB 4.11Å; L14-R144 HydrophobicContact CG-CB 4.01Å; L14-R144 WeakPolarHBondContact O-CD 3.39Å; D15-R144 IonicContact OD1-NE 3.35Å; D15-R144 PolarHBondContact OD1-NE 2.96Å; D15-R144 IonicContact OD1-NH2 3.96Å; I16-R144 WeakPolarHBondContact CD1-O 3.44Å; I16-R144 HydrophobicContact CG1-CG 4.43Å; R130-R144 CarbonylContact C-O 3.58Å; R130-R144 WeakPolarHBondContact CA-O 3.49Å; C131-R144 PolarHBondContact N-O 3.38Å; C131-R144 PolarHBondContact O-N 2.89Å |
| 145 | S | 97.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.3 | 173.7 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | L129 | L129-S145 CarbonylContact O-C 3.49Å; L129-S145 WeakPolarHBondContact O-CA 3.37Å |
| 146 | C | 96.6 | Very high | 89.6 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 119.4 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | I16 T128 L129 | I16-C146 HydrophobicContact CB-CB 3.99Å; I16-C146 HydrophobicContact CD1-CB 4.21Å; I16-C146 HydrophobicContact CG2-CB 4.08Å; T128-C146 WeakPolarHBondContact CA-O 3.29Å; L129-C146 PolarHBondContact N-O 2.75Å; L129-C146 PolarHBondContact O-N 2.76Å |
| 147 | E | 97.7 | Very high | 88.3 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 145.2 | 172 | 179.7 | 170.4 | -120.7 | 0 | 0 | 111.2 | H119 Q126 Y127 | H119-E147 IonicContact CE1-OE1 3.14Å; H119-E147 PolarHBondContact CE1-OE1 2.71Å; H119-E147 IonicContact NE2-OE1 3.44Å; H119-E147 PolarHBondContact NE2-OE1 2.97Å; H119-E147 IonicContact NE2-OE2 2.9Å; Q126-E147 VanDerWaalsContact CG-OE1 3.31Å; Q126-E147 WeakPolarHBondContact CG-OE1 3.17Å; Q126-E147 PolarHBondContact NE2-OE1 2.93Å; Y127-E147 WeakPolarHBondContact O-CA 3.3Å |
| 148 | F | 97.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.3 | 166.7 | 65.5 | -86.1 | 0 | 0 | 0 | 110.2 | L18 K23 Y25 V31 M52 L106 Y127 L129 V150 | L18-F148 HydrophobicContact CD1-CB 3.89Å; K23-F148 HydrophobicContact CB-CB 4.37Å; Y25-F148 HydrophobicContact CD2-CB 4.12Å; Y25-F148 AromaticContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CG 4.25Å; Y25-F148 HydrophobicContact CE2-CB 4.06Å; Y25-F148 HydrophobicContact CE2-CD2 4.31Å; Y25-F148 HydrophobicContact CE2-CG 4.43Å; Y25-F148 HydrophobicContact CG-CD2 4.42Å; V31-F148 HydrophobicContact CG2-CD2 4.35Å; V31-F148 HydrophobicContact CG2-CE2 3.88Å; V31-F148 HydrophobicContact CG2-CZ 4.05Å; M52-F148 HydrophobicContact CG-CE1 4Å; M52-F148 HydrophobicContact CG-CZ 3.95Å; M52-F148 HydrophobicContact SD-CE1 4.34Å; M52-F148 HydrophobicContact SD-CZ 3.85Å; L106-F148 HydrophobicContact CD1-CE2 4.16Å; L106-F148 HydrophobicContact CD1-CZ 4.31Å; L106-F148 HydrophobicContact CD2-CE2 4.24Å; Y127-F148 HydrophobicContact CD1-CE2 4.44Å; Y127-F148 HydrophobicContact CD1-CZ 4.32Å; Y127-F148 HydrophobicContact CG-CE2 4.3Å; Y127-F148 HydrophobicContact CG-CZ 4.36Å; Y127-F148 PolarHBondContact O-N 3.41Å; L129-F148 HydrophobicContact CG-CD1 4.28Å; L129-F148 HydrophobicContact CG-CE1 4.21Å; F148-V150 HydrophobicContact CD2-CG2 4.06Å; F148-V150 HydrophobicContact CE2-CG2 3.68Å |
| 149 | I | 96.1 | Very high | 87.2 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.6 | -175.8 | -53.9 | -54.5 | 0 | 0 | 0 | 108.5 | K23 V24 Y25 T117 | K23-I149 PolarHBondContact O-N 2.84Å; V24-I149 CarbonylContact C-O 3.55Å; V24-I149 WeakPolarHBondContact CA-O 3.36Å; V24-I149 HydrophobicContact CG2-CB 4.12Å; V24-I149 HydrophobicContact CG2-CG2 4.32Å; Y25-I149 PolarHBondContact N-O 3.16Å; T117-I149 HydrophobicContact CG2-CD1 3.78Å; T117-I149 WeakPolarHBondContact OG1-CA 3.19Å |
| 150 | V | 95.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.4 | 167.9 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | Y25 L106 E116 T117 Y127 F148 | Y25-V150 CarbonylContact O-C 3.59Å; Y25-V150 VanDerWaalsContact O-CA 3.31Å; Y25-V150 WeakPolarHBondContact O-CA 3.42Å; L106-V150 HydrophobicContact CD1-CG2 4.48Å; L106-V150 HydrophobicContact CD2-CG2 3.93Å; E116-V150 CarbonylContact C-O 3.54Å; E116-V150 VanDerWaalsContact CA-O 3.27Å; E116-V150 WeakPolarHBondContact CA-O 3.22Å; T117-V150 PolarHBondContact N-O 3.24Å; T117-V150 PolarHBondContact OG1-N 2.83Å; Y127-V150 HydrophobicContact CD1-CG2 3.74Å; Y127-V150 HydrophobicContact CD2-CB 3.82Å; Y127-V150 HydrophobicContact CD2-CG2 3.47Å; Y127-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y127-V150 HydrophobicContact CE1-CG2 3.94Å; Y127-V150 HydrophobicContact CE2-CB 3.67Å; Y127-V150 HydrophobicContact CE2-CG1 4.36Å; Y127-V150 HydrophobicContact CE2-CG2 3.7Å; Y127-V150 HydrophobicContact CG-CB 4.34Å; Y127-V150 HydrophobicContact CG-CG2 3.49Å; Y127-V150 VanDerWaalsContact CG-CG2 3.49Å; F148-V150 HydrophobicContact CD2-CG2 4.06Å; F148-V150 HydrophobicContact CE2-CG2 3.68Å |
| 151 | H | 92.4 | Very high | 86.2 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.8 | 166.3 | -78.9 | 179.1 | 0 | 0 | 0 | 109.6 | V24 Y25 | V24-H151 HydrophobicContact CG1-CB 4.29Å; V24-H151 WeakPolarHBondContact CG1-ND1 3.36Å; Y25-H151 PolarHBondContact O-N 2.92Å |
| 152 | S | 86.1 | Confident | 86 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 146 | 167.7 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | E116 P270 | E116-S152 WeakPolarHBondContact OE2-CB 3.45Å; E116-S152 PolarHBondContact OE2-N 2.71Å; E116-S152 PolarHBondContact OE2-OG 2.69Å; S152-P270 WeakPolarHBondContact OG-CG 3.44Å |
| 153 | Q | 83.3 | Confident | 85.9 | Confident | 100 Ų | 100 | 72.9 Ų | 72.9 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 141.9 | 169.9 | -74.3 | -69.5 | -12.9 | 0 | 0 | 109.4 | E27 Q155 | E27-Q153 PolarHBondContact O-NE2 3.06Å; Q153-Q155 PolarHBondContact O-N 3Å |
| 154 | P | 79.9 | Confident | 85.9 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 126.1 | 174.5 | -31 | 37.3 | 0 | 0 | 0 | 111.6 | K156 V306 | P154-K156 PolarHBondContact O-N 3.2Å; P154-K156 VanDerWaalsContact O-N 3.13Å; P154-V306 WeakPolarHBondContact CB-OXT 3.46Å |
| 155 | Q | 78.8 | Confident | 85.9 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | trans | -67.2 | 115.1 | 178.1 | -69.3 | -180 | -15 | 0 | 0 | 108.1 | Q153 S157 C304 R305 | Q153-Q155 PolarHBondContact O-N 3Å; Q155-S157 PolarHBondContact O-N 2.9Å; Q155-S157 VanDerWaalsContact O-N 3.09Å; Q155-C304 VanDerWaalsContact OE1-CB 3.31Å; Q155-C304 PolarHBondContact OE1-SG 3.3Å; Q155-R305 PolarHBondContact N-O 3.12Å | ||
| 156 | K | 66.3 | Low | 85.8 | Confident | 217 Ų | 217 | 72.6 Ų | 72.6 | 94% | 0.943 | 38% | 0.377 | S | S | * | . | trans | -65.3 | -12.2 | -175.8 | -64.9 | -175.5 | -179.5 | 178.9 | 0 | 114 | P154 | P154-K156 PolarHBondContact O-N 3.2Å; P154-K156 VanDerWaalsContact O-N 3.13Å | ||
| 157 | S | 64.3 | Low | 85.9 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 51% | 0.51 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -70.4 | 132.2 | 179 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | Q155 I159 | Q155-S157 PolarHBondContact O-N 2.9Å; Q155-S157 VanDerWaalsContact O-N 3.09Å; S157-I159 PolarHBondContact O-N 3.11Å |
| 158 | K | 66.4 | Low | 85.8 | Confident | 197 Ų | 197 | 71.2 Ų | 71.2 | 86% | 0.857 | 38% | 0.376 | S | S | * | . | trans | -57 | 112.8 | 164.5 | -71.1 | -175.5 | 178.2 | -178.4 | 0 | 107.9 | V160 | K158-V160 PolarHBondContact O-N 3.22Å; K158-V160 VanDerWaalsContact O-N 3.12Å | ||
| 159 | I | 71.9 | Confident | 85.7 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | trans | -67.4 | 112.5 | 168.9 | -63.4 | 171.6 | 0 | 0 | 0 | 105.9 | S157 P161 V197 C304 V306 | S157-I159 PolarHBondContact O-N 3.11Å; I159-P161 WeakPolarHBondContact O-CD 3.43Å; I159-V197 HydrophobicContact CD1-CG2 3.47Å; I159-V197 VanDerWaalsContact CD1-CG2 3.47Å; I159-C304 HydrophobicContact CD1-CB 3.4Å; I159-C304 HydrophobicContact CG1-CB 4.18Å; I159-V306 HydrophobicContact CD1-CG1 3.32Å; I159-V306 HydrophobicContact CG1-CG1 4.06Å | ||
| 160 | V | 78.2 | Confident | 85.5 | Confident | 105 Ų | 105 | 71 Ų | 71 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | trans | -89.4 | 116.4 | 170 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | K158 T162 | K158-V160 PolarHBondContact O-N 3.22Å; K158-V160 VanDerWaalsContact O-N 3.12Å; V160-T162 PolarHBondContact O-N 3.34Å | ||
| 161 | P | 77.6 | Confident | 85.3 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 53% | 0.526 | 41% | 0.407 | S | S | . | . | trans | -52.4 | 136.2 | 172.9 | -25.7 | 34.8 | 0 | 0 | 0 | 109.6 | I159 P163 A193 | I159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-P163 VanDerWaalsContact C-CD 3.45Å; P161-P163 VanDerWaalsContact O-CD 3.27Å; P161-P163 WeakPolarHBondContact O-CD 3.34Å; P161-A193 HydrophobicContact CB-CB 4.21Å | ||
| 162 | T | 88.8 | Confident | 85.1 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | trans | -114.5 | 79.6 | 175.8 | 43.8 | 0 | 0 | 0 | 0 | 108.4 | V160 A193 T194 S195 | V160-T162 PolarHBondContact O-N 3.34Å; T162-A193 CarbonylContact O-C 3.53Å; T162-A193 WeakPolarHBondContact O-CA 3.3Å; T162-T194 WeakPolarHBondContact CB-OG1 3.12Å; T162-T194 PolarHBondContact O-N 2.88Å; T162-T194 PolarHBondContact O-OG1 2.84Å; T162-T194 PolarHBondContact OG1-N 2.81Å; T162-T194 PolarHBondContact OG1-OG1 3.34Å; T162-S195 PolarHBondContact OG1-N 3.35Å | ||
| 163 | P | 93.9 | Very high | 85.1 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | trans | -61.4 | 141.2 | 178.5 | -15.9 | 26.7 | 0 | 0 | 0 | 110.3 | P161 L191 D192 | P161-P163 VanDerWaalsContact C-CD 3.45Å; P161-P163 VanDerWaalsContact O-CD 3.27Å; P161-P163 WeakPolarHBondContact O-CD 3.34Å; P163-L191 VanDerWaalsContact CA-O 3.31Å; P163-L191 WeakPolarHBondContact CA-O 3.32Å; P163-D192 WeakPolarHBondContact CA-O 3.39Å; P163-D192 WeakPolarHBondContact CB-O 3.46Å; P163-D192 WeakPolarHBondContact CG-O 3.41Å | ||
| 164 | V | 96.5 | Very high | 85 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 24% | 0.242 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.8 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | H190 L191 T194 F299 | V164-H190 CarbonylContact O-C 3.53Å; V164-H190 WeakPolarHBondContact O-CA 3.33Å; V164-H190 VanDerWaalsContact O-CB 3.31Å; V164-H190 WeakPolarHBondContact O-CB 3.49Å; V164-L191 HydrophobicContact CG1-CB 3.81Å; V164-L191 HydrophobicContact CG1-CD1 4.08Å; V164-L191 HydrophobicContact CG1-CG 4.13Å; V164-L191 PolarHBondContact N-O 2.8Å; V164-L191 PolarHBondContact O-N 2.9Å; V164-T194 HydrophobicContact CB-CG2 4.15Å; V164-T194 HydrophobicContact CG1-CG2 3.55Å; V164-F299 HydrophobicContact CG1-CD1 4.03Å; V164-F299 HydrophobicContact CG1-CE1 4.33Å; V164-F299 HydrophobicContact CG2-CD1 4.28Å; V164-F299 HydrophobicContact CG2-CE1 4.22Å |
| 165 | K | 97.4 | Very high | 84.9 | Confident | 184 Ų | 184 | 85.1 Ų | 85.1 | 80% | 0.8 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142.7 | 168.7 | -65.2 | -176.1 | 177.5 | -177 | 0 | 108.6 | G189 H190 | K165-G189 WeakPolarHBondContact CA-O 3.43Å; K165-H190 HydrophobicContact CG-CB 4.04Å |
| 166 | F | 96.9 | Very high | 84.8 | Confident | 17 Ų | 17 | 84 Ų | 84 | 8% | 0.075 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.2 | 178.4 | 59 | -96.2 | 0 | 0 | 0 | 111.7 | I168 R188 G189 L191 V206 V285 F299 | F166-I168 HydrophobicContact CD2-CD1 4.21Å; F166-I168 HydrophobicContact CD2-CG1 4.06Å; F166-I168 HydrophobicContact CE2-CD1 4.37Å; F166-R188 WeakPolarHBondContact O-CA 3.44Å; F166-G189 VanDerWaalsContact CE1-C 3.43Å; F166-G189 VanDerWaalsContact CZ-CA 3.48Å; F166-G189 PolarHBondContact N-O 2.77Å; F166-G189 PolarHBondContact O-N 2.95Å; F166-G189 VanDerWaalsContact O-N 3.12Å; F166-L191 HydrophobicContact CE1-CG 4.44Å; F166-V206 HydrophobicContact CZ-CG2 4.1Å; F166-V285 HydrophobicContact CZ-CG2 4.43Å; F166-F299 HydrophobicContact CB-CE1 3.87Å; F166-F299 HydrophobicContact CB-CZ 3.63Å; F166-F299 AromaticContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE2 4.18Å; F166-F299 AromaticContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD1-CZ 3.41Å; F166-F299 VanDerWaalsContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD2-CZ 4.27Å; F166-F299 HydrophobicContact CE1-CE2 4.46Å; F166-F299 HydrophobicContact CE1-CZ 4.1Å; F166-F299 HydrophobicContact CG-CE1 4.14Å; F166-F299 HydrophobicContact CG-CE2 4.47Å; F166-F299 AromaticContact CG-CZ 3.52Å; F166-F299 HydrophobicContact CG-CZ 3.52Å |
