| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.2 | Very low | 38.8 | Very low | 252 Ų | 252 | 164 Ų | 164 | 100% | 1.241 | 87% | 0.872 | S | S | * | * | 0 | 109.8 | 0 | -73.7 | 177.6 | -176.3 | 0 | 0 | 107.5 | |||||
| 2 | S | 36.3 | Very low | 40.6 | Very low | 99 Ų | 99 | 160.2 Ų | 160.2 | 69% | 0.692 | 86% | 0.863 | S | S | * | * | trans | -117.7 | 124.4 | -161.1 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | H | 39.7 | Very low | 43.5 | Very low | 202 Ų | 202 | 158.4 Ų | 158.4 | 94% | 0.935 | 84% | 0.843 | S | S | * | * | trans | -135.4 | 95.1 | 157.4 | -83 | -43.3 | 0 | 0 | 0 | 109.3 | ||||
| 4 | L | 41.6 | Very low | 46.9 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117 | 165.6 | -81.4 | 151.3 | 0 | 0 | 0 | 108.1 | N6 | L4-N6 PolarHBondContact O-N 3.02Š|
| 5 | G | 36.1 | Very low | 50.1 | Low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 6 | N | 35 | Very low | 52.9 | Low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120 | 173.1 | -145.4 | 4.6 | 0 | 0 | 0 | 108.5 | L4 N8 | L4-N6 PolarHBondContact O-N 3.02Å; N6-N8 PolarHBondContact O-N 3.33Å |
| 7 | R | 38.1 | Very low | 55.6 | Low | 219 Ų | 219 | 132.5 Ų | 132.5 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | trans | -77.5 | 113.3 | 174.9 | -82.9 | 179 | 171.7 | 174.1 | -2.3 | 109 | Q9 | R7-Q9 PolarHBondContact O-N 3.21Š| ||
| 8 | N | 32.4 | Very low | 58 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -55 | 114.2 | 168.6 | -74.9 | -16.4 | 0 | 0 | 0 | 110.3 | N6 A10 | N6-N8 PolarHBondContact O-N 3.33Å; N8-A10 PolarHBondContact O-N 2.88Å | ||
| 9 | Q | 32.4 | Very low | 60.1 | Low | 190 Ų | 190 | 119.1 Ų | 119.1 | 89% | 0.888 | 62% | 0.623 | S | S | * | * | trans | -70.1 | 114 | 155.9 | -69.4 | 178.1 | 10.7 | 0 | 0 | 106.2 | R7 E11 | R7-Q9 PolarHBondContact O-N 3.21Å; Q9-E11 PolarHBondContact O-N 2.74Å | ||
| 10 | A | 45.1 | Very low | 62 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 123.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.1 | N8 | N8-A10 PolarHBondContact O-N 2.88Š|
| 11 | E | 45.3 | Very low | 63.7 | Low | 178 Ų | 178 | 108.5 Ų | 108.5 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 142.7 | 174.5 | -70.3 | -175.8 | 162.4 | 0 | 0 | 110.3 | Q9 K13 | Q9-E11 PolarHBondContact O-N 2.74Å; E11-K13 PolarHBondContact O-N 3.43Å; E11-K13 VanDerWaalsContact O-N 3.09Å |
| 12 | P | 60.4 | Low | 66.3 | Low | 118 Ų | 118 | 96.5 Ų | 96.5 | 77% | 0.766 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 120.2 | -180 | 20.7 | -29.9 | 0 | 0 | 0 | 110 | Y14 | P12-Y14 PolarHBondContact O-N 3.13Š|
| 13 | K | 77.9 | Confident | 69.2 | Low | 137 Ų | 137 | 95.3 Ų | 95.3 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 123.9 | 179.7 | -173.9 | 179.7 | -179.8 | -176.3 | 0 | 109.2 | E11 L15 | E11-K13 PolarHBondContact O-N 3.43Å; E11-K13 VanDerWaalsContact O-N 3.09Å; K13-L15 HydrophobicContact CD-CD2 4.41Å; K13-L15 HydrophobicContact CG-CD2 4.37Å; K13-L15 WeakPolarHBondContact O-CG 3.3Å |
| 14 | Y | 90.9 | Very high | 72 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 131.5 | 171.1 | 175.7 | -108.4 | 0 | 0 | 0 | 110.1 | P12 K17 E40 | P12-Y14 PolarHBondContact O-N 3.13Å; Y14-K17 WeakPolarHBondContact OH-CE 3.42Å; Y14-E40 HydrophobicContact CE1-CB 3.91Å; Y14-E40 WeakPolarHBondContact CE1-OE2 3.44Å; Y14-E40 PolarHBondContact OH-OE2 3.13Å |
| 15 | L | 94.6 | Very high | 74.7 | Confident | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.084 | 42% | 0.42 | C | S | . | . | trans | -114.1 | 14.3 | -173 | -58.5 | 172.3 | 0 | 0 | 0 | 113 | K13 P42 I113 I135 P137 | K13-L15 HydrophobicContact CD-CD2 4.41Å; K13-L15 HydrophobicContact CG-CD2 4.37Å; K13-L15 WeakPolarHBondContact O-CG 3.3Å; L15-P42 HydrophobicContact CD2-CG 4.24Å; L15-I113 WeakPolarHBondContact CD1-O 3.3Å; L15-I135 HydrophobicContact CB-CB 4.05Å; L15-I135 HydrophobicContact CB-CG2 3.93Å; L15-I135 HydrophobicContact CD1-CG2 4.43Å; L15-I135 WeakPolarHBondContact O-CD1 3.37Å; L15-P137 VanDerWaalsContact CD1-CA 3.48Å; L15-P137 HydrophobicContact CD1-CB 4.26Å; L15-P137 HydrophobicContact CD1-CG 4.04Å | ||
| 16 | G | 96.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | 81.7 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q39 E40 C134 I135 | G16-Q39 CarbonylContact C-O 3.56Å; G16-Q39 WeakPolarHBondContact CA-O 3.41Å; G16-E40 VanDerWaalsContact CA-O 3.23Å; G16-E40 WeakPolarHBondContact CA-O 3.38Å; G16-E40 PolarHBondContact N-O 2.8Å; G16-C134 WeakPolarHBondContact O-CA 3.43Å; G16-I135 PolarHBondContact O-N 2.85Å | ||
| 17 | K | 97.7 | Very high | 80.4 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.1 | 179.3 | -63 | 168.7 | -173.7 | 167.1 | 0 | 110.6 | Y14 G38 Q39 T132 R133 | Y14-K17 WeakPolarHBondContact OH-CE 3.42Å; K17-G38 CarbonylContact O-C 3.3Å; K17-G38 WeakPolarHBondContact O-CA 3.37Å; K17-Q39 HydrophobicContact CB-CB 4.36Å; K17-Q39 PolarHBondContact N-O 2.88Å; K17-Q39 PolarHBondContact O-N 2.85Å; K17-T132 HydrophobicContact CB-CG2 3.88Å; K17-T132 HydrophobicContact CD-CG2 4.12Å; K17-T132 HydrophobicContact CG-CG2 4.47Å; K17-R133 CarbonylContact C-O 3.5Å; K17-R133 VanDerWaalsContact CA-O 3.27Å; K17-R133 WeakPolarHBondContact CA-O 3.39Å |
| 18 | L | 98.4 | Very high | 83.1 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.5 | 170.1 | -170.7 | 77.8 | 0 | 0 | 0 | 109.3 | V35 E37 V54 F79 F99 V101 L116 T132 R133 I135 | L18-V35 HydrophobicContact CD1-CG1 4.15Å; L18-E37 WeakPolarHBondContact CD1-O 3.19Å; L18-V54 HydrophobicContact CD1-CG2 4.04Å; L18-V54 HydrophobicContact CD2-CG1 4.31Å; L18-F79 HydrophobicContact CD1-CE2 4.21Å; L18-F99 HydrophobicContact CD2-CB 3.79Å; L18-F99 HydrophobicContact CD2-CD1 3.96Å; L18-F99 HydrophobicContact CD2-CG 3.96Å; L18-V101 HydrophobicContact CD2-CG2 4.46Å; L18-L116 HydrophobicContact CB-CD1 3.69Å; L18-L116 HydrophobicContact CD2-CD1 4.08Å; L18-L116 HydrophobicContact CG-CD1 4.45Å; L18-T132 WeakPolarHBondContact O-CA 3.48Å; L18-R133 PolarHBondContact N-O 3.45Å; L18-R133 PolarHBondContact O-N 3.49Å; L18-I135 HydrophobicContact CB-CD1 4.29Å; L18-I135 HydrophobicContact CB-CG1 4.13Å |
| 19 | S | 98.5 | Very high | 86.2 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.3 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | V36 E37 L131 T132 | S19-V36 WeakPolarHBondContact O-CB 3.34Å; S19-V36 PolarHBondContact O-N 2.77Å; S19-E37 PolarHBondContact N-O 3.36Å; S19-E37 PolarHBondContact O-N 2.93Å; S19-L131 CarbonylContact C-O 3.48Å; S19-L131 WeakPolarHBondContact CA-O 3.45Å; S19-T132 WeakPolarHBondContact OG-CG2 3.24Å; S19-T132 PolarHBondContact OG-OG1 3.04Å |
| 20 | Y | 98.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 157.5 | 180 | 61.7 | -86.9 | 0 | 0 | 0 | 111.8 | L22 T34 F99 L116 V118 L131 R133 | Y20-L22 HydrophobicContact CD2-CD1 4.35Å; Y20-L22 HydrophobicContact CD2-CD2 3.89Å; Y20-L22 HydrophobicContact CD2-CG 3.89Å; Y20-L22 HydrophobicContact CE2-CD1 3.93Å; Y20-L22 HydrophobicContact CE2-CD2 4.27Å; Y20-L22 HydrophobicContact CE2-CG 3.96Å; Y20-T34 CarbonylContact C-O 3.52Å; Y20-T34 WeakPolarHBondContact CA-O 3.08Å; Y20-T34 WeakPolarHBondContact CB-O 3.23Å; Y20-F99 HydrophobicContact CD1-CE2 4.3Å; Y20-F99 HydrophobicContact CD1-CZ 4.29Å; Y20-F99 HydrophobicContact CD2-CE2 4.16Å; Y20-F99 AromaticContact CD2-CZ 3.8Å; Y20-F99 HydrophobicContact CD2-CZ 3.8Å; Y20-F99 HydrophobicContact CE1-CE2 4.47Å; Y20-F99 HydrophobicContact CE2-CE2 4.33Å; Y20-F99 HydrophobicContact CE2-CZ 4.39Å; Y20-F99 HydrophobicContact CG-CE1 4.34Å; Y20-F99 HydrophobicContact CG-CE2 4.15Å; Y20-F99 AromaticContact CG-CZ 3.75Å; Y20-F99 HydrophobicContact CG-CZ 3.75Å; Y20-L116 HydrophobicContact CD1-CD1 4.46Å; Y20-L116 HydrophobicContact CE1-CD1 4.17Å; Y20-V118 HydrophobicContact CE2-CG2 4.3Å; Y20-V118 VanDerWaalsContact OH-CG2 3.28Å; Y20-V118 WeakPolarHBondContact OH-CG2 2.93Å; Y20-L131 HydrophobicContact CE1-CB 4.04Å; Y20-L131 HydrophobicContact CE2-CB 3.98Å; Y20-L131 HydrophobicContact CE2-CD1 3.96Å; Y20-L131 PolarHBondContact N-O 3.47Å; Y20-L131 PolarHBondContact O-N 3.03Å; Y20-L131 VanDerWaalsContact OH-CD1 3.3Å; Y20-L131 WeakPolarHBondContact OH-CD1 3.39Å; Y20-R133 HydrophobicContact CE1-CG 4.27Å; Y20-R133 WeakPolarHBondContact OH-CD 3.46Å; Y20-R133 PolarHBondContact OH-NE 2.65Å; Y20-R133 VanDerWaalsContact OH-NE 3.15Å |
| 21 | V | 98.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.8 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | T34 V36 V128 V129 R130 | V21-T34 PolarHBondContact N-O 3.44Å; V21-T34 PolarHBondContact O-N 3.17Å; V21-V36 HydrophobicContact CG2-CG2 3.72Å; V21-V128 HydrophobicContact CG1-CG1 3.37Å; V21-V129 CarbonylContact C-O 3.59Å; V21-V129 VanDerWaalsContact CA-O 3.25Å; V21-V129 WeakPolarHBondContact CA-O 2.94Å; V21-R130 HydrophobicContact CG1-CG 4.02Å; V21-R130 HydrophobicContact CG2-CG 3.99Å |
| 22 | L | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.1 | 172.9 | -51.4 | 179.2 | 0 | 0 | 0 | 108.8 | Y20 L31 V33 L97 L120 V123 L125 V129 | Y20-L22 HydrophobicContact CD2-CD1 4.35Å; Y20-L22 HydrophobicContact CD2-CD2 3.89Å; Y20-L22 HydrophobicContact CD2-CG 3.89Å; Y20-L22 HydrophobicContact CE2-CD1 3.93Å; Y20-L22 HydrophobicContact CE2-CD2 4.27Å; Y20-L22 HydrophobicContact CE2-CG 3.96Å; L22-L31 HydrophobicContact CB-CD1 4.47Å; L22-V33 HydrophobicContact CD2-CB 4.29Å; L22-V33 HydrophobicContact CD2-CG1 3.93Å; L22-V33 HydrophobicContact CD2-CG2 3.94Å; L22-L97 HydrophobicContact CD1-CD2 4.33Å; L22-L97 HydrophobicContact CD2-CD2 3.37Å; L22-L120 HydrophobicContact CD1-CD2 4.42Å; L22-V123 HydrophobicContact CD1-CG1 4.08Å; L22-V123 HydrophobicContact CD1-CG2 4.4Å; L22-L125 HydrophobicContact CB-CD2 3.92Å; L22-V129 HydrophobicContact CB-CB 4.3Å; L22-V129 PolarHBondContact N-O 3.42Å; L22-V129 PolarHBondContact O-N 3.48Å |
| 23 | D | 97.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 134.5 | 176.5 | -178.4 | 22.2 | 0 | 0 | 0 | 108.7 | A32 V128 | D23-A32 HydrophobicContact CB-CB 4.36Å; D23-A32 PolarHBondContact N-O 3.31Å; D23-A32 PolarHBondContact O-N 3.29Å; D23-V128 HydrophobicContact CB-CG2 4.21Å |
| 24 | Y | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.8 | -177.2 | -168.1 | -97.6 | 0 | 0 | 0 | 111.1 | F26 G29 Q30 L31 V87 P88 Y89 L92 | Y24-F26 AromaticContact CD1-CD1 3.74Å; Y24-F26 HydrophobicContact CD1-CD1 3.74Å; Y24-F26 AromaticContact CD1-CD2 3.98Å; Y24-F26 HydrophobicContact CD1-CD2 3.98Å; Y24-F26 AromaticContact CD1-CE1 3.84Å; Y24-F26 HydrophobicContact CD1-CE1 3.84Å; Y24-F26 HydrophobicContact CD1-CE2 4.06Å; Y24-F26 AromaticContact CD1-CG 3.81Å; Y24-F26 HydrophobicContact CD1-CG 3.81Å; Y24-F26 HydrophobicContact CD1-CZ 4Å; Y24-F26 AromaticContact CE1-CD1 3.85Å; Y24-F26 HydrophobicContact CE1-CD1 3.85Å; Y24-F26 HydrophobicContact CE1-CE1 4.22Å; Y24-F26 HydrophobicContact CE1-CG 4.12Å; Y24-F26 WeakPolarHBondContact O-CD2 3.36Å; Y24-F26 PolarHBondContact O-N 3.19Å; Y24-G29 VanDerWaalsContact OH-CA 3.27Å; Y24-G29 WeakPolarHBondContact OH-CA 3.28Å; Y24-Q30 WeakPolarHBondContact CA-O 3.41Å; Y24-Q30 VanDerWaalsContact CD2-O 3.29Å; Y24-Q30 WeakPolarHBondContact CD2-O 3.48Å; Y24-L31 HydrophobicContact CD2-CB 3.92Å; Y24-L31 HydrophobicContact CD2-CD1 4.2Å; Y24-L31 HydrophobicContact CE2-CB 4.29Å; Y24-V87 WeakPolarHBondContact CE2-O 3.29Å; Y24-V87 PolarHBondContact OH-O 3.26Å; Y24-P88 VanDerWaalsContact OH-C 3.32Å; Y24-Y89 AromaticContact CD1-CD2 3.79Å; Y24-Y89 HydrophobicContact CD1-CD2 3.79Å; Y24-Y89 AromaticContact CE1-CD2 3.64Å; Y24-Y89 HydrophobicContact CE1-CD2 3.64Å; Y24-Y89 HydrophobicContact CE1-CG 4.15Å; Y24-Y89 HydrophobicContact CG-CD2 4.42Å; Y24-Y89 WeakPolarHBondContact OH-CA 3.45Å; Y24-Y89 PolarHBondContact OH-N 3.13Å; Y24-L92 HydrophobicContact CD2-CD1 3.73Å; Y24-L92 HydrophobicContact CE2-CD1 3.59Å; Y24-L92 HydrophobicContact CE2-CD2 4.48Å; Y24-L92 HydrophobicContact CE2-CG 4.37Å; Y24-L92 HydrophobicContact CG-CD1 4.33Å |
| 25 | D | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 100.6 | 173.1 | -175 | -30 | 0 | 0 | 0 | 108.7 | E27 K28 G29 Q30 | D25-E27 VanDerWaalsContact C-N 3.29Å; D25-E27 PolarHBondContact O-N 3.24Å; D25-E27 WeakPolarHBondContact OD1-CB 3.21Å; D25-E27 PolarHBondContact OD1-N 3.05Å; D25-K28 HydrophobicContact CB-CB 4.32Å; D25-K28 PolarHBondContact O-N 3.1Å; D25-K28 PolarHBondContact OD1-N 3.37Å; D25-K28 WeakPolarHBondContact OD2-CD 3.16Å; D25-K28 VanDerWaalsContact OD2-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CG 3.45Å; D25-K28 IonicContact OD2-NZ 3.8Å; D25-K28 PolarHBondContact OD2-NZ 3.02Å; D25-G29 WeakPolarHBondContact O-CA 3.41Å; D25-G29 PolarHBondContact O-N 2.88Å; D25-Q30 HydrophobicContact CB-CB 4.44Å; D25-Q30 PolarHBondContact N-O 3.13Å; D25-Q30 PolarHBondContact O-N 3.17Å; D25-Q30 VanDerWaalsContact O-N 3.13Å |
| 26 | F | 95.5 | Very high | 97.6 | Very high | 112 Ų | 112 | 38.4 Ų | 38.4 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -29.3 | 179.6 | -68.8 | -89.3 | 0 | 0 | 0 | 113.2 | Y24 Y89 L125 | Y24-F26 AromaticContact CD1-CD1 3.74Å; Y24-F26 HydrophobicContact CD1-CD1 3.74Å; Y24-F26 AromaticContact CD1-CD2 3.98Å; Y24-F26 HydrophobicContact CD1-CD2 3.98Å; Y24-F26 AromaticContact CD1-CE1 3.84Å; Y24-F26 HydrophobicContact CD1-CE1 3.84Å; Y24-F26 HydrophobicContact CD1-CE2 4.06Å; Y24-F26 AromaticContact CD1-CG 3.81Å; Y24-F26 HydrophobicContact CD1-CG 3.81Å; Y24-F26 HydrophobicContact CD1-CZ 4Å; Y24-F26 AromaticContact CE1-CD1 3.85Å; Y24-F26 HydrophobicContact CE1-CD1 3.85Å; Y24-F26 HydrophobicContact CE1-CE1 4.22Å; Y24-F26 HydrophobicContact CE1-CG 4.12Å; Y24-F26 WeakPolarHBondContact O-CD2 3.36Å; Y24-F26 PolarHBondContact O-N 3.19Å; F26-Y89 HydrophobicContact CD1-CD2 4.13Å; F26-Y89 HydrophobicContact CD1-CG 4.42Å; F26-Y89 AromaticContact CE1-CD2 3.47Å; F26-Y89 HydrophobicContact CE1-CD2 3.47Å; F26-Y89 VanDerWaalsContact CE1-CD2 3.47Å; F26-Y89 AromaticContact CE1-CE2 3.46Å; F26-Y89 HydrophobicContact CE1-CE2 3.46Å; F26-Y89 VanDerWaalsContact CE1-CE2 3.46Å; F26-Y89 HydrophobicContact CE1-CG 4.03Å; F26-Y89 HydrophobicContact CZ-CD2 4.2Å; F26-Y89 AromaticContact CZ-CE2 3.87Å; F26-Y89 HydrophobicContact CZ-CE2 3.87Å; F26-L125 WeakPolarHBondContact CE2-O 3.49Å; F26-L125 WeakPolarHBondContact CZ-O 3.42Å |
| 27 | E | 95.5 | Very high | 97.8 | Very high | 188 Ų | 188 | 41.2 Ų | 41.2 | 88% | 0.879 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -40.6 | 179.1 | -61.6 | -174.4 | 163.9 | 0 | 0 | 111.1 | D25 | D25-E27 VanDerWaalsContact C-N 3.29Å; D25-E27 PolarHBondContact O-N 3.24Å; D25-E27 WeakPolarHBondContact OD1-CB 3.21Å; D25-E27 PolarHBondContact OD1-N 3.05Å |
| 28 | K | 96.4 | Very high | 97.8 | Very high | 132 Ų | 132 | 38 Ų | 38 | 57% | 0.574 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.4 | -178.2 | -60 | -168.5 | -165.5 | 96.5 | 0 | 114.1 | D25 Q30 | D25-K28 HydrophobicContact CB-CB 4.32Å; D25-K28 PolarHBondContact O-N 3.1Å; D25-K28 PolarHBondContact OD1-N 3.37Å; D25-K28 WeakPolarHBondContact OD2-CD 3.16Å; D25-K28 VanDerWaalsContact OD2-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CG 3.45Å; D25-K28 IonicContact OD2-NZ 3.8Å; D25-K28 PolarHBondContact OD2-NZ 3.02Å; K28-Q30 HydrophobicContact CB-CB 4.35Å; K28-Q30 HydrophobicContact CB-CG 4.02Å |
| 29 | G | 96.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 47.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y24 D25 V87 | Y24-G29 VanDerWaalsContact OH-CA 3.27Å; Y24-G29 WeakPolarHBondContact OH-CA 3.28Å; D25-G29 WeakPolarHBondContact O-CA 3.41Å; D25-G29 PolarHBondContact O-N 2.88Å; G29-V87 CarbonylContact C-O 3.27Å; G29-V87 CarbonylContact O-C 3.47Å; G29-V87 PolarHBondContact O-N 3.4Å; G29-V87 VanDerWaalsContact O-O 3.04Å |
| 30 | Q | 97.2 | Very high | 97.7 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.6 | -170.1 | -72.1 | 176.3 | 20.5 | 0 | 0 | 112.4 | Y24 D25 K28 V84 F85 K86 | Y24-Q30 WeakPolarHBondContact CA-O 3.41Å; Y24-Q30 VanDerWaalsContact CD2-O 3.29Å; Y24-Q30 WeakPolarHBondContact CD2-O 3.48Å; D25-Q30 HydrophobicContact CB-CB 4.44Å; D25-Q30 PolarHBondContact N-O 3.13Å; D25-Q30 PolarHBondContact O-N 3.17Å; D25-Q30 VanDerWaalsContact O-N 3.13Å; K28-Q30 HydrophobicContact CB-CB 4.35Å; K28-Q30 HydrophobicContact CB-CG 4.02Å; Q30-V84 HydrophobicContact CB-CG1 3.85Å; Q30-V84 HydrophobicContact CG-CG1 4.02Å; Q30-F85 CarbonylContact C-O 3.49Å; Q30-F85 VanDerWaalsContact CA-O 3.3Å; Q30-F85 WeakPolarHBondContact CA-O 3.4Å; Q30-K86 HydrophobicContact CG-CG 4.12Å |
| 31 | L | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111.8 | 169.8 | -179.7 | 68.1 | 0 | 0 | 0 | 109.3 | L22 Y24 V33 F85 V87 L92 L120 L125 | L22-L31 HydrophobicContact CB-CD1 4.47Å; Y24-L31 HydrophobicContact CD2-CB 3.92Å; Y24-L31 HydrophobicContact CD2-CD1 4.2Å; Y24-L31 HydrophobicContact CE2-CB 4.29Å; L31-V33 HydrophobicContact CD2-CG2 4Å; L31-V33 HydrophobicContact CG-CG2 3.9Å; L31-F85 HydrophobicContact CB-CB 4.39Å; L31-F85 PolarHBondContact N-O 3.26Å; L31-F85 PolarHBondContact O-N 3.02Å; L31-V87 HydrophobicContact CB-CG1 4Å; L31-L92 HydrophobicContact CD2-CD2 4.25Å; L31-L120 HydrophobicContact CD2-CD1 3.96Å; L31-L120 HydrophobicContact CD2-CD2 4.14Å; L31-L125 HydrophobicContact CD1-CD1 4.14Å; L31-L125 HydrophobicContact CD1-CD2 4.12Å |
| 32 | A | 98 | Very high | 97.4 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D23 T82 F83 | D23-A32 HydrophobicContact CB-CB 4.36Å; D23-A32 PolarHBondContact N-O 3.31Å; D23-A32 PolarHBondContact O-N 3.29Å; A32-T82 HydrophobicContact CB-CG2 4.13Å; A32-F83 WeakPolarHBondContact CA-O 3.2Å |
| 33 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109.5 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L22 L31 V56 T82 F83 F85 L97 F99 | L22-V33 HydrophobicContact CD2-CB 4.29Å; L22-V33 HydrophobicContact CD2-CG1 3.93Å; L22-V33 HydrophobicContact CD2-CG2 3.94Å; L31-V33 HydrophobicContact CD2-CG2 4Å; L31-V33 HydrophobicContact CG-CG2 3.9Å; V33-V56 HydrophobicContact CG1-CG1 4.03Å; V33-T82 CarbonylContact O-C 3.48Å; V33-T82 WeakPolarHBondContact O-CA 3.06Å; V33-F83 PolarHBondContact N-O 2.54Å; V33-F83 PolarHBondContact O-N 2.81Å; V33-F85 HydrophobicContact CB-CE2 4.38Å; V33-F85 HydrophobicContact CG2-CD2 3.86Å; V33-F85 HydrophobicContact CG2-CE2 3.89Å; V33-L97 HydrophobicContact CG1-CD1 4.47Å; V33-L97 HydrophobicContact CG1-CD2 3.92Å; V33-L97 HydrophobicContact CG2-CD1 4.09Å; V33-L97 HydrophobicContact CG2-CD2 3.83Å; V33-F99 HydrophobicContact CG1-CE1 3.58Å; V33-F99 HydrophobicContact CG1-CZ 3.65Å |
| 34 | T | 98.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.7 | 174.6 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | Y20 V21 V36 E81 T82 | Y20-T34 CarbonylContact C-O 3.52Å; Y20-T34 WeakPolarHBondContact CA-O 3.08Å; Y20-T34 WeakPolarHBondContact CB-O 3.23Å; V21-T34 PolarHBondContact N-O 3.44Å; V21-T34 PolarHBondContact O-N 3.17Å; T34-V36 HydrophobicContact CG2-CG2 4.21Å; T34-E81 CarbonylContact C-O 3.58Å; T34-E81 WeakPolarHBondContact CA-O 3.41Å; T34-T82 PolarHBondContact OG1-OG1 3.5Å |
| 35 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 114.3 | 166.2 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | L18 V54 V56 T68 F79 N80 E81 F83 F99 | L18-V35 HydrophobicContact CD1-CG1 4.15Å; V35-V54 HydrophobicContact CG1-CB 4.25Å; V35-V54 HydrophobicContact CG1-CG2 4.04Å; V35-V56 HydrophobicContact CG2-CG2 3.68Å; V35-T68 HydrophobicContact CB-CG2 4.02Å; V35-T68 HydrophobicContact CG1-CG2 4.13Å; V35-T68 HydrophobicContact CG2-CG2 4.12Å; V35-F79 HydrophobicContact CB-CB 4.45Å; V35-F79 HydrophobicContact CG1-CB 4.18Å; V35-F79 HydrophobicContact CG1-CD2 3.65Å; V35-F79 HydrophobicContact CG1-CE2 4.27Å; V35-F79 HydrophobicContact CG1-CG 4.04Å; V35-F79 WeakPolarHBondContact O-CB 3.32Å; V35-N80 WeakPolarHBondContact O-CA 3.24Å; V35-N80 PolarHBondContact O-N 2.88Å; V35-E81 PolarHBondContact N-O 3.15Å; V35-E81 PolarHBondContact O-N 2.75Å; V35-E81 VanDerWaalsContact O-N 3.07Å; V35-F83 HydrophobicContact CG2-CD2 4.38Å; V35-F83 HydrophobicContact CG2-CE2 4.07Å; V35-F99 HydrophobicContact CG2-CD1 4.17Å; V35-F99 HydrophobicContact CG2-CE1 4.08Å |
| 36 | V | 98.7 | Very high | 95 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -66.8 | -172.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S19 V21 T34 F79 N80 | S19-V36 WeakPolarHBondContact O-CB 3.34Å; S19-V36 PolarHBondContact O-N 2.77Å; V21-V36 HydrophobicContact CG2-CG2 3.72Å; T34-V36 HydrophobicContact CG2-CG2 4.21Å; V36-F79 PolarHBondContact O-N 2.87Å; V36-N80 PolarHBondContact O-N 2.79Å |
| 37 | E | 98.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.4 | -174.6 | 60.7 | 178.3 | -159.1 | 0 | 0 | 111.9 | L18 S19 Q39 P77 V78 | L18-E37 WeakPolarHBondContact CD1-O 3.19Å; S19-E37 PolarHBondContact N-O 3.36Å; S19-E37 PolarHBondContact O-N 2.93Å; E37-Q39 PolarHBondContact OE1-NE2 3.44Å; E37-P77 CarbonylContact C-O 3.28Å; E37-P77 WeakPolarHBondContact CA-O 3.39Å; E37-P77 VanDerWaalsContact CB-O 3.28Å; E37-P77 WeakPolarHBondContact CB-O 3.49Å; E37-V78 HydrophobicContact CB-CG2 4.38Å |
| 38 | G | 98.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K17 N76 P77 | K17-G38 CarbonylContact O-C 3.3Å; K17-G38 WeakPolarHBondContact O-CA 3.37Å; G38-N76 CarbonylContact O-C 3.49Å; G38-N76 VanDerWaalsContact O-CA 3.22Å; G38-N76 WeakPolarHBondContact O-CA 3.44Å; G38-P77 PolarHBondContact N-O 3.01Å |
| 39 | Q | 98.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.4 | 177.5 | -60.7 | 174.6 | 6 | 0 | 0 | 109.5 | G16 K17 E37 L41 N76 | G16-Q39 CarbonylContact C-O 3.56Å; G16-Q39 WeakPolarHBondContact CA-O 3.41Å; K17-Q39 HydrophobicContact CB-CB 4.36Å; K17-Q39 PolarHBondContact N-O 2.88Å; K17-Q39 PolarHBondContact O-N 2.85Å; E37-Q39 PolarHBondContact OE1-NE2 3.44Å; Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 2.81Å; Q39-N76 WeakPolarHBondContact CA-OD1 3.28Å |
| 40 | E | 96.9 | Very high | 93.6 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 53 | 40.7 | 174.4 | -59.2 | 167.1 | -163.4 | 0 | 0 | 113.3 | Y14 G16 L75 N76 | Y14-E40 HydrophobicContact CE1-CB 3.91Å; Y14-E40 WeakPolarHBondContact CE1-OE2 3.44Å; Y14-E40 PolarHBondContact OH-OE2 3.13Å; G16-E40 VanDerWaalsContact CA-O 3.23Å; G16-E40 WeakPolarHBondContact CA-O 3.38Å; G16-E40 PolarHBondContact N-O 2.8Å; E40-L75 PolarHBondContact N-O 2.86Å; E40-N76 PolarHBondContact N-OD1 2.82Å |
| 41 | L | 97 | Very high | 93.5 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 149 | 174.8 | -59.4 | -176.7 | 0 | 0 | 0 | 110.2 | Q39 P52 L75 P77 V101 I135 | Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 2.81Å; L41-P52 HydrophobicContact CD1-CB 3.56Å; L41-P52 HydrophobicContact CD1-CG 3.98Å; L41-L75 HydrophobicContact CB-CB 4.48Å; L41-L75 WeakPolarHBondContact CB-O 3.17Å; L41-L75 WeakPolarHBondContact CG-O 3.4Å; L41-L75 PolarHBondContact N-O 2.83Å; L41-L75 WeakPolarHBondContact O-CB 3.06Å; L41-L75 WeakPolarHBondContact O-CD1 3.21Å; L41-L75 WeakPolarHBondContact O-CD2 3.39Å; L41-P77 HydrophobicContact CD1-CG 3.77Å; L41-V101 HydrophobicContact CD1-CG1 4.31Å; L41-V101 HydrophobicContact CD2-CG1 4.42Å; L41-I135 HydrophobicContact CD2-CD1 3.29Å |
| 42 | P | 93.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 145.5 | 174.4 | 28.8 | -34.4 | 0 | 0 | 0 | 110.7 | L15 M44 S50 I113 | L15-P42 HydrophobicContact CD2-CG 4.24Å; P42-M44 HydrophobicContact CB-SD 4.29Å; P42-M44 HydrophobicContact CG-SD 4.14Å; P42-M44 PolarHBondContact O-N 2.9Å; P42-S50 PolarHBondContact O-OG 3.18Å; P42-I113 HydrophobicContact CG-CB 4.47Å; P42-I113 HydrophobicContact CG-CG1 4.31Å; P42-I113 HydrophobicContact CG-CG2 3.57Å |
| 43 | A | 92.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 119.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G48 T49 S50 L75 | A43-G48 VanDerWaalsContact CB-O 3.32Å; A43-G48 WeakPolarHBondContact CB-O 3.24Å; A43-T49 WeakPolarHBondContact CA-O 3.35Å; A43-S50 WeakPolarHBondContact CA-OG 3.35Å; A43-L75 HydrophobicContact CB-CD2 4.34Å |
| 44 | M | 87.3 | Confident | 93.5 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | trans | -106.8 | -27.2 | -180 | -63.8 | -55.5 | -64.9 | 0 | 0 | 111 | P42 T49 S50 D103 D111 I113 | P42-M44 HydrophobicContact CB-SD 4.29Å; P42-M44 HydrophobicContact CG-SD 4.14Å; P42-M44 PolarHBondContact O-N 2.9Å; M44-T49 PolarHBondContact N-O 2.96Å; M44-S50 PolarHBondContact N-OG 2.97Å; M44-D103 HydrophobicContact CB-CB 3.75Å; M44-D103 WeakPolarHBondContact CB-OD2 3.34Å; M44-D103 HydrophobicContact CG-CB 3.98Å; M44-D111 HydrophobicContact CE-CB 3.85Å; M44-I113 HydrophobicContact CG-CD1 4.23Å; M44-I113 HydrophobicContact CG-CG1 3.71Å; M44-I113 HydrophobicContact SD-CG1 4.41Å | ||
| 45 | D | 82.6 | Confident | 93.4 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -80.2 | 151.5 | 171.9 | -73.3 | -47.4 | 0 | 0 | 0 | 112.8 | S47 G48 T49 | D45-S47 WeakPolarHBondContact CB-OG 3.47Å; D45-S47 PolarHBondContact O-N 2.88Å; D45-G48 PolarHBondContact O-N 2.82Å; D45-T49 WeakPolarHBondContact CB-O 3.35Å; D45-T49 PolarHBondContact N-O 2.97Å |
| 46 | F | 79.8 | Confident | 93.4 | Very high | 228 Ų | 228 | 42.1 Ų | 42.1 | 100% | 1 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18 | 167.7 | -67.2 | -76.9 | 0 | 0 | 0 | 114 | G48 | F46-G48 PolarHBondContact O-N 2.99Š|
| 47 | S | 82.1 | Confident | 93.2 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 49% | 0.49 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.1 | 177 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | D45 T49 | D45-S47 WeakPolarHBondContact CB-OG 3.47Å; D45-S47 PolarHBondContact O-N 2.88Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact OG-N 3.26Å; S47-T49 PolarHBondContact OG-OG1 3.28Å |
| 48 | G | 86.1 | Confident | 92.9 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 46% | 0.464 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 79.6 | 12.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A43 D45 F46 | A43-G48 VanDerWaalsContact CB-O 3.32Å; A43-G48 WeakPolarHBondContact CB-O 3.24Å; D45-G48 PolarHBondContact O-N 2.82Å; F46-G48 PolarHBondContact O-N 2.99Å |
| 49 | T | 91.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -130.8 | -169.1 | 174 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | A43 M44 D45 S47 K73 | A43-T49 WeakPolarHBondContact CA-O 3.35Å; M44-T49 PolarHBondContact N-O 2.96Å; D45-T49 WeakPolarHBondContact CB-O 3.35Å; D45-T49 PolarHBondContact N-O 2.97Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact OG-N 3.26Å; S47-T49 PolarHBondContact OG-OG1 3.28Å; T49-K73 WeakPolarHBondContact OG1-CA 3.07Å; T49-K73 WeakPolarHBondContact OG1-CB 3.44Å |
| 50 | S | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -139.5 | 162.4 | 171 | -61.9 | 0 | 0 | 0 | 0 | 107.9 | P42 A43 M44 P52 K73 T74 D103 | P42-S50 PolarHBondContact O-OG 3.18Å; A43-S50 WeakPolarHBondContact CA-OG 3.35Å; M44-S50 PolarHBondContact N-OG 2.97Å; S50-P52 WeakPolarHBondContact O-CD 3.33Å; S50-K73 CarbonylContact O-C 3.03Å; S50-K73 VanDerWaalsContact O-CA 3.24Å; S50-K73 WeakPolarHBondContact O-CA 3.4Å; S50-K73 PolarHBondContact O-N 2.88Å; S50-K73 VanDerWaalsContact O-N 3.09Å; S50-T74 PolarHBondContact O-N 3.42Å; S50-D103 WeakPolarHBondContact CA-OD1 3.46Å; S50-D103 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 51 | D | 95.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | -104.5 | 67.5 | 168.7 | -72.5 | -14.4 | 0 | 0 | 0 | 110.2 | V70 H71 R72 K73 D103 F104 | D51-V70 HydrophobicContact CB-CG1 3.93Å; D51-H71 CarbonylContact C-O 3.43Å; D51-H71 VanDerWaalsContact C-O 3.28Å; D51-H71 WeakPolarHBondContact CA-O 3.35Å; D51-R72 WeakPolarHBondContact OD1-CA 3.25Å; D51-K73 PolarHBondContact OD1-N 3.04Å; D51-D103 WeakPolarHBondContact CA-OD1 3.23Å; D51-D103 PolarHBondContact N-OD1 3.46Å; D51-F104 HydrophobicContact CB-CB 3.92Å; D51-F104 WeakPolarHBondContact O-CB 3.47Å; D51-F104 PolarHBondContact O-N 2.93Å | ||
| 52 | P | 97.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 145.1 | -167.6 | 27.4 | -39.6 | 0 | 0 | 0 | 114.9 | L41 S50 H71 T74 P77 F79 Y102 | L41-P52 HydrophobicContact CD1-CB 3.56Å; L41-P52 HydrophobicContact CD1-CG 3.98Å; S50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-H71 WeakPolarHBondContact CD-O 3.33Å; P52-H71 HydrophobicContact CG-CB 4.47Å; P52-H71 PolarHBondContact O-N 3.11Å; P52-T74 WeakPolarHBondContact CD-O 3.39Å; P52-T74 HydrophobicContact CG-CG2 3.96Å; P52-T74 WeakPolarHBondContact CG-O 3.49Å; P52-P77 HydrophobicContact CB-CG 4Å; P52-P77 HydrophobicContact CG-CB 3.73Å; P52-P77 HydrophobicContact CG-CG 3.52Å; P52-F79 HydrophobicContact CB-CZ 4.41Å; P52-Y102 CarbonylContact C-O 3.57Å; P52-Y102 VanDerWaalsContact CA-O 3.25Å; P52-Y102 WeakPolarHBondContact CA-O 3.37Å |
| 53 | Y | 98.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.2 | 165.4 | 74.4 | -83 | 0 | 0 | 0 | 111.4 | K55 Q67 T68 V70 Y102 F104 N110 | Y53-K55 HydrophobicContact CD2-CG 4.46Å; Y53-K55 HydrophobicContact CE2-CD 4.39Å; Y53-K55 HydrophobicContact CE2-CG 3.9Å; Y53-Q67 VanDerWaalsContact CD2-CD 3.42Å; Y53-Q67 HydrophobicContact CD2-CG 3.4Å; Y53-Q67 VanDerWaalsContact CD2-CG 3.4Å; Y53-Q67 HydrophobicContact CE2-CG 3.73Å; Y53-Q67 VanDerWaalsContact CE2-OE1 3.27Å; Y53-T68 WeakPolarHBondContact CA-OG1 3.36Å; Y53-V70 HydrophobicContact CD1-CG2 4.08Å; Y53-V70 HydrophobicContact CG-CG2 4.13Å; Y53-Y102 HydrophobicContact CE1-CG 4.15Å; Y53-Y102 HydrophobicContact CE2-CD2 4.11Å; Y53-Y102 HydrophobicContact CE2-CG 4.26Å; Y53-Y102 AromaticContact CZ-CG 3.77Å; Y53-Y102 PolarHBondContact N-O 3.23Å; Y53-Y102 PolarHBondContact O-N 3.32Å; Y53-F104 HydrophobicContact CD1-CB 3.99Å; Y53-F104 HydrophobicContact CE1-CB 4.04Å; Y53-F104 HydrophobicContact CE1-CD2 4.48Å; Y53-N110 HydrophobicContact CE1-CB 4.37Å; Y53-N110 WeakPolarHBondContact CE1-ND2 3.4Å; Y53-N110 PolarHBondContact OH-ND2 2.95Å |
| 54 | V | 98.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.2 | -175.5 | -172 | 0 | 0 | 0 | 0 | 110.7 | L18 V35 V56 Q67 T68 F79 F99 S100 V101 | L18-V54 HydrophobicContact CD1-CG2 4.04Å; L18-V54 HydrophobicContact CD2-CG1 4.31Å; V35-V54 HydrophobicContact CG1-CB 4.25Å; V35-V54 HydrophobicContact CG1-CG2 4.04Å; V54-V56 HydrophobicContact CG1-CG2 4.15Å; V54-Q67 WeakPolarHBondContact O-CA 3.36Å; V54-T68 HydrophobicContact CB-CG2 4.01Å; V54-T68 PolarHBondContact N-OG1 2.86Å; V54-T68 PolarHBondContact O-N 2.83Å; V54-F79 HydrophobicContact CG2-CE1 4.36Å; V54-F79 HydrophobicContact CG2-CE2 3.86Å; V54-F79 HydrophobicContact CG2-CZ 3.76Å; V54-F99 HydrophobicContact CG1-CB 3.94Å; V54-F99 HydrophobicContact CG1-CD1 4.21Å; V54-S100 WeakPolarHBondContact CA-O 3.36Å; V54-V101 HydrophobicContact CG2-CG2 4.27Å |
| 55 | K | 97.1 | Very high | 88 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.2 | 166.5 | -65.7 | -174 | -175.3 | 176.9 | 0 | 109.9 | Y53 F66 Q67 F99 S100 Y102 | Y53-K55 HydrophobicContact CD2-CG 4.46Å; Y53-K55 HydrophobicContact CE2-CD 4.39Å; Y53-K55 HydrophobicContact CE2-CG 3.9Å; K55-F66 CarbonylContact C-O 3.52Å; K55-F66 VanDerWaalsContact CA-O 3.32Å; K55-F66 WeakPolarHBondContact CA-O 3.23Å; K55-Q67 HydrophobicContact CG-CG 4.1Å; K55-F99 CarbonylContact O-C 3.59Å; K55-F99 WeakPolarHBondContact O-CA 3.45Å; K55-S100 PolarHBondContact N-O 2.89Å; K55-S100 PolarHBondContact O-N 2.73Å; K55-Y102 HydrophobicContact CB-CE2 4.3Å; K55-Y102 HydrophobicContact CD-CD2 4.2Å; K55-Y102 HydrophobicContact CD-CE2 3.72Å; K55-Y102 HydrophobicContact CG-CD2 4.13Å; K55-Y102 HydrophobicContact CG-CE2 4.01Å |
| 56 | V | 97.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.5 | -178.2 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | V33 V35 V54 R65 F66 F83 F85 L97 T98 F99 | V33-V56 HydrophobicContact CG1-CG1 4.03Å; V35-V56 HydrophobicContact CG2-CG2 3.68Å; V54-V56 HydrophobicContact CG1-CG2 4.15Å; V56-R65 WeakPolarHBondContact O-CA 3.49Å; V56-F66 HydrophobicContact CB-CB 4.49Å; V56-F66 PolarHBondContact N-O 2.99Å; V56-F66 PolarHBondContact O-N 2.81Å; V56-F83 HydrophobicContact CB-CD2 4.37Å; V56-F83 HydrophobicContact CG2-CD2 4.04Å; V56-F83 HydrophobicContact CG2-CE2 4.12Å; V56-F85 HydrophobicContact CG1-CE2 3.94Å; V56-F85 HydrophobicContact CG1-CZ 3.98Å; V56-L97 HydrophobicContact CG1-CD1 3.7Å; V56-T98 WeakPolarHBondContact CA-O 3.33Å; V56-F99 HydrophobicContact CG1-CD1 4.21Å; V56-F99 HydrophobicContact CG1-CE1 4.11Å; V56-F99 HydrophobicContact CG2-CD1 3.86Å; V56-F99 HydrophobicContact CG2-CE1 4.24Å |
| 57 | Y | 94.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 159.2 | 179.4 | 56 | -84.7 | 0 | 0 | 0 | 112.3 | M59 K62 R65 T98 S100 Q115 | Y57-M59 HydrophobicContact CD2-CG 4.31Å; Y57-M59 HydrophobicContact CD2-SD 4.25Å; Y57-M59 HydrophobicContact CE2-CG 4.06Å; Y57-M59 HydrophobicContact CE2-SD 3.82Å; Y57-K62 HydrophobicContact CD2-CG 4.38Å; Y57-K62 HydrophobicContact CE2-CG 4.45Å; Y57-R65 HydrophobicContact CG-CG 4.45Å; Y57-T98 HydrophobicContact CE1-CG2 3.91Å; Y57-T98 HydrophobicContact CE2-CG2 3.74Å; Y57-T98 PolarHBondContact N-O 2.86Å; Y57-T98 PolarHBondContact O-N 3.03Å; Y57-T98 VanDerWaalsContact OH-CG2 3.31Å; Y57-T98 WeakPolarHBondContact OH-CG2 3.44Å; Y57-S100 PolarHBondContact OH-OG 2.86Å; Y57-Q115 PolarHBondContact OH-NE2 2.9Å |