| 167 | S | 97.2 | Very high | 85.1 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 114.4 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | T172 L186 I187 | S167-T172 PolarHBondContact O-OG1 2.96Å; S167-L186 WeakPolarHBondContact OG-CD1 3.33Å; S167-I187 CarbonylContact C-O 3.47Å; S167-I187 WeakPolarHBondContact CA-O 3.19Å |
| 168 | I | 96.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.5 | -177.1 | -39.4 | 170.5 | 0 | 0 | 0 | 108 | F166 T172 L173 F185 I187 I295 E297 | F166-I168 HydrophobicContact CD2-CD1 4.21Å; F166-I168 HydrophobicContact CD2-CG1 4.06Å; F166-I168 HydrophobicContact CE2-CD1 4.37Å; I168-T172 WeakPolarHBondContact CA-OG1 3.48Å; I168-L173 HydrophobicContact CG2-CD2 3.74Å; I168-L173 HydrophobicContact CG2-CG 4.32Å; I168-F185 HydrophobicContact CG2-CE2 4.1Å; I168-I187 HydrophobicContact CB-CB 4.26Å; I168-I187 HydrophobicContact CD1-CB 4.4Å; I168-I187 HydrophobicContact CD1-CG2 4.32Å; I168-I187 PolarHBondContact N-O 2.93Å; I168-I187 PolarHBondContact O-N 3.33Å; I168-I295 HydrophobicContact CG2-CG2 3.71Å; I168-E297 HydrophobicContact CD1-CB 3.59Å; I168-E297 HydrophobicContact CD1-CG 4.36Å; I168-E297 HydrophobicContact CG1-CB 4.01Å; I168-E297 HydrophobicContact CG1-CG 4.31Å |
| 169 | T | 95.3 | Very high | 86.4 | Confident | 26 Ų | 26 | 83 Ų | 83 | 16% | 0.16 | 42% | 0.421 | C | S | . | . | trans | -132.2 | 166.6 | 172.8 | 75.7 | 0 | 0 | 0 | 0 | 109 | E171 T172 L173 L186 | T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-E171 VanDerWaalsContact O-N 3.07Å; T169-E171 PolarHBondContact OG1-N 2.84Å; T169-E171 PolarHBondContact OG1-OE2 2.75Å; T169-T172 PolarHBondContact N-OG1 3.35Å; T169-T172 PolarHBondContact O-N 3.43Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å; T169-L173 PolarHBondContact O-N 2.77Å; T169-L186 HydrophobicContact CG2-CD1 3.75Å | ||
| 170 | P | 92.9 | Very high | 86.7 | Confident | 12 Ų | 12 | 86.7 Ų | 86.7 | 8% | 0.078 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -30 | 174.7 | -28.4 | 36.3 | 0 | 0 | 0 | 113.9 | R179 L182 P183 F185 | P170-R179 PolarHBondContact O-NH1 2.69Å; P170-L182 HydrophobicContact CB-CB 4.21Å; P170-L182 HydrophobicContact CB-CD1 4.09Å; P170-P183 WeakPolarHBondContact CG-O 3.47Å; P170-F185 HydrophobicContact CB-CE1 4.49Å; P170-F185 HydrophobicContact CB-CZ 4.48Å; P170-F185 HydrophobicContact CG-CD1 4.1Å; P170-F185 HydrophobicContact CG-CE1 3.71Å; P170-F185 HydrophobicContact CG-CE2 4.5Å; P170-F185 HydrophobicContact CG-CZ 3.92Å |
| 171 | E | 90.3 | Very high | 86.9 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.8 | 179.3 | -56.5 | 73.9 | -156.7 | 0 | 0 | 113.1 | T169 R179 | T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-E171 VanDerWaalsContact O-N 3.07Å; T169-E171 PolarHBondContact OG1-N 2.84Å; T169-E171 PolarHBondContact OG1-OE2 2.75Å; E171-R179 VanDerWaalsContact C-NH1 3.32Å; E171-R179 PolarHBondContact O-NH1 3.36Å |
| 172 | T | 89.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -21.1 | -178.5 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | S167 I168 T169 Q174 | S167-T172 PolarHBondContact O-OG1 2.96Å; I168-T172 WeakPolarHBondContact CA-OG1 3.48Å; T169-T172 PolarHBondContact N-OG1 3.35Å; T169-T172 PolarHBondContact O-N 3.43Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å; T172-Q174 PolarHBondContact O-N 2.86Å |
| 173 | L | 85.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 83.6 Ų | 83.6 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | trans | -56.8 | 139.2 | -179.9 | -76.8 | -177.8 | 0 | 0 | 0 | 112.2 | I168 T169 V176 R179 L182 F185 I295 | I168-L173 HydrophobicContact CG2-CD2 3.74Å; I168-L173 HydrophobicContact CG2-CG 4.32Å; T169-L173 PolarHBondContact O-N 2.77Å; L173-V176 HydrophobicContact CB-CG2 3.55Å; L173-V176 HydrophobicContact CD1-CG2 3.98Å; L173-V176 HydrophobicContact CG-CG2 4.43Å; L173-R179 PolarHBondContact O-NH1 3.03Å; L173-R179 PolarHBondContact O-NH2 2.81Å; L173-L182 HydrophobicContact CD1-CD1 3.86Å; L173-F185 HydrophobicContact CD1-CZ 3.72Å; L173-F185 HydrophobicContact CG-CZ 4.25Å; L173-I295 HydrophobicContact CD2-CG2 3.96Å | ||
| 174 | Q | 80.9 | Confident | 87.4 | Confident | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -96.2 | 155.6 | 175.1 | -59.7 | -174.4 | 9.9 | 0 | 0 | 110.5 | T172 V176 | T172-Q174 PolarHBondContact O-N 2.86Å; Q174-V176 VanDerWaalsContact C-N 3.27Å; Q174-V176 PolarHBondContact O-N 3.43Å |
| 175 | N | 77.4 | Confident | 87.4 | Confident | 163 Ų | 163 | 86.7 Ų | 86.7 | 87% | 0.872 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 60.4 | 22.1 | 175 | -55.9 | -43.6 | 0 | 0 | 0 | 116.9 | ||
| 176 | V | 78 | Confident | 87.4 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | trans | -84.1 | 122.3 | 175 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | L173 Q174 R179 L182 | L173-V176 HydrophobicContact CB-CG2 3.55Å; L173-V176 HydrophobicContact CD1-CG2 3.98Å; L173-V176 HydrophobicContact CG-CG2 4.43Å; Q174-V176 VanDerWaalsContact C-N 3.27Å; Q174-V176 PolarHBondContact O-N 3.43Å; V176-R179 HydrophobicContact CB-CG 3.81Å; V176-R179 HydrophobicContact CG1-CB 4.31Å; V176-R179 HydrophobicContact CG1-CG 3.61Å; V176-L182 HydrophobicContact CG1-CD1 3.78Å; V176-L182 HydrophobicContact CG1-CG 4.27Å; V176-L182 HydrophobicContact CG2-CD1 4.23Å | ||
| 177 | R | 72.7 | Confident | 87.4 | Confident | 249 Ų | 249 | 78.8 Ų | 78.8 | 94% | 0.94 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -74.2 | -40.1 | 178.2 | -66.5 | -175.8 | -178.5 | -176.1 | 1.1 | 113.2 | ||
| 178 | E | 78.1 | Confident | 87.5 | Confident | 111 Ų | 111 | 81.8 Ų | 81.8 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -130.4 | 69.2 | -172.8 | -66.1 | -175.7 | -171 | 0 | 0 | 112 | S180 Q181 | E178-S180 PolarHBondContact O-N 2.98Å; E178-S180 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact OE2-NE2 2.82Å; E178-Q181 PolarHBondContact OE2-OE1 2.7Å | ||
| 179 | R | 80.1 | Confident | 87.5 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -56.9 | -29.9 | -176.1 | -68.7 | 178.3 | -174.6 | -103.5 | 6.7 | 114.6 | P170 E171 L173 V176 Q181 L182 | P170-R179 PolarHBondContact O-NH1 2.69Å; E171-R179 VanDerWaalsContact C-NH1 3.32Å; E171-R179 PolarHBondContact O-NH1 3.36Å; L173-R179 PolarHBondContact O-NH1 3.03Å; L173-R179 PolarHBondContact O-NH2 2.81Å; V176-R179 HydrophobicContact CB-CG 3.81Å; V176-R179 HydrophobicContact CG1-CB 4.31Å; V176-R179 HydrophobicContact CG1-CG 3.61Å; R179-Q181 PolarHBondContact O-N 3.18Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 2.98Å |
| 180 | S | 77.1 | Confident | 87.7 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -68.9 | -16.2 | -179 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | E178 | E178-S180 PolarHBondContact O-N 2.98Å; E178-S180 VanDerWaalsContact O-N 3.12Å |
| 181 | Q | 82.3 | Confident | 87.9 | Confident | 130 Ų | 130 | 83.2 Ų | 83.2 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -94.3 | -7 | 176.9 | -66.4 | -177.5 | 15.6 | 0 | 0 | 112.7 | E178 R179 | E178-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact OE2-NE2 2.82Å; E178-Q181 PolarHBondContact OE2-OE1 2.7Å; R179-Q181 PolarHBondContact O-N 3.18Å |
| 182 | L | 85.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 79.8 Ų | 79.8 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -70 | 136.3 | 178.8 | -69.7 | 177.5 | 0 | 0 | 0 | 110.5 | P170 L173 V176 R179 | P170-L182 HydrophobicContact CB-CB 4.21Å; P170-L182 HydrophobicContact CB-CD1 4.09Å; L173-L182 HydrophobicContact CD1-CD1 3.86Å; V176-L182 HydrophobicContact CG1-CD1 3.78Å; V176-L182 HydrophobicContact CG1-CG 4.27Å; V176-L182 HydrophobicContact CG2-CD1 4.23Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 2.98Å |
| 183 | P | 90.8 | Very high | 88.5 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 10% | 0.104 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 155.4 | 169.2 | 26.9 | -32.9 | 0 | 0 | 0 | 110.1 | P170 F185 D212 V213 L289 | P170-P183 WeakPolarHBondContact CG-O 3.47Å; P183-F185 WeakPolarHBondContact O-CD1 3.13Å; P183-F185 WeakPolarHBondContact O-CE1 3.45Å; P183-D212 HydrophobicContact CB-CB 4.24Å; P183-V213 HydrophobicContact CB-CB 4.46Å; P183-V213 HydrophobicContact CB-CG2 3.64Å; P183-V213 HydrophobicContact CG-CG2 4.02Å; P183-L289 HydrophobicContact CB-CD1 4.49Å; P183-L289 HydrophobicContact CG-CD1 3.43Å; P183-L289 VanDerWaalsContact CG-CD1 3.43Å |
| 184 | R | 94.5 | Very high | 88.9 | Confident | 189 Ų | 189 | 78.9 Ų | 78.9 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 134.3 | 174.7 | -56.9 | 175 | 171.2 | 170 | -0.7 | 109.1 | S211 D212 | R184-S211 CarbonylContact O-C 3.45Å; R184-S211 WeakPolarHBondContact O-CA 3.49Å; R184-D212 WeakPolarHBondContact CB-OD2 3.41Å; R184-D212 WeakPolarHBondContact CG-OD2 3.26Å; R184-D212 PolarHBondContact N-OD2 2.96Å; R184-D212 VanDerWaalsContact N-OD2 3.16Å; R184-D212 PolarHBondContact O-N 2.84Å |
| 185 | F | 95.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.6 | 172.9 | 56.2 | -95.3 | 0 | 0 | 0 | 110 | I168 P170 L173 P183 I187 K210 I295 | I168-F185 HydrophobicContact CG2-CE2 4.1Å; P170-F185 HydrophobicContact CB-CE1 4.49Å; P170-F185 HydrophobicContact CB-CZ 4.48Å; P170-F185 HydrophobicContact CG-CD1 4.1Å; P170-F185 HydrophobicContact CG-CE1 3.71Å; P170-F185 HydrophobicContact CG-CE2 4.5Å; P170-F185 HydrophobicContact CG-CZ 3.92Å; L173-F185 HydrophobicContact CD1-CZ 3.72Å; L173-F185 HydrophobicContact CG-CZ 4.25Å; P183-F185 WeakPolarHBondContact O-CD1 3.13Å; P183-F185 WeakPolarHBondContact O-CE1 3.45Å; F185-I187 HydrophobicContact CD2-CD1 4.28Å; F185-I187 HydrophobicContact CD2-CG1 4.23Å; F185-K210 CarbonylContact C-O 3.55Å; F185-K210 WeakPolarHBondContact CA-O 3.04Å; F185-I295 HydrophobicContact CD1-CD1 3.59Å; F185-I295 HydrophobicContact CD2-CD1 3.82Å; F185-I295 HydrophobicContact CE1-CD1 3.57Å; F185-I295 HydrophobicContact CE1-CG1 4.01Å; F185-I295 HydrophobicContact CE2-CD1 3.79Å; F185-I295 HydrophobicContact CE2-CG1 4.32Å; F185-I295 HydrophobicContact CE2-CG2 4.01Å; F185-I295 HydrophobicContact CG-CD1 3.73Å; F185-I295 HydrophobicContact CZ-CD1 3.68Å; F185-I295 HydrophobicContact CZ-CG1 3.92Å; F185-I295 HydrophobicContact CZ-CG2 4.22Å |
| 186 | L | 97.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 111.6 | 170.6 | 174.5 | 61.7 | 0 | 0 | 0 | 107.7 | S167 T169 R188 D209 K210 | S167-L186 WeakPolarHBondContact OG-CD1 3.33Å; T169-L186 HydrophobicContact CG2-CD1 3.75Å; L186-R188 HydrophobicContact CD1-CG 3.98Å; L186-R188 HydrophobicContact CG-CG 4.36Å; L186-D209 HydrophobicContact CB-CB 4.3Å; L186-D209 HydrophobicContact CD2-CB 3.96Å; L186-D209 HydrophobicContact CG-CB 4.03Å; L186-D209 PolarHBondContact O-N 3.39Å; L186-K210 HydrophobicContact CB-CB 4.12Å; L186-K210 PolarHBondContact N-O 2.9Å; L186-K210 PolarHBondContact O-N 3.14Å |
| 187 | I | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.1 | 178.8 | -52.6 | 178.9 | 0 | 0 | 0 | 106.8 | S167 I168 F185 V206 Q207 V208 V287 I295 | S167-I187 CarbonylContact C-O 3.47Å; S167-I187 WeakPolarHBondContact CA-O 3.19Å; I168-I187 HydrophobicContact CB-CB 4.26Å; I168-I187 HydrophobicContact CD1-CB 4.4Å; I168-I187 HydrophobicContact CD1-CG2 4.32Å; I168-I187 PolarHBondContact N-O 2.93Å; I168-I187 PolarHBondContact O-N 3.33Å; F185-I187 HydrophobicContact CD2-CD1 4.28Å; F185-I187 HydrophobicContact CD2-CG1 4.23Å; I187-V206 HydrophobicContact CG2-CG1 3.94Å; I187-Q207 CarbonylContact C-O 3.47Å; I187-Q207 WeakPolarHBondContact CA-O 3.38Å; I187-V208 HydrophobicContact CG1-CG2 4.45Å; I187-V287 HydrophobicContact CD1-CB 3.86Å; I187-V287 HydrophobicContact CD1-CG1 3.77Å; I187-V287 HydrophobicContact CD1-CG2 3.71Å; I187-I295 HydrophobicContact CD1-CD1 4.15Å; I187-I295 HydrophobicContact CD1-CG2 4.46Å |
| 188 | R | 98 | Very high | 91.8 | Very high | 119 Ų | 119 | 52.9 Ų | 52.9 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160.8 | -178.7 | -74.2 | -172.3 | -79.6 | -178.7 | -0 | 109.8 | F166 L186 Q207 D209 | F166-R188 WeakPolarHBondContact O-CA 3.44Å; L186-R188 HydrophobicContact CD1-CG 3.98Å; L186-R188 HydrophobicContact CG-CG 4.36Å; R188-Q207 PolarHBondContact N-O 2.77Å; R188-Q207 PolarHBondContact O-N 2.84Å; R188-Q207 VanDerWaalsContact O-O 3.12Å; R188-D209 IonicContact CZ-OD2 2.62Å; R188-D209 IonicContact NE-OD2 3.87Å; R188-D209 PolarHBondContact NE-OD2 2.77Å; R188-D209 VanDerWaalsContact NH2-CG 3.35Å; R188-D209 IonicContact NH2-OD1 2.79Å; R188-D209 IonicContact NH2-OD2 3.02Å; R188-D209 PolarHBondContact NH2-OD2 3.46Å |
| 189 | G | 97.7 | Very high | 92.4 | Very high | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -171.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K165 F166 E205 | K165-G189 WeakPolarHBondContact CA-O 3.43Å; F166-G189 VanDerWaalsContact CE1-C 3.43Å; F166-G189 VanDerWaalsContact CZ-CA 3.48Å; F166-G189 PolarHBondContact N-O 2.77Å; F166-G189 PolarHBondContact O-N 2.95Å; F166-G189 VanDerWaalsContact O-N 3.12Å; G189-E205 CarbonylContact C-O 3.52Å; G189-E205 WeakPolarHBondContact CA-O 3.49Å |
| 190 | H | 98.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 154.1 | 172 | 66.4 | -69.1 | 0 | 0 | 0 | 111.3 | V164 K165 D192 G204 E205 | V164-H190 CarbonylContact O-C 3.53Å; V164-H190 WeakPolarHBondContact O-CA 3.33Å; V164-H190 VanDerWaalsContact O-CB 3.31Å; V164-H190 WeakPolarHBondContact O-CB 3.49Å; K165-H190 HydrophobicContact CG-CB 4.04Å; H190-D192 IonicContact CD2-OD1 2.84Å; H190-D192 PolarHBondContact CD2-OD1 2.9Å; H190-D192 IonicContact NE2-OD1 2.71Å; H190-D192 PolarHBondContact NE2-OD1 2.8Å; H190-G204 CarbonylContact O-C 3.57Å; H190-G204 WeakPolarHBondContact O-CA 3.36Å; H190-E205 IonicContact CE1-OE2 3Å; H190-E205 PolarHBondContact N-O 3.44Å; H190-E205 PolarHBondContact O-N 2.87Å |
| 191 | L | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.6 | 160 | -53.7 | 174.1 | 0 | 0 | 0 | 107.6 | P163 V164 F166 A193 L202 V259 I283 F299 | P163-L191 VanDerWaalsContact CA-O 3.31Å; P163-L191 WeakPolarHBondContact CA-O 3.32Å; V164-L191 HydrophobicContact CG1-CB 3.81Å; V164-L191 HydrophobicContact CG1-CD1 4.08Å; V164-L191 HydrophobicContact CG1-CG 4.13Å; V164-L191 PolarHBondContact N-O 2.8Å; V164-L191 PolarHBondContact O-N 2.9Å; F166-L191 HydrophobicContact CE1-CG 4.44Å; L191-A193 PolarHBondContact O-N 3.4Å; L191-L202 HydrophobicContact CD2-CD2 4.36Å; L191-V259 HydrophobicContact CD2-CG1 4.38Å; L191-I283 HydrophobicContact CD1-CG2 3.67Å; L191-F299 HydrophobicContact CD1-CB 4.01Å; L191-F299 HydrophobicContact CD1-CD1 4.42Å; L191-F299 HydrophobicContact CD1-CD2 3.96Å; L191-F299 HydrophobicContact CD1-CG 3.86Å |
| 192 | D | 96.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67.1 | -27.3 | -178.4 | -70.3 | -28.6 | 0 | 0 | 0 | 112.3 | P163 H190 T203 | P163-D192 WeakPolarHBondContact CA-O 3.39Å; P163-D192 WeakPolarHBondContact CB-O 3.46Å; P163-D192 WeakPolarHBondContact CG-O 3.41Å; H190-D192 IonicContact CD2-OD1 2.84Å; H190-D192 PolarHBondContact CD2-OD1 2.9Å; H190-D192 IonicContact NE2-OD1 2.71Å; H190-D192 PolarHBondContact NE2-OD1 2.8Å; D192-T203 PolarHBondContact N-O 2.84Å; D192-T203 WeakPolarHBondContact OD2-CB 3.2Å; D192-T203 PolarHBondContact OD2-OG1 2.88Å |
| 193 | A | 94.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -155 | 144.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P161 T162 L191 C196 | P161-A193 HydrophobicContact CB-CB 4.21Å; T162-A193 CarbonylContact O-C 3.53Å; T162-A193 WeakPolarHBondContact O-CA 3.3Å; L191-A193 PolarHBondContact O-N 3.4Å; A193-C196 PolarHBondContact O-SG 2.87Å | ||
| 194 | T | 94 | Very high | 95.6 | Very high | 35 Ų | 35 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -99.2 | -19.5 | 161.2 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | T162 V164 L301 K302 | T162-T194 WeakPolarHBondContact CB-OG1 3.12Å; T162-T194 PolarHBondContact O-N 2.88Å; T162-T194 PolarHBondContact O-OG1 2.84Å; T162-T194 PolarHBondContact OG1-N 2.81Å; T162-T194 PolarHBondContact OG1-OG1 3.34Å; V164-T194 HydrophobicContact CB-CG2 4.15Å; V164-T194 HydrophobicContact CG1-CG2 3.55Å; T194-L301 CarbonylContact O-C 3.45Å; T194-L301 WeakPolarHBondContact O-CA 3.38Å; T194-K302 PolarHBondContact O-N 3.35Å |
| 195 | S | 93.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 38 Ų | 38 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 102.7 | 165.7 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | T162 K302 | T162-S195 PolarHBondContact OG1-N 3.35Å; S195-K302 CarbonylContact C-O 3.41Å; S195-K302 WeakPolarHBondContact CA-O 3.18Å |
| 196 | C | 92.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.2 | -168.9 | -56 | 0 | 0 | 0 | 0 | 112.5 | A193 F263 K302 L303 C304 | A193-C196 PolarHBondContact O-SG 2.87Å; C196-F263 HydrophobicContact CB-CE2 3.8Å; C196-F263 HydrophobicContact CB-CZ 3.89Å; C196-K302 PolarHBondContact N-O 3.4Å; C196-L303 HydrophobicContact CB-CD2 3.83Å; C196-L303 CarbonylContact O-C 3.46Å; C196-L303 WeakPolarHBondContact O-CA 3.44Å; C196-C304 PolarHBondContact O-N 2.91Å |
| 197 | V | 92.3 | Very high | 96 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.2 | 166.1 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | I159 S199 Q200 C304 V306 | I159-V197 HydrophobicContact CD1-CG2 3.47Å; I159-V197 VanDerWaalsContact CD1-CG2 3.47Å; V197-S199 VanDerWaalsContact CG1-OG 3.29Å; V197-S199 WeakPolarHBondContact CG1-OG 3.34Å; V197-S199 PolarHBondContact O-N 2.79Å; V197-S199 VanDerWaalsContact O-N 3.11Å; V197-Q200 HydrophobicContact CB-CB 4.2Å; V197-Q200 HydrophobicContact CB-CG 4.1Å; V197-Q200 HydrophobicContact CG1-CG 4.11Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-O 3.07Å; V197-C304 WeakPolarHBondContact CA-O 3.49Å; V197-V306 HydrophobicContact CB-CG2 4.43Å; V197-V306 HydrophobicContact CG1-CG2 3.7Å; V197-V306 HydrophobicContact CG2-CG1 4.33Å; V197-V306 HydrophobicContact CG2-CG2 3.77Å |
| 198 | I | 91.6 | Very high | 96 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.7 | -175.6 | -69.4 | 163.2 | 0 | 0 | 0 | 113.2 | Q200 C269 P270 L303 C304 | I198-Q200 PolarHBondContact O-N 2.84Å; I198-C269 WeakPolarHBondContact CD1-O 3.27Å; I198-P270 HydrophobicContact CD1-CB 4.22Å; I198-P270 VanDerWaalsContact CD1-CD 3.43Å; I198-P270 HydrophobicContact CD1-CG 3.64Å; I198-L303 HydrophobicContact CD1-CB 4.05Å; I198-L303 HydrophobicContact CG1-CB 3.72Å; I198-L303 HydrophobicContact CG1-CD1 4.24Å; I198-L303 HydrophobicContact CG1-CG 4.45Å; I198-C304 WeakPolarHBondContact CG1-O 3.46Å; I198-C304 PolarHBondContact N-O 3.23Å |
| 199 | S | 91.2 | Very high | 96 | Very high | 92 Ų | 92 | 33.9 Ų | 33.9 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.7 | 178.8 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | V197 | V197-S199 VanDerWaalsContact CG1-OG 3.29Å; V197-S199 WeakPolarHBondContact CG1-OG 3.34Å; V197-S199 PolarHBondContact O-N 2.79Å; V197-S199 VanDerWaalsContact O-N 3.11Å |
| 200 | Q | 94 | Very high | 95.9 | Very high | 114 Ų | 114 | 39.9 Ų | 39.9 | 53% | 0.533 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -111 | 148.3 | 178.3 | -65.4 | -177.8 | -8.9 | 0 | 0 | 109.9 | V197 I198 F263 | V197-Q200 HydrophobicContact CB-CB 4.2Å; V197-Q200 HydrophobicContact CB-CG 4.1Å; V197-Q200 HydrophobicContact CG1-CG 4.11Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-O 3.07Å; I198-Q200 PolarHBondContact O-N 2.84Å; Q200-F263 WeakPolarHBondContact O-CD2 3.31Å; Q200-F263 VanDerWaalsContact O-CE2 3.31Å; Q200-F263 WeakPolarHBondContact O-CE2 3.47Å |
| 201 | P | 96.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | trans | -68.9 | 149.8 | 176.6 | 29.9 | -34.6 | 0 | 0 | 0 | 111.3 | T203 H260 M261 V262 | P201-T203 HydrophobicContact CB-CG2 4.46Å; P201-T203 HydrophobicContact CG-CG2 4.17Å; P201-H260 WeakPolarHBondContact CG-NE2 3.25Å; P201-M261 CarbonylContact C-O 3.48Å; P201-M261 WeakPolarHBondContact CA-O 3.32Å; P201-V262 HydrophobicContact CB-CG2 4.26Å | ||
| 202 | L | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129 | 159.7 | 178.2 | 71.7 | 0 | 0 | 0 | 108.5 | L191 V259 H260 M261 F263 I283 L301 | L191-L202 HydrophobicContact CD2-CD2 4.36Å; L202-V259 HydrophobicContact CD2-CG1 4.41Å; L202-V259 HydrophobicContact CG-CG1 4.33Å; L202-H260 CarbonylContact O-C 3.58Å; L202-H260 VanDerWaalsContact O-CA 3.29Å; L202-H260 WeakPolarHBondContact O-CA 3.12Å; L202-M261 HydrophobicContact CB-CB 4.32Å; L202-M261 PolarHBondContact N-O 2.75Å; L202-M261 PolarHBondContact O-N 2.62Å; L202-F263 HydrophobicContact CB-CE1 4.43Å; L202-F263 HydrophobicContact CB-CE2 4.47Å; L202-F263 HydrophobicContact CB-CZ 3.87Å; L202-I283 HydrophobicContact CD2-CB 4.14Å; L202-I283 HydrophobicContact CD2-CD1 3.96Å; L202-I283 HydrophobicContact CD2-CG1 3.74Å; L202-I283 HydrophobicContact CD2-CG2 4.07Å; L202-L301 HydrophobicContact CD1-CD2 4.46Å |
| 203 | T | 98.1 | Very high | 95.8 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 161 | 180 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | D192 P201 V259 | D192-T203 PolarHBondContact N-O 2.84Å; D192-T203 WeakPolarHBondContact OD2-CB 3.2Å; D192-T203 PolarHBondContact OD2-OG1 2.88Å; P201-T203 HydrophobicContact CB-CG2 4.46Å; P201-T203 HydrophobicContact CG-CG2 4.17Å; T203-V259 VanDerWaalsContact CA-O 3.3Å; T203-V259 WeakPolarHBondContact CA-O 3.19Å |
| 204 | G | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -161.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H190 V259 | H190-G204 CarbonylContact O-C 3.57Å; H190-G204 WeakPolarHBondContact O-CA 3.36Å; G204-V259 PolarHBondContact N-O 2.66Å; G204-V259 PolarHBondContact O-N 2.87Å |
| 205 | E | 98.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.8 | 178.7 | -64.4 | 179.7 | 161.2 | 0 | 0 | 111.5 | G189 H190 I257 | G189-E205 CarbonylContact C-O 3.52Å; G189-E205 WeakPolarHBondContact CA-O 3.49Å; H190-E205 IonicContact CE1-OE2 3Å; H190-E205 PolarHBondContact N-O 3.44Å; H190-E205 PolarHBondContact O-N 2.87Å; E205-I257 CarbonylContact C-O 3.49Å; E205-I257 WeakPolarHBondContact CA-O 3.49Å |
| 206 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138 | 169.2 | -178 | 0 | 0 | 0 | 0 | 108.2 | F166 I187 I218 I246 I257 V259 V285 | F166-V206 HydrophobicContact CZ-CG2 4.1Å; I187-V206 HydrophobicContact CG2-CG1 3.94Å; V206-I218 HydrophobicContact CG1-CD1 4.44Å; V206-I218 HydrophobicContact CG1-CG2 4.24Å; V206-I246 HydrophobicContact CB-CD1 4.43Å; V206-I246 HydrophobicContact CG2-CD1 4.06Å; V206-I257 PolarHBondContact N-O 2.86Å; V206-I257 WeakPolarHBondContact O-CA 3.39Å; V206-I257 VanDerWaalsContact O-CB 3.31Å; V206-I257 WeakPolarHBondContact O-CB 3.41Å; V206-I257 PolarHBondContact O-N 3.29Å; V206-V259 HydrophobicContact CG2-CG2 3.84Å; V206-V285 HydrophobicContact CG1-CG1 4.41Å; V206-V285 HydrophobicContact CG2-CG1 4.09Å |
| 207 | Q | 98.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 130.5 | -179.8 | 177.7 | 173.9 | -38.5 | 0 | 0 | 109.6 | I187 R188 D209 | I187-Q207 CarbonylContact C-O 3.47Å; I187-Q207 WeakPolarHBondContact CA-O 3.38Å; R188-Q207 PolarHBondContact N-O 2.77Å; R188-Q207 PolarHBondContact O-N 2.84Å; R188-Q207 VanDerWaalsContact O-O 3.12Å; Q207-D209 PolarHBondContact NE2-OD1 2.81Å |
| 208 | V | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.6 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | I187 I215 I218 V251 H253 G254 | I187-V208 HydrophobicContact CG1-CG2 4.45Å; V208-I215 HydrophobicContact CG1-CD1 4.26Å; V208-I215 HydrophobicContact CG1-CG1 4.26Å; V208-I215 HydrophobicContact CG2-CD1 4.34Å; V208-I215 HydrophobicContact CG2-CG1 4.16Å; V208-I218 HydrophobicContact CG2-CD1 3.86Å; V208-V251 HydrophobicContact CB-CG2 3.96Å; V208-V251 HydrophobicContact CG2-CG2 3.7Å; V208-H253 CarbonylContact O-C 3.52Å; V208-H253 WeakPolarHBondContact O-CA 3.49Å; V208-G254 PolarHBondContact O-N 3.28Å |
| 209 | D | 97.7 | Very high | 97.2 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -36.8 | 177.4 | -72.7 | -46.3 | 0 | 0 | 0 | 112.7 | L186 R188 Q207 | L186-D209 HydrophobicContact CB-CB 4.3Å; L186-D209 HydrophobicContact CD2-CB 3.96Å; L186-D209 HydrophobicContact CG-CB 4.03Å; L186-D209 PolarHBondContact O-N 3.39Å; R188-D209 IonicContact CZ-OD2 2.62Å; R188-D209 IonicContact NE-OD2 3.87Å; R188-D209 PolarHBondContact NE-OD2 2.77Å; R188-D209 VanDerWaalsContact NH2-CG 3.35Å; R188-D209 IonicContact NH2-OD1 2.79Å; R188-D209 IonicContact NH2-OD2 3.02Å; R188-D209 PolarHBondContact NH2-OD2 3.46Å; Q207-D209 PolarHBondContact NE2-OD1 2.81Å |