| 58 | L | 91.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.3 | 174.6 | -69 | 174.2 | 0 | 0 | 0 | 110 | D61 F85 V87 K95 L97 L120 | L58-D61 CarbonylContact O-C 3.58Å; L58-D61 PolarHBondContact O-N 2.78Å; L58-F85 HydrophobicContact CD1-CB 3.76Å; L58-F85 HydrophobicContact CD1-CD1 3.61Å; L58-F85 HydrophobicContact CD1-CD2 4.47Å; L58-F85 HydrophobicContact CD1-CE1 4.32Å; L58-F85 HydrophobicContact CD1-CG 3.7Å; L58-F85 HydrophobicContact CG-CD1 3.79Å; L58-F85 HydrophobicContact CG-CE1 3.99Å; L58-F85 HydrophobicContact CG-CG 4.06Å; L58-F85 HydrophobicContact CG-CZ 4.42Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; L58-K95 HydrophobicContact CD2-CB 4.37Å; L58-L97 HydrophobicContact CD2-CB 4.03Å; L58-L97 HydrophobicContact CD2-CD1 3.91Å; L58-L120 HydrophobicContact CD2-CD1 3.56Å |
| 59 | M | 86.7 | Confident | 90.8 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 27% | 0.271 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 146.7 | 166.9 | -67.3 | -74.3 | -68.8 | 0 | 0 | 109.4 | Y57 K62 K95 T96 | Y57-M59 HydrophobicContact CD2-CG 4.31Å; Y57-M59 HydrophobicContact CD2-SD 4.25Å; Y57-M59 HydrophobicContact CE2-CG 4.06Å; Y57-M59 HydrophobicContact CE2-SD 3.82Å; M59-K62 VanDerWaalsContact CE-CE 3.49Å; M59-K62 HydrophobicContact SD-CD 3.96Å; M59-K62 WeakPolarHBondContact SD-CE 3.47Å; M59-K62 HydrophobicContact SD-CG 3.58Å; M59-K62 VanDerWaalsContact SD-CG 3.58Å; M59-K95 VanDerWaalsContact O-CA 3.23Å; M59-K95 WeakPolarHBondContact O-CA 3.41Å; M59-T96 PolarHBondContact N-O 3.32Å; M59-T96 PolarHBondContact O-N 3.16Å; M59-T96 VanDerWaalsContact O-N 3.11Å |
| 60 | P | 81.1 | Confident | 91.1 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | S | Bend | cis | -81.1 | -11.3 | 1.8 | 32.6 | -35.6 | 0 | 0 | 0 | 114.4 | K62 | P60-K62 PolarHBondContact O-N 2.94Š|
| 61 | D | 75.6 | Confident | 91.3 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | trans | -76.8 | 83.9 | -176.8 | -174 | 10.5 | 0 | 0 | 0 | 113.5 | L58 K63 | L58-D61 CarbonylContact O-C 3.58Å; L58-D61 PolarHBondContact O-N 2.78Å; D61-K63 PolarHBondContact O-N 3.08Å; D61-K63 VanDerWaalsContact O-N 3.09Å; D61-K63 WeakPolarHBondContact OD1-CB 3.48Å; D61-K63 VanDerWaalsContact OD1-CG 3.32Å; D61-K63 WeakPolarHBondContact OD1-CG 3.27Å; D61-K63 PolarHBondContact OD1-N 2.91Å | ||
| 62 | K | 70.5 | Confident | 91.3 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8 | 176.1 | -58 | -179.3 | -179.9 | 173 | 0 | 114.1 | Y57 M59 P60 R65 | Y57-K62 HydrophobicContact CD2-CG 4.38Å; Y57-K62 HydrophobicContact CE2-CG 4.45Å; M59-K62 VanDerWaalsContact CE-CE 3.49Å; M59-K62 HydrophobicContact SD-CD 3.96Å; M59-K62 WeakPolarHBondContact SD-CE 3.47Å; M59-K62 HydrophobicContact SD-CG 3.58Å; M59-K62 VanDerWaalsContact SD-CG 3.58Å; P60-K62 PolarHBondContact O-N 2.94Å; K62-R65 WeakPolarHBondContact O-CG 3.39Å; K62-R65 PolarHBondContact O-NE 3.14Å; K62-R65 PolarHBondContact O-NH2 2.76Å |
| 63 | K | 72.3 | Confident | 91.2 | Very high | 192 Ų | 192 | 77.8 Ų | 77.8 | 84% | 0.835 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -47.5 | -179.7 | -67.2 | 178.9 | -179.7 | 177.5 | 0 | 111.4 | D61 R65 | D61-K63 PolarHBondContact O-N 3.08Å; D61-K63 VanDerWaalsContact O-N 3.09Å; D61-K63 WeakPolarHBondContact OD1-CB 3.48Å; D61-K63 VanDerWaalsContact OD1-CG 3.32Å; D61-K63 WeakPolarHBondContact OD1-CG 3.27Å; D61-K63 PolarHBondContact OD1-N 2.91Å; K63-R65 PolarHBondContact O-N 2.87Å |
| 64 | K | 84 | Confident | 91.2 | Very high | 86 Ų | 86 | 79.4 Ų | 79.4 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -87.4 | 108.8 | -179.7 | -168.5 | 170 | 174.9 | -175.9 | 0 | 110.1 | F66 V84 F85 | K64-F66 HydrophobicContact CD-CE2 4.48Å; K64-F66 HydrophobicContact CD-CZ 4.46Å; K64-F66 HydrophobicContact CG-CE2 4.31Å; K64-F66 HydrophobicContact CG-CZ 4.47Å; K64-V84 PolarHBondContact NZ-O 2.64Å; K64-V84 VanDerWaalsContact NZ-O 3.09Å; K64-F85 HydrophobicContact CD-CD1 4.47Å |
| 65 | R | 91.2 | Very high | 91.1 | Very high | 138 Ų | 138 | 81.7 Ų | 81.7 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.5 | 178 | -45.6 | -170.6 | -169.7 | -171.1 | 6.6 | 109.6 | V56 Y57 K62 K63 | V56-R65 WeakPolarHBondContact O-CA 3.49Å; Y57-R65 HydrophobicContact CG-CG 4.45Å; K62-R65 WeakPolarHBondContact O-CG 3.39Å; K62-R65 PolarHBondContact O-NE 3.14Å; K62-R65 PolarHBondContact O-NH2 2.76Å; K63-R65 PolarHBondContact O-N 2.87Å |
| 66 | F | 96.7 | Very high | 91.2 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 23% | 0.232 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 162.2 | 170 | -62.1 | -78.4 | 0 | 0 | 0 | 110.2 | K55 V56 K64 F83 V84 F85 | K55-F66 CarbonylContact C-O 3.52Å; K55-F66 VanDerWaalsContact CA-O 3.32Å; K55-F66 WeakPolarHBondContact CA-O 3.23Å; V56-F66 HydrophobicContact CB-CB 4.49Å; V56-F66 PolarHBondContact N-O 2.99Å; V56-F66 PolarHBondContact O-N 2.81Å; K64-F66 HydrophobicContact CD-CE2 4.48Å; K64-F66 HydrophobicContact CD-CZ 4.46Å; K64-F66 HydrophobicContact CG-CE2 4.31Å; K64-F66 HydrophobicContact CG-CZ 4.47Å; F66-F83 HydrophobicContact CB-CB 3.95Å; F66-F83 HydrophobicContact CB-CD1 3.4Å; F66-F83 HydrophobicContact CB-CD2 3.92Å; F66-F83 HydrophobicContact CB-CE1 3.8Å; F66-F83 HydrophobicContact CB-CE2 4.27Å; F66-F83 HydrophobicContact CB-CG 3.45Å; F66-F83 VanDerWaalsContact CB-CG 3.45Å; F66-F83 HydrophobicContact CB-CZ 4.22Å; F66-F83 HydrophobicContact CD1-CB 4.14Å; F66-F83 AromaticContact CD1-CD1 3.63Å; F66-F83 HydrophobicContact CD1-CD1 3.63Å; F66-F83 HydrophobicContact CD1-CE1 4.41Å; F66-F83 HydrophobicContact CD1-CG 4.14Å; F66-F83 HydrophobicContact CD2-CB 3.61Å; F66-F83 HydrophobicContact CD2-CD1 4.44Å; F66-F83 HydrophobicContact CD2-CG 4.12Å; F66-F83 HydrophobicContact CE1-CD1 4.46Å; F66-F83 HydrophobicContact CE2-CB 4.02Å; F66-F83 HydrophobicContact CG-CB 3.64Å; F66-F83 AromaticContact CG-CD1 3.59Å; F66-F83 HydrophobicContact CG-CD1 3.59Å; F66-F83 HydrophobicContact CG-CE1 4.4Å; F66-F83 AromaticContact CG-CG 3.67Å; F66-F83 HydrophobicContact CG-CG 3.67Å; F66-F83 HydrophobicContact CZ-CB 4.44Å; F66-V84 VanDerWaalsContact CZ-O 3.3Å; F66-V84 WeakPolarHBondContact CZ-O 3.39Å; F66-F85 HydrophobicContact CD2-CD1 4.46Å; F66-F85 AromaticContact CD2-CE1 3.75Å; F66-F85 HydrophobicContact CD2-CE1 3.75Å; F66-F85 AromaticContact CD2-CE2 3.95Å; F66-F85 HydrophobicContact CD2-CE2 3.95Å; F66-F85 AromaticContact CD2-CZ 3.46Å; F66-F85 HydrophobicContact CD2-CZ 3.46Å; F66-F85 VanDerWaalsContact CD2-CZ 3.46Å; F66-F85 AromaticContact CE2-CD1 3.91Å; F66-F85 HydrophobicContact CE2-CD1 3.91Å; F66-F85 HydrophobicContact CE2-CD2 4.29Å; F66-F85 AromaticContact CE2-CE1 3.63Å; F66-F85 HydrophobicContact CE2-CE1 3.63Å; F66-F85 HydrophobicContact CE2-CE2 4.04Å; F66-F85 HydrophobicContact CE2-CG 4.23Å; F66-F85 AromaticContact CE2-CZ 3.71Å; F66-F85 HydrophobicContact CE2-CZ 3.71Å |
| 67 | Q | 97.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 83.3 Ų | 83.3 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.9 | 177.8 | -164.7 | -174.4 | -80.4 | 0 | 0 | 109 | Y53 V54 K55 F83 | Y53-Q67 VanDerWaalsContact CD2-CD 3.42Å; Y53-Q67 HydrophobicContact CD2-CG 3.4Å; Y53-Q67 VanDerWaalsContact CD2-CG 3.4Å; Y53-Q67 HydrophobicContact CE2-CG 3.73Å; Y53-Q67 VanDerWaalsContact CE2-OE1 3.27Å; V54-Q67 WeakPolarHBondContact O-CA 3.36Å; K55-Q67 HydrophobicContact CG-CG 4.1Å; Q67-F83 WeakPolarHBondContact O-CZ 3.22Å |
| 68 | T | 98.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 85.7 Ų | 85.7 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -69 | 168.3 | 168.1 | 67.2 | 0 | 0 | 0 | 0 | 110.8 | V35 Y53 V54 F79 E81 F83 | V35-T68 HydrophobicContact CB-CG2 4.02Å; V35-T68 HydrophobicContact CG1-CG2 4.13Å; V35-T68 HydrophobicContact CG2-CG2 4.12Å; Y53-T68 WeakPolarHBondContact CA-OG1 3.36Å; V54-T68 HydrophobicContact CB-CG2 4.01Å; V54-T68 PolarHBondContact N-OG1 2.86Å; V54-T68 PolarHBondContact O-N 2.83Å; T68-F79 HydrophobicContact CG2-CB 4.34Å; T68-F79 HydrophobicContact CG2-CD1 3.99Å; T68-F79 HydrophobicContact CG2-CG 4.22Å; T68-E81 WeakPolarHBondContact CA-OE1 3.42Å; T68-E81 VanDerWaalsContact CB-OE1 3.24Å; T68-E81 WeakPolarHBondContact CB-OE1 3.07Å; T68-E81 HydrophobicContact CG2-CB 4.46Å; T68-F83 HydrophobicContact CG2-CE2 3.91Å; T68-F83 HydrophobicContact CG2-CZ 4.04Å |
| 69 | R | 97.9 | Very high | 91.7 | Very high | 190 Ų | 190 | 85.7 Ų | 85.7 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 155.4 | 161.3 | -62.6 | 174.7 | -173.2 | -172.9 | 1.5 | 109.8 | E81 | R69-E81 WeakPolarHBondContact CB-OE1 3.2Å; R69-E81 PolarHBondContact N-OE1 2.92Å; R69-E81 PolarHBondContact N-OE2 2.89Å |
| 70 | V | 97.7 | Very high | 92.2 | Very high | 47 Ų | 47 | 88 Ų | 88 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 124.1 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 108 | D51 Y53 F104 | D51-V70 HydrophobicContact CB-CG1 3.93Å; Y53-V70 HydrophobicContact CD1-CG2 4.08Å; Y53-V70 HydrophobicContact CG-CG2 4.13Å; V70-F104 HydrophobicContact CG1-CB 3.67Å; V70-F104 HydrophobicContact CG1-CD1 4.37Å; V70-F104 HydrophobicContact CG1-CG 4.04Å; V70-F104 HydrophobicContact CG2-CB 4.12Å; V70-F104 HydrophobicContact CG2-CD2 4.09Å; V70-F104 HydrophobicContact CG2-CG 4.13Å |
| 71 | H | 97.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 85 Ų | 85 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 119.8 | 174.2 | -73 | -103.9 | 0 | 0 | 0 | 108.4 | D51 P52 T74 P77 V78 F79 | D51-H71 CarbonylContact C-O 3.43Å; D51-H71 VanDerWaalsContact C-O 3.28Å; D51-H71 WeakPolarHBondContact CA-O 3.35Å; P52-H71 WeakPolarHBondContact CD-O 3.33Å; P52-H71 HydrophobicContact CG-CB 4.47Å; P52-H71 PolarHBondContact O-N 3.11Å; H71-T74 HydrophobicContact CB-CG2 3.77Å; H71-P77 HydrophobicContact CB-CB 3.88Å; H71-V78 PolarHBondContact CE1-O 2.85Å; H71-F79 AromaticContact CD2-CD1 3.43Å; H71-F79 VanDerWaalsContact CD2-CD1 3.43Å; H71-F79 WeakPolarHBondContact CD2-CD1 3.08Å; H71-F79 AromaticContact CD2-CE1 3.61Å; H71-F79 AromaticContact NE2-CD1 3.62Å |
| 72 | R | 95.5 | Very high | 94.2 | Very high | 197 Ų | 197 | 85.1 Ų | 85.1 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 141.3 | -172.4 | -68.1 | -175.6 | 176.9 | 167.6 | 1.1 | 112.9 | D51 T74 | D51-R72 WeakPolarHBondContact OD1-CA 3.25Å; R72-T74 PolarHBondContact O-N 3.24Å |
| 73 | K | 94.8 | Very high | 95.5 | Very high | 151 Ų | 151 | 81.2 Ų | 81.2 | 66% | 0.657 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 49.7 | 51 | 169.8 | -58.4 | -176.7 | 178.3 | -175.2 | 0 | 113.7 | T49 S50 D51 | T49-K73 WeakPolarHBondContact OG1-CA 3.07Å; T49-K73 WeakPolarHBondContact OG1-CB 3.44Å; S50-K73 CarbonylContact O-C 3.03Å; S50-K73 VanDerWaalsContact O-CA 3.24Å; S50-K73 WeakPolarHBondContact O-CA 3.4Å; S50-K73 PolarHBondContact O-N 2.88Å; S50-K73 VanDerWaalsContact O-N 3.09Å; D51-K73 PolarHBondContact OD1-N 3.04Å |
| 74 | T | 97.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -142.5 | 141.3 | 179 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | S50 P52 H71 R72 N76 P77 | S50-T74 PolarHBondContact O-N 3.42Å; P52-T74 WeakPolarHBondContact CD-O 3.39Å; P52-T74 HydrophobicContact CG-CG2 3.96Å; P52-T74 WeakPolarHBondContact CG-O 3.49Å; H71-T74 HydrophobicContact CB-CG2 3.77Å; R72-T74 PolarHBondContact O-N 3.24Å; T74-N76 PolarHBondContact OG1-N 2.97Å; T74-N76 VanDerWaalsContact OG1-N 3.09Å; T74-N76 PolarHBondContact OG1-O 3.38Å; T74-P77 HydrophobicContact CG2-CB 3.87Å | ||
| 75 | L | 97.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 70.9 Ų | 70.9 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -99.5 | -5 | 171.1 | -55.9 | -175.9 | 0 | 0 | 0 | 112.2 | E40 L41 A43 P77 | E40-L75 PolarHBondContact N-O 2.86Å; L41-L75 HydrophobicContact CB-CB 4.48Å; L41-L75 WeakPolarHBondContact CB-O 3.17Å; L41-L75 WeakPolarHBondContact CG-O 3.4Å; L41-L75 PolarHBondContact N-O 2.83Å; L41-L75 WeakPolarHBondContact O-CB 3.06Å; L41-L75 WeakPolarHBondContact O-CD1 3.21Å; L41-L75 WeakPolarHBondContact O-CD2 3.39Å; A43-L75 HydrophobicContact CB-CD2 4.34Å; L75-P77 VanDerWaalsContact C-CD 3.45Å |
| 76 | N | 98.3 | Very high | 97.4 | Very high | 93 Ų | 93 | 72 Ų | 72 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -130.1 | 62.8 | 179.2 | -57.3 | -73 | 0 | 0 | 0 | 110 | G38 Q39 E40 T74 | G38-N76 CarbonylContact O-C 3.49Å; G38-N76 VanDerWaalsContact O-CA 3.22Å; G38-N76 WeakPolarHBondContact O-CA 3.44Å; Q39-N76 WeakPolarHBondContact CA-OD1 3.28Å; E40-N76 PolarHBondContact N-OD1 2.82Å; T74-N76 PolarHBondContact OG1-N 2.97Å; T74-N76 VanDerWaalsContact OG1-N 3.09Å; T74-N76 PolarHBondContact OG1-O 3.38Å |
| 77 | P | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | trans | -68.5 | 136 | -178.9 | 29.6 | -36.9 | 0 | 0 | 0 | 111.4 | E37 G38 L41 P52 H71 T74 L75 F79 | E37-P77 CarbonylContact C-O 3.28Å; E37-P77 WeakPolarHBondContact CA-O 3.39Å; E37-P77 VanDerWaalsContact CB-O 3.28Å; E37-P77 WeakPolarHBondContact CB-O 3.49Å; G38-P77 PolarHBondContact N-O 3.01Å; L41-P77 HydrophobicContact CD1-CG 3.77Å; P52-P77 HydrophobicContact CB-CG 4Å; P52-P77 HydrophobicContact CG-CB 3.73Å; P52-P77 HydrophobicContact CG-CG 3.52Å; H71-P77 HydrophobicContact CB-CB 3.88Å; T74-P77 HydrophobicContact CG2-CB 3.87Å; L75-P77 VanDerWaalsContact C-CD 3.45Å; P77-F79 HydrophobicContact CB-CD2 4.45Å; P77-F79 HydrophobicContact CB-CE1 3.97Å; P77-F79 HydrophobicContact CB-CE2 3.87Å; P77-F79 HydrophobicContact CB-CZ 3.59Å; P77-F79 HydrophobicContact CG-CD2 4.42Å; P77-F79 HydrophobicContact CG-CE1 4.25Å; P77-F79 HydrophobicContact CG-CE2 3.49Å; P77-F79 VanDerWaalsContact CG-CE2 3.49Å; P77-F79 HydrophobicContact CG-CZ 3.38Å | ||
| 78 | V | 98.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 105.4 | 168 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | E37 H71 N80 | E37-V78 HydrophobicContact CB-CG2 4.38Å; H71-V78 PolarHBondContact CE1-O 2.85Å; V78-N80 WeakPolarHBondContact CG1-ND2 3.16Å |
| 79 | F | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -56.6 | -176.7 | -58.3 | -77.2 | 0 | 0 | 0 | 111.2 | L18 V35 V36 P52 V54 T68 H71 P77 E81 | L18-F79 HydrophobicContact CD1-CE2 4.21Å; V35-F79 HydrophobicContact CB-CB 4.45Å; V35-F79 HydrophobicContact CG1-CB 4.18Å; V35-F79 HydrophobicContact CG1-CD2 3.65Å; V35-F79 HydrophobicContact CG1-CE2 4.27Å; V35-F79 HydrophobicContact CG1-CG 4.04Å; V35-F79 WeakPolarHBondContact O-CB 3.32Å; V36-F79 PolarHBondContact O-N 2.87Å; P52-F79 HydrophobicContact CB-CZ 4.41Å; V54-F79 HydrophobicContact CG2-CE1 4.36Å; V54-F79 HydrophobicContact CG2-CE2 3.86Å; V54-F79 HydrophobicContact CG2-CZ 3.76Å; T68-F79 HydrophobicContact CG2-CB 4.34Å; T68-F79 HydrophobicContact CG2-CD1 3.99Å; T68-F79 HydrophobicContact CG2-CG 4.22Å; H71-F79 AromaticContact CD2-CD1 3.43Å; H71-F79 VanDerWaalsContact CD2-CD1 3.43Å; H71-F79 WeakPolarHBondContact CD2-CD1 3.08Å; H71-F79 AromaticContact CD2-CE1 3.61Å; H71-F79 AromaticContact NE2-CD1 3.62Å; P77-F79 HydrophobicContact CB-CD2 4.45Å; P77-F79 HydrophobicContact CB-CE1 3.97Å; P77-F79 HydrophobicContact CB-CE2 3.87Å; P77-F79 HydrophobicContact CB-CZ 3.59Å; P77-F79 HydrophobicContact CG-CD2 4.42Å; P77-F79 HydrophobicContact CG-CE1 4.25Å; P77-F79 HydrophobicContact CG-CE2 3.49Å; P77-F79 VanDerWaalsContact CG-CE2 3.49Å; P77-F79 HydrophobicContact CG-CZ 3.38Å; F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 PolarHBondContact O-N 2.83Å |
| 80 | N | 98.3 | Very high | 96.8 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 48 | -172.8 | -70.3 | -33.5 | 0 | 0 | 0 | 113.6 | V35 V36 V78 | V35-N80 WeakPolarHBondContact O-CA 3.24Å; V35-N80 PolarHBondContact O-N 2.88Å; V36-N80 PolarHBondContact O-N 2.79Å; V78-N80 WeakPolarHBondContact CG1-ND2 3.16Å |
| 81 | E | 98.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 72.4 Ų | 72.4 | 16% | 0.164 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.5 | -179.4 | -71.4 | -178 | -106 | 0 | 0 | 111.4 | T34 V35 T68 R69 F79 F83 | T34-E81 CarbonylContact C-O 3.58Å; T34-E81 WeakPolarHBondContact CA-O 3.41Å; V35-E81 PolarHBondContact N-O 3.15Å; V35-E81 PolarHBondContact O-N 2.75Å; V35-E81 VanDerWaalsContact O-N 3.07Å; T68-E81 WeakPolarHBondContact CA-OE1 3.42Å; T68-E81 VanDerWaalsContact CB-OE1 3.24Å; T68-E81 WeakPolarHBondContact CB-OE1 3.07Å; T68-E81 HydrophobicContact CG2-CB 4.46Å; R69-E81 WeakPolarHBondContact CB-OE1 3.2Å; R69-E81 PolarHBondContact N-OE1 2.92Å; R69-E81 PolarHBondContact N-OE2 2.89Å; F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 PolarHBondContact O-N 2.83Å; E81-F83 HydrophobicContact CB-CE2 4.29Å; E81-F83 HydrophobicContact CB-CZ 4.01Å |