| 210 | K | 97 | Very high | 97.5 | Very high | 141 Ų | 141 | 40.5 Ų | 40.5 | 61% | 0.613 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.1 | 178.8 | -60.6 | -175.5 | -179.9 | 180 | 0 | 108.7 | F185 L186 | F185-K210 CarbonylContact C-O 3.55Å; F185-K210 WeakPolarHBondContact CA-O 3.04Å; L186-K210 HydrophobicContact CB-CB 4.12Å; L186-K210 PolarHBondContact N-O 2.9Å; L186-K210 PolarHBondContact O-N 3.14Å |
| 211 | S | 96.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 37 Ų | 37 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 128.4 | 167.1 | -161.5 | 0 | 0 | 0 | 0 | 108 | R184 V213 | R184-S211 CarbonylContact O-C 3.45Å; R184-S211 WeakPolarHBondContact O-CA 3.49Å; S211-V213 VanDerWaalsContact C-N 3.26Å; S211-V213 VanDerWaalsContact CB-O 3.3Å; S211-V213 WeakPolarHBondContact CB-O 2.95Å; S211-V213 PolarHBondContact OG-O 2.78Å |
| 212 | D | 96.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 34.7 Ų | 34.7 | 58% | 0.583 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -73.5 | -24.7 | 173.8 | -74 | -8.3 | 0 | 0 | 0 | 111.2 | P183 R184 | P183-D212 HydrophobicContact CB-CB 4.24Å; R184-D212 WeakPolarHBondContact CB-OD2 3.41Å; R184-D212 WeakPolarHBondContact CG-OD2 3.26Å; R184-D212 PolarHBondContact N-OD2 2.96Å; R184-D212 VanDerWaalsContact N-OD2 3.16Å; R184-D212 PolarHBondContact O-N 2.84Å |
| 213 | V | 96.9 | Very high | 97.9 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 15% | 0.152 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -115.3 | 133.4 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | P183 S211 L289 Q290 D291 | P183-V213 HydrophobicContact CB-CB 4.46Å; P183-V213 HydrophobicContact CB-CG2 3.64Å; P183-V213 HydrophobicContact CG-CG2 4.02Å; S211-V213 VanDerWaalsContact C-N 3.26Å; S211-V213 VanDerWaalsContact CB-O 3.3Å; S211-V213 WeakPolarHBondContact CB-O 2.95Å; S211-V213 PolarHBondContact OG-O 2.78Å; V213-L289 HydrophobicContact CB-CB 4.3Å; V213-L289 HydrophobicContact CB-CD1 4.11Å; V213-L289 HydrophobicContact CG1-CB 3.89Å; V213-Q290 HydrophobicContact CG1-CB 4.39Å; V213-D291 HydrophobicContact CG1-CB 4.14Å |
| 214 | P | 97.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 31% | 0.305 | 17% | 0.167 | S | C | . | . | trans | -56.6 | 146.1 | 178.8 | -26.6 | 35.3 | 0 | 0 | 0 | 113 | D250 Q290 | P214-D250 VanDerWaalsContact CA-OD1 3.3Å; P214-D250 WeakPolarHBondContact CA-OD1 3.34Å; P214-D250 HydrophobicContact CB-CB 3.96Å; P214-Q290 HydrophobicContact CB-CG 4.04Å; P214-Q290 WeakPolarHBondContact O-CG 3.14Å; P214-Q290 PolarHBondContact O-N 3.5Å | ||
| 215 | I | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 140.3 | 175.7 | -52 | -55.4 | 0 | 0 | 0 | 109.7 | V208 I218 G249 D250 V251 V287 L289 | V208-I215 HydrophobicContact CG1-CD1 4.26Å; V208-I215 HydrophobicContact CG1-CG1 4.26Å; V208-I215 HydrophobicContact CG2-CD1 4.34Å; V208-I215 HydrophobicContact CG2-CG1 4.16Å; I215-I218 HydrophobicContact CG2-CD1 4.44Å; I215-I218 HydrophobicContact CG2-CG1 3.86Å; I215-G249 CarbonylContact O-C 3.56Å; I215-D250 PolarHBondContact N-OD1 2.86Å; I215-D250 WeakPolarHBondContact O-CA 3.41Å; I215-D250 PolarHBondContact O-N 3.15Å; I215-D250 VanDerWaalsContact O-N 3.15Å; I215-V251 HydrophobicContact CB-CG2 4.46Å; I215-V251 HydrophobicContact CG1-CG2 4.1Å; I215-V287 HydrophobicContact CD1-CG1 3.81Å; I215-V287 HydrophobicContact CG2-CG1 4.17Å; I215-L289 HydrophobicContact CD1-CD2 3.42Å; I215-L289 VanDerWaalsContact CD1-CD2 3.42Å |
| 216 | K | 98.2 | Very high | 97.5 | Very high | 99 Ų | 99 | 29.2 Ų | 29.2 | 43% | 0.43 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -51.8 | 172.6 | -174.1 | -175.3 | -172.2 | 176.6 | 0 | 110.4 | G249 I288 Q290 D292 | K216-G249 PolarHBondContact O-N 3.05Å; K216-I288 WeakPolarHBondContact CA-O 3.45Å; K216-I288 HydrophobicContact CB-CB 4.38Å; K216-I288 HydrophobicContact CB-CG2 4.31Å; K216-I288 VanDerWaalsContact CB-O 3.27Å; K216-I288 WeakPolarHBondContact CB-O 3.48Å; K216-I288 HydrophobicContact CD-CG2 3.81Å; K216-I288 PolarHBondContact N-O 2.84Å; K216-Q290 HydrophobicContact CB-CG 4.24Å; K216-D292 IonicContact NZ-OD1 2.92Å; K216-D292 PolarHBondContact NZ-OD1 3.49Å |
| 217 | S | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.3 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | E219 A247 I288 | S217-E219 PolarHBondContact OG-OE1 2.86Å; S217-A247 WeakPolarHBondContact CA-O 3.3Å; S217-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact O-N 3.22Å; S217-I288 WeakPolarHBondContact OG-CD1 3.13Å |
| 218 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.5 | 165.1 | -52.5 | -175.8 | 0 | 0 | 0 | 107.3 | V206 V208 I215 I246 A247 V251 I257 V286 V287 | V206-I218 HydrophobicContact CG1-CD1 4.44Å; V206-I218 HydrophobicContact CG1-CG2 4.24Å; V208-I218 HydrophobicContact CG2-CD1 3.86Å; I215-I218 HydrophobicContact CG2-CD1 4.44Å; I215-I218 HydrophobicContact CG2-CG1 3.86Å; I218-I246 HydrophobicContact CB-CG1 4.05Å; I218-I246 HydrophobicContact CG2-CD1 3.84Å; I218-I246 HydrophobicContact CG2-CG1 3.76Å; I218-I246 WeakPolarHBondContact O-CG1 3.26Å; I218-I246 PolarHBondContact O-N 2.82Å; I218-A247 HydrophobicContact CB-CB 4.1Å; I218-A247 HydrophobicContact CD1-CB 4.31Å; I218-A247 HydrophobicContact CG1-CB 4.19Å; I218-A247 PolarHBondContact N-O 2.96Å; I218-A247 PolarHBondContact O-N 3.41Å; I218-V251 HydrophobicContact CD1-CG1 4.47Å; I218-V251 HydrophobicContact CD1-CG2 4.24Å; I218-I257 HydrophobicContact CD1-CD1 3.65Å; I218-V286 CarbonylContact C-O 3.57Å; I218-V286 WeakPolarHBondContact CA-O 3.27Å; I218-V287 HydrophobicContact CG1-CG1 4.4Å; I218-V287 HydrophobicContact CG1-CG2 4.16Å; I218-V287 HydrophobicContact CG2-CG2 4.01Å |
| 219 | E | 98.4 | Very high | 96 | Very high | 29 Ų | 29 | 28 Ų | 28 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.2 | -172.2 | -66.2 | 169.8 | -148.4 | 0 | 0 | 111.1 | S217 N243 I244 Q245 V286 I288 | S217-E219 PolarHBondContact OG-OE1 2.86Å; E219-N243 PolarHBondContact OE2-ND2 3.5Å; E219-I244 CarbonylContact C-O 3.58Å; E219-I244 VanDerWaalsContact CA-O 3.28Å; E219-I244 WeakPolarHBondContact CA-O 3.4Å; E219-Q245 HydrophobicContact CG-CB 4.18Å; E219-Q245 HydrophobicContact CG-CG 4.22Å; E219-V286 HydrophobicContact CB-CB 4.23Å; E219-V286 PolarHBondContact N-O 3.31Å; E219-V286 PolarHBondContact O-N 3.2Å; E219-I288 WeakPolarHBondContact OE1-CD1 3.18Å |
| 220 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.6 | 172 | -63.1 | 176.8 | 0 | 0 | 0 | 108.6 | N243 I244 I246 V259 M261 I283 N284 V285 | L220-N243 WeakPolarHBondContact O-CA 3.08Å; L220-I244 HydrophobicContact CB-CD1 4.46Å; L220-I244 HydrophobicContact CB-CG1 3.87Å; L220-I244 HydrophobicContact CD1-CD1 4.19Å; L220-I244 HydrophobicContact CD1-CG1 4.36Å; L220-I244 PolarHBondContact N-O 2.95Å; L220-I244 PolarHBondContact O-N 2.92Å; L220-I246 HydrophobicContact CD1-CD1 4.23Å; L220-I246 HydrophobicContact CD1-CG2 3.73Å; L220-I246 HydrophobicContact CD2-CD1 4.41Å; L220-I246 HydrophobicContact CG-CD1 4.11Å; L220-I246 HydrophobicContact CG-CG2 4.03Å; L220-V259 HydrophobicContact CD1-CB 4.25Å; L220-V259 HydrophobicContact CD1-CG1 3.58Å; L220-V259 HydrophobicContact CD1-CG2 4.07Å; L220-M261 HydrophobicContact CB-CE 3.44Å; L220-M261 VanDerWaalsContact CB-CE 3.44Å; L220-M261 HydrophobicContact CD1-CE 4.46Å; L220-M261 WeakPolarHBondContact O-CE 3.29Å; L220-I283 HydrophobicContact CB-CD1 4.28Å; L220-N284 WeakPolarHBondContact CA-O 3.31Å; L220-V285 HydrophobicContact CD2-CB 4.4Å; L220-V285 HydrophobicContact CD2-CG2 3.79Å |
| 221 | Q | 98.2 | Very high | 93.8 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.8 | 175.9 | -61.9 | 171.4 | -37.7 | 0 | 0 | 109.8 | V223 E240 Q242 N243 I283 N284 V286 | Q221-V223 HydrophobicContact CB-CG2 4.32Å; Q221-V223 PolarHBondContact O-N 3.26Å; Q221-E240 HydrophobicContact CB-CG 4.33Å; Q221-E240 VanDerWaalsContact CD-OE2 3.29Å; Q221-E240 PolarHBondContact NE2-OE2 2.83Å; Q221-Q242 CarbonylContact C-O 3.52Å; Q221-Q242 WeakPolarHBondContact CA-O 3.28Å; Q221-N243 HydrophobicContact CG-CB 4.31Å; Q221-N243 WeakPolarHBondContact CG-ND2 3.35Å; Q221-I283 WeakPolarHBondContact O-CA 3.48Å; Q221-I283 WeakPolarHBondContact O-CD1 3.5Å; Q221-N284 HydrophobicContact CB-CB 4.16Å; Q221-N284 PolarHBondContact N-O 2.99Å; Q221-N284 PolarHBondContact O-N 3.48Å; Q221-V286 HydrophobicContact CG-CG2 4.12Å |
| 222 | L | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.6 | 166 | -176.1 | 64.3 | 0 | 0 | 0 | 108.2 | I241 Q242 M261 F263 P264 T268 I283 L301 | L222-I241 HydrophobicContact CB-CG1 4.1Å; L222-I241 HydrophobicContact CD2-CD1 3.5Å; L222-I241 VanDerWaalsContact CD2-CD1 3.5Å; L222-I241 HydrophobicContact CD2-CG1 3.82Å; L222-I241 HydrophobicContact CG-CD1 3.73Å; L222-I241 HydrophobicContact CG-CG1 3.7Å; L222-I241 VanDerWaalsContact O-CG1 3.26Å; L222-I241 WeakPolarHBondContact O-CG1 3.31Å; L222-I241 PolarHBondContact O-N 2.82Å; L222-Q242 HydrophobicContact CB-CB 4.12Å; L222-Q242 PolarHBondContact N-O 3Å; L222-Q242 PolarHBondContact O-N 2.87Å; L222-M261 HydrophobicContact CB-SD 3.84Å; L222-F263 HydrophobicContact CD1-CD1 4.28Å; L222-F263 HydrophobicContact CD1-CE1 4.11Å; L222-F263 HydrophobicContact CD2-CD1 3.9Å; L222-P264 HydrophobicContact CD2-CG 4.29Å; L222-T268 HydrophobicContact CD2-CG2 3.82Å; L222-I283 HydrophobicContact CB-CD1 4.37Å; L222-L301 HydrophobicContact CD1-CD1 4.11Å |
| 223 | V | 97.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | Q221 V225 A238 F281 E282 | Q221-V223 HydrophobicContact CB-CG2 4.32Å; Q221-V223 PolarHBondContact O-N 3.26Å; V223-V225 HydrophobicContact CG1-CG2 4.28Å; V223-A238 HydrophobicContact CG1-CB 3.88Å; V223-F281 CarbonylContact O-C 3.57Å; V223-F281 VanDerWaalsContact O-CA 3.32Å; V223-F281 WeakPolarHBondContact O-CA 3.44Å; V223-E282 HydrophobicContact CB-CB 4.38Å; V223-E282 PolarHBondContact N-O 2.82Å; V223-E282 PolarHBondContact O-N 2.88Å |
| 224 | R | 96.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.4 | 172.6 | -174.4 | 179.5 | 80.7 | 179.7 | -1.1 | 108.8 | Y118 H119 E226 A238 T239 I241 V279 F281 | Y118-R224 WeakPolarHBondContact OH-CD 3.5Å; Y118-R224 PolarHBondContact OH-NE 2.8Å; Y118-R224 PolarHBondContact OH-NH1 2.8Å; H119-R224 PolarHBondContact O-NH1 2.92Å; R224-E226 HydrophobicContact CG-CG 4.24Å; R224-E226 IonicContact CZ-OE2 3.8Å; R224-E226 IonicContact NE-OE2 3.84Å; R224-E226 PolarHBondContact NE-OE2 2.86Å; R224-E226 IonicContact NH2-OE2 3.39Å; R224-E226 PolarHBondContact NH2-OE2 2.97Å; R224-A238 CarbonylContact O-C 3.04Å; R224-A238 WeakPolarHBondContact O-CA 3.41Å; R224-T239 PolarHBondContact N-O 3.45Å; R224-T239 PolarHBondContact O-N 2.93Å; R224-I241 HydrophobicContact CB-CD1 4.21Å; R224-I241 HydrophobicContact CB-CG1 4.38Å; R224-I241 HydrophobicContact CB-CG2 3.77Å; R224-V279 HydrophobicContact CG-CG1 4.49Å; R224-F281 HydrophobicContact CB-CD1 4.24Å; R224-F281 HydrophobicContact CB-CE1 4.11Å; R224-F281 HydrophobicContact CG-CD1 4.24Å; R224-F281 HydrophobicContact CG-CE1 3.76Å; R224-F281 HydrophobicContact CG-CZ 4.27Å |
| 225 | V | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.7 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | V223 R236 D237 A238 E280 E282 | V223-V225 HydrophobicContact CG1-CG2 4.28Å; V225-R236 HydrophobicContact CG1-CG 3.87Å; V225-D237 WeakPolarHBondContact CA-O 3.32Å; V225-A238 HydrophobicContact CG2-CB 4.21Å; V225-E280 HydrophobicContact CB-CB 4.15Å; V225-E280 PolarHBondContact N-O 2.96Å; V225-E280 PolarHBondContact O-N 3.22Å; V225-E282 HydrophobicContact CG2-CG 4.12Å |
| 226 | E | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.1 | 179.5 | -58.1 | -175.2 | 88.6 | 0 | 0 | 109.3 | Y118 G120 V121 F122 V123 R224 R236 D237 K278 | Y118-E226 WeakPolarHBondContact CE1-OE1 3.34Å; Y118-E226 WeakPolarHBondContact OH-CG 3.36Å; Y118-E226 PolarHBondContact OH-OE1 2.77Å; G120-E226 VanDerWaalsContact CA-OE1 3.26Å; G120-E226 WeakPolarHBondContact CA-OE1 3.44Å; V121-E226 WeakPolarHBondContact CB-OE2 3.49Å; V121-E226 PolarHBondContact N-OE1 2.87Å; V121-E226 PolarHBondContact N-OE2 2.82Å; F122-E226 HydrophobicContact CB-CB 3.92Å; F122-E226 HydrophobicContact CG-CB 4.49Å; F122-E226 PolarHBondContact N-OE1 2.69Å; F122-E226 PolarHBondContact N-OE2 2.75Å; V123-E226 PolarHBondContact N-OE1 2.85Å; V123-E226 VanDerWaalsContact N-OE1 3.14Å; R224-E226 HydrophobicContact CG-CG 4.24Å; R224-E226 IonicContact CZ-OE2 3.8Å; R224-E226 IonicContact NE-OE2 3.84Å; R224-E226 PolarHBondContact NE-OE2 2.86Å; R224-E226 IonicContact NH2-OE2 3.39Å; R224-E226 PolarHBondContact NH2-OE2 2.97Å; E226-R236 CarbonylContact O-C 3.58Å; E226-R236 WeakPolarHBondContact O-CA 3.39Å; E226-D237 PolarHBondContact N-O 2.81Å; E226-D237 PolarHBondContact O-N 3.35Å; E226-K278 WeakPolarHBondContact CA-O 3.03Å |
| 227 | T | 91.9 | Very high | 89.7 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.7 | 171.4 | -56.7 | 0 | 0 | 0 | 0 | 108.2 | Y234 A235 F277 K278 | T227-Y234 HydrophobicContact CG2-CD1 3.95Å; T227-Y234 HydrophobicContact CG2-CG 4.37Å; T227-A235 CarbonylContact C-O 3.53Å; T227-A235 VanDerWaalsContact CA-O 3.25Å; T227-A235 WeakPolarHBondContact CA-O 3.39Å; T227-F277 CarbonylContact O-C 3.56Å; T227-F277 WeakPolarHBondContact O-CA 3.48Å; T227-F277 WeakPolarHBondContact O-CB 3.1Å; T227-K278 PolarHBondContact N-O 2.78Å; T227-K278 PolarHBondContact O-N 2.93Å |
| 228 | C | 89 | Confident | 89.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.5 | 170.6 | 72.4 | 0 | 0 | 0 | 0 | 109.8 | L58 F122 V123 A235 N276 F277 | L58-C228 HydrophobicContact CB-CB 4.43Å; L58-C228 HydrophobicContact CD2-CB 4.14Å; F122-C228 HydrophobicContact CB-CB 4.33Å; F122-C228 VanDerWaalsContact CD2-SG 3.59Å; V123-C228 HydrophobicContact CG2-CB 4.42Å; C228-A235 PolarHBondContact N-O 2.81Å; C228-A235 PolarHBondContact O-N 3.12Å; C228-N276 CarbonylContact C-O 3.59Å; C228-N276 WeakPolarHBondContact CA-O 3.4Å; C228-F277 HydrophobicContact CB-CB 4.45Å |
| 229 | G | 82.3 | Confident | 89.2 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | G233 N276 | G229-G233 CarbonylContact C-O 3.47Å; G229-G233 WeakPolarHBondContact CA-O 3.23Å; G229-N276 PolarHBondContact N-O 2.94Å; G229-N276 VanDerWaalsContact O-O 3.11Å |
| 230 | C | 76.6 | Confident | 89 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 17% | 0.169 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | -171.1 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | E232 G233 | C230-E232 PolarHBondContact O-N 2.86Å; C230-G233 PolarHBondContact N-O 2.9Å; C230-G233 PolarHBondContact O-N 3.48Å; C230-G233 VanDerWaalsContact O-O 3.11Å |
| 231 | A | 73.3 | Confident | 88.8 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 91% | 0.909 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 232 | E | 72 | Confident | 88.8 | Confident | 129 Ų | 129 | 44 Ų | 44 | 60% | 0.603 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -16.6 | -177.9 | -61.7 | 167.9 | 173.6 | 0 | 0 | 112.6 | F71 S74 C230 | F71-E232 HydrophobicContact CD1-CB 4.21Å; F71-E232 HydrophobicContact CE1-CB 3.55Å; F71-E232 WeakPolarHBondContact CE1-O 3.2Å; F71-E232 HydrophobicContact CZ-CB 4.37Å; S74-E232 PolarHBondContact OG-OE2 2.88Å; C230-E232 PolarHBondContact O-N 2.86Å |
| 233 | G | 77 | Confident | 88.7 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | 167.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G229 C230 | G229-G233 CarbonylContact C-O 3.47Å; G229-G233 WeakPolarHBondContact CA-O 3.23Å; C230-G233 PolarHBondContact N-O 2.9Å; C230-G233 PolarHBondContact O-N 3.48Å; C230-G233 VanDerWaalsContact O-O 3.11Å |
| 234 | Y | 83.3 | Confident | 88.7 | Confident | 120 Ų | 120 | 48.5 Ų | 48.5 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.5 | 178.1 | -65.5 | -93.4 | 0 | 0 | 0 | 110.9 | T227 T275 | T227-Y234 HydrophobicContact CG2-CD1 3.95Å; T227-Y234 HydrophobicContact CG2-CG 4.37Å; Y234-T275 VanDerWaalsContact CE1-O 3.29Å; Y234-T275 WeakPolarHBondContact CE1-O 3.28Å; Y234-T275 PolarHBondContact OH-O 2.79Å |
| 235 | A | 85.2 | Confident | 88.8 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L60 F122 T227 C228 | L60-A235 HydrophobicContact CD2-CB 3.33Å; F122-A235 HydrophobicContact CD2-CB 4.38Å; F122-A235 HydrophobicContact CE2-CB 3.73Å; T227-A235 CarbonylContact C-O 3.53Å; T227-A235 VanDerWaalsContact CA-O 3.25Å; T227-A235 WeakPolarHBondContact CA-O 3.39Å; C228-A235 PolarHBondContact N-O 2.81Å; C228-A235 PolarHBondContact O-N 3.12Å |
| 236 | R | 89.1 | Confident | 88.9 | Confident | 148 Ų | 148 | 54.3 Ų | 54.3 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.7 | 177.5 | -179.8 | -179.3 | -178.9 | -95.2 | 2 | 108.8 | V225 E226 E282 | V225-R236 HydrophobicContact CG1-CG 3.87Å; E226-R236 CarbonylContact O-C 3.58Å; E226-R236 WeakPolarHBondContact O-CA 3.39Å; R236-E282 IonicContact NH2-OE1 2.66Å; R236-E282 PolarHBondContact NH2-OE1 3.49Å |
| 237 | D | 89.8 | Confident | 89.1 | Confident | 45 Ų | 45 | 55 Ų | 55 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.6 | 174.8 | -167.3 | 35.6 | 0 | 0 | 0 | 111.1 | F122 V225 E226 | F122-D237 HydrophobicContact CD1-CB 4.42Å; F122-D237 HydrophobicContact CD2-CB 4.19Å; F122-D237 HydrophobicContact CE1-CB 3.82Å; F122-D237 HydrophobicContact CE2-CB 3.61Å; F122-D237 HydrophobicContact CZ-CB 3.42Å; F122-D237 VanDerWaalsContact CZ-CB 3.42Å; V225-D237 WeakPolarHBondContact CA-O 3.32Å; E226-D237 PolarHBondContact N-O 2.81Å; E226-D237 PolarHBondContact O-N 3.35Å |
| 238 | A | 92.9 | Very high | 89.3 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 44% | 0.438 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V223 R224 V225 | V223-A238 HydrophobicContact CG1-CB 3.88Å; R224-A238 CarbonylContact O-C 3.04Å; R224-A238 WeakPolarHBondContact O-CA 3.41Å; V225-A238 HydrophobicContact CG2-CB 4.21Å |
| 239 | T | 93.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.7 | -178.7 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | R224 I241 | R224-T239 PolarHBondContact N-O 3.45Å; R224-T239 PolarHBondContact O-N 2.93Å; T239-I241 HydrophobicContact CG2-CG2 4.47Å; T239-I241 PolarHBondContact O-N 2.92Å |
| 240 | E | 95.2 | Very high | 90.3 | Very high | 98 Ų | 98 | 66.9 Ų | 66.9 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 123.8 | 167.8 | -172.6 | -171.8 | 111.2 | 0 | 0 | 109.3 | Q221 N243 | Q221-E240 HydrophobicContact CB-CG 4.33Å; Q221-E240 VanDerWaalsContact CD-OE2 3.29Å; Q221-E240 PolarHBondContact NE2-OE2 2.83Å; E240-N243 VanDerWaalsContact OE1-CB 3.3Å; E240-N243 WeakPolarHBondContact OE1-CB 3.39Å |
| 241 | I | 94.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -17.9 | 179.3 | 56.9 | 166.4 | 0 | 0 | 0 | 113.1 | L222 R224 T239 P264 F267 T268 F281 | L222-I241 HydrophobicContact CB-CG1 4.1Å; L222-I241 HydrophobicContact CD2-CD1 3.5Å; L222-I241 VanDerWaalsContact CD2-CD1 3.5Å; L222-I241 HydrophobicContact CD2-CG1 3.82Å; L222-I241 HydrophobicContact CG-CD1 3.73Å; L222-I241 HydrophobicContact CG-CG1 3.7Å; L222-I241 VanDerWaalsContact O-CG1 3.26Å; L222-I241 WeakPolarHBondContact O-CG1 3.31Å; L222-I241 PolarHBondContact O-N 2.82Å; R224-I241 HydrophobicContact CB-CD1 4.21Å; R224-I241 HydrophobicContact CB-CG1 4.38Å; R224-I241 HydrophobicContact CB-CG2 3.77Å; T239-I241 HydrophobicContact CG2-CG2 4.47Å; T239-I241 PolarHBondContact O-N 2.92Å; I241-P264 HydrophobicContact CD1-CG 4.49Å; I241-F267 HydrophobicContact CB-CB 4.19Å; I241-F267 HydrophobicContact CD1-CB 4.12Å; I241-F267 WeakPolarHBondContact CD1-O 3.18Å; I241-F267 HydrophobicContact CG2-CB 4.45Å; I241-T268 HydrophobicContact CD1-CG2 3.8Å; I241-F281 HydrophobicContact CD1-CD1 4.16Å; I241-F281 HydrophobicContact CD1-CE1 3.94Å |
| 242 | Q | 96.3 | Very high | 92.2 | Very high | 48 Ų | 48 | 63 Ų | 63 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 134.5 | 174.3 | -178.2 | 179.6 | 8.2 | 0 | 0 | 110 | Q221 L222 I244 V262 | Q221-Q242 CarbonylContact C-O 3.52Å; Q221-Q242 WeakPolarHBondContact CA-O 3.28Å; L222-Q242 HydrophobicContact CB-CB 4.12Å; L222-Q242 PolarHBondContact N-O 3Å; L222-Q242 PolarHBondContact O-N 2.87Å; Q242-I244 HydrophobicContact CG-CG2 4.16Å; Q242-V262 PolarHBondContact OE1-O 3.06Å |
| 243 | N | 97.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.9 | 166.5 | 173.6 | -64.8 | 0 | 0 | 0 | 108.5 | E219 L220 Q221 E240 | E219-N243 PolarHBondContact OE2-ND2 3.5Å; L220-N243 WeakPolarHBondContact O-CA 3.08Å; Q221-N243 HydrophobicContact CG-CB 4.31Å; Q221-N243 WeakPolarHBondContact CG-ND2 3.35Å; E240-N243 VanDerWaalsContact OE1-CB 3.3Å; E240-N243 WeakPolarHBondContact OE1-CB 3.39Å |
| 244 | I | 97.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137 | 168.7 | 66.8 | 179.6 | 0 | 0 | 0 | 109.9 | E219 L220 Q242 I246 M261 | E219-I244 CarbonylContact C-O 3.58Å; E219-I244 VanDerWaalsContact CA-O 3.28Å; E219-I244 WeakPolarHBondContact CA-O 3.4Å; L220-I244 HydrophobicContact CB-CD1 4.46Å; L220-I244 HydrophobicContact CB-CG1 3.87Å; L220-I244 HydrophobicContact CD1-CD1 4.19Å; L220-I244 HydrophobicContact CD1-CG1 4.36Å; L220-I244 PolarHBondContact N-O 2.95Å; L220-I244 PolarHBondContact O-N 2.92Å; Q242-I244 HydrophobicContact CG-CG2 4.16Å; I244-I246 HydrophobicContact CD1-CG2 4.13Å; I244-I246 HydrophobicContact CG1-CG2 4.09Å; I244-M261 HydrophobicContact CD1-CB 3.86Å; I244-M261 HydrophobicContact CD1-CE 3.71Å; I244-M261 HydrophobicContact CD1-CG 4.11Å; I244-M261 HydrophobicContact CG1-CE 3.61Å |
| 245 | Q | 98.2 | Very high | 94.9 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120 | 170 | -172.1 | 179.1 | -72.2 | 0 | 0 | 108.9 | E219 A247 E248 | E219-Q245 HydrophobicContact CG-CB 4.18Å; E219-Q245 HydrophobicContact CG-CG 4.22Å; Q245-A247 VanDerWaalsContact CG-O 3.28Å; Q245-A247 WeakPolarHBondContact CG-O 3.39Å; Q245-E248 PolarHBondContact NE2-OE2 3.06Å |
| 246 | I | 97.9 | Very high | 95.5 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -15.7 | -179.9 | 63.3 | 169.5 | 0 | 0 | 0 | 112.9 | V206 I218 L220 I244 I257 V259 | V206-I246 HydrophobicContact CB-CD1 4.43Å; V206-I246 HydrophobicContact CG2-CD1 4.06Å; I218-I246 HydrophobicContact CB-CG1 4.05Å; I218-I246 HydrophobicContact CG2-CD1 3.84Å; I218-I246 HydrophobicContact CG2-CG1 3.76Å; I218-I246 WeakPolarHBondContact O-CG1 3.26Å; I218-I246 PolarHBondContact O-N 2.82Å; L220-I246 HydrophobicContact CD1-CD1 4.23Å; L220-I246 HydrophobicContact CD1-CG2 3.73Å; L220-I246 HydrophobicContact CD2-CD1 4.41Å; L220-I246 HydrophobicContact CG-CD1 4.11Å; L220-I246 HydrophobicContact CG-CG2 4.03Å; I244-I246 HydrophobicContact CD1-CG2 4.13Å; I244-I246 HydrophobicContact CG1-CG2 4.09Å; I246-I257 HydrophobicContact CB-CG2 4.34Å; I246-I257 HydrophobicContact CD1-CG2 4.06Å; I246-I257 HydrophobicContact CG1-CG2 4.18Å; I246-V259 HydrophobicContact CD1-CG2 4.23Å |
| 247 | A | 97.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 57 Ų | 57 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S217 I218 Q245 V251 I257 | S217-A247 WeakPolarHBondContact CA-O 3.3Å; I218-A247 HydrophobicContact CB-CB 4.1Å; I218-A247 HydrophobicContact CD1-CB 4.31Å; I218-A247 HydrophobicContact CG1-CB 4.19Å; I218-A247 PolarHBondContact N-O 2.96Å; I218-A247 PolarHBondContact O-N 3.41Å; Q245-A247 VanDerWaalsContact CG-O 3.28Å; Q245-A247 WeakPolarHBondContact CG-O 3.39Å; A247-V251 HydrophobicContact CB-CG1 3.56Å; A247-I257 HydrophobicContact CB-CD1 3.89Å; A247-I257 HydrophobicContact CB-CG2 4.32Å |
| 248 | E | 97.1 | Very high | 96.3 | Very high | 158 Ų | 158 | 59.3 Ų | 59.3 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 179.8 | -166.1 | 175.4 | 159.4 | 0 | 0 | 110.4 | Q245 | Q245-E248 PolarHBondContact NE2-OE2 3.06Å |
| 249 | G | 94.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 75.1 | -173.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I215 K216 V251 | I215-G249 CarbonylContact O-C 3.56Å; K216-G249 PolarHBondContact O-N 3.05Å; G249-V251 PolarHBondContact O-N 3.18Å |
| 250 | D | 96.6 | Very high | 96.7 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -74.1 | 97.8 | -176.8 | -163.4 | 31.8 | 0 | 0 | 0 | 109.9 | P214 I215 | P214-D250 VanDerWaalsContact CA-OD1 3.3Å; P214-D250 WeakPolarHBondContact CA-OD1 3.34Å; P214-D250 HydrophobicContact CB-CB 3.96Å; I215-D250 PolarHBondContact N-OD1 2.86Å; I215-D250 WeakPolarHBondContact O-CA 3.41Å; I215-D250 PolarHBondContact O-N 3.15Å; I215-D250 VanDerWaalsContact O-N 3.15Å |