| 82 | T | 98.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132 | 179.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | A32 V33 T34 | A32-T82 HydrophobicContact CB-CG2 4.13Å; V33-T82 CarbonylContact O-C 3.48Å; V33-T82 WeakPolarHBondContact O-CA 3.06Å; T34-T82 PolarHBondContact OG1-OG1 3.5Å |
| 83 | F | 97.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 9% | 0.088 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.1 | 176.3 | -54.9 | -64.7 | 0 | 0 | 0 | 111.2 | A32 V33 V35 V56 F66 Q67 T68 E81 | A32-F83 WeakPolarHBondContact CA-O 3.2Å; V33-F83 PolarHBondContact N-O 2.54Å; V33-F83 PolarHBondContact O-N 2.81Å; V35-F83 HydrophobicContact CG2-CD2 4.38Å; V35-F83 HydrophobicContact CG2-CE2 4.07Å; V56-F83 HydrophobicContact CB-CD2 4.37Å; V56-F83 HydrophobicContact CG2-CD2 4.04Å; V56-F83 HydrophobicContact CG2-CE2 4.12Å; F66-F83 HydrophobicContact CB-CB 3.95Å; F66-F83 HydrophobicContact CB-CD1 3.4Å; F66-F83 HydrophobicContact CB-CD2 3.92Å; F66-F83 HydrophobicContact CB-CE1 3.8Å; F66-F83 HydrophobicContact CB-CE2 4.27Å; F66-F83 HydrophobicContact CB-CG 3.45Å; F66-F83 VanDerWaalsContact CB-CG 3.45Å; F66-F83 HydrophobicContact CB-CZ 4.22Å; F66-F83 HydrophobicContact CD1-CB 4.14Å; F66-F83 AromaticContact CD1-CD1 3.63Å; F66-F83 HydrophobicContact CD1-CD1 3.63Å; F66-F83 HydrophobicContact CD1-CE1 4.41Å; F66-F83 HydrophobicContact CD1-CG 4.14Å; F66-F83 HydrophobicContact CD2-CB 3.61Å; F66-F83 HydrophobicContact CD2-CD1 4.44Å; F66-F83 HydrophobicContact CD2-CG 4.12Å; F66-F83 HydrophobicContact CE1-CD1 4.46Å; F66-F83 HydrophobicContact CE2-CB 4.02Å; F66-F83 HydrophobicContact CG-CB 3.64Å; F66-F83 AromaticContact CG-CD1 3.59Å; F66-F83 HydrophobicContact CG-CD1 3.59Å; F66-F83 HydrophobicContact CG-CE1 4.4Å; F66-F83 AromaticContact CG-CG 3.67Å; F66-F83 HydrophobicContact CG-CG 3.67Å; F66-F83 HydrophobicContact CZ-CB 4.44Å; Q67-F83 WeakPolarHBondContact O-CZ 3.22Å; T68-F83 HydrophobicContact CG2-CE2 3.91Å; T68-F83 HydrophobicContact CG2-CZ 4.04Å; E81-F83 HydrophobicContact CB-CE2 4.29Å; E81-F83 HydrophobicContact CB-CZ 4.01Å |
| 84 | V | 97.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 60.9 Ų | 60.9 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.9 | -175 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | Q30 K64 F66 | Q30-V84 HydrophobicContact CB-CG1 3.85Å; Q30-V84 HydrophobicContact CG-CG1 4.02Å; K64-V84 PolarHBondContact NZ-O 2.64Å; K64-V84 VanDerWaalsContact NZ-O 3.09Å; F66-V84 VanDerWaalsContact CZ-O 3.3Å; F66-V84 WeakPolarHBondContact CZ-O 3.39Å |
| 85 | F | 96.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.5 | 170.1 | -63.8 | -86.7 | 0 | 0 | 0 | 109.6 | Q30 L31 V33 V56 L58 K64 F66 V87 L97 | Q30-F85 CarbonylContact C-O 3.49Å; Q30-F85 VanDerWaalsContact CA-O 3.3Å; Q30-F85 WeakPolarHBondContact CA-O 3.4Å; L31-F85 HydrophobicContact CB-CB 4.39Å; L31-F85 PolarHBondContact N-O 3.26Å; L31-F85 PolarHBondContact O-N 3.02Å; V33-F85 HydrophobicContact CB-CE2 4.38Å; V33-F85 HydrophobicContact CG2-CD2 3.86Å; V33-F85 HydrophobicContact CG2-CE2 3.89Å; V56-F85 HydrophobicContact CG1-CE2 3.94Å; V56-F85 HydrophobicContact CG1-CZ 3.98Å; L58-F85 HydrophobicContact CD1-CB 3.76Å; L58-F85 HydrophobicContact CD1-CD1 3.61Å; L58-F85 HydrophobicContact CD1-CD2 4.47Å; L58-F85 HydrophobicContact CD1-CE1 4.32Å; L58-F85 HydrophobicContact CD1-CG 3.7Å; L58-F85 HydrophobicContact CG-CD1 3.79Å; L58-F85 HydrophobicContact CG-CE1 3.99Å; L58-F85 HydrophobicContact CG-CG 4.06Å; L58-F85 HydrophobicContact CG-CZ 4.42Å; K64-F85 HydrophobicContact CD-CD1 4.47Å; F66-F85 HydrophobicContact CD2-CD1 4.46Å; F66-F85 AromaticContact CD2-CE1 3.75Å; F66-F85 HydrophobicContact CD2-CE1 3.75Å; F66-F85 AromaticContact CD2-CE2 3.95Å; F66-F85 HydrophobicContact CD2-CE2 3.95Å; F66-F85 AromaticContact CD2-CZ 3.46Å; F66-F85 HydrophobicContact CD2-CZ 3.46Å; F66-F85 VanDerWaalsContact CD2-CZ 3.46Å; F66-F85 AromaticContact CE2-CD1 3.91Å; F66-F85 HydrophobicContact CE2-CD1 3.91Å; F66-F85 HydrophobicContact CE2-CD2 4.29Å; F66-F85 AromaticContact CE2-CE1 3.63Å; F66-F85 HydrophobicContact CE2-CE1 3.63Å; F66-F85 HydrophobicContact CE2-CE2 4.04Å; F66-F85 HydrophobicContact CE2-CG 4.23Å; F66-F85 AromaticContact CE2-CZ 3.71Å; F66-F85 HydrophobicContact CE2-CZ 3.71Å; F85-V87 HydrophobicContact CB-CG1 4.13Å; F85-V87 PolarHBondContact O-N 3.22Å; F85-L97 HydrophobicContact CE2-CD1 4.09Å; F85-L97 HydrophobicContact CZ-CD1 4.48Å |
| 86 | K | 95.2 | Very high | 95 | Very high | 163 Ų | 163 | 60.3 Ų | 60.3 | 71% | 0.709 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.9 | 171.5 | -63.8 | -174.6 | 176.5 | -174.2 | 0 | 106.6 | Q30 | Q30-K86 HydrophobicContact CG-CG 4.12Å |
| 87 | V | 93.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | trans | -149.1 | 118.1 | -174.5 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | Y24 G29 L31 L58 F85 E91 L92 | Y24-V87 WeakPolarHBondContact CE2-O 3.29Å; Y24-V87 PolarHBondContact OH-O 3.26Å; G29-V87 CarbonylContact C-O 3.27Å; G29-V87 CarbonylContact O-C 3.47Å; G29-V87 PolarHBondContact O-N 3.4Å; G29-V87 VanDerWaalsContact O-O 3.04Å; L31-V87 HydrophobicContact CB-CG1 4Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; F85-V87 HydrophobicContact CB-CG1 4.13Å; F85-V87 PolarHBondContact O-N 3.22Å; V87-E91 HydrophobicContact CG2-CB 3.99Å; V87-L92 HydrophobicContact CB-CD2 4.39Å; V87-L92 HydrophobicContact CG1-CD2 3.55Å; V87-L92 HydrophobicContact CG1-CG 4.47Å; V87-L92 HydrophobicContact CG2-CD2 3.92Å; V87-L92 HydrophobicContact CG2-CG 4.33Å | ||
| 88 | P | 94.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | trans | -57.4 | 146.1 | 175.3 | -26.9 | 36.8 | 0 | 0 | 0 | 112.6 | Y24 N90 E91 L92 | Y24-P88 VanDerWaalsContact OH-C 3.32Å; P88-N90 VanDerWaalsContact C-N 3.29Å; P88-N90 VanDerWaalsContact CB-OD1 3.22Å; P88-N90 WeakPolarHBondContact CB-OD1 3.43Å; P88-N90 PolarHBondContact O-N 2.9Å; P88-E91 WeakPolarHBondContact O-CB 3.22Å; P88-E91 PolarHBondContact O-N 3.45Å; P88-L92 PolarHBondContact O-N 2.69Å | ||
| 89 | Y | 94.9 | Very high | 94.7 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -60.9 | -39 | -172.3 | -175.9 | -99.5 | 0 | 0 | 0 | 112.2 | Y24 F26 E91 L92 P93 L125 | Y24-Y89 AromaticContact CD1-CD2 3.79Å; Y24-Y89 HydrophobicContact CD1-CD2 3.79Å; Y24-Y89 AromaticContact CE1-CD2 3.64Å; Y24-Y89 HydrophobicContact CE1-CD2 3.64Å; Y24-Y89 HydrophobicContact CE1-CG 4.15Å; Y24-Y89 HydrophobicContact CG-CD2 4.42Å; Y24-Y89 WeakPolarHBondContact OH-CA 3.45Å; Y24-Y89 PolarHBondContact OH-N 3.13Å; F26-Y89 HydrophobicContact CD1-CD2 4.13Å; F26-Y89 HydrophobicContact CD1-CG 4.42Å; F26-Y89 AromaticContact CE1-CD2 3.47Å; F26-Y89 HydrophobicContact CE1-CD2 3.47Å; F26-Y89 VanDerWaalsContact CE1-CD2 3.47Å; F26-Y89 AromaticContact CE1-CE2 3.46Å; F26-Y89 HydrophobicContact CE1-CE2 3.46Å; F26-Y89 VanDerWaalsContact CE1-CE2 3.46Å; F26-Y89 HydrophobicContact CE1-CG 4.03Å; F26-Y89 HydrophobicContact CZ-CD2 4.2Å; F26-Y89 AromaticContact CZ-CE2 3.87Å; F26-Y89 HydrophobicContact CZ-CE2 3.87Å; Y89-E91 PolarHBondContact O-N 3.36Å; Y89-L92 HydrophobicContact CD2-CD1 3.68Å; Y89-L92 HydrophobicContact CE2-CD1 4.24Å; Y89-L92 HydrophobicContact CG-CD1 4.37Å; Y89-L92 WeakPolarHBondContact O-CB 3.39Å; Y89-L92 PolarHBondContact O-N 2.79Å; Y89-L92 VanDerWaalsContact O-N 3.15Å; Y89-P93 WeakPolarHBondContact O-CD 3.46Å; Y89-L125 HydrophobicContact CE2-CB 4.41Å |
| 90 | N | 94.2 | Very high | 94.5 | Very high | 133 Ų | 133 | 51.8 Ų | 51.8 | 71% | 0.711 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.2 | 177.5 | 65.1 | -17.5 | 0 | 0 | 0 | 114.1 | P88 | P88-N90 VanDerWaalsContact C-N 3.29Å; P88-N90 VanDerWaalsContact CB-OD1 3.22Å; P88-N90 WeakPolarHBondContact CB-OD1 3.43Å; P88-N90 PolarHBondContact O-N 2.9Å |
| 91 | E | 93.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 38% | 0.383 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -86.5 | -25.8 | 174.3 | -73.7 | -167.7 | -141.6 | 0 | 0 | 113 | V87 P88 Y89 P93 S94 K95 | V87-E91 HydrophobicContact CG2-CB 3.99Å; P88-E91 WeakPolarHBondContact O-CB 3.22Å; P88-E91 PolarHBondContact O-N 3.45Å; Y89-E91 PolarHBondContact O-N 3.36Å; E91-P93 VanDerWaalsContact C-CD 3.42Å; E91-P93 VanDerWaalsContact C-N 3.35Å; E91-S94 PolarHBondContact O-N 3.19Å; E91-S94 VanDerWaalsContact O-N 3.08Å; E91-S94 PolarHBondContact O-OG 3.49Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 WeakPolarHBondContact OE2-CE 3.15Å; E91-K95 IonicContact OE2-NZ 2.7Å; E91-K95 PolarHBondContact OE2-NZ 3.48Å |
| 92 | L | 92.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -53.4 | -41.9 | -174.5 | -69.1 | 170.6 | 0 | 0 | 0 | 113.5 | Y24 L31 V87 P88 Y89 S94 K95 L120 L125 | Y24-L92 HydrophobicContact CD2-CD1 3.73Å; Y24-L92 HydrophobicContact CE2-CD1 3.59Å; Y24-L92 HydrophobicContact CE2-CD2 4.48Å; Y24-L92 HydrophobicContact CE2-CG 4.37Å; Y24-L92 HydrophobicContact CG-CD1 4.33Å; L31-L92 HydrophobicContact CD2-CD2 4.25Å; V87-L92 HydrophobicContact CB-CD2 4.39Å; V87-L92 HydrophobicContact CG1-CD2 3.55Å; V87-L92 HydrophobicContact CG1-CG 4.47Å; V87-L92 HydrophobicContact CG2-CD2 3.92Å; V87-L92 HydrophobicContact CG2-CG 4.33Å; P88-L92 PolarHBondContact O-N 2.69Å; Y89-L92 HydrophobicContact CD2-CD1 3.68Å; Y89-L92 HydrophobicContact CE2-CD1 4.24Å; Y89-L92 HydrophobicContact CG-CD1 4.37Å; Y89-L92 WeakPolarHBondContact O-CB 3.39Å; Y89-L92 PolarHBondContact O-N 2.79Å; Y89-L92 VanDerWaalsContact O-N 3.15Å; L92-S94 PolarHBondContact O-N 3.41Å; L92-K95 PolarHBondContact O-N 2.96Å; L92-L120 HydrophobicContact CB-CB 4.42Å; L92-L120 HydrophobicContact CD2-CD1 3.91Å; L92-L120 WeakPolarHBondContact O-CB 3.5Å; L92-L125 HydrophobicContact CD1-CD1 3.7Å |
| 93 | P | 90.7 | Very high | 94.1 | Very high | 72 Ų | 72 | 43 Ų | 43 | 47% | 0.468 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -59 | -23 | -179 | -26.7 | 36.2 | 0 | 0 | 0 | 114.3 | Y89 E91 N121 | Y89-P93 WeakPolarHBondContact O-CD 3.46Å; E91-P93 VanDerWaalsContact C-CD 3.42Å; E91-P93 VanDerWaalsContact C-N 3.35Å; P93-N121 HydrophobicContact CB-CB 4Å |
| 94 | S | 87.2 | Confident | 93.9 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -88.1 | -2.4 | 177.2 | 74 | 0 | 0 | 0 | 0 | 114.3 | E91 L92 | E91-S94 PolarHBondContact O-N 3.19Å; E91-S94 VanDerWaalsContact O-N 3.08Å; E91-S94 PolarHBondContact O-OG 3.49Å; L92-S94 PolarHBondContact O-N 3.41Å |
| 95 | K | 89 | Confident | 93.2 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 15% | 0.152 | 23% | 0.227 | C | C | . | . | trans | -108.2 | 151.2 | -174.3 | -49.4 | -61.8 | -176.8 | -171.8 | 0 | 111.6 | L58 M59 E91 L92 L120 | L58-K95 HydrophobicContact CD2-CB 4.37Å; M59-K95 VanDerWaalsContact O-CA 3.23Å; M59-K95 WeakPolarHBondContact O-CA 3.41Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 WeakPolarHBondContact OE2-CE 3.15Å; E91-K95 IonicContact OE2-NZ 2.7Å; E91-K95 PolarHBondContact OE2-NZ 3.48Å; L92-K95 PolarHBondContact O-N 2.96Å; K95-L120 HydrophobicContact CB-CD1 3.93Å; K95-L120 WeakPolarHBondContact O-CB 3.47Å; K95-L120 PolarHBondContact O-N 2.8Å | ||
| 96 | T | 90 | Very high | 92.5 | Very high | 37 Ų | 37 | 54 Ų | 54 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.8 | 170 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | M59 T98 Q117 | M59-T96 PolarHBondContact N-O 3.32Å; M59-T96 PolarHBondContact O-N 3.16Å; M59-T96 VanDerWaalsContact O-N 3.11Å; T96-T98 PolarHBondContact O-OG1 3.39Å; T96-Q117 HydrophobicContact CG2-CB 3.87Å; T96-Q117 HydrophobicContact CG2-CG 4.43Å |
| 97 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.7 | 172.5 | 179 | 64.7 | 0 | 0 | 0 | 109.6 | L22 V33 V56 L58 F85 F99 Q117 V118 L120 | L22-L97 HydrophobicContact CD1-CD2 4.33Å; L22-L97 HydrophobicContact CD2-CD2 3.37Å; V33-L97 HydrophobicContact CG1-CD1 4.47Å; V33-L97 HydrophobicContact CG1-CD2 3.92Å; V33-L97 HydrophobicContact CG2-CD1 4.09Å; V33-L97 HydrophobicContact CG2-CD2 3.83Å; V56-L97 HydrophobicContact CG1-CD1 3.7Å; L58-L97 HydrophobicContact CD2-CB 4.03Å; L58-L97 HydrophobicContact CD2-CD1 3.91Å; F85-L97 HydrophobicContact CE2-CD1 4.09Å; F85-L97 HydrophobicContact CZ-CD1 4.48Å; L97-F99 HydrophobicContact CD2-CE2 3.63Å; L97-F99 HydrophobicContact CD2-CZ 3.5Å; L97-F99 HydrophobicContact CG-CD2 4.44Å; L97-F99 HydrophobicContact CG-CE2 3.71Å; L97-F99 HydrophobicContact CG-CZ 3.92Å; L97-Q117 WeakPolarHBondContact O-CA 3.4Å; L97-V118 HydrophobicContact CB-CB 4.37Å; L97-V118 PolarHBondContact N-O 3.44Å; L97-V118 PolarHBondContact O-N 2.89Å; L97-L120 HydrophobicContact CB-CD1 4.21Å; L97-L120 HydrophobicContact CB-CD2 4.1Å; L97-L120 HydrophobicContact CB-CG 4.16Å |
| 98 | T | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.5 | -173.4 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | V56 Y57 T96 Q115 L116 Q117 | V56-T98 WeakPolarHBondContact CA-O 3.33Å; Y57-T98 HydrophobicContact CE1-CG2 3.91Å; Y57-T98 HydrophobicContact CE2-CG2 3.74Å; Y57-T98 PolarHBondContact N-O 2.86Å; Y57-T98 PolarHBondContact O-N 3.03Å; Y57-T98 VanDerWaalsContact OH-CG2 3.31Å; Y57-T98 WeakPolarHBondContact OH-CG2 3.44Å; T96-T98 PolarHBondContact O-OG1 3.39Å; T98-Q115 VanDerWaalsContact CG2-CD 3.42Å; T98-Q115 HydrophobicContact CG2-CG 3.76Å; T98-L116 WeakPolarHBondContact CA-O 3.33Å; T98-Q117 HydrophobicContact CG2-CG 4.12Å |
| 99 | F | 97.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.4 | 173 | -54.2 | -97.5 | 0 | 0 | 0 | 108.4 | L18 Y20 V33 V35 V54 K55 V56 L97 Q115 L116 V118 | L18-F99 HydrophobicContact CD2-CB 3.79Å; L18-F99 HydrophobicContact CD2-CD1 3.96Å; L18-F99 HydrophobicContact CD2-CG 3.96Å; Y20-F99 HydrophobicContact CD1-CE2 4.3Å; Y20-F99 HydrophobicContact CD1-CZ 4.29Å; Y20-F99 HydrophobicContact CD2-CE2 4.16Å; Y20-F99 AromaticContact CD2-CZ 3.8Å; Y20-F99 HydrophobicContact CD2-CZ 3.8Å; Y20-F99 HydrophobicContact CE1-CE2 4.47Å; Y20-F99 HydrophobicContact CE2-CE2 4.33Å; Y20-F99 HydrophobicContact CE2-CZ 4.39Å; Y20-F99 HydrophobicContact CG-CE1 4.34Å; Y20-F99 HydrophobicContact CG-CE2 4.15Å; Y20-F99 AromaticContact CG-CZ 3.75Å; Y20-F99 HydrophobicContact CG-CZ 3.75Å; V33-F99 HydrophobicContact CG1-CE1 3.58Å; V33-F99 HydrophobicContact CG1-CZ 3.65Å; V35-F99 HydrophobicContact CG2-CD1 4.17Å; V35-F99 HydrophobicContact CG2-CE1 4.08Å; V54-F99 HydrophobicContact CG1-CB 3.94Å; V54-F99 HydrophobicContact CG1-CD1 4.21Å; K55-F99 CarbonylContact O-C 3.59Å; K55-F99 WeakPolarHBondContact O-CA 3.45Å; V56-F99 HydrophobicContact CG1-CD1 4.21Å; V56-F99 HydrophobicContact CG1-CE1 4.11Å; V56-F99 HydrophobicContact CG2-CD1 3.86Å; V56-F99 HydrophobicContact CG2-CE1 4.24Å; L97-F99 HydrophobicContact CD2-CE2 3.63Å; L97-F99 HydrophobicContact CD2-CZ 3.5Å; L97-F99 HydrophobicContact CG-CD2 4.44Å; L97-F99 HydrophobicContact CG-CE2 3.71Å; L97-F99 HydrophobicContact CG-CZ 3.92Å; F99-Q115 CarbonylContact O-C 3.59Å; F99-Q115 WeakPolarHBondContact O-CA 3.3Å; F99-Q115 WeakPolarHBondContact O-CG 3.18Å; F99-L116 HydrophobicContact CB-CB 4.23Å; F99-L116 HydrophobicContact CD2-CB 4.11Å; F99-L116 PolarHBondContact N-O 3.02Å; F99-L116 PolarHBondContact O-N 3.42Å; F99-V118 HydrophobicContact CE2-CG2 4.15Å |
| 100 | S | 95 | Very high | 89.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.1 | 172.9 | -73.4 | 0 | 0 | 0 | 0 | 109.4 | V54 K55 Y57 Y102 Q112 Q115 | V54-S100 WeakPolarHBondContact CA-O 3.36Å; K55-S100 PolarHBondContact N-O 2.89Å; K55-S100 PolarHBondContact O-N 2.73Å; Y57-S100 PolarHBondContact OH-OG 2.86Å; S100-Y102 VanDerWaalsContact CB-CE2 3.46Å; S100-Y102 WeakPolarHBondContact O-CD2 3.24Å; S100-Q112 PolarHBondContact OG-NE2 3.17Å; S100-Q115 PolarHBondContact OG-NE2 3.27Å |
| 101 | V | 97.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.5 | 179.8 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | L18 L41 V54 Q112 I113 G114 I135 | L18-V101 HydrophobicContact CD2-CG2 4.46Å; L41-V101 HydrophobicContact CD1-CG1 4.31Å; L41-V101 HydrophobicContact CD2-CG1 4.42Å; V54-V101 HydrophobicContact CG2-CG2 4.27Å; V101-Q112 WeakPolarHBondContact O-CG 3.43Å; V101-I113 HydrophobicContact CB-CB 4.3Å; V101-I113 HydrophobicContact CG1-CB 4.18Å; V101-I113 HydrophobicContact CG1-CD1 4.14Å; V101-I113 HydrophobicContact CG1-CG2 4.39Å; V101-I113 PolarHBondContact O-N 3.15Å; V101-G114 PolarHBondContact N-O 3.32Å; V101-G114 PolarHBondContact O-N 3.37Å; V101-I135 HydrophobicContact CG2-CD1 3.98Å; V101-I135 HydrophobicContact CG2-CG1 4.37Å |