| 251 | V | 95.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 148.9 | -175.7 | -60.9 | 0 | 0 | 0 | 0 | 111 | V208 I215 I218 A247 G249 H253 I257 | V208-V251 HydrophobicContact CB-CG2 3.96Å; V208-V251 HydrophobicContact CG2-CG2 3.7Å; I215-V251 HydrophobicContact CB-CG2 4.46Å; I215-V251 HydrophobicContact CG1-CG2 4.1Å; I218-V251 HydrophobicContact CD1-CG1 4.47Å; I218-V251 HydrophobicContact CD1-CG2 4.24Å; A247-V251 HydrophobicContact CB-CG1 3.56Å; G249-V251 PolarHBondContact O-N 3.18Å; V251-H253 PolarHBondContact O-N 2.94Å; V251-I257 HydrophobicContact CB-CD1 4.1Å; V251-I257 HydrophobicContact CG1-CD1 3.91Å; V251-I257 HydrophobicContact CG2-CD1 4.14Å |
| 252 | G | 94.6 | Very high | 97 | Very high | 40 Ų | 40 | 58.7 Ų | 58.7 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 122.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | G254 M255 | G252-G254 PolarHBondContact O-N 2.98Å; G252-M255 VanDerWaalsContact O-CB 3.23Å; G252-M255 WeakPolarHBondContact O-CB 3.43Å; G252-M255 PolarHBondContact O-N 2.88Å |
| 253 | H | 96.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 137.6 | 176.3 | -69.2 | -175.6 | 0 | 0 | 0 | 110.9 | V208 V251 M255 | V208-H253 CarbonylContact O-C 3.52Å; V208-H253 WeakPolarHBondContact O-CA 3.49Å; V251-H253 PolarHBondContact O-N 2.94Å; H253-M255 PolarHBondContact O-N 2.85Å |
| 254 | G | 96.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 1.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V208 G252 | V208-G254 PolarHBondContact O-N 3.28Å; G252-G254 PolarHBondContact O-N 2.98Å |
| 255 | M | 96.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 63.7 Ų | 63.7 | 49% | 0.488 | 35% | 0.346 | S | S | . | . | trans | -91.7 | 123.6 | 178.1 | -170.5 | 174.5 | 67.5 | 0 | 0 | 110.6 | G252 H253 | G252-M255 VanDerWaalsContact O-CB 3.23Å; G252-M255 WeakPolarHBondContact O-CB 3.43Å; G252-M255 PolarHBondContact O-N 2.88Å; H253-M255 PolarHBondContact O-N 2.85Å | ||
| 256 | P | 97.6 | Very high | 95 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.8 | 174.4 | 28.7 | -33 | 0 | 0 | 0 | 110.7 | ||
| 257 | I | 98.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118 | 176.6 | -60 | 161.3 | 0 | 0 | 0 | 107.2 | E205 V206 I218 I246 A247 V251 | E205-I257 CarbonylContact C-O 3.49Å; E205-I257 WeakPolarHBondContact CA-O 3.49Å; V206-I257 PolarHBondContact N-O 2.86Å; V206-I257 WeakPolarHBondContact O-CA 3.39Å; V206-I257 VanDerWaalsContact O-CB 3.31Å; V206-I257 WeakPolarHBondContact O-CB 3.41Å; V206-I257 PolarHBondContact O-N 3.29Å; I218-I257 HydrophobicContact CD1-CD1 3.65Å; I246-I257 HydrophobicContact CB-CG2 4.34Å; I246-I257 HydrophobicContact CD1-CG2 4.06Å; I246-I257 HydrophobicContact CG1-CG2 4.18Å; A247-I257 HydrophobicContact CB-CD1 3.89Å; A247-I257 HydrophobicContact CB-CG2 4.32Å; V251-I257 HydrophobicContact CB-CD1 4.1Å; V251-I257 HydrophobicContact CG1-CD1 3.91Å; V251-I257 HydrophobicContact CG2-CD1 4.14Å |
| 258 | P | 98 | Very high | 94.2 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 61% | 0.61 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 135.1 | -175.6 | 28.2 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 259 | V | 98.2 | Very high | 94 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128 | 167.6 | 170 | 0 | 0 | 0 | 0 | 108.4 | L191 L202 T203 G204 V206 L220 I246 | L191-V259 HydrophobicContact CD2-CG1 4.38Å; L202-V259 HydrophobicContact CD2-CG1 4.41Å; L202-V259 HydrophobicContact CG-CG1 4.33Å; T203-V259 VanDerWaalsContact CA-O 3.3Å; T203-V259 WeakPolarHBondContact CA-O 3.19Å; G204-V259 PolarHBondContact N-O 2.66Å; G204-V259 PolarHBondContact O-N 2.87Å; V206-V259 HydrophobicContact CG2-CG2 3.84Å; L220-V259 HydrophobicContact CD1-CB 4.25Å; L220-V259 HydrophobicContact CD1-CG1 3.58Å; L220-V259 HydrophobicContact CD1-CG2 4.07Å; I246-V259 HydrophobicContact CD1-CG2 4.23Å |
| 260 | H | 97.6 | Very high | 94 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 95.3 | 172.1 | -176.4 | -77.2 | 0 | 0 | 0 | 110.5 | P201 L202 | P201-H260 WeakPolarHBondContact CG-NE2 3.25Å; L202-H260 CarbonylContact O-C 3.58Å; L202-H260 VanDerWaalsContact O-CA 3.29Å; L202-H260 WeakPolarHBondContact O-CA 3.12Å |
| 261 | M | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.8 | -178.8 | 179.4 | -177.3 | -80.7 | 0 | 0 | 111.2 | P201 L202 L220 L222 I244 I283 | P201-M261 CarbonylContact C-O 3.48Å; P201-M261 WeakPolarHBondContact CA-O 3.32Å; L202-M261 HydrophobicContact CB-CB 4.32Å; L202-M261 PolarHBondContact N-O 2.75Å; L202-M261 PolarHBondContact O-N 2.62Å; L220-M261 HydrophobicContact CB-CE 3.44Å; L220-M261 VanDerWaalsContact CB-CE 3.44Å; L220-M261 HydrophobicContact CD1-CE 4.46Å; L220-M261 WeakPolarHBondContact O-CE 3.29Å; L222-M261 HydrophobicContact CB-SD 3.84Å; I244-M261 HydrophobicContact CD1-CB 3.86Å; I244-M261 HydrophobicContact CD1-CE 3.71Å; I244-M261 HydrophobicContact CD1-CG 4.11Å; I244-M261 HydrophobicContact CG1-CE 3.61Å; M261-I283 HydrophobicContact CE-CD1 3.71Å; M261-I283 HydrophobicContact SD-CD1 3.49Å; M261-I283 WeakPolarHBondContact SD-CD1 3.49Å |
| 262 | V | 97.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 127.3 | 172.8 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | P201 Q242 | P201-V262 HydrophobicContact CB-CG2 4.26Å; Q242-V262 PolarHBondContact OE1-O 3.06Å |
| 263 | F | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 130.4 | 176.6 | -60.5 | -65 | 0 | 0 | 0 | 112.1 | C196 Q200 L202 L222 R265 T268 L301 L303 | C196-F263 HydrophobicContact CB-CE2 3.8Å; C196-F263 HydrophobicContact CB-CZ 3.89Å; Q200-F263 WeakPolarHBondContact O-CD2 3.31Å; Q200-F263 VanDerWaalsContact O-CE2 3.31Å; Q200-F263 WeakPolarHBondContact O-CE2 3.47Å; L202-F263 HydrophobicContact CB-CE1 4.43Å; L202-F263 HydrophobicContact CB-CE2 4.47Å; L202-F263 HydrophobicContact CB-CZ 3.87Å; L222-F263 HydrophobicContact CD1-CD1 4.28Å; L222-F263 HydrophobicContact CD1-CE1 4.11Å; L222-F263 HydrophobicContact CD2-CD1 3.9Å; F263-R265 PolarHBondContact O-N 3.06Å; F263-T268 HydrophobicContact CB-CG2 4.1Å; F263-T268 HydrophobicContact CD1-CG2 4.46Å; F263-L301 HydrophobicContact CE1-CD1 4.04Å; F263-L301 HydrophobicContact CZ-CD1 4.31Å; F263-L303 HydrophobicContact CD1-CD1 4.4Å; F263-L303 HydrophobicContact CD1-CD2 4.45Å; F263-L303 HydrophobicContact CE1-CD2 3.92Å; F263-L303 HydrophobicContact CE2-CD2 4.1Å; F263-L303 HydrophobicContact CZ-CD2 3.72Å |
| 264 | P | 92.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 118.8 | -173.2 | 27.8 | -34.1 | 0 | 0 | 0 | 112.7 | L222 I241 L266 F267 T268 | L222-P264 HydrophobicContact CD2-CG 4.29Å; I241-P264 HydrophobicContact CD1-CG 4.49Å; P264-L266 PolarHBondContact O-N 3.43Å; P264-F267 HydrophobicContact CB-CB 4.41Å; P264-F267 HydrophobicContact CB-CD2 4.2Å; P264-F267 HydrophobicContact CG-CB 3.98Å; P264-F267 PolarHBondContact O-N 3.49Å; P264-T268 HydrophobicContact CG-CG2 4.09Å; P264-T268 PolarHBondContact O-N 3.3Å; P264-T268 PolarHBondContact O-OG1 3.07Å; P264-T268 VanDerWaalsContact O-OG1 3.06Å |
| 265 | R | 79.3 | Confident | 93.2 | Very high | 224 Ų | 224 | 62.7 Ų | 62.7 | 85% | 0.845 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 2.8 | -168.1 | -69.1 | -175.9 | 178.8 | 174.2 | 0.6 | 118.4 | F263 | F263-R265 PolarHBondContact O-N 3.06Š|
| 266 | L | 81 | Confident | 92.9 | Very high | 137 Ų | 137 | 61.1 Ų | 61.1 | 72% | 0.717 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | -9.1 | 175.9 | -66.4 | 174.5 | 0 | 0 | 0 | 113.4 | P264 | P264-L266 PolarHBondContact O-N 3.43Š|
| 267 | F | 87.2 | Confident | 92.7 | Very high | 110 Ų | 110 | 58.3 Ų | 58.3 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -8 | -179.2 | -61.9 | -80.8 | 0 | 0 | 0 | 112.2 | I241 P264 | I241-F267 HydrophobicContact CB-CB 4.19Å; I241-F267 HydrophobicContact CD1-CB 4.12Å; I241-F267 WeakPolarHBondContact CD1-O 3.18Å; I241-F267 HydrophobicContact CG2-CB 4.45Å; P264-F267 HydrophobicContact CB-CB 4.41Å; P264-F267 HydrophobicContact CB-CD2 4.2Å; P264-F267 HydrophobicContact CG-CB 3.98Å; P264-F267 PolarHBondContact O-N 3.49Å |
| 268 | T | 92 | Very high | 92.5 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | trans | -118.7 | 143.1 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | L222 I241 F263 P264 F281 L303 | L222-T268 HydrophobicContact CD2-CG2 3.82Å; I241-T268 HydrophobicContact CD1-CG2 3.8Å; F263-T268 HydrophobicContact CB-CG2 4.1Å; F263-T268 HydrophobicContact CD1-CG2 4.46Å; P264-T268 HydrophobicContact CG-CG2 4.09Å; P264-T268 PolarHBondContact O-N 3.3Å; P264-T268 PolarHBondContact O-OG1 3.07Å; P264-T268 VanDerWaalsContact O-OG1 3.06Å; T268-F281 HydrophobicContact CG2-CD1 4.36Å; T268-F281 HydrophobicContact CG2-CE1 3.92Å; T268-L303 HydrophobicContact CG2-CD1 4.18Å | ||
| 269 | C | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | trans | -136 | 173.9 | 168.1 | 67.1 | 0 | 0 | 0 | 0 | 108.4 | E116 Y118 I198 F281 | E116-C269 HydrophobicContact CG-CB 4.36Å; Y118-C269 HydrophobicContact CD2-CB 4.01Å; Y118-C269 WeakPolarHBondContact CD2-SG 3.48Å; I198-C269 WeakPolarHBondContact CD1-O 3.27Å; C269-F281 WeakPolarHBondContact O-CE2 3.43Å | ||
| 270 | P | 93.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -55.8 | 143.4 | 168.8 | -27.7 | 36.9 | 0 | 0 | 0 | 111 | E116 S152 I198 L272 L303 R305 | E116-P270 VanDerWaalsContact OE1-CD 3.24Å; E116-P270 WeakPolarHBondContact OE1-CD 3.36Å; E116-P270 WeakPolarHBondContact OE2-CD 3.03Å; S152-P270 WeakPolarHBondContact OG-CG 3.44Å; I198-P270 HydrophobicContact CD1-CB 4.22Å; I198-P270 VanDerWaalsContact CD1-CD 3.43Å; I198-P270 HydrophobicContact CD1-CG 3.64Å; P270-L272 PolarHBondContact O-N 2.9Å; P270-L303 CarbonylContact C-O 3.53Å; P270-L303 VanDerWaalsContact CA-O 3.27Å; P270-L303 WeakPolarHBondContact CA-O 3.47Å; P270-R305 HydrophobicContact CG-CB 3.9Å | ||
| 271 | T | 94.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | trans | -55.3 | 124.6 | 171.4 | -61.6 | 0 | 0 | 0 | 0 | 108.1 | V279 E280 L301 K302 L303 | T271-V279 WeakPolarHBondContact CA-O 3.47Å; T271-E280 HydrophobicContact CG2-CG 4.28Å; T271-L301 PolarHBondContact OG1-O 2.9Å; T271-K302 WeakPolarHBondContact OG1-CA 3.38Å; T271-L303 PolarHBondContact N-O 2.9Å; T271-L303 PolarHBondContact OG1-N 2.89Å | ||
| 272 | L | 94.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121 | -172.9 | 175.5 | 57.4 | 0 | 0 | 0 | 108.8 | Y115 I125 P270 T274 F277 K278 V279 | Y115-L272 HydrophobicContact CD1-CD1 3.62Å; Y115-L272 HydrophobicContact CD1-CD2 3.73Å; Y115-L272 HydrophobicContact CD1-CG 4.34Å; Y115-L272 HydrophobicContact CE1-CD1 3.7Å; Y115-L272 HydrophobicContact CE1-CD2 4.36Å; Y115-L272 HydrophobicContact CG-CD2 3.97Å; I125-L272 HydrophobicContact CD1-CD2 3.81Å; P270-L272 PolarHBondContact O-N 2.9Å; L272-T274 HydrophobicContact CD1-CG2 4Å; L272-T274 HydrophobicContact CG-CG2 4.22Å; L272-F277 HydrophobicContact CD2-CE2 3.56Å; L272-F277 HydrophobicContact CD2-CZ 4.1Å; L272-F277 HydrophobicContact CG-CE2 4.15Å; L272-K278 CarbonylContact O-C 3.55Å; L272-K278 WeakPolarHBondContact O-CA 3.2Å; L272-V279 HydrophobicContact CB-CB 4.46Å; L272-V279 PolarHBondContact N-O 3Å; L272-V279 PolarHBondContact O-N 3.01Å |
| 273 | E | 93.6 | Very high | 92.4 | Very high | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.7 | 176 | -66.9 | -170.3 | -118.6 | 0 | 0 | 109.7 | K278 | E273-K278 HydrophobicContact CG-CD 4.16Å; E273-K278 HydrophobicContact CG-CG 4.37Å; E273-K278 IonicContact OE2-NZ 2.69Å; E273-K278 PolarHBondContact OE2-NZ 2.6Å |
| 274 | T | 92.3 | Very high | 92.5 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | -126.7 | 175.2 | 173 | 78.6 | 0 | 0 | 0 | 0 | 109.5 | Y115 L272 N276 F277 | Y115-T274 HydrophobicContact CE1-CG2 4.06Å; L272-T274 HydrophobicContact CD1-CG2 4Å; L272-T274 HydrophobicContact CG-CG2 4.22Å; T274-N276 VanDerWaalsContact C-N 3.34Å; T274-N276 PolarHBondContact O-N 3.11Å; T274-N276 PolarHBondContact OG1-N 3.11Å; T274-F277 WeakPolarHBondContact CA-O 3.45Å; T274-F277 WeakPolarHBondContact CB-O 3.32Å; T274-F277 HydrophobicContact CG2-CD1 4.28Å; T274-F277 HydrophobicContact CG2-CE1 3.76Å; T274-F277 HydrophobicContact CG2-CE2 4.09Å; T274-F277 HydrophobicContact CG2-CZ 3.66Å; T274-F277 PolarHBondContact N-O 3.28Å; T274-F277 WeakPolarHBondContact OG1-CD1 3.37Å; T274-F277 WeakPolarHBondContact OG1-CE1 3.38Å; T274-F277 PolarHBondContact OG1-N 3.33Å; T274-F277 PolarHBondContact OG1-O 3.47Å | ||