| 102 | Y | 95.5 | Very high | 88.5 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 152.8 | -178.4 | -73.5 | -89.9 | 0 | 0 | 0 | 110.6 | P52 Y53 K55 S100 N110 D111 Q112 | P52-Y102 CarbonylContact C-O 3.57Å; P52-Y102 VanDerWaalsContact CA-O 3.25Å; P52-Y102 WeakPolarHBondContact CA-O 3.37Å; Y53-Y102 HydrophobicContact CE1-CG 4.15Å; Y53-Y102 HydrophobicContact CE2-CD2 4.11Å; Y53-Y102 HydrophobicContact CE2-CG 4.26Å; Y53-Y102 AromaticContact CZ-CG 3.77Å; Y53-Y102 PolarHBondContact N-O 3.23Å; Y53-Y102 PolarHBondContact O-N 3.32Å; K55-Y102 HydrophobicContact CB-CE2 4.3Å; K55-Y102 HydrophobicContact CD-CD2 4.2Å; K55-Y102 HydrophobicContact CD-CE2 3.72Å; K55-Y102 HydrophobicContact CG-CD2 4.13Å; K55-Y102 HydrophobicContact CG-CE2 4.01Å; S100-Y102 VanDerWaalsContact CB-CE2 3.46Å; S100-Y102 WeakPolarHBondContact O-CD2 3.24Å; Y102-N110 HydrophobicContact CD1-CB 4.28Å; Y102-D111 CarbonylContact C-O 3.54Å; Y102-D111 VanDerWaalsContact CA-O 3.22Å; Y102-D111 WeakPolarHBondContact CA-O 3.12Å; Y102-D111 WeakPolarHBondContact CD1-O 3.39Å; Y102-Q112 HydrophobicContact CD1-CB 3.85Å; Y102-Q112 HydrophobicContact CD1-CG 4.14Å; Y102-Q112 HydrophobicContact CE1-CB 3.53Å; Y102-Q112 HydrophobicContact CE1-CG 3.74Å; Y102-Q112 HydrophobicContact CE2-CG 4.38Å; Y102-Q112 PolarHBondContact OH-OE1 3.4Å |
| 103 | D | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137.7 | 159.3 | -175.3 | 35.9 | 0 | 0 | 0 | 109.5 | M44 S50 D51 N110 D111 I113 | M44-D103 HydrophobicContact CB-CB 3.75Å; M44-D103 WeakPolarHBondContact CB-OD2 3.34Å; M44-D103 HydrophobicContact CG-CB 3.98Å; S50-D103 WeakPolarHBondContact CA-OD1 3.46Å; S50-D103 WeakPolarHBondContact CB-OD1 3.41Å; D51-D103 WeakPolarHBondContact CA-OD1 3.23Å; D51-D103 PolarHBondContact N-OD1 3.46Å; D103-N110 WeakPolarHBondContact O-CA 3.36Å; D103-N110 WeakPolarHBondContact O-CB 3.35Å; D103-D111 HydrophobicContact CB-CB 4.31Å; D103-D111 PolarHBondContact N-O 2.86Å; D103-D111 PolarHBondContact O-N 3.12Å; D103-I113 HydrophobicContact CB-CD1 4.21Å; D103-I113 HydrophobicContact CB-CG1 4.33Å |
| 104 | F | 92.7 | Very high | 88.6 | Confident | 71 Ų | 71 | 47.9 Ų | 47.9 | 31% | 0.311 | 24% | 0.243 | S | C | . | . | trans | -93.7 | 115.8 | -178.8 | 176.1 | -89.7 | 0 | 0 | 0 | 111 | D51 Y53 V70 R106 N110 | D51-F104 HydrophobicContact CB-CB 3.92Å; D51-F104 WeakPolarHBondContact O-CB 3.47Å; D51-F104 PolarHBondContact O-N 2.93Å; Y53-F104 HydrophobicContact CD1-CB 3.99Å; Y53-F104 HydrophobicContact CE1-CB 4.04Å; Y53-F104 HydrophobicContact CE1-CD2 4.48Å; V70-F104 HydrophobicContact CG1-CB 3.67Å; V70-F104 HydrophobicContact CG1-CD1 4.37Å; V70-F104 HydrophobicContact CG1-CG 4.04Å; V70-F104 HydrophobicContact CG2-CB 4.12Å; V70-F104 HydrophobicContact CG2-CD2 4.09Å; V70-F104 HydrophobicContact CG2-CG 4.13Å; F104-R106 HydrophobicContact CE1-CB 4.38Å; F104-N110 WeakPolarHBondContact CD2-ND2 3.38Å | ||
| 105 | D | 83.3 | Confident | 88.9 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | trans | -98.9 | 124.4 | 172.2 | -66.8 | -73.8 | 0 | 0 | 0 | 110.8 | F107 N110 D111 | D105-F107 PolarHBondContact O-N 3.02Å; D105-N110 PolarHBondContact N-OD1 3.18Å; D105-N110 PolarHBondContact O-OD1 3.37Å; D105-N110 WeakPolarHBondContact OD2-CA 3.48Å; D105-D111 PolarHBondContact OD2-N 3.01Å | ||
| 106 | R | 81.7 | Confident | 89.2 | Confident | 205 Ų | 205 | 43.1 Ų | 43.1 | 77% | 0.774 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -61.9 | -34 | 173.6 | -175.9 | 176.5 | -177.4 | -176.9 | 1 | 111.9 | F104 | F104-R106 HydrophobicContact CE1-CB 4.38Š|
| 107 | F | 75.2 | Confident | 89.2 | Confident | 170 Ų | 170 | 46.2 Ų | 46.2 | 75% | 0.746 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -125.4 | 114.8 | -178.1 | -56 | -68.5 | 0 | 0 | 0 | 108.9 | D105 | D105-F107 PolarHBondContact O-N 3.02Š|
| 108 | G | 70.7 | Confident | 89 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 74% | 0.742 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 109.8 | -156.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 109 | K | 75.8 | Confident | 88.8 | Confident | 126 Ų | 126 | 48.6 Ų | 48.6 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | trans | -103.9 | 119.9 | -176.3 | 178.3 | -176.4 | -177.7 | 176 | 0 | 108.2 | D111 | K109-D111 PolarHBondContact O-N 3.29Š| ||
| 110 | N | 86 | Confident | 88.5 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | trans | -45.5 | 124.2 | 173.3 | -62.9 | 15.8 | 0 | 0 | 0 | 112.2 | Y53 Y102 D103 F104 D105 | Y53-N110 HydrophobicContact CE1-CB 4.37Å; Y53-N110 WeakPolarHBondContact CE1-ND2 3.4Å; Y53-N110 PolarHBondContact OH-ND2 2.95Å; Y102-N110 HydrophobicContact CD1-CB 4.28Å; D103-N110 WeakPolarHBondContact O-CA 3.36Å; D103-N110 WeakPolarHBondContact O-CB 3.35Å; F104-N110 WeakPolarHBondContact CD2-ND2 3.38Å; D105-N110 PolarHBondContact N-OD1 3.18Å; D105-N110 PolarHBondContact O-OD1 3.37Å; D105-N110 WeakPolarHBondContact OD2-CA 3.48Å | ||
| 111 | D | 84.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | trans | -73.5 | 132.2 | 179 | -81.4 | -29.9 | 0 | 0 | 0 | 111.8 | M44 Y102 D103 D105 K109 I113 | M44-D111 HydrophobicContact CE-CB 3.85Å; Y102-D111 CarbonylContact C-O 3.54Å; Y102-D111 VanDerWaalsContact CA-O 3.22Å; Y102-D111 WeakPolarHBondContact CA-O 3.12Å; Y102-D111 WeakPolarHBondContact CD1-O 3.39Å; D103-D111 HydrophobicContact CB-CB 4.31Å; D103-D111 PolarHBondContact N-O 2.86Å; D103-D111 PolarHBondContact O-N 3.12Å; D105-D111 PolarHBondContact OD2-N 3.01Å; K109-D111 PolarHBondContact O-N 3.29Å; D111-I113 PolarHBondContact O-N 3.16Å | ||
| 112 | Q | 90.1 | Very high | 87.7 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.159 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.7 | 175.8 | -167.5 | 174.4 | -12.1 | 0 | 0 | 108.6 | S100 V101 Y102 G114 P138 | S100-Q112 PolarHBondContact OG-NE2 3.17Å; V101-Q112 WeakPolarHBondContact O-CG 3.43Å; Y102-Q112 HydrophobicContact CD1-CB 3.85Å; Y102-Q112 HydrophobicContact CD1-CG 4.14Å; Y102-Q112 HydrophobicContact CE1-CB 3.53Å; Y102-Q112 HydrophobicContact CE1-CG 3.74Å; Y102-Q112 HydrophobicContact CE2-CG 4.38Å; Y102-Q112 PolarHBondContact OH-OE1 3.4Å; Q112-G114 PolarHBondContact NE2-O 3.38Å; Q112-P138 HydrophobicContact CG-CB 4.06Å |
| 113 | I | 92.6 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | -49.4 | 174.9 | -70.3 | 169.5 | 0 | 0 | 0 | 109.8 | L15 P42 M44 V101 D103 D111 | L15-I113 WeakPolarHBondContact CD1-O 3.3Å; P42-I113 HydrophobicContact CG-CB 4.47Å; P42-I113 HydrophobicContact CG-CG1 4.31Å; P42-I113 HydrophobicContact CG-CG2 3.57Å; M44-I113 HydrophobicContact CG-CD1 4.23Å; M44-I113 HydrophobicContact CG-CG1 3.71Å; M44-I113 HydrophobicContact SD-CG1 4.41Å; V101-I113 HydrophobicContact CB-CB 4.3Å; V101-I113 HydrophobicContact CG1-CB 4.18Å; V101-I113 HydrophobicContact CG1-CD1 4.14Å; V101-I113 HydrophobicContact CG1-CG2 4.39Å; V101-I113 PolarHBondContact O-N 3.15Å; D103-I113 HydrophobicContact CB-CD1 4.21Å; D103-I113 HydrophobicContact CB-CG1 4.33Å; D111-I113 PolarHBondContact O-N 3.16Å |
| 114 | G | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -164.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V101 Q112 Q136 | V101-G114 PolarHBondContact N-O 3.32Å; V101-G114 PolarHBondContact O-N 3.37Å; Q112-G114 PolarHBondContact NE2-O 3.38Å; G114-Q136 CarbonylContact C-O 3.52Å; G114-Q136 VanDerWaalsContact CA-O 3.24Å; G114-Q136 WeakPolarHBondContact CA-O 3.5Å |
| 115 | Q | 93.5 | Very high | 87.5 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 149.4 | -178.5 | -177.4 | 167.8 | 83.4 | 0 | 0 | 112.2 | Y57 T98 F99 S100 Q117 Q136 | Y57-Q115 PolarHBondContact OH-NE2 2.9Å; T98-Q115 VanDerWaalsContact CG2-CD 3.42Å; T98-Q115 HydrophobicContact CG2-CG 3.76Å; F99-Q115 CarbonylContact O-C 3.59Å; F99-Q115 WeakPolarHBondContact O-CA 3.3Å; F99-Q115 WeakPolarHBondContact O-CG 3.18Å; S100-Q115 PolarHBondContact OG-NE2 3.27Å; Q115-Q117 HydrophobicContact CG-CG 4.12Å; Q115-Q136 PolarHBondContact N-O 2.85Å; Q115-Q136 WeakPolarHBondContact O-CB 3.19Å; Q115-Q136 PolarHBondContact O-N 2.91Å |
| 116 | L | 94 | Very high | 87.9 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.5 | 159.8 | -65.2 | -179.8 | 0 | 0 | 0 | 109.5 | L18 Y20 T98 F99 R133 C134 | L18-L116 HydrophobicContact CB-CD1 3.69Å; L18-L116 HydrophobicContact CD2-CD1 4.08Å; L18-L116 HydrophobicContact CG-CD1 4.45Å; Y20-L116 HydrophobicContact CD1-CD1 4.46Å; Y20-L116 HydrophobicContact CE1-CD1 4.17Å; T98-L116 WeakPolarHBondContact CA-O 3.33Å; F99-L116 HydrophobicContact CB-CB 4.23Å; F99-L116 HydrophobicContact CD2-CB 4.11Å; F99-L116 PolarHBondContact N-O 3.02Å; F99-L116 PolarHBondContact O-N 3.42Å; L116-R133 HydrophobicContact CD1-CB 3.95Å; L116-R133 HydrophobicContact CD2-CB 3.93Å; L116-C134 WeakPolarHBondContact CD2-O 3.45Å |
| 117 | Q | 90 | Very high | 88.5 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.7 | 171.7 | -67.8 | -175.2 | -9.7 | 0 | 0 | 108.8 | T96 L97 T98 Q115 | T96-Q117 HydrophobicContact CG2-CB 3.87Å; T96-Q117 HydrophobicContact CG2-CG 4.43Å; L97-Q117 WeakPolarHBondContact O-CA 3.4Å; T98-Q117 HydrophobicContact CG2-CG 4.12Å; Q115-Q117 HydrophobicContact CG-CG 4.12Å |
| 118 | V | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 97.1 | -178 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | Y20 L97 F99 L120 V123 | Y20-V118 HydrophobicContact CE2-CG2 4.3Å; Y20-V118 VanDerWaalsContact OH-CG2 3.28Å; Y20-V118 WeakPolarHBondContact OH-CG2 2.93Å; L97-V118 HydrophobicContact CB-CB 4.37Å; L97-V118 PolarHBondContact N-O 3.44Å; L97-V118 PolarHBondContact O-N 2.89Å; F99-V118 HydrophobicContact CE2-CG2 4.15Å; V118-L120 PolarHBondContact O-N 3.04Å; V118-V123 HydrophobicContact CG1-CG2 3.52Å |
| 119 | P | 89.2 | Confident | 90.8 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 121.6 | 170.1 | -23.5 | 35.5 | 0 | 0 | 0 | 108.8 | N121 S122 | P119-N121 WeakPolarHBondContact CB-OD1 3.3Å; P119-N121 PolarHBondContact O-N 3.41Å; P119-S122 WeakPolarHBondContact O-CB 3.44Å; P119-S122 PolarHBondContact O-N 3.04Å; P119-S122 PolarHBondContact O-OG 2.91Å |
| 120 | L | 92.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.9 | -13.4 | -171.7 | -72.1 | 167.2 | 0 | 0 | 0 | 112.6 | L22 L31 L58 L92 K95 L97 V118 S122 | L22-L120 HydrophobicContact CD1-CD2 4.42Å; L31-L120 HydrophobicContact CD2-CD1 3.96Å; L31-L120 HydrophobicContact CD2-CD2 4.14Å; L58-L120 HydrophobicContact CD2-CD1 3.56Å; L92-L120 HydrophobicContact CB-CB 4.42Å; L92-L120 HydrophobicContact CD2-CD1 3.91Å; L92-L120 WeakPolarHBondContact O-CB 3.5Å; K95-L120 HydrophobicContact CB-CD1 3.93Å; K95-L120 WeakPolarHBondContact O-CB 3.47Å; K95-L120 PolarHBondContact O-N 2.8Å; L97-L120 HydrophobicContact CB-CD1 4.21Å; L97-L120 HydrophobicContact CB-CD2 4.1Å; L97-L120 HydrophobicContact CB-CG 4.16Å; V118-L120 PolarHBondContact O-N 3.04Å; L120-S122 PolarHBondContact O-N 2.9Å |
| 121 | N | 87.7 | Confident | 92.3 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -69 | -13.9 | 164.8 | 65.2 | -8.9 | 0 | 0 | 0 | 113.9 | P93 P119 | P93-N121 HydrophobicContact CB-CB 4Å; P119-N121 WeakPolarHBondContact CB-OD1 3.3Å; P119-N121 PolarHBondContact O-N 3.41Å |
| 122 | S | 88.1 | Confident | 92.9 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -96.6 | 4.6 | -179.6 | 75 | 0 | 0 | 0 | 0 | 113.3 | P119 L120 | P119-S122 WeakPolarHBondContact O-CB 3.44Å; P119-S122 PolarHBondContact O-N 3.04Å; P119-S122 PolarHBondContact O-OG 2.91Å; L120-S122 PolarHBondContact O-N 2.9Å |
| 123 | V | 90.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -121.1 | 124.7 | -175.3 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | L22 V118 L125 V129 | L22-V123 HydrophobicContact CD1-CG1 4.08Å; L22-V123 HydrophobicContact CD1-CG2 4.4Å; V118-V123 HydrophobicContact CG1-CG2 3.52Å; V123-L125 HydrophobicContact CB-CG 4.49Å; V123-L125 HydrophobicContact CG1-CD2 3.73Å; V123-L125 HydrophobicContact CG1-CG 3.99Å; V123-L125 PolarHBondContact O-N 2.84Å; V123-V129 HydrophobicContact CG1-CB 4.25Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V123-V129 HydrophobicContact CG1-CG2 3.8Å |
| 124 | D | 92.9 | Very high | 93.2 | Very high | 128 Ų | 128 | 60.9 Ų | 60.9 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | trans | -79.3 | 107 | 168.6 | -173.3 | -2.3 | 0 | 0 | 0 | 109.5 | G126 V129 | D124-G126 VanDerWaalsContact C-N 3.33Å; D124-G126 PolarHBondContact OD1-N 2.92Å; D124-V129 WeakPolarHBondContact O-CG2 2.82Å | ||
| 125 | L | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 16.8 | -179.5 | -66.5 | 169.6 | 0 | 0 | 0 | 112.4 | L22 F26 L31 Y89 L92 V123 E127 | L22-L125 HydrophobicContact CB-CD2 3.92Å; F26-L125 WeakPolarHBondContact CE2-O 3.49Å; F26-L125 WeakPolarHBondContact CZ-O 3.42Å; L31-L125 HydrophobicContact CD1-CD1 4.14Å; L31-L125 HydrophobicContact CD1-CD2 4.12Å; Y89-L125 HydrophobicContact CE2-CB 4.41Å; L92-L125 HydrophobicContact CD1-CD1 3.7Å; V123-L125 HydrophobicContact CB-CG 4.49Å; V123-L125 HydrophobicContact CG1-CD2 3.73Å; V123-L125 HydrophobicContact CG1-CG 3.99Å; V123-L125 PolarHBondContact O-N 2.84Å; L125-E127 PolarHBondContact O-N 3.36Å |
| 126 | G | 92.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D124 | D124-G126 VanDerWaalsContact C-N 3.33Å; D124-G126 PolarHBondContact OD1-N 2.92Å |
| 127 | E | 93.3 | Very high | 92.7 | Very high | 161 Ų | 161 | 69 Ų | 69 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -134.5 | 170 | 174.8 | -63.5 | -172 | 168.9 | 0 | 0 | 111.2 | L125 V129 | L125-E127 PolarHBondContact O-N 3.36Å; E127-V129 PolarHBondContact O-N 3.08Å |
| 128 | V | 97.3 | Very high | 92.2 | Very high | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.418 | 36% | 0.36 | S | S | . | . | trans | -66.2 | 116 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | V21 D23 R130 | V21-V128 HydrophobicContact CG1-CG1 3.37Å; D23-V128 HydrophobicContact CB-CG2 4.21Å; V128-R130 HydrophobicContact CG1-CG 4.45Å | ||
| 129 | V | 97 | Very high | 91.1 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 16% | 0.164 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.9 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V21 L22 V123 D124 E127 L131 | V21-V129 CarbonylContact C-O 3.59Å; V21-V129 VanDerWaalsContact CA-O 3.25Å; V21-V129 WeakPolarHBondContact CA-O 2.94Å; L22-V129 HydrophobicContact CB-CB 4.3Å; L22-V129 PolarHBondContact N-O 3.42Å; L22-V129 PolarHBondContact O-N 3.48Å; V123-V129 HydrophobicContact CG1-CB 4.25Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V123-V129 HydrophobicContact CG1-CG2 3.8Å; D124-V129 WeakPolarHBondContact O-CG2 2.82Å; E127-V129 PolarHBondContact O-N 3.08Å; V129-L131 HydrophobicContact CG1-CD1 3.59Å; V129-L131 HydrophobicContact CG1-CD2 4.43Å; V129-L131 HydrophobicContact CG1-CG 3.67Å |
| 130 | R | 98.1 | Very high | 89.7 | Confident | 188 Ų | 188 | 73.1 Ų | 73.1 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.7 | 177.1 | -59.1 | 178.5 | 179.4 | -90.9 | -3.1 | 109.6 | V21 V128 | V21-R130 HydrophobicContact CG1-CG 4.02Å; V21-R130 HydrophobicContact CG2-CG 3.99Å; V128-R130 HydrophobicContact CG1-CG 4.45Å |
| 131 | L | 95.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 28% | 0.277 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.4 | -173.9 | -67.9 | 169.9 | 0 | 0 | 0 | 111.6 | S19 Y20 V129 | S19-L131 CarbonylContact C-O 3.48Å; S19-L131 WeakPolarHBondContact CA-O 3.45Å; Y20-L131 HydrophobicContact CE1-CB 4.04Å; Y20-L131 HydrophobicContact CE2-CB 3.98Å; Y20-L131 HydrophobicContact CE2-CD1 3.96Å; Y20-L131 PolarHBondContact N-O 3.47Å; Y20-L131 PolarHBondContact O-N 3.03Å; Y20-L131 VanDerWaalsContact OH-CD1 3.3Å; Y20-L131 WeakPolarHBondContact OH-CD1 3.39Å; V129-L131 HydrophobicContact CG1-CD1 3.59Å; V129-L131 HydrophobicContact CG1-CD2 4.43Å; V129-L131 HydrophobicContact CG1-CG 3.67Å |
| 132 | T | 97 | Very high | 87.1 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.7 | 166.9 | -57.6 | 0 | 0 | 0 | 0 | 108 | K17 L18 S19 | K17-T132 HydrophobicContact CB-CG2 3.88Å; K17-T132 HydrophobicContact CD-CG2 4.12Å; K17-T132 HydrophobicContact CG-CG2 4.47Å; L18-T132 WeakPolarHBondContact O-CA 3.48Å; S19-T132 WeakPolarHBondContact OG-CG2 3.24Å; S19-T132 PolarHBondContact OG-OG1 3.04Å |