| 275 | T | 88.6 | Confident | 92.7 | Very high | 112 Ų | 112 | 50.1 Ų | 50.1 | 69% | 0.687 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -60.6 | -43.2 | 173.9 | -48 | 0 | 0 | 0 | 0 | 112 | Y234 | Y234-T275 VanDerWaalsContact CE1-O 3.29Å; Y234-T275 WeakPolarHBondContact CE1-O 3.28Å; Y234-T275 PolarHBondContact OH-O 2.79Å |
| 276 | N | 89.1 | Confident | 93.6 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -100.3 | -19.2 | -169 | -63 | -22.4 | 0 | 0 | 0 | 113.5 | L58 I78 C228 G229 T274 | L58-N276 HydrophobicContact CD1-CB 4.44Å; I78-N276 HydrophobicContact CD1-CB 4.46Å; C228-N276 CarbonylContact C-O 3.59Å; C228-N276 WeakPolarHBondContact CA-O 3.4Å; G229-N276 PolarHBondContact N-O 2.94Å; G229-N276 VanDerWaalsContact O-O 3.11Å; T274-N276 VanDerWaalsContact C-N 3.34Å; T274-N276 PolarHBondContact O-N 3.11Å; T274-N276 PolarHBondContact OG1-N 3.11Å |
| 277 | F | 93.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 154.1 | -179.5 | 71 | -84.8 | 0 | 0 | 0 | 112.8 | V56 L58 I78 Y115 V123 I125 T227 C228 L272 T274 | V56-F277 HydrophobicContact CG1-CD1 4.29Å; V56-F277 HydrophobicContact CG1-CE1 3.98Å; V56-F277 HydrophobicContact CG1-CE2 4.39Å; V56-F277 HydrophobicContact CG1-CZ 4.03Å; V56-F277 HydrophobicContact CG2-CE1 4.29Å; V56-F277 HydrophobicContact CG2-CZ 4.11Å; L58-F277 HydrophobicContact CD1-CB 4.31Å; L58-F277 HydrophobicContact CD1-CD1 4.39Å; L58-F277 HydrophobicContact CD2-CB 3.59Å; L58-F277 HydrophobicContact CD2-CD1 4.08Å; L58-F277 HydrophobicContact CD2-CD2 4.49Å; L58-F277 HydrophobicContact CD2-CG 3.81Å; I78-F277 HydrophobicContact CD1-CD1 4.18Å; I78-F277 HydrophobicContact CD1-CE1 4.15Å; Y115-F277 HydrophobicContact CD2-CZ 4.02Å; Y115-F277 HydrophobicContact CE2-CE1 4.29Å; Y115-F277 AromaticContact CE2-CZ 3.85Å; Y115-F277 HydrophobicContact CE2-CZ 3.85Å; V123-F277 HydrophobicContact CB-CD2 4.48Å; V123-F277 HydrophobicContact CG1-CD2 3.57Å; V123-F277 HydrophobicContact CG1-CE2 3.89Å; V123-F277 HydrophobicContact CG1-CG 4.3Å; V123-F277 HydrophobicContact CG2-CB 3.97Å; V123-F277 HydrophobicContact CG2-CD2 4.07Å; V123-F277 HydrophobicContact CG2-CG 4.38Å; I125-F277 HydrophobicContact CD1-CE2 4.01Å; I125-F277 HydrophobicContact CD1-CZ 4.35Å; T227-F277 CarbonylContact O-C 3.56Å; T227-F277 WeakPolarHBondContact O-CA 3.48Å; T227-F277 WeakPolarHBondContact O-CB 3.1Å; C228-F277 HydrophobicContact CB-CB 4.45Å; L272-F277 HydrophobicContact CD2-CE2 3.56Å; L272-F277 HydrophobicContact CD2-CZ 4.1Å; L272-F277 HydrophobicContact CG-CE2 4.15Å; T274-F277 WeakPolarHBondContact CA-O 3.45Å; T274-F277 WeakPolarHBondContact CB-O 3.32Å; T274-F277 HydrophobicContact CG2-CD1 4.28Å; T274-F277 HydrophobicContact CG2-CE1 3.76Å; T274-F277 HydrophobicContact CG2-CE2 4.09Å; T274-F277 HydrophobicContact CG2-CZ 3.66Å; T274-F277 PolarHBondContact N-O 3.28Å; T274-F277 WeakPolarHBondContact OG1-CD1 3.37Å; T274-F277 WeakPolarHBondContact OG1-CE1 3.38Å; T274-F277 PolarHBondContact OG1-N 3.33Å; T274-F277 PolarHBondContact OG1-O 3.47Å |
| 278 | K | 95.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.6 | 176.7 | -50.8 | -173.3 | 173.8 | -154.4 | 0 | 110.9 | E226 T227 L272 E273 E280 | E226-K278 WeakPolarHBondContact CA-O 3.03Å; T227-K278 PolarHBondContact N-O 2.78Å; T227-K278 PolarHBondContact O-N 2.93Å; L272-K278 CarbonylContact O-C 3.55Å; L272-K278 WeakPolarHBondContact O-CA 3.2Å; E273-K278 HydrophobicContact CG-CD 4.16Å; E273-K278 HydrophobicContact CG-CG 4.37Å; E273-K278 IonicContact OE2-NZ 2.69Å; E273-K278 PolarHBondContact OE2-NZ 2.6Å; K278-E280 HydrophobicContact CB-CG 4.35Å |
| 279 | V | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 109.9 | 168.6 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | Y118 V123 R224 T271 L272 F281 | Y118-V279 HydrophobicContact CD1-CG2 4.07Å; Y118-V279 HydrophobicContact CD2-CG1 4.29Å; Y118-V279 HydrophobicContact CE1-CG1 4.15Å; Y118-V279 HydrophobicContact CE1-CG2 3.73Å; Y118-V279 HydrophobicContact CE2-CG1 3.65Å; V123-V279 HydrophobicContact CB-CG2 4.21Å; V123-V279 HydrophobicContact CG1-CG2 4.18Å; V123-V279 HydrophobicContact CG2-CG2 4.37Å; R224-V279 HydrophobicContact CG-CG1 4.49Å; T271-V279 WeakPolarHBondContact CA-O 3.47Å; L272-V279 HydrophobicContact CB-CB 4.46Å; L272-V279 PolarHBondContact N-O 3Å; L272-V279 PolarHBondContact O-N 3.01Å; V279-F281 HydrophobicContact CG1-CE2 3.96Å; V279-F281 HydrophobicContact CG1-CZ 3.93Å |
| 280 | E | 96.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 34 Ų | 34 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 162.7 | -174.6 | -65.8 | 169.8 | 109.6 | 0 | 0 | 109.6 | V225 T271 K278 | V225-E280 HydrophobicContact CB-CB 4.15Å; V225-E280 PolarHBondContact N-O 2.96Å; V225-E280 PolarHBondContact O-N 3.22Å; T271-E280 HydrophobicContact CG2-CG 4.28Å; K278-E280 HydrophobicContact CB-CG 4.35Å |
| 281 | F | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146 | -178.5 | -62.6 | -88.3 | 0 | 0 | 0 | 109.6 | V223 R224 I241 T268 C269 V279 L301 L303 | V223-F281 CarbonylContact O-C 3.57Å; V223-F281 VanDerWaalsContact O-CA 3.32Å; V223-F281 WeakPolarHBondContact O-CA 3.44Å; R224-F281 HydrophobicContact CB-CD1 4.24Å; R224-F281 HydrophobicContact CB-CE1 4.11Å; R224-F281 HydrophobicContact CG-CD1 4.24Å; R224-F281 HydrophobicContact CG-CE1 3.76Å; R224-F281 HydrophobicContact CG-CZ 4.27Å; I241-F281 HydrophobicContact CD1-CD1 4.16Å; I241-F281 HydrophobicContact CD1-CE1 3.94Å; T268-F281 HydrophobicContact CG2-CD1 4.36Å; T268-F281 HydrophobicContact CG2-CE1 3.92Å; C269-F281 WeakPolarHBondContact O-CE2 3.43Å; V279-F281 HydrophobicContact CG1-CE2 3.96Å; V279-F281 HydrophobicContact CG1-CZ 3.93Å; F281-L301 HydrophobicContact CB-CB 4.18Å; F281-L301 WeakPolarHBondContact O-CA 3.48Å; F281-L301 PolarHBondContact O-N 2.78Å; F281-L303 HydrophobicContact CB-CD1 4.07Å; F281-L303 HydrophobicContact CB-CG 4.16Å; F281-L303 HydrophobicContact CD1-CD1 3.99Å; F281-L303 HydrophobicContact CD2-CB 4.26Å; F281-L303 HydrophobicContact CD2-CD1 3.47Å; F281-L303 VanDerWaalsContact CD2-CD1 3.47Å; F281-L303 HydrophobicContact CD2-CG 3.77Å; F281-L303 HydrophobicContact CE1-CD1 4.34Å; F281-L303 HydrophobicContact CE2-CD1 3.88Å; F281-L303 HydrophobicContact CE2-CG 4.46Å; F281-L303 HydrophobicContact CG-CD1 3.55Å; F281-L303 HydrophobicContact CG-CG 4.03Å; F281-L303 HydrophobicContact CZ-CD1 4.3Å |
| 282 | E | 97.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.9 | 177 | -65.1 | 171.9 | -173.7 | 0 | 0 | 107.5 | V223 V225 R236 F299 | V223-E282 HydrophobicContact CB-CB 4.38Å; V223-E282 PolarHBondContact N-O 2.82Å; V223-E282 PolarHBondContact O-N 2.88Å; V225-E282 HydrophobicContact CG2-CG 4.12Å; R236-E282 IonicContact NH2-OE1 2.66Å; R236-E282 PolarHBondContact NH2-OE1 3.49Å; E282-F299 CarbonylContact C-O 3.55Å; E282-F299 VanDerWaalsContact CA-O 3.31Å; E282-F299 WeakPolarHBondContact CA-O 3.29Å |
| 283 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.2 | 167.8 | -171.4 | 80.5 | 0 | 0 | 0 | 108.7 | L191 L202 L220 Q221 L222 M261 F299 L301 | L191-I283 HydrophobicContact CD1-CG2 3.67Å; L202-I283 HydrophobicContact CD2-CB 4.14Å; L202-I283 HydrophobicContact CD2-CD1 3.96Å; L202-I283 HydrophobicContact CD2-CG1 3.74Å; L202-I283 HydrophobicContact CD2-CG2 4.07Å; L220-I283 HydrophobicContact CB-CD1 4.28Å; Q221-I283 WeakPolarHBondContact O-CA 3.48Å; Q221-I283 WeakPolarHBondContact O-CD1 3.5Å; L222-I283 HydrophobicContact CB-CD1 4.37Å; M261-I283 HydrophobicContact CE-CD1 3.71Å; M261-I283 HydrophobicContact SD-CD1 3.49Å; M261-I283 WeakPolarHBondContact SD-CD1 3.49Å; I283-F299 HydrophobicContact CG2-CB 3.76Å; I283-F299 HydrophobicContact CG2-CD2 4.21Å; I283-F299 HydrophobicContact CG2-CG 4.43Å; I283-F299 PolarHBondContact N-O 3.29Å; I283-F299 PolarHBondContact O-N 2.83Å; I283-L301 HydrophobicContact CB-CD1 3.94Å; I283-L301 HydrophobicContact CB-CG 4.3Å; I283-L301 HydrophobicContact CG2-CD1 4.1Å; I283-L301 HydrophobicContact CG2-CD2 3.89Å; I283-L301 HydrophobicContact CG2-CG 4.05Å |
| 284 | N | 97.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127 | 174 | -58.8 | -14.4 | 0 | 0 | 0 | 109 | L220 Q221 V286 T296 E297 N298 | L220-N284 WeakPolarHBondContact CA-O 3.31Å; Q221-N284 HydrophobicContact CB-CB 4.16Å; Q221-N284 PolarHBondContact N-O 2.99Å; Q221-N284 PolarHBondContact O-N 3.48Å; N284-V286 HydrophobicContact CB-CG2 4.07Å; N284-T296 HydrophobicContact CB-CG2 3.86Å; N284-E297 WeakPolarHBondContact CA-O 3.3Å; N284-N298 PolarHBondContact ND2-OD1 2.64Å; N284-N298 VanDerWaalsContact OD1-CG 3.31Å; N284-N298 PolarHBondContact OD1-OD1 3.39Å |
| 285 | V | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.3 | 163.6 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | F166 V206 L220 T296 E297 F299 | F166-V285 HydrophobicContact CZ-CG2 4.43Å; V206-V285 HydrophobicContact CG1-CG1 4.41Å; V206-V285 HydrophobicContact CG2-CG1 4.09Å; L220-V285 HydrophobicContact CD2-CB 4.4Å; L220-V285 HydrophobicContact CD2-CG2 3.79Å; V285-T296 WeakPolarHBondContact O-CA 3.42Å; V285-E297 PolarHBondContact N-O 3.1Å; V285-E297 PolarHBondContact O-N 2.93Å; V285-F299 HydrophobicContact CB-CE2 4.4Å; V285-F299 HydrophobicContact CG2-CD2 4.33Å; V285-F299 HydrophobicContact CG2-CE2 3.79Å |
| 286 | V | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.2 | -178 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I218 E219 Q221 N284 I288 L294 I295 T296 | I218-V286 CarbonylContact C-O 3.57Å; I218-V286 WeakPolarHBondContact CA-O 3.27Å; E219-V286 HydrophobicContact CB-CB 4.23Å; E219-V286 PolarHBondContact N-O 3.31Å; E219-V286 PolarHBondContact O-N 3.2Å; Q221-V286 HydrophobicContact CG-CG2 4.12Å; N284-V286 HydrophobicContact CB-CG2 4.07Å; V286-I288 HydrophobicContact CG1-CG1 4.18Å; V286-L294 HydrophobicContact CG1-CD1 4.06Å; V286-L294 HydrophobicContact CG1-CD2 4.34Å; V286-L294 HydrophobicContact CG1-CG 3.93Å; V286-I295 CarbonylContact C-O 3.58Å; V286-I295 VanDerWaalsContact CA-O 3.32Å; V286-I295 WeakPolarHBondContact CA-O 3.3Å; V286-T296 HydrophobicContact CG2-CG2 4.14Å |
| 287 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.6 | 174.3 | 177 | 0 | 0 | 0 | 0 | 107.5 | I187 I215 I218 L289 I295 | I187-V287 HydrophobicContact CD1-CB 3.86Å; I187-V287 HydrophobicContact CD1-CG1 3.77Å; I187-V287 HydrophobicContact CD1-CG2 3.71Å; I215-V287 HydrophobicContact CD1-CG1 3.81Å; I215-V287 HydrophobicContact CG2-CG1 4.17Å; I218-V287 HydrophobicContact CG1-CG1 4.4Å; I218-V287 HydrophobicContact CG1-CG2 4.16Å; I218-V287 HydrophobicContact CG2-CG2 4.01Å; V287-L289 HydrophobicContact CG1-CD2 4.23Å; V287-I295 HydrophobicContact CB-CB 4.2Å; V287-I295 PolarHBondContact N-O 3.07Å; V287-I295 PolarHBondContact O-N 3.04Å |
| 288 | I | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.2 | 179.5 | -49.3 | -177.1 | 0 | 0 | 0 | 107.4 | K216 S217 E219 V286 | K216-I288 WeakPolarHBondContact CA-O 3.45Å; K216-I288 HydrophobicContact CB-CB 4.38Å; K216-I288 HydrophobicContact CB-CG2 4.31Å; K216-I288 VanDerWaalsContact CB-O 3.27Å; K216-I288 WeakPolarHBondContact CB-O 3.48Å; K216-I288 HydrophobicContact CD-CG2 3.81Å; K216-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact O-N 3.22Å; S217-I288 WeakPolarHBondContact OG-CD1 3.13Å; E219-I288 WeakPolarHBondContact OE1-CD1 3.18Å; V286-I288 HydrophobicContact CG1-CG1 4.18Å |
| 289 | L | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 159.9 | 174.8 | -53.7 | -173.2 | 0 | 0 | 0 | 110.3 | P183 V213 I215 V287 D291 D292 H293 I295 | P183-L289 HydrophobicContact CB-CD1 4.49Å; P183-L289 HydrophobicContact CG-CD1 3.43Å; P183-L289 VanDerWaalsContact CG-CD1 3.43Å; V213-L289 HydrophobicContact CB-CB 4.3Å; V213-L289 HydrophobicContact CB-CD1 4.11Å; V213-L289 HydrophobicContact CG1-CB 3.89Å; I215-L289 HydrophobicContact CD1-CD2 3.42Å; I215-L289 VanDerWaalsContact CD1-CD2 3.42Å; V287-L289 HydrophobicContact CG1-CD2 4.23Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.12Å; L289-D291 PolarHBondContact O-N 3.17Å; L289-D292 PolarHBondContact O-N 3.38Å; L289-H293 HydrophobicContact CB-CB 4.21Å; L289-H293 HydrophobicContact CD1-CB 3.89Å; L289-H293 HydrophobicContact CG-CB 4.16Å; L289-H293 PolarHBondContact N-O 3.29Å; L289-I295 HydrophobicContact CD1-CD1 4.09Å; L289-I295 HydrophobicContact CD2-CD1 4.12Å; L289-I295 HydrophobicContact CG-CD1 4.15Å |