| 133 | R | 94.8 | Very high | 87.2 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145 | -179.1 | -64.8 | -167.2 | -179 | -169.1 | -0.8 | 111.8 | K17 L18 Y20 L116 I135 | K17-R133 CarbonylContact C-O 3.5Å; K17-R133 VanDerWaalsContact CA-O 3.27Å; K17-R133 WeakPolarHBondContact CA-O 3.39Å; L18-R133 PolarHBondContact N-O 3.45Å; L18-R133 PolarHBondContact O-N 3.49Å; Y20-R133 HydrophobicContact CE1-CG 4.27Å; Y20-R133 WeakPolarHBondContact OH-CD 3.46Å; Y20-R133 PolarHBondContact OH-NE 2.65Å; Y20-R133 VanDerWaalsContact OH-NE 3.15Å; L116-R133 HydrophobicContact CD1-CB 3.95Å; L116-R133 HydrophobicContact CD2-CB 3.93Å; R133-I135 PolarHBondContact O-N 3.38Å |
| 134 | C | 94.6 | Very high | 87.1 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126 | 172.4 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | G16 L116 Q136 | G16-C134 WeakPolarHBondContact O-CA 3.43Å; L116-C134 WeakPolarHBondContact CD2-O 3.45Å; C134-Q136 PolarHBondContact O-N 2.88Å; C134-Q136 PolarHBondContact O-NE2 2.9Å |
| 135 | I | 96.1 | Very high | 87 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.8 | 177.5 | -65.7 | 164.5 | 0 | 0 | 0 | 108.1 | L15 G16 L18 L41 V101 R133 | L15-I135 HydrophobicContact CB-CB 4.05Å; L15-I135 HydrophobicContact CB-CG2 3.93Å; L15-I135 HydrophobicContact CD1-CG2 4.43Å; L15-I135 WeakPolarHBondContact O-CD1 3.37Å; G16-I135 PolarHBondContact O-N 2.85Å; L18-I135 HydrophobicContact CB-CD1 4.29Å; L18-I135 HydrophobicContact CB-CG1 4.13Å; L41-I135 HydrophobicContact CD2-CD1 3.29Å; V101-I135 HydrophobicContact CG2-CD1 3.98Å; V101-I135 HydrophobicContact CG2-CG1 4.37Å; R133-I135 PolarHBondContact O-N 3.38Å |
| 136 | Q | 89 | Confident | 87.1 | Confident | 108 Ų | 108 | 70 Ų | 70 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 154.1 | 177.2 | -59.2 | -56.3 | -58.8 | 0 | 0 | 109.6 | G114 Q115 C134 | G114-Q136 CarbonylContact C-O 3.52Å; G114-Q136 VanDerWaalsContact CA-O 3.24Å; G114-Q136 WeakPolarHBondContact CA-O 3.5Å; Q115-Q136 PolarHBondContact N-O 2.85Å; Q115-Q136 WeakPolarHBondContact O-CB 3.19Å; Q115-Q136 PolarHBondContact O-N 2.91Å; C134-Q136 PolarHBondContact O-N 2.88Å; C134-Q136 PolarHBondContact O-NE2 2.9Å |
| 137 | P | 85.6 | Confident | 87.3 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 142.2 | 167.8 | -26.8 | 35.1 | 0 | 0 | 0 | 110.1 | L15 | L15-P137 VanDerWaalsContact CD1-CA 3.48Å; L15-P137 HydrophobicContact CD1-CB 4.26Å; L15-P137 HydrophobicContact CD1-CG 4.04Å |
| 138 | P | 79.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 143 | 172.7 | 28.2 | -31.4 | 0 | 0 | 0 | 107.5 | Q112 E140 | Q112-P138 HydrophobicContact CG-CB 4.06Å; P138-E140 PolarHBondContact O-N 3.02Å |
| 139 | P | 68.5 | Low | 87.6 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 132.4 | 178.5 | -22.9 | 29.3 | 0 | 0 | 0 | 108.8 | N141 | P139-N141 HydrophobicContact CB-CB 4.18Å; P139-N141 PolarHBondContact O-N 3.08Å |
| 140 | E | 59.7 | Low | 87.6 | Confident | 147 Ų | 147 | 56.4 Ų | 56.4 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -59.9 | 10.6 | 176.2 | -75.2 | -170.2 | 169.2 | 0 | 0 | 113.7 | P138 R142 K170 | P138-E140 PolarHBondContact O-N 3.02Å; E140-R142 PolarHBondContact O-N 2.89Å; E140-K170 IonicContact OE2-NZ 3.41Å; E140-K170 PolarHBondContact OE2-NZ 2.73Å |
| 141 | N | 55.7 | Low | 87.6 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | trans | -67.9 | 10.2 | -179.5 | -64.4 | -10.7 | 0 | 0 | 0 | 113.8 | P139 L143 | P139-N141 HydrophobicContact CB-CB 4.18Å; P139-N141 PolarHBondContact O-N 3.08Å; N141-L143 PolarHBondContact O-N 2.94Å | ||
| 142 | R | 70.8 | Confident | 87.7 | Confident | 115 Ų | 115 | 49.7 Ų | 49.7 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | trans | -78.1 | 82.3 | 160.9 | -72.3 | -168.3 | -172.6 | 178.8 | 7 | 107.6 | E140 G144 | E140-R142 PolarHBondContact O-N 2.89Å; R142-G144 PolarHBondContact O-N 2.7Å | ||
| 143 | L | 89.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | trans | -69.7 | -14 | 176 | -56.9 | 175 | 0 | 0 | 0 | 112.2 | N141 L169 K170 I240 L274 E275 P276 | N141-L143 PolarHBondContact O-N 2.94Å; L143-L169 WeakPolarHBondContact O-CA 3.17Å; L143-K170 HydrophobicContact CD2-CB 4.35Å; L143-K170 HydrophobicContact CD2-CD 3.81Å; L143-K170 PolarHBondContact O-N 3.09Å; L143-I240 HydrophobicContact CB-CG2 4.36Å; L143-I240 WeakPolarHBondContact CB-O 3.43Å; L143-I240 WeakPolarHBondContact CD1-O 3.23Å; L143-I240 WeakPolarHBondContact CD2-O 3.45Å; L143-I240 WeakPolarHBondContact O-CG2 3.47Å; L143-L274 HydrophobicContact CB-CB 3.8Å; L143-E275 WeakPolarHBondContact CD1-O 3.23Å; L143-P276 VanDerWaalsContact CD1-CA 3.49Å; L143-P276 HydrophobicContact CD1-CB 4.21Å; L143-P276 HydrophobicContact CD1-CG 3.9Å | ||
| 144 | G | 89.6 | Confident | 87.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | trans | 116.3 | -173.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | R142 K167 N168 L274 | R142-G144 PolarHBondContact O-N 2.7Å; G144-K167 WeakPolarHBondContact CA-O 3.3Å; G144-N168 WeakPolarHBondContact CA-O 3.23Å; G144-L274 WeakPolarHBondContact O-CB 3.24Å; G144-L274 WeakPolarHBondContact O-CG 3.34Å; G144-L274 PolarHBondContact O-N 2.74Å | ||
| 145 | E | 89.8 | Confident | 87.6 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.5 | 176.9 | -57.7 | 178.6 | 90.8 | 0 | 0 | 109.8 | A166 K167 W271 H272 | E145-A166 CarbonylContact O-C 3.56Å; E145-A166 WeakPolarHBondContact O-CA 3.16Å; E145-A166 VanDerWaalsContact O-CB 3.3Å; E145-A166 WeakPolarHBondContact O-CB 3.2Å; E145-K167 HydrophobicContact CB-CG 4.22Å; E145-K167 PolarHBondContact N-O 3.43Å; E145-K167 PolarHBondContact O-N 3.49Å; E145-K167 WeakPolarHBondContact OE2-CE 3.39Å; E145-K167 IonicContact OE2-NZ 2.9Å; E145-W271 HydrophobicContact CB-CE3 3.81Å; E145-W271 HydrophobicContact CB-CZ3 4.23Å; E145-H272 CarbonylContact C-O 3.57Å; E145-H272 VanDerWaalsContact CA-O 3.23Å; E145-H272 WeakPolarHBondContact CA-O 3.22Å |
| 146 | V | 96.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.3 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | L148 V163 A166 V228 I243 H272 L274 | V146-L148 HydrophobicContact CG1-CG 4.48Å; V146-L148 HydrophobicContact CG2-CD2 4.04Å; V146-L148 HydrophobicContact CG2-CG 4.36Å; V146-V163 HydrophobicContact CG2-CG1 4.46Å; V146-A166 HydrophobicContact CB-CB 4.36Å; V146-A166 HydrophobicContact CG2-CB 4.4Å; V146-V228 HydrophobicContact CB-CG2 4.42Å; V146-I243 HydrophobicContact CG1-CD1 3.72Å; V146-H272 HydrophobicContact CG1-CB 4.4Å; V146-H272 PolarHBondContact N-O 3.43Å; V146-H272 PolarHBondContact O-N 2.73Å; V146-L274 HydrophobicContact CB-CD2 4.39Å; V146-L274 HydrophobicContact CG1-CD2 3.86Å |
| 147 | C | 96.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.2 | 174 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | M164 E165 W271 | C147-M164 HydrophobicContact CB-CB 4.22Å; C147-M164 PolarHBondContact O-N 3.06Å; C147-E165 HydrophobicContact CB-CG 4.06Å; C147-E165 PolarHBondContact N-O 3.15Å; C147-W271 HydrophobicContact CB-CD2 3.71Å; C147-W271 HydrophobicContact CB-CE3 3.75Å; C147-W271 HydrophobicContact CB-CG 4.36Å; C147-W271 HydrophobicContact CB-CH2 3.94Å; C147-W271 HydrophobicContact CB-CZ2 3.88Å; C147-W271 HydrophobicContact CB-CZ3 3.86Å |
| 148 | L | 97.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.9 | 178.8 | -60.9 | 176.4 | 0 | 0 | 0 | 109.6 | V146 V162 V163 I226 I243 I245 H256 A269 Q270 | V146-L148 HydrophobicContact CG1-CG 4.48Å; V146-L148 HydrophobicContact CG2-CD2 4.04Å; V146-L148 HydrophobicContact CG2-CG 4.36Å; L148-V162 CarbonylContact C-O 3.56Å; L148-V162 WeakPolarHBondContact CA-O 3.09Å; L148-V163 HydrophobicContact CD2-CB 4.28Å; L148-V163 HydrophobicContact CD2-CG1 4.3Å; L148-V163 HydrophobicContact CD2-CG2 3.93Å; L148-I226 HydrophobicContact CD1-CB 4.47Å; L148-I226 HydrophobicContact CD1-CD1 4.12Å; L148-I226 HydrophobicContact CD1-CG1 3.79Å; L148-I226 HydrophobicContact CD1-CG2 4.32Å; L148-I243 HydrophobicContact CD1-CD1 3.73Å; L148-I245 HydrophobicContact CD1-CD1 3.66Å; L148-H256 PolarHBondContact O-CE1 2.94Å; L148-A269 CarbonylContact O-C 3.56Å; L148-A269 WeakPolarHBondContact O-CA 3.43Å; L148-Q270 PolarHBondContact N-O 3.31Å; L148-Q270 PolarHBondContact O-N 2.81Å |
| 149 | A | 98.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | V162 M164 T268 A269 | A149-V162 HydrophobicContact CB-CB 4.04Å; A149-V162 HydrophobicContact CB-CG2 4.45Å; A149-V162 PolarHBondContact N-O 3.22Å; A149-V162 PolarHBondContact O-N 3.5Å; A149-M164 HydrophobicContact CB-CG 4.45Å; A149-M164 HydrophobicContact CB-SD 4.01Å; A149-T268 CarbonylContact C-O 3.58Å; A149-T268 WeakPolarHBondContact CA-O 3.21Å; A149-A269 HydrophobicContact CB-CB 4.19Å |
| 150 | L | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.3 | 179.1 | -62.4 | -178.6 | 0 | 0 | 0 | 110.6 | N160 V161 L224 I245 H256 W257 M260 S267 T268 | L150-N160 WeakPolarHBondContact CA-O 3.38Å; L150-V161 HydrophobicContact CD2-CB 4.17Å; L150-V161 HydrophobicContact CD2-CG1 3.92Å; L150-V161 HydrophobicContact CD2-CG2 3.77Å; L150-L224 HydrophobicContact CD2-CD1 3.94Å; L150-I245 HydrophobicContact CD1-CG2 4.12Å; L150-H256 VanDerWaalsContact CG-CE1 3.45Å; L150-H256 WeakPolarHBondContact CG-CE1 3.49Å; L150-W257 HydrophobicContact CD1-CE3 4.29Å; L150-M260 HydrophobicContact CB-CB 4.1Å; L150-M260 HydrophobicContact CB-CG 3.94Å; L150-M260 HydrophobicContact CB-SD 3.64Å; L150-M260 HydrophobicContact CD1-SD 4.3Å; L150-M260 HydrophobicContact CG-SD 4.48Å; L150-S267 WeakPolarHBondContact O-CA 3.38Å; L150-T268 PolarHBondContact N-O 2.79Å; L150-T268 PolarHBondContact O-N 3.04Å; L150-T268 PolarHBondContact O-OG1 2.94Å |
| 151 | R | 97.7 | Very high | 92.5 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 127.1 | 176.6 | 177.6 | 175.5 | -176 | -94.2 | -2.3 | 110.5 | N160 R265 | R151-N160 HydrophobicContact CB-CB 4.35Å; R151-N160 PolarHBondContact N-O 3.18Å; R151-N160 PolarHBondContact O-N 2.92Å; R151-R265 PolarHBondContact NE-O 2.92Å; R151-R265 PolarHBondContact NH2-O 2.91Å; R151-R265 VanDerWaalsContact NH2-O 3.14Å |
| 152 | Y | 97.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.1 | 174.3 | -172.6 | -117.2 | 0 | 0 | 0 | 112.2 | P154 N157 K158 L159 V217 P219 I261 R265 | Y152-P154 HydrophobicContact CD1-CB 4.47Å; Y152-P154 HydrophobicContact CD1-CG 3.83Å; Y152-P154 HydrophobicContact CE1-CB 3.95Å; Y152-P154 HydrophobicContact CE1-CG 3.8Å; Y152-N157 PolarHBondContact OH-OD1 3.02Å; Y152-K158 WeakPolarHBondContact CD2-O 3.21Å; Y152-L159 HydrophobicContact CD2-CB 4.19Å; Y152-V217 WeakPolarHBondContact CE2-O 3.22Å; Y152-P219 HydrophobicContact CD1-CG 4.21Å; Y152-P219 HydrophobicContact CD2-CG 4.49Å; Y152-P219 HydrophobicContact CE1-CG 3.88Å; Y152-P219 HydrophobicContact CE2-CG 4.2Å; Y152-P219 VanDerWaalsContact OH-CD 3.29Å; Y152-P219 WeakPolarHBondContact OH-CD 3.43Å; Y152-I261 HydrophobicContact CD1-CD1 4.46Å; Y152-R265 PolarHBondContact O-N 2.85Å |
| 153 | V | 96.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 9% | 0.085 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 95.1 | 177.7 | -179 | 0 | 0 | 0 | 0 | 108.6 | N155 K156 N157 K158 R265 | V153-N155 WeakPolarHBondContact CG1-OD1 3.19Å; V153-N155 PolarHBondContact O-N 2.95Å; V153-K156 HydrophobicContact CG1-CB 4.02Å; V153-K156 HydrophobicContact CG1-CD 4.26Å; V153-K156 HydrophobicContact CG1-CG 4.05Å; V153-K156 PolarHBondContact O-N 2.93Å; V153-K156 VanDerWaalsContact O-N 3.15Å; V153-N157 PolarHBondContact O-N 3.18Å; V153-N157 VanDerWaalsContact O-N 3.13Å; V153-K158 HydrophobicContact CB-CB 4.38Å; V153-K158 PolarHBondContact N-O 3.21Å; V153-K158 PolarHBondContact O-N 3.02Å; V153-R265 HydrophobicContact CG1-CG 4.47Å; V153-R265 HydrophobicContact CG2-CG 4.46Å |
| 154 | P | 94.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -58.4 | -45 | -169.9 | -27.2 | 33.7 | 0 | 0 | 0 | 114.6 | Y152 K156 N157 P264 | Y152-P154 HydrophobicContact CD1-CB 4.47Å; Y152-P154 HydrophobicContact CD1-CG 3.83Å; Y152-P154 HydrophobicContact CE1-CB 3.95Å; Y152-P154 HydrophobicContact CE1-CG 3.8Å; P154-K156 PolarHBondContact O-N 2.91Å; P154-K156 VanDerWaalsContact O-N 3.1Å; P154-N157 PolarHBondContact O-N 2.89Å; P154-N157 PolarHBondContact O-OD1 3.29Å; P154-P264 HydrophobicContact CG-CB 4.1Å |
| 155 | N | 93.7 | Very high | 96.6 | Very high | 126 Ų | 126 | 41.8 Ų | 41.8 | 67% | 0.674 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -67.4 | -12.9 | -178 | 66.5 | -25.4 | 0 | 0 | 0 | 114.5 | V153 | V153-N155 WeakPolarHBondContact CG1-OD1 3.19Å; V153-N155 PolarHBondContact O-N 2.95Å |
| 156 | K | 94.3 | Very high | 96.9 | Very high | 148 Ų | 148 | 39.8 Ų | 39.8 | 64% | 0.643 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -112.1 | 1.3 | 175.3 | -63.3 | -171.4 | 176.7 | -171.5 | 0 | 112.4 | V153 P154 K158 | V153-K156 HydrophobicContact CG1-CB 4.02Å; V153-K156 HydrophobicContact CG1-CD 4.26Å; V153-K156 HydrophobicContact CG1-CG 4.05Å; V153-K156 PolarHBondContact O-N 2.93Å; V153-K156 VanDerWaalsContact O-N 3.15Å; P154-K156 PolarHBondContact O-N 2.91Å; P154-K156 VanDerWaalsContact O-N 3.1Å; K156-K158 HydrophobicContact CB-CB 4.03Å; K156-K158 PolarHBondContact O-N 2.7Å; K156-K158 VanDerWaalsContact O-N 3.13Å |
| 157 | N | 95.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 43.7 | -167.7 | -66.7 | -39.4 | 0 | 0 | 0 | 112.1 | Y152 V153 P154 E216 V217 | Y152-N157 PolarHBondContact OH-OD1 3.02Å; V153-N157 PolarHBondContact O-N 3.18Å; V153-N157 VanDerWaalsContact O-N 3.13Å; P154-N157 PolarHBondContact O-N 2.89Å; P154-N157 PolarHBondContact O-OD1 3.29Å; N157-E216 CarbonylContact O-C 3.51Å; N157-E216 VanDerWaalsContact O-CA 3.3Å; N157-E216 WeakPolarHBondContact O-CA 3.39Å; N157-V217 CarbonylContact C-O 3.41Å; N157-V217 PolarHBondContact O-N 2.78Å; N157-V217 VanDerWaalsContact O-O 3.06Å |
| 158 | K | 96.6 | Very high | 96.1 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.1 | -171.4 | -170.2 | 169 | -176.1 | 165.7 | 0 | 111.1 | Y152 V153 K156 F215 | Y152-K158 WeakPolarHBondContact CD2-O 3.21Å; V153-K158 HydrophobicContact CB-CB 4.38Å; V153-K158 PolarHBondContact N-O 3.21Å; V153-K158 PolarHBondContact O-N 3.02Å; K156-K158 HydrophobicContact CB-CB 4.03Å; K156-K158 PolarHBondContact O-N 2.7Å; K156-K158 VanDerWaalsContact O-N 3.13Å; K158-F215 WeakPolarHBondContact CA-O 3.5Å |
| 159 | L | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.5 | 169.7 | 173.6 | 59.1 | 0 | 0 | 0 | 109.2 | Y152 V161 G214 F215 V217 L224 W257 M260 | Y152-L159 HydrophobicContact CD2-CB 4.19Å; L159-V161 HydrophobicContact CG-CG2 4.31Å; L159-G214 CarbonylContact O-C 3.59Å; L159-G214 WeakPolarHBondContact O-CA 3.22Å; L159-F215 HydrophobicContact CB-CB 4.36Å; L159-F215 PolarHBondContact N-O 3.22Å; L159-F215 PolarHBondContact O-N 3.09Å; L159-V217 HydrophobicContact CB-CG1 3.96Å; L159-V217 HydrophobicContact CD2-CG1 4.27Å; L159-L224 HydrophobicContact CD2-CD1 4.24Å; L159-L224 HydrophobicContact CD2-CD2 4.23Å; L159-L224 HydrophobicContact CD2-CG 4.39Å; L159-W257 HydrophobicContact CD2-CH2 3.98Å; L159-W257 HydrophobicContact CD2-CZ3 4.25Å; L159-M260 HydrophobicContact CD1-CE 4.05Å; L159-M260 HydrophobicContact CD1-SD 3.23Å; L159-M260 WeakPolarHBondContact CD1-SD 3.04Å |
| 160 | N | 97.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.5 | 173.3 | -171 | -110.5 | 0 | 0 | 0 | 110.2 | L150 R151 S212 F213 | L150-N160 WeakPolarHBondContact CA-O 3.38Å; R151-N160 HydrophobicContact CB-CB 4.35Å; R151-N160 PolarHBondContact N-O 3.18Å; R151-N160 PolarHBondContact O-N 2.92Å; N160-S212 PolarHBondContact ND2-OG 3.18Å; N160-S212 PolarHBondContact OD1-OG 3.45Å; N160-F213 CarbonylContact C-O 3.51Å; N160-F213 WeakPolarHBondContact CA-O 3.4Å; N160-F213 PolarHBondContact ND2-O 2.87Å; N160-F213 VanDerWaalsContact ND2-O 3.13Å |
| 161 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.2 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | L150 L159 I184 F213 F215 L224 I226 | L150-V161 HydrophobicContact CD2-CB 4.17Å; L150-V161 HydrophobicContact CD2-CG1 3.92Å; L150-V161 HydrophobicContact CD2-CG2 3.77Å; L159-V161 HydrophobicContact CG-CG2 4.31Å; V161-I184 HydrophobicContact CB-CD1 4.47Å; V161-I184 HydrophobicContact CG1-CD1 4.1Å; V161-F213 PolarHBondContact N-O 2.88Å; V161-F213 PolarHBondContact O-N 3.33Å; V161-F215 HydrophobicContact CB-CE2 4.38Å; V161-F215 HydrophobicContact CG2-CD2 4.12Å; V161-F215 HydrophobicContact CG2-CE2 3.81Å; V161-L224 HydrophobicContact CG2-CD1 3.57Å; V161-L224 HydrophobicContact CG2-CD2 4.4Å; V161-I226 HydrophobicContact CG1-CD1 4.42Å |
| 162 | V | 98.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.7 | 170.3 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | L148 A149 M164 E211 | L148-V162 CarbonylContact C-O 3.56Å; L148-V162 WeakPolarHBondContact CA-O 3.09Å; A149-V162 HydrophobicContact CB-CB 4.04Å; A149-V162 HydrophobicContact CB-CG2 4.45Å; A149-V162 PolarHBondContact N-O 3.22Å; A149-V162 PolarHBondContact O-N 3.5Å; V162-M164 HydrophobicContact CG1-CG 4.05Å; V162-M164 PolarHBondContact O-N 3Å; V162-E211 CarbonylContact C-O 3.57Å; V162-E211 WeakPolarHBondContact CA-O 3.37Å |
| 163 | V | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 106.8 | 167.1 | -175.4 | 0 | 0 | 0 | 0 | 106.4 | V146 L148 V182 I184 T198 Y209 N210 E211 F213 | V146-V163 HydrophobicContact CG2-CG1 4.46Å; L148-V163 HydrophobicContact CD2-CB 4.28Å; L148-V163 HydrophobicContact CD2-CG1 4.3Å; L148-V163 HydrophobicContact CD2-CG2 3.93Å; V163-V182 HydrophobicContact CG1-CB 4.14Å; V163-V182 HydrophobicContact CG1-CG1 4.39Å; V163-V182 HydrophobicContact CG1-CG2 3.81Å; V163-V182 HydrophobicContact CG2-CB 4.49Å; V163-V182 HydrophobicContact CG2-CG1 4.29Å; V163-I184 HydrophobicContact CG2-CD1 3.71Å; V163-I184 HydrophobicContact CG2-CG1 4.33Å; V163-T198 HydrophobicContact CB-CG2 3.91Å; V163-T198 HydrophobicContact CG1-CG2 4.03Å; V163-T198 HydrophobicContact CG2-CG2 3.94Å; V163-Y209 HydrophobicContact CG1-CD2 3.7Å; V163-Y209 HydrophobicContact CG1-CE2 4.33Å; V163-Y209 HydrophobicContact CG1-CG 4.1Å; V163-Y209 WeakPolarHBondContact O-CB 3.46Å; V163-N210 VanDerWaalsContact O-CA 3.27Å; V163-N210 WeakPolarHBondContact O-CA 3.36Å; V163-N210 PolarHBondContact O-N 3.28Å; V163-E211 PolarHBondContact N-O 3.05Å; V163-E211 PolarHBondContact O-N 3.21Å; V163-F213 HydrophobicContact CG2-CD2 4.32Å; V163-F213 HydrophobicContact CG2-CE2 4.06Å |
| 164 | M | 97.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -64.8 | -174.3 | -59.8 | -173.2 | 78.7 | 0 | 0 | 109.9 | C147 A149 V162 Y209 N210 A269 | C147-M164 HydrophobicContact CB-CB 4.22Å; C147-M164 PolarHBondContact O-N 3.06Å; A149-M164 HydrophobicContact CB-CG 4.45Å; A149-M164 HydrophobicContact CB-SD 4.01Å; V162-M164 HydrophobicContact CG1-CG 4.05Å; V162-M164 PolarHBondContact O-N 3Å; M164-Y209 PolarHBondContact O-N 3Å; M164-N210 PolarHBondContact O-N 3.35Å; M164-A269 HydrophobicContact SD-CB 4.03Å |
| 165 | E | 96.9 | Very high | 91.2 | Very high | 74 Ų | 74 | 64 Ų | 64 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 166 | -176 | 56.6 | -179.3 | -178.5 | 0 | 0 | 110.5 | C147 P207 Y208 W271 | C147-E165 HydrophobicContact CB-CG 4.06Å; C147-E165 PolarHBondContact N-O 3.15Å; E165-P207 CarbonylContact C-O 3.6Å; E165-P207 WeakPolarHBondContact CA-O 3.49Å; E165-P207 WeakPolarHBondContact CB-O 3.25Å; E165-Y208 HydrophobicContact CB-CD2 4.15Å; E165-W271 HydrophobicContact CG-CH2 3.66Å; E165-W271 HydrophobicContact CG-CZ2 4.04Å; E165-W271 WeakPolarHBondContact OE1-CZ2 3.49Å |
| 166 | A | 96.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E145 V146 L169 N206 P207 | E145-A166 CarbonylContact O-C 3.56Å; E145-A166 WeakPolarHBondContact O-CA 3.16Å; E145-A166 VanDerWaalsContact O-CB 3.3Å; E145-A166 WeakPolarHBondContact O-CB 3.2Å; V146-A166 HydrophobicContact CB-CB 4.36Å; V146-A166 HydrophobicContact CG2-CB 4.4Å; A166-L169 HydrophobicContact CB-CD1 4.11Å; A166-L169 HydrophobicContact CB-CD2 3.87Å; A166-L169 HydrophobicContact CB-CG 4.12Å; A166-N206 CarbonylContact O-C 3.57Å; A166-N206 VanDerWaalsContact O-C 3.3Å; A166-N206 WeakPolarHBondContact O-CA 3.32Å; A166-P207 HydrophobicContact CB-CG 3.81Å; A166-P207 PolarHBondContact N-O 3.27Å; A166-P207 WeakPolarHBondContact O-CD 3.2Å |
| 167 | K | 89.4 | Confident | 89.8 | Confident | 66 Ų | 66 | 56 Ų | 56 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.1 | 178.7 | 71.6 | -175 | 176.8 | -172.9 | 0 | 112.2 | G144 E145 L169 L205 N206 W271 | G144-K167 WeakPolarHBondContact CA-O 3.3Å; E145-K167 HydrophobicContact CB-CG 4.22Å; E145-K167 PolarHBondContact N-O 3.43Å; E145-K167 PolarHBondContact O-N 3.49Å; E145-K167 WeakPolarHBondContact OE2-CE 3.39Å; E145-K167 IonicContact OE2-NZ 2.9Å; K167-L169 PolarHBondContact O-N 3.24Å; K167-L205 CarbonylContact C-O 3.49Å; K167-N206 WeakPolarHBondContact CA-OD1 3.49Å; K167-N206 WeakPolarHBondContact CB-OD1 3.49Å; K167-W271 HydrophobicContact CB-CH2 4.19Å; K167-W271 HydrophobicContact CB-CZ3 4.21Å; K167-W271 HydrophobicContact CD-CE3 4.29Å; K167-W271 HydrophobicContact CD-CH2 3.59Å; K167-W271 HydrophobicContact CD-CZ2 4.12Å; K167-W271 HydrophobicContact CD-CZ3 3.7Å; K167-W271 HydrophobicContact CG-CE3 4.36Å; K167-W271 HydrophobicContact CG-CH2 3.85Å; K167-W271 HydrophobicContact CG-CZ3 3.59Å |
| 168 | N | 87.6 | Confident | 89.5 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 51.4 | 38.2 | 177.9 | -57 | -40.5 | 0 | 0 | 0 | 112.7 | G144 L205 N206 | G144-N168 WeakPolarHBondContact CA-O 3.23Å; N168-L205 PolarHBondContact N-O 2.87Å; N168-N206 PolarHBondContact N-OD1 3.49Å |
| 169 | L | 91.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.1 | 177.7 | -64.4 | -178.5 | 0 | 0 | 0 | 110.6 | L143 A166 K167 K171 P180 L205 P207 V228 I240 L274 | L143-L169 WeakPolarHBondContact O-CA 3.17Å; A166-L169 HydrophobicContact CB-CD1 4.11Å; A166-L169 HydrophobicContact CB-CD2 3.87Å; A166-L169 HydrophobicContact CB-CG 4.12Å; K167-L169 PolarHBondContact O-N 3.24Å; L169-K171 PolarHBondContact O-N 3.26Å; L169-P180 HydrophobicContact CD1-CB 3.5Å; L169-P180 VanDerWaalsContact CD1-CB 3.5Å; L169-P180 HydrophobicContact CD1-CG 3.78Å; L169-L205 HydrophobicContact CB-CB 4.26Å; L169-L205 HydrophobicContact CB-CD2 4.3Å; L169-L205 WeakPolarHBondContact CG-O 3.11Å; L169-L205 PolarHBondContact N-O 2.95Å; L169-L205 WeakPolarHBondContact O-CD1 3.43Å; L169-L205 WeakPolarHBondContact O-CD2 3.47Å; L169-P207 HydrophobicContact CD1-CG 3.82Å; L169-V228 HydrophobicContact CD1-CG1 3.99Å; L169-V228 HydrophobicContact CD2-CG1 4.01Å; L169-I240 HydrophobicContact CD1-CD1 4.35Å; L169-I240 HydrophobicContact CD2-CG2 4.42Å; L169-L274 HydrophobicContact CD2-CD1 3.61Å |
| 170 | K | 87.1 | Confident | 89.4 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.9 | 171.5 | 179.8 | 170.4 | -177 | 168.7 | 0 | 109.5 | E140 L143 M172 S178 I240 | E140-K170 IonicContact OE2-NZ 3.41Å; E140-K170 PolarHBondContact OE2-NZ 2.73Å; L143-K170 HydrophobicContact CD2-CB 4.35Å; L143-K170 HydrophobicContact CD2-CD 3.81Å; L143-K170 PolarHBondContact O-N 3.09Å; K170-M172 HydrophobicContact CD-SD 4.11Å; K170-M172 HydrophobicContact CG-SD 4.03Å; K170-M172 PolarHBondContact O-N 3Å; K170-S178 PolarHBondContact O-OG 2.61Å; K170-I240 HydrophobicContact CB-CG2 4.22Å |
| 171 | K | 86.3 | Confident | 89.4 | Confident | 102 Ų | 102 | 47.1 Ų | 47.1 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 126.6 | 169.4 | 175.4 | 178.7 | 164.4 | 170.3 | 0 | 109 | L169 D173 G176 L177 S178 L205 | L169-K171 PolarHBondContact O-N 3.26Å; K171-D173 WeakPolarHBondContact CE-O 3.38Å; K171-G176 WeakPolarHBondContact CD-O 3.03Å; K171-G176 WeakPolarHBondContact CE-O 3.43Å; K171-G176 PolarHBondContact NZ-O 3.39Å; K171-L177 WeakPolarHBondContact CG-O 3.31Å; K171-S178 WeakPolarHBondContact CA-OG 3.5Å; K171-L205 HydrophobicContact CB-CD1 4.41Å; K171-L205 HydrophobicContact CB-CD2 4.36Å |
| 172 | M | 85 | Confident | 89.4 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | trans | -115.2 | -36.5 | -177.6 | -66.8 | -57.6 | -70.4 | 0 | 0 | 111.8 | K170 S178 D230 D238 I240 | K170-M172 HydrophobicContact CD-SD 4.11Å; K170-M172 HydrophobicContact CG-SD 4.03Å; K170-M172 PolarHBondContact O-N 3Å; M172-S178 PolarHBondContact N-OG 3.34Å; M172-S178 VanDerWaalsContact N-OG 3.08Å; M172-D230 HydrophobicContact CB-CB 3.83Å; M172-D230 WeakPolarHBondContact CB-OD2 3.27Å; M172-D230 HydrophobicContact CG-CB 4.13Å; M172-D238 HydrophobicContact CE-CB 3.64Å; M172-I240 HydrophobicContact CG-CD1 4.33Å; M172-I240 HydrophobicContact CG-CG1 3.53Å; M172-I240 HydrophobicContact SD-CG1 4.46Å | ||
| 173 | D | 80.1 | Confident | 89.4 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | trans | -63.6 | 137.1 | 174.6 | -65.6 | -50.1 | 0 | 0 | 0 | 112.7 | K171 I175 L177 | K171-D173 WeakPolarHBondContact CE-O 3.38Å; D173-I175 VanDerWaalsContact C-N 3.34Å; D173-I175 PolarHBondContact O-N 2.96Å; D173-L177 WeakPolarHBondContact CB-O 3.39Å; D173-L177 PolarHBondContact N-O 3.23Å | ||
| 174 | V | 74.5 | Confident | 89.4 | Confident | 140 Ų | 140 | 47.5 Ų | 47.5 | 85% | 0.848 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -62.4 | -44.1 | 169.2 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 175 | I | 71.9 | Confident | 89.4 | Confident | 142 Ų | 142 | 46.3 Ų | 46.3 | 73% | 0.728 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -117.7 | 95 | -178.8 | -55.6 | 174.3 | 0 | 0 | 0 | 108.9 | D173 | D173-I175 VanDerWaalsContact C-N 3.34Å; D173-I175 PolarHBondContact O-N 2.96Å |
| 176 | G | 75.2 | Confident | 89.4 | Confident | 33 Ų | 33 | 43 Ų | 43 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 138.4 | -152 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K171 | K171-G176 WeakPolarHBondContact CD-O 3.03Å; K171-G176 WeakPolarHBondContact CE-O 3.43Å; K171-G176 PolarHBondContact NZ-O 3.39Å |
| 177 | L | 83.6 | Confident | 89.4 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -107.3 | -115.3 | 169.7 | -68.3 | -179.5 | 0 | 0 | 0 | 107.7 | K171 D173 L205 | K171-L177 WeakPolarHBondContact CG-O 3.31Å; D173-L177 WeakPolarHBondContact CB-O 3.39Å; D173-L177 PolarHBondContact N-O 3.23Å; L177-L205 HydrophobicContact CB-CD2 4.12Å; L177-L205 HydrophobicContact CB-CG 4.19Å; L177-L205 HydrophobicContact CD1-CG 4.48Å; L177-L205 HydrophobicContact CD2-CD1 4.08Å; L177-L205 HydrophobicContact CD2-CG 4.23Å |
| 178 | S | 89.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -135.9 | 159.8 | 165.1 | -50.2 | 0 | 0 | 0 | 0 | 107 | K170 K171 M172 P180 K203 T204 L205 D230 | K170-S178 PolarHBondContact O-OG 2.61Å; K171-S178 WeakPolarHBondContact CA-OG 3.5Å; M172-S178 PolarHBondContact N-OG 3.34Å; M172-S178 VanDerWaalsContact N-OG 3.08Å; S178-P180 WeakPolarHBondContact O-CD 3.44Å; S178-K203 CarbonylContact O-C 3.58Å; S178-K203 VanDerWaalsContact O-CA 3.24Å; S178-K203 WeakPolarHBondContact O-CA 3.48Å; S178-K203 PolarHBondContact O-N 2.83Å; S178-K203 VanDerWaalsContact O-N 3.13Å; S178-T204 PolarHBondContact O-N 2.83Å; S178-L205 WeakPolarHBondContact OG-CD2 3.3Å; S178-D230 WeakPolarHBondContact CA-OD1 3.37Å; S178-D230 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 179 | D | 94.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | trans | -106.4 | 65.5 | 172.2 | -68.5 | -21.4 | 0 | 0 | 0 | 110.7 | I200 K201 M202 K203 D230 Y231 | D179-I200 HydrophobicContact CB-CG2 4.14Å; D179-K201 CarbonylContact C-O 3.55Å; D179-K201 VanDerWaalsContact C-O 3.27Å; D179-K201 VanDerWaalsContact CA-O 3.24Å; D179-K201 WeakPolarHBondContact CA-O 3.43Å; D179-M202 HydrophobicContact CB-SD 4.04Å; D179-M202 VanDerWaalsContact CG-SD 3.56Å; D179-M202 VanDerWaalsContact OD1-CA 3.22Å; D179-M202 WeakPolarHBondContact OD1-CA 3.46Å; D179-M202 VanDerWaalsContact OD2-SD 3.4Å; D179-K203 PolarHBondContact OD1-N 3.43Å; D179-D230 WeakPolarHBondContact CA-OD1 3.41Å; D179-D230 PolarHBondContact N-OD1 2.98Å; D179-Y231 WeakPolarHBondContact O-CB 3.49Å; D179-Y231 PolarHBondContact O-N 2.84Å; D179-Y231 VanDerWaalsContact O-N 3.11Å | ||
| 180 | P | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -69.6 | 142.1 | -165.2 | 29 | -41.3 | 0 | 0 | 0 | 115.4 | L169 S178 K201 T204 P207 Y209 V228 M229 I240 | L169-P180 HydrophobicContact CD1-CB 3.5Å; L169-P180 VanDerWaalsContact CD1-CB 3.5Å; L169-P180 HydrophobicContact CD1-CG 3.78Å; S178-P180 WeakPolarHBondContact O-CD 3.44Å; P180-K201 WeakPolarHBondContact CD-O 3.47Å; P180-K201 HydrophobicContact CG-CB 4.48Å; P180-K201 PolarHBondContact O-N 2.87Å; P180-T204 WeakPolarHBondContact CD-O 3.29Å; P180-T204 HydrophobicContact CG-CG2 4.05Å; P180-T204 VanDerWaalsContact CG-O 3.3Å; P180-T204 WeakPolarHBondContact CG-O 3.3Å; P180-P207 HydrophobicContact CB-CG 4.13Å; P180-P207 HydrophobicContact CG-CB 3.81Å; P180-P207 HydrophobicContact CG-CG 3.58Å; P180-Y209 WeakPolarHBondContact CB-OH 3.33Å; P180-Y209 PolarHBondContact O-OH 2.96Å; P180-V228 HydrophobicContact CB-CG1 4.36Å; P180-M229 CarbonylContact C-O 3.53Å; P180-M229 VanDerWaalsContact CA-O 3.23Å; P180-M229 WeakPolarHBondContact CA-O 3.38Å; P180-I240 HydrophobicContact CB-CD1 4.37Å | ||
| 181 | Y | 98.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.3 | 164.3 | 72.1 | -77.1 | 0 | 0 | 0 | 111.3 | K183 K197 I200 Y209 M229 N237 | Y181-K183 HydrophobicContact CD2-CG 4.3Å; Y181-K183 HydrophobicContact CE2-CD 4.2Å; Y181-K183 VanDerWaalsContact CE2-CE 3.44Å; Y181-K183 HydrophobicContact CE2-CG 3.74Å; Y181-K183 WeakPolarHBondContact OH-CE 3.3Å; Y181-K183 PolarHBondContact OH-NZ 3.36Å; Y181-K197 HydrophobicContact CD2-CB 4.44Å; Y181-I200 HydrophobicContact CD1-CG1 4.12Å; Y181-I200 HydrophobicContact CG-CG1 4.09Å; Y181-Y209 PolarHBondContact N-OH 3.11Å; Y181-M229 HydrophobicContact CD1-CB 3.77Å; Y181-M229 HydrophobicContact CD2-CB 4.39Å; Y181-M229 HydrophobicContact CE1-CB 3.29Å; Y181-M229 HydrophobicContact CE1-CG 4.14Å; Y181-M229 HydrophobicContact CE2-CB 4Å; Y181-M229 HydrophobicContact CE2-CG 3.97Å; Y181-M229 HydrophobicContact CG-CB 4.29Å; Y181-M229 VanDerWaalsContact CZ-CB 3.4Å; Y181-M229 PolarHBondContact N-O 2.88Å; Y181-M229 PolarHBondContact O-N 2.88Å; Y181-N237 HydrophobicContact CE1-CB 4.43Å; Y181-N237 PolarHBondContact OH-ND2 2.82Å |
| 182 | V | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.9 | -175.6 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | V163 I184 K197 T198 Y209 I226 T227 V228 | V163-V182 HydrophobicContact CG1-CB 4.14Å; V163-V182 HydrophobicContact CG1-CG1 4.39Å; V163-V182 HydrophobicContact CG1-CG2 3.81Å; V163-V182 HydrophobicContact CG2-CB 4.49Å; V163-V182 HydrophobicContact CG2-CG1 4.29Å; V182-I184 HydrophobicContact CG1-CG1 4.49Å; V182-K197 CarbonylContact O-C 3.48Å; V182-K197 WeakPolarHBondContact O-CA 3.43Å; V182-T198 HydrophobicContact CB-CG2 3.86Å; V182-T198 HydrophobicContact CG2-CG2 4.42Å; V182-T198 PolarHBondContact N-OG1 3.44Å; V182-T198 PolarHBondContact O-N 2.8Å; V182-Y209 HydrophobicContact CG2-CD2 4.5Å; V182-Y209 HydrophobicContact CG2-CE2 3.86Å; V182-I226 HydrophobicContact CG1-CG2 3.41Å; V182-I226 VanDerWaalsContact CG1-CG2 3.41Å; V182-T227 WeakPolarHBondContact CA-O 3.37Å; V182-V228 HydrophobicContact CG2-CG2 4.16Å |
| 183 | K | 98.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.7 | 168.1 | -66.3 | 177.8 | -174.5 | 155.1 | 0 | 109.5 | Y181 Y185 I226 T227 M229 | Y181-K183 HydrophobicContact CD2-CG 4.3Å; Y181-K183 HydrophobicContact CE2-CD 4.2Å; Y181-K183 VanDerWaalsContact CE2-CE 3.44Å; Y181-K183 HydrophobicContact CE2-CG 3.74Å; Y181-K183 WeakPolarHBondContact OH-CE 3.3Å; Y181-K183 PolarHBondContact OH-NZ 3.36Å; K183-Y185 HydrophobicContact CB-CE2 3.94Å; K183-Y185 HydrophobicContact CD-CE2 4.38Å; K183-Y185 WeakPolarHBondContact CD-OH 3.4Å; K183-I226 WeakPolarHBondContact O-CA 3.19Å; K183-T227 PolarHBondContact N-O 3.03Å; K183-T227 PolarHBondContact O-N 2.91Å; K183-M229 HydrophobicContact CD-CG 3.78Å; K183-M229 HydrophobicContact CD-SD 3.98Å; K183-M229 HydrophobicContact CG-CG 3.96Å; K183-M229 PolarHBondContact NZ-SD 3.3Å; K183-M229 VanDerWaalsContact NZ-SD 3.44Å |
| 184 | I | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.1 | 176.4 | -51.6 | 171.6 | 0 | 0 | 0 | 107.6 | V161 V163 V182 K195 K196 F213 F215 L224 I226 | V161-I184 HydrophobicContact CB-CD1 4.47Å; V161-I184 HydrophobicContact CG1-CD1 4.1Å; V163-I184 HydrophobicContact CG2-CD1 3.71Å; V163-I184 HydrophobicContact CG2-CG1 4.33Å; V182-I184 HydrophobicContact CG1-CG1 4.49Å; I184-K195 CarbonylContact O-C 3.42Å; I184-K195 WeakPolarHBondContact O-CA 3.4Å; I184-K196 HydrophobicContact CB-CB 4.37Å; I184-K196 PolarHBondContact N-O 3.37Å; I184-K196 PolarHBondContact O-N 3.4Å; I184-F213 HydrophobicContact CD1-CB 4.13Å; I184-F213 HydrophobicContact CD1-CD2 3.28Å; I184-F213 HydrophobicContact CD1-CE2 3.83Å; I184-F213 HydrophobicContact CD1-CG 3.76Å; I184-F215 HydrophobicContact CB-CZ 4.33Å; I184-F215 HydrophobicContact CG2-CE2 3.9Å; I184-F215 HydrophobicContact CG2-CZ 3.57Å; I184-L224 HydrophobicContact CG2-CD2 4.2Å; I184-I226 HydrophobicContact CB-CD1 4.04Å; I184-I226 HydrophobicContact CG1-CD1 3.76Å; I184-I226 HydrophobicContact CG2-CD1 3.63Å |