| 290 | Q | 96.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 41.5 Ų | 41.5 | 53% | 0.533 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.1 | 179.9 | -77.1 | -173.6 | 2.9 | 0 | 0 | 114.4 | V213 P214 K216 D292 | V213-Q290 HydrophobicContact CG1-CB 4.39Å; P214-Q290 HydrophobicContact CB-CG 4.04Å; P214-Q290 WeakPolarHBondContact O-CG 3.14Å; P214-Q290 PolarHBondContact O-N 3.5Å; K216-Q290 HydrophobicContact CB-CG 4.24Å; Q290-D292 VanDerWaalsContact C-N 3.25Å |
| 291 | D | 93.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 17.1 | 173.2 | 69.4 | -8.5 | 0 | 0 | 0 | 113 | V213 L289 H293 | V213-D291 HydrophobicContact CG1-CB 4.14Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.12Å; L289-D291 PolarHBondContact O-N 3.17Å; D291-H293 PolarHBondContact O-N 2.68Å; D291-H293 IonicContact OD1-CG 3.62Å; D291-H293 PolarHBondContact OD1-N 2.89Å; D291-H293 IonicContact OD1-ND1 2.92Å; D291-H293 PolarHBondContact OD1-ND1 2.92Å; D291-H293 IonicContact OD2-CE1 3.29Å; D291-H293 PolarHBondContact OD2-CE1 3.25Å; D291-H293 VanDerWaalsContact OD2-CE1 3.29Å; D291-H293 IonicContact OD2-ND1 2.82Å; D291-H293 PolarHBondContact OD2-ND1 3.35Å |
| 292 | D | 91.1 | Very high | 95.5 | Very high | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | trans | 65.6 | 12.9 | 177 | -59.5 | -47.9 | 0 | 0 | 0 | 115.7 | K216 L289 Q290 L294 | K216-D292 IonicContact NZ-OD1 2.92Å; K216-D292 PolarHBondContact NZ-OD1 3.49Å; L289-D292 PolarHBondContact O-N 3.38Å; Q290-D292 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 3.16Å | ||
| 293 | H | 91.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | trans | -62.6 | 129.5 | 164.1 | -74.4 | 99.8 | 0 | 0 | 0 | 110.6 | L289 D291 | L289-H293 HydrophobicContact CB-CB 4.21Å; L289-H293 HydrophobicContact CD1-CB 3.89Å; L289-H293 HydrophobicContact CG-CB 4.16Å; L289-H293 PolarHBondContact N-O 3.29Å; D291-H293 PolarHBondContact O-N 2.68Å; D291-H293 IonicContact OD1-CG 3.62Å; D291-H293 PolarHBondContact OD1-N 2.89Å; D291-H293 IonicContact OD1-ND1 2.92Å; D291-H293 PolarHBondContact OD1-ND1 2.92Å; D291-H293 IonicContact OD2-CE1 3.29Å; D291-H293 PolarHBondContact OD2-CE1 3.25Å; D291-H293 VanDerWaalsContact OD2-CE1 3.29Å; D291-H293 IonicContact OD2-ND1 2.82Å; D291-H293 PolarHBondContact OD2-ND1 3.35Å | ||
| 294 | L | 92.5 | Very high | 95 | Very high | 111 Ų | 111 | 43.4 Ų | 43.4 | 58% | 0.581 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.2 | 178.5 | -174.8 | 145.6 | 0 | 0 | 0 | 109.6 | V286 D292 T296 | V286-L294 HydrophobicContact CG1-CD1 4.06Å; V286-L294 HydrophobicContact CG1-CD2 4.34Å; V286-L294 HydrophobicContact CG1-CG 3.93Å; D292-L294 PolarHBondContact O-N 3.16Å; L294-T296 WeakPolarHBondContact CD2-OG1 3.22Å |
| 295 | I | 94.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.6 | 177.8 | -60.5 | 168.2 | 0 | 0 | 0 | 106.5 | I168 L173 F185 I187 V286 V287 L289 | I168-I295 HydrophobicContact CG2-CG2 3.71Å; L173-I295 HydrophobicContact CD2-CG2 3.96Å; F185-I295 HydrophobicContact CD1-CD1 3.59Å; F185-I295 HydrophobicContact CD2-CD1 3.82Å; F185-I295 HydrophobicContact CE1-CD1 3.57Å; F185-I295 HydrophobicContact CE1-CG1 4.01Å; F185-I295 HydrophobicContact CE2-CD1 3.79Å; F185-I295 HydrophobicContact CE2-CG1 4.32Å; F185-I295 HydrophobicContact CE2-CG2 4.01Å; F185-I295 HydrophobicContact CG-CD1 3.73Å; F185-I295 HydrophobicContact CZ-CD1 3.68Å; F185-I295 HydrophobicContact CZ-CG1 3.92Å; F185-I295 HydrophobicContact CZ-CG2 4.22Å; I187-I295 HydrophobicContact CD1-CD1 4.15Å; I187-I295 HydrophobicContact CD1-CG2 4.46Å; V286-I295 CarbonylContact C-O 3.58Å; V286-I295 VanDerWaalsContact CA-O 3.32Å; V286-I295 WeakPolarHBondContact CA-O 3.3Å; V287-I295 HydrophobicContact CB-CB 4.2Å; V287-I295 PolarHBondContact N-O 3.07Å; V287-I295 PolarHBondContact O-N 3.04Å; L289-I295 HydrophobicContact CD1-CD1 4.09Å; L289-I295 HydrophobicContact CD2-CD1 4.12Å; L289-I295 HydrophobicContact CG-CD1 4.15Å |
| 296 | T | 94.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 130 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | N284 V285 V286 L294 | N284-T296 HydrophobicContact CB-CG2 3.86Å; V285-T296 WeakPolarHBondContact O-CA 3.42Å; V286-T296 HydrophobicContact CG2-CG2 4.14Å; L294-T296 WeakPolarHBondContact CD2-OG1 3.22Å |
| 297 | E | 95.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | 169.1 | -170.7 | 69.8 | -173.8 | 0 | 0 | 108.7 | I168 N284 V285 F299 | I168-E297 HydrophobicContact CD1-CB 3.59Å; I168-E297 HydrophobicContact CD1-CG 4.36Å; I168-E297 HydrophobicContact CG1-CB 4.01Å; I168-E297 HydrophobicContact CG1-CG 4.31Å; N284-E297 WeakPolarHBondContact CA-O 3.3Å; V285-E297 PolarHBondContact N-O 3.1Å; V285-E297 PolarHBondContact O-N 2.93Å; E297-F299 HydrophobicContact CB-CE2 4Å; E297-F299 HydrophobicContact CB-CZ 4.13Å; E297-F299 HydrophobicContact CG-CE1 4.03Å; E297-F299 HydrophobicContact CG-CE2 3.65Å; E297-F299 HydrophobicContact CG-CZ 3.32Å |
| 298 | N | 95.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.2 | -170.7 | -57.7 | -120.1 | 0 | 0 | 0 | 108.8 | N284 | N284-N298 PolarHBondContact ND2-OD1 2.64Å; N284-N298 VanDerWaalsContact OD1-CG 3.31Å; N284-N298 PolarHBondContact OD1-OD1 3.39Å |
| 299 | F | 96.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116 | 179.8 | -55.5 | -86.8 | 0 | 0 | 0 | 110.7 | V164 F166 L191 E282 I283 V285 E297 L301 | V164-F299 HydrophobicContact CG1-CD1 4.03Å; V164-F299 HydrophobicContact CG1-CE1 4.33Å; V164-F299 HydrophobicContact CG2-CD1 4.28Å; V164-F299 HydrophobicContact CG2-CE1 4.22Å; F166-F299 HydrophobicContact CB-CE1 3.87Å; F166-F299 HydrophobicContact CB-CZ 3.63Å; F166-F299 AromaticContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE2 4.18Å; F166-F299 AromaticContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD1-CZ 3.41Å; F166-F299 VanDerWaalsContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD2-CZ 4.27Å; F166-F299 HydrophobicContact CE1-CE2 4.46Å; F166-F299 HydrophobicContact CE1-CZ 4.1Å; F166-F299 HydrophobicContact CG-CE1 4.14Å; F166-F299 HydrophobicContact CG-CE2 4.47Å; F166-F299 AromaticContact CG-CZ 3.52Å; F166-F299 HydrophobicContact CG-CZ 3.52Å; L191-F299 HydrophobicContact CD1-CB 4.01Å; L191-F299 HydrophobicContact CD1-CD1 4.42Å; L191-F299 HydrophobicContact CD1-CD2 3.96Å; L191-F299 HydrophobicContact CD1-CG 3.86Å; E282-F299 CarbonylContact C-O 3.55Å; E282-F299 VanDerWaalsContact CA-O 3.31Å; E282-F299 WeakPolarHBondContact CA-O 3.29Å; I283-F299 HydrophobicContact CG2-CB 3.76Å; I283-F299 HydrophobicContact CG2-CD2 4.21Å; I283-F299 HydrophobicContact CG2-CG 4.43Å; I283-F299 PolarHBondContact N-O 3.29Å; I283-F299 PolarHBondContact O-N 2.83Å; V285-F299 HydrophobicContact CB-CE2 4.4Å; V285-F299 HydrophobicContact CG2-CD2 4.33Å; V285-F299 HydrophobicContact CG2-CE2 3.79Å; E297-F299 HydrophobicContact CB-CE2 4Å; E297-F299 HydrophobicContact CB-CZ 4.13Å; E297-F299 HydrophobicContact CG-CE1 4.03Å; E297-F299 HydrophobicContact CG-CE2 3.65Å; E297-F299 HydrophobicContact CG-CZ 3.32Å; F299-L301 PolarHBondContact O-N 2.82Å |
| 300 | P | 96.6 | Very high | 93.2 | Very high | 96 Ų | 96 | 60 Ų | 60 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 134 | 171.6 | -22.7 | 33.6 | 0 | 0 | 0 | 111.6 | ||
| 301 | L | 95.8 | Very high | 93 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.7 | 177 | -62 | -173.9 | 0 | 0 | 0 | 110.8 | T194 L202 L222 F263 T271 F281 I283 F299 L303 | T194-L301 CarbonylContact O-C 3.45Å; T194-L301 WeakPolarHBondContact O-CA 3.38Å; L202-L301 HydrophobicContact CD1-CD2 4.46Å; L222-L301 HydrophobicContact CD1-CD1 4.11Å; F263-L301 HydrophobicContact CE1-CD1 4.04Å; F263-L301 HydrophobicContact CZ-CD1 4.31Å; T271-L301 PolarHBondContact OG1-O 2.9Å; F281-L301 HydrophobicContact CB-CB 4.18Å; F281-L301 WeakPolarHBondContact O-CA 3.48Å; F281-L301 PolarHBondContact O-N 2.78Å; I283-L301 HydrophobicContact CB-CD1 3.94Å; I283-L301 HydrophobicContact CB-CG 4.3Å; I283-L301 HydrophobicContact CG2-CD1 4.1Å; I283-L301 HydrophobicContact CG2-CD2 3.89Å; I283-L301 HydrophobicContact CG2-CG 4.05Å; F299-L301 PolarHBondContact O-N 2.82Å; L301-L303 HydrophobicContact CB-CD2 4.21Å; L301-L303 HydrophobicContact CD1-CD2 4.46Å |
| 302 | K | 94.4 | Very high | 93 | Very high | 121 Ų | 121 | 55.7 Ų | 55.7 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 105.3 | 165.9 | -174.9 | 175 | -177.6 | 172.6 | 0 | 108.9 | T194 S195 C196 T271 | T194-K302 PolarHBondContact O-N 3.35Å; S195-K302 CarbonylContact C-O 3.41Å; S195-K302 WeakPolarHBondContact CA-O 3.18Å; C196-K302 PolarHBondContact N-O 3.4Å; T271-K302 WeakPolarHBondContact OG1-CA 3.38Å |
| 303 | L | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.8 | 177.6 | -61.3 | -165.9 | 0 | 0 | 0 | 110.6 | C196 I198 F263 T268 P270 T271 F281 L301 | C196-L303 HydrophobicContact CB-CD2 3.83Å; C196-L303 CarbonylContact O-C 3.46Å; C196-L303 WeakPolarHBondContact O-CA 3.44Å; I198-L303 HydrophobicContact CD1-CB 4.05Å; I198-L303 HydrophobicContact CG1-CB 3.72Å; I198-L303 HydrophobicContact CG1-CD1 4.24Å; I198-L303 HydrophobicContact CG1-CG 4.45Å; F263-L303 HydrophobicContact CD1-CD1 4.4Å; F263-L303 HydrophobicContact CD1-CD2 4.45Å; F263-L303 HydrophobicContact CE1-CD2 3.92Å; F263-L303 HydrophobicContact CE2-CD2 4.1Å; F263-L303 HydrophobicContact CZ-CD2 3.72Å; T268-L303 HydrophobicContact CG2-CD1 4.18Å; P270-L303 CarbonylContact C-O 3.53Å; P270-L303 VanDerWaalsContact CA-O 3.27Å; P270-L303 WeakPolarHBondContact CA-O 3.47Å; T271-L303 PolarHBondContact N-O 2.9Å; T271-L303 PolarHBondContact OG1-N 2.89Å; F281-L303 HydrophobicContact CB-CD1 4.07Å; F281-L303 HydrophobicContact CB-CG 4.16Å; F281-L303 HydrophobicContact CD1-CD1 3.99Å; F281-L303 HydrophobicContact CD2-CB 4.26Å; F281-L303 HydrophobicContact CD2-CD1 3.47Å; F281-L303 VanDerWaalsContact CD2-CD1 3.47Å; F281-L303 HydrophobicContact CD2-CG 3.77Å; F281-L303 HydrophobicContact CE1-CD1 4.34Å; F281-L303 HydrophobicContact CE2-CD1 3.88Å; F281-L303 HydrophobicContact CE2-CG 4.46Å; F281-L303 HydrophobicContact CG-CD1 3.55Å; F281-L303 HydrophobicContact CG-CG 4.03Å; F281-L303 HydrophobicContact CZ-CD1 4.3Å; L301-L303 HydrophobicContact CB-CD2 4.21Å; L301-L303 HydrophobicContact CD1-CD2 4.46Å |
| 304 | C | 91.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.9 | -176.3 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | Q155 I159 C196 V197 I198 | Q155-C304 VanDerWaalsContact OE1-CB 3.31Å; Q155-C304 PolarHBondContact OE1-SG 3.3Å; I159-C304 HydrophobicContact CD1-CB 3.4Å; I159-C304 HydrophobicContact CG1-CB 4.18Å; C196-C304 PolarHBondContact O-N 2.91Å; V197-C304 WeakPolarHBondContact CA-O 3.49Å; I198-C304 WeakPolarHBondContact CG1-O 3.46Å; I198-C304 PolarHBondContact N-O 3.23Å |
| 305 | R | 88.4 | Confident | 93.3 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | trans | -114.5 | 126.3 | 170.2 | -174.5 | 175.3 | -68.1 | -75 | 3.4 | 108.5 | E116 Q155 P270 | E116-R305 IonicContact OE1-CZ 3.93Å; E116-R305 IonicContact OE1-NE 2.86Å; E116-R305 PolarHBondContact OE1-NE 3.12Å; E116-R305 IonicContact OE1-NH2 3.86Å; E116-R305 PolarHBondContact OE1-NH2 2.69Å; E116-R305 IonicContact OE2-CZ 3.56Å; E116-R305 IonicContact OE2-NE 3.82Å; E116-R305 PolarHBondContact OE2-NE 3.3Å; E116-R305 IonicContact OE2-NH2 3.47Å; Q155-R305 PolarHBondContact N-O 3.12Å; P270-R305 HydrophobicContact CG-CB 3.9Å | ||
| 306 | V | 83.8 | Confident | 93.2 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | trans | -120.2 | 0 | 177.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | P154 I159 V197 | P154-V306 WeakPolarHBondContact CB-OXT 3.46Å; I159-V306 HydrophobicContact CD1-CG1 3.32Å; I159-V306 HydrophobicContact CG1-CG1 4.06Å; V197-V306 HydrophobicContact CB-CG2 4.43Å; V197-V306 HydrophobicContact CG1-CG2 3.7Å; V197-V306 HydrophobicContact CG2-CG1 4.33Å; V197-V306 HydrophobicContact CG2-CG2 3.77Å |
Retrieved 306 of 306 residues in 154.5 ms
(Link to these results)