| 185 | Y | 97.7 | Very high | 93.2 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.4 | 173.7 | -57.8 | -75.8 | 0 | 0 | 0 | 110 | K183 R192 E194 K195 L224 V225 | K183-Y185 HydrophobicContact CB-CE2 3.94Å; K183-Y185 HydrophobicContact CD-CE2 4.38Å; K183-Y185 WeakPolarHBondContact CD-OH 3.4Å; Y185-R192 HydrophobicContact CD1-CG 4.13Å; Y185-E194 WeakPolarHBondContact CA-O 3.38Å; Y185-K195 HydrophobicContact CD1-CB 3.91Å; Y185-K195 HydrophobicContact CD1-CD 4.31Å; Y185-K195 HydrophobicContact CD1-CG 3.77Å; Y185-K195 HydrophobicContact CE1-CB 4.04Å; Y185-K195 HydrophobicContact CE1-CD 3.58Å; Y185-K195 HydrophobicContact CE1-CG 3.51Å; Y185-L224 CarbonylContact O-C 3.56Å; Y185-L224 WeakPolarHBondContact O-CA 3.32Å; Y185-V225 HydrophobicContact CD2-CB 4.32Å; Y185-V225 HydrophobicContact CD2-CG1 4.34Å; Y185-V225 WeakPolarHBondContact CD2-O 3.42Å; Y185-V225 PolarHBondContact N-O 2.84Å; Y185-V225 PolarHBondContact O-N 2.83Å |
| 186 | L | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.8 | 165.7 | -177.8 | 70.1 | 0 | 0 | 0 | 108.6 | L193 E194 F215 V217 V222 L224 | L186-L193 HydrophobicContact CB-CB 4.47Å; L186-L193 HydrophobicContact CD2-CB 4.17Å; L186-L193 HydrophobicContact CD2-CD1 4.1Å; L186-L193 HydrophobicContact CG-CB 4.28Å; L186-L193 HydrophobicContact CG-CD1 4.26Å; L186-L193 PolarHBondContact O-N 3.46Å; L186-E194 HydrophobicContact CB-CB 4.29Å; L186-E194 PolarHBondContact N-O 2.89Å; L186-E194 PolarHBondContact O-N 3.13Å; L186-F215 HydrophobicContact CB-CD1 3.99Å; L186-F215 HydrophobicContact CB-CE1 4.09Å; L186-F215 HydrophobicContact CD2-CB 4.17Å; L186-F215 HydrophobicContact CD2-CD1 3.98Å; L186-F215 HydrophobicContact CD2-CG 4.33Å; L186-F215 HydrophobicContact CG-CD1 4.49Å; L186-V217 HydrophobicContact CD1-CG1 4.31Å; L186-V217 HydrophobicContact CD2-CB 4.16Å; L186-V217 HydrophobicContact CD2-CG1 4.38Å; L186-V217 HydrophobicContact CD2-CG2 4.14Å; L186-V222 HydrophobicContact CD1-CB 3.94Å; L186-V222 HydrophobicContact CD1-CG1 4.49Å; L186-V222 HydrophobicContact CD1-CG2 3.99Å; L186-L224 HydrophobicContact CD1-CD2 3.96Å |
| 187 | M | 97.2 | Very high | 95.6 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.6 | -173.9 | -57.5 | -64 | -71.3 | 0 | 0 | 111.2 | K191 R192 V222 H223 V225 | M187-K191 WeakPolarHBondContact CA-O 3.28Å; M187-R192 HydrophobicContact CE-CB 4.31Å; M187-R192 VanDerWaalsContact SD-CA 3.53Å; M187-R192 HydrophobicContact SD-CB 3.71Å; M187-R192 HydrophobicContact SD-CG 4.04Å; M187-V222 CarbonylContact O-C 3.55Å; M187-V222 WeakPolarHBondContact O-CA 3.47Å; M187-V222 VanDerWaalsContact O-CB 3.28Å; M187-V222 WeakPolarHBondContact O-CB 3.02Å; M187-H223 WeakPolarHBondContact CB-CE1 3.23Å; M187-H223 WeakPolarHBondContact CB-NE2 3.12Å; M187-H223 PolarHBondContact N-O 2.71Å; M187-H223 PolarHBondContact O-N 2.85Å; M187-V225 HydrophobicContact CG-CB 4.43Å; M187-V225 HydrophobicContact CG-CG2 3.67Å |
| 188 | L | 95.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 104.1 | 167.8 | 174.7 | 65.5 | 0 | 0 | 0 | 107.8 | N190 K191 L193 K221 V222 | L188-N190 PolarHBondContact O-N 2.87Å; L188-K191 PolarHBondContact N-O 3.4Å; L188-K191 WeakPolarHBondContact O-CB 3.46Å; L188-K191 PolarHBondContact O-N 2.97Å; L188-L193 HydrophobicContact CB-CD1 3.85Å; L188-L193 HydrophobicContact CB-CD2 4.13Å; L188-L193 HydrophobicContact CB-CG 4.01Å; L188-K221 HydrophobicContact CD1-CB 3.56Å; L188-K221 VanDerWaalsContact CD1-O 3.3Å; L188-K221 WeakPolarHBondContact CD1-O 3.3Å; L188-V222 HydrophobicContact CB-CG1 4.43Å; L188-V222 HydrophobicContact CD1-CG1 4.35Å |
| 189 | G | 90.7 | Very high | 96.7 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -129.5 | -163 | 0 | 0 | 0 | 0 | 0 | 110.1 | K191 H223 | G189-K191 VanDerWaalsContact C-N 3.31Å; G189-H223 PolarHBondContact O-CE1 3.01Å |
| 190 | N | 91.1 | Very high | 96.9 | Very high | 168 Ų | 168 | 59.6 Ų | 59.6 | 90% | 0.898 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.1 | 178.2 | -62.4 | -6.1 | 0 | 0 | 0 | 113.3 | L188 | L188-N190 PolarHBondContact O-N 2.87Š|
| 191 | K | 95.4 | Very high | 96.9 | Very high | 145 Ų | 145 | 62.6 Ų | 62.6 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.6 | -178.9 | -174.7 | 179.8 | 178.5 | 179.4 | 0 | 110.6 | M187 L188 G189 L193 | M187-K191 WeakPolarHBondContact CA-O 3.28Å; L188-K191 PolarHBondContact N-O 3.4Å; L188-K191 WeakPolarHBondContact O-CB 3.46Å; L188-K191 PolarHBondContact O-N 2.97Å; G189-K191 VanDerWaalsContact C-N 3.31Å; K191-L193 HydrophobicContact CD-CD2 4.24Å; K191-L193 HydrophobicContact CG-CD2 4.36Å; K191-L193 PolarHBondContact O-N 3.35Å |
| 192 | R | 96.6 | Very high | 96.7 | Very high | 149 Ų | 149 | 66.7 Ų | 66.7 | 56% | 0.562 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 120 | 167.4 | -176.3 | 178.1 | 64.9 | -163.2 | 4 | 110.4 | Y185 M187 | Y185-R192 HydrophobicContact CD1-CG 4.13Å; M187-R192 HydrophobicContact CE-CB 4.31Å; M187-R192 VanDerWaalsContact SD-CA 3.53Å; M187-R192 HydrophobicContact SD-CB 3.71Å; M187-R192 HydrophobicContact SD-CG 4.04Å |
| 193 | L | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 73.6 Ų | 73.6 | 41% | 0.408 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -50.9 | 177.2 | -61.1 | -175.2 | 0 | 0 | 0 | 111.8 | L186 L188 K191 V222 | L186-L193 HydrophobicContact CB-CB 4.47Å; L186-L193 HydrophobicContact CD2-CB 4.17Å; L186-L193 HydrophobicContact CD2-CD1 4.1Å; L186-L193 HydrophobicContact CG-CB 4.28Å; L186-L193 HydrophobicContact CG-CD1 4.26Å; L186-L193 PolarHBondContact O-N 3.46Å; L188-L193 HydrophobicContact CB-CD1 3.85Å; L188-L193 HydrophobicContact CB-CD2 4.13Å; L188-L193 HydrophobicContact CB-CG 4.01Å; K191-L193 HydrophobicContact CD-CD2 4.24Å; K191-L193 HydrophobicContact CG-CD2 4.36Å; K191-L193 PolarHBondContact O-N 3.35Å; L193-V222 HydrophobicContact CD1-CG1 4.23Å |
| 194 | E | 97.2 | Very high | 96 | Very high | 66 Ų | 66 | 74 Ų | 74 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.5 | -175.9 | -167.9 | 170.8 | -179.4 | 0 | 0 | 111.1 | Y185 L186 K196 F215 | Y185-E194 WeakPolarHBondContact CA-O 3.38Å; L186-E194 HydrophobicContact CB-CB 4.29Å; L186-E194 PolarHBondContact N-O 2.89Å; L186-E194 PolarHBondContact O-N 3.13Å; E194-K196 WeakPolarHBondContact OE1-CE 3.2Å; E194-K196 IonicContact OE1-NZ 2.65Å; E194-K196 PolarHBondContact OE1-NZ 3.43Å; E194-F215 HydrophobicContact CB-CD1 4.25Å; E194-F215 HydrophobicContact CB-CE1 4.2Å; E194-F215 HydrophobicContact CG-CD1 4.37Å; E194-F215 HydrophobicContact CG-CE1 4.18Å; E194-F215 WeakPolarHBondContact OE2-CD1 3.49Å |
| 195 | K | 97.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 75.7 Ų | 75.7 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.3 | 174.9 | -179.4 | -171.3 | -173.9 | 177.9 | 0 | 110.1 | I184 Y185 | I184-K195 CarbonylContact O-C 3.42Å; I184-K195 WeakPolarHBondContact O-CA 3.4Å; Y185-K195 HydrophobicContact CD1-CB 3.91Å; Y185-K195 HydrophobicContact CD1-CD 4.31Å; Y185-K195 HydrophobicContact CD1-CG 3.77Å; Y185-K195 HydrophobicContact CE1-CB 4.04Å; Y185-K195 HydrophobicContact CE1-CD 3.58Å; Y185-K195 HydrophobicContact CE1-CG 3.51Å |
| 196 | K | 98.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 78.3 Ų | 78.3 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 163.6 | 166.7 | -58.2 | -69.6 | -171.1 | -162.3 | 0 | 110.1 | I184 E194 F213 F215 | I184-K196 HydrophobicContact CB-CB 4.37Å; I184-K196 PolarHBondContact N-O 3.37Å; I184-K196 PolarHBondContact O-N 3.4Å; E194-K196 WeakPolarHBondContact OE1-CE 3.2Å; E194-K196 IonicContact OE1-NZ 2.65Å; E194-K196 PolarHBondContact OE1-NZ 3.43Å; K196-F213 HydrophobicContact CB-CB 4.4Å; K196-F213 HydrophobicContact CB-CD1 3.55Å; K196-F213 HydrophobicContact CB-CE1 4.07Å; K196-F213 HydrophobicContact CB-CG 4.06Å; K196-F213 HydrophobicContact CD-CD1 4.23Å; K196-F213 HydrophobicContact CG-CB 4.24Å; K196-F213 HydrophobicContact CG-CD1 3.91Å; K196-F213 HydrophobicContact CG-CG 4.37Å; K196-F215 HydrophobicContact CB-CZ 4.39Å; K196-F215 HydrophobicContact CG-CE1 3.84Å; K196-F215 HydrophobicContact CG-CZ 3.74Å |
| 197 | K | 98.2 | Very high | 95.3 | Very high | 134 Ų | 134 | 78.1 Ų | 78.1 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.3 | 172.8 | 66.7 | 174.4 | -175.7 | 172.7 | 0 | 111.4 | Y181 V182 F213 | Y181-K197 HydrophobicContact CD2-CB 4.44Å; V182-K197 CarbonylContact O-C 3.48Å; V182-K197 WeakPolarHBondContact O-CA 3.43Å; K197-F213 VanDerWaalsContact O-CE1 3.28Å; K197-F213 WeakPolarHBondContact O-CE1 3.38Å; K197-F213 WeakPolarHBondContact O-CZ 3.47Å |
| 198 | T | 98.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 83.3 Ų | 83.3 | 4% | 0.043 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 173.8 | 171.8 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | V163 V182 Y209 E211 F213 | V163-T198 HydrophobicContact CB-CG2 3.91Å; V163-T198 HydrophobicContact CG1-CG2 4.03Å; V163-T198 HydrophobicContact CG2-CG2 3.94Å; V182-T198 HydrophobicContact CB-CG2 3.86Å; V182-T198 HydrophobicContact CG2-CG2 4.42Å; V182-T198 PolarHBondContact N-OG1 3.44Å; V182-T198 PolarHBondContact O-N 2.8Å; T198-Y209 HydrophobicContact CG2-CD1 4.07Å; T198-Y209 HydrophobicContact CG2-CG 4.32Å; T198-Y209 WeakPolarHBondContact OG1-CE1 3.38Å; T198-E211 WeakPolarHBondContact CA-OE2 3.08Å; T198-E211 HydrophobicContact CG2-CB 4.46Å; T198-F213 HydrophobicContact CG2-CE2 3.86Å; T198-F213 HydrophobicContact CG2-CZ 3.93Å |
| 199 | S | 98.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 80.2 Ų | 80.2 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 156.9 | 157.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | K201 Y209 E211 | S199-K201 WeakPolarHBondContact OG-CE 3.24Å; S199-K201 PolarHBondContact OG-NZ 3.15Å; S199-Y209 WeakPolarHBondContact O-CE1 3.32Å; S199-E211 VanDerWaalsContact CB-OE1 3.25Å; S199-E211 WeakPolarHBondContact CB-OE1 3.49Å; S199-E211 PolarHBondContact N-OE1 2.84Å; S199-E211 PolarHBondContact N-OE2 3.04Å; S199-E211 PolarHBondContact OG-OE1 2.88Å |
| 200 | I | 97.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 131.5 | 173.7 | -63.4 | 159.6 | 0 | 0 | 0 | 108 | D179 Y181 M202 Y231 | D179-I200 HydrophobicContact CB-CG2 4.14Å; Y181-I200 HydrophobicContact CD1-CG1 4.12Å; Y181-I200 HydrophobicContact CG-CG1 4.09Å; I200-M202 HydrophobicContact CB-CE 4.48Å; I200-M202 HydrophobicContact CG2-CE 3.82Å; I200-M202 HydrophobicContact CG2-SD 3.98Å; I200-Y231 HydrophobicContact CD1-CD1 4.19Å; I200-Y231 HydrophobicContact CD1-CD2 3.6Å; I200-Y231 HydrophobicContact CD1-CE2 4.02Å; I200-Y231 HydrophobicContact CD1-CG 3.69Å; I200-Y231 HydrophobicContact CG1-CG 4.37Å; I200-Y231 HydrophobicContact CG2-CD1 4.29Å; I200-Y231 HydrophobicContact CG2-CG 4.19Å |
| 201 | K | 97.1 | Very high | 96.2 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | trans | -106.8 | 114.5 | 174.5 | -58.1 | -59.1 | 176.6 | 175.4 | 0 | 108.5 | D179 P180 S199 T204 P207 Y208 Y209 | D179-K201 CarbonylContact C-O 3.55Å; D179-K201 VanDerWaalsContact C-O 3.27Å; D179-K201 VanDerWaalsContact CA-O 3.24Å; D179-K201 WeakPolarHBondContact CA-O 3.43Å; P180-K201 WeakPolarHBondContact CD-O 3.47Å; P180-K201 HydrophobicContact CG-CB 4.48Å; P180-K201 PolarHBondContact O-N 2.87Å; S199-K201 WeakPolarHBondContact OG-CE 3.24Å; S199-K201 PolarHBondContact OG-NZ 3.15Å; K201-T204 HydrophobicContact CB-CG2 3.75Å; K201-P207 HydrophobicContact CB-CB 3.79Å; K201-P207 HydrophobicContact CG-CB 3.75Å; K201-Y208 WeakPolarHBondContact CE-O 3.45Å; K201-Y208 PolarHBondContact NZ-O 2.87Å; K201-Y209 HydrophobicContact CG-CD1 3.99Å; K201-Y209 HydrophobicContact CG-CE1 3.58Å | ||
| 202 | M | 93.7 | Very high | 96.3 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 48% | 0.478 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 140.2 | -173.7 | -58.1 | -68.5 | 176.6 | 0 | 0 | 111.5 | D179 I200 T204 Y231 | D179-M202 HydrophobicContact CB-SD 4.04Å; D179-M202 VanDerWaalsContact CG-SD 3.56Å; D179-M202 VanDerWaalsContact OD1-CA 3.22Å; D179-M202 WeakPolarHBondContact OD1-CA 3.46Å; D179-M202 VanDerWaalsContact OD2-SD 3.4Å; I200-M202 HydrophobicContact CB-CE 4.48Å; I200-M202 HydrophobicContact CG2-CE 3.82Å; I200-M202 HydrophobicContact CG2-SD 3.98Å; M202-T204 PolarHBondContact O-N 3.29Å; M202-Y231 HydrophobicContact CE-CD1 4.48Å |
| 203 | K | 91.3 | Very high | 96.4 | Very high | 146 Ų | 146 | 67.3 Ų | 67.3 | 64% | 0.635 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 52.6 | 167.2 | -56.8 | -179.7 | -179.1 | -178.2 | 0 | 113.4 | S178 D179 | S178-K203 CarbonylContact O-C 3.58Å; S178-K203 VanDerWaalsContact O-CA 3.24Å; S178-K203 WeakPolarHBondContact O-CA 3.48Å; S178-K203 PolarHBondContact O-N 2.83Å; S178-K203 VanDerWaalsContact O-N 3.13Å; D179-K203 PolarHBondContact OD1-N 3.43Å |
| 204 | T | 91.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | trans | -146 | 142.2 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | S178 P180 K201 M202 N206 P207 | S178-T204 PolarHBondContact O-N 2.83Å; P180-T204 WeakPolarHBondContact CD-O 3.29Å; P180-T204 HydrophobicContact CG-CG2 4.05Å; P180-T204 VanDerWaalsContact CG-O 3.3Å; P180-T204 WeakPolarHBondContact CG-O 3.3Å; K201-T204 HydrophobicContact CB-CG2 3.75Å; M202-T204 PolarHBondContact O-N 3.29Å; T204-N206 PolarHBondContact OG1-N 2.93Å; T204-N206 PolarHBondContact OG1-O 2.82Å; T204-P207 HydrophobicContact CG2-CB 3.87Å | ||
| 205 | L | 90.7 | Very high | 96.5 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -100 | 0.2 | 169.4 | -55.2 | -179.2 | 0 | 0 | 0 | 112.4 | K167 N168 L169 K171 L177 S178 P207 | K167-L205 CarbonylContact C-O 3.49Å; N168-L205 PolarHBondContact N-O 2.87Å; L169-L205 HydrophobicContact CB-CB 4.26Å; L169-L205 HydrophobicContact CB-CD2 4.3Å; L169-L205 WeakPolarHBondContact CG-O 3.11Å; L169-L205 PolarHBondContact N-O 2.95Å; L169-L205 WeakPolarHBondContact O-CD1 3.43Å; L169-L205 WeakPolarHBondContact O-CD2 3.47Å; K171-L205 HydrophobicContact CB-CD1 4.41Å; K171-L205 HydrophobicContact CB-CD2 4.36Å; L177-L205 HydrophobicContact CB-CD2 4.12Å; L177-L205 HydrophobicContact CB-CG 4.19Å; L177-L205 HydrophobicContact CD1-CG 4.48Å; L177-L205 HydrophobicContact CD2-CD1 4.08Å; L177-L205 HydrophobicContact CD2-CG 4.23Å; S178-L205 WeakPolarHBondContact OG-CD2 3.3Å; L205-P207 VanDerWaalsContact C-CD 3.48Å |
| 206 | N | 92 | Very high | 96.4 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -132.4 | 61.9 | 179.9 | -55.7 | -74.4 | 0 | 0 | 0 | 110.6 | A166 K167 N168 T204 | A166-N206 CarbonylContact O-C 3.57Å; A166-N206 VanDerWaalsContact O-C 3.3Å; A166-N206 WeakPolarHBondContact O-CA 3.32Å; K167-N206 WeakPolarHBondContact CA-OD1 3.49Å; K167-N206 WeakPolarHBondContact CB-OD1 3.49Å; N168-N206 PolarHBondContact N-OD1 3.49Å; T204-N206 PolarHBondContact OG1-N 2.93Å; T204-N206 PolarHBondContact OG1-O 2.82Å |
| 207 | P | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | trans | -71.2 | 137.9 | -176.2 | 30.5 | -37.7 | 0 | 0 | 0 | 112.5 | E165 A166 L169 P180 K201 T204 L205 Y209 | E165-P207 CarbonylContact C-O 3.6Å; E165-P207 WeakPolarHBondContact CA-O 3.49Å; E165-P207 WeakPolarHBondContact CB-O 3.25Å; A166-P207 HydrophobicContact CB-CG 3.81Å; A166-P207 PolarHBondContact N-O 3.27Å; A166-P207 WeakPolarHBondContact O-CD 3.2Å; L169-P207 HydrophobicContact CD1-CG 3.82Å; P180-P207 HydrophobicContact CB-CG 4.13Å; P180-P207 HydrophobicContact CG-CB 3.81Å; P180-P207 HydrophobicContact CG-CG 3.58Å; K201-P207 HydrophobicContact CB-CB 3.79Å; K201-P207 HydrophobicContact CG-CB 3.75Å; T204-P207 HydrophobicContact CG2-CB 3.87Å; L205-P207 VanDerWaalsContact C-CD 3.48Å; P207-Y209 HydrophobicContact CB-CD2 4.38Å; P207-Y209 HydrophobicContact CB-CE1 4.31Å; P207-Y209 HydrophobicContact CB-CE2 3.64Å; P207-Y209 HydrophobicContact CG-CD2 4.5Å; P207-Y209 HydrophobicContact CG-CE2 3.5Å; P207-Y209 WeakPolarHBondContact CG-OH 3.45Å | ||
| 208 | Y | 97.9 | Very high | 95.9 | Very high | 137 Ų | 137 | 58.8 Ų | 58.8 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.5 | 168 | -179.5 | -97.2 | 0 | 0 | 0 | 110.2 | E165 K201 N210 | E165-Y208 HydrophobicContact CB-CD2 4.15Å; K201-Y208 WeakPolarHBondContact CE-O 3.45Å; K201-Y208 PolarHBondContact NZ-O 2.87Å; Y208-N210 HydrophobicContact CE1-CB 3.79Å; Y208-N210 HydrophobicContact CE2-CB 4.32Å; Y208-N210 WeakPolarHBondContact OH-CB 3.38Å; Y208-N210 PolarHBondContact OH-ND2 3.09Å |
| 209 | Y | 98.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -61.1 | -176.7 | -60.7 | -80 | 0 | 0 | 0 | 111.6 | V163 M164 P180 Y181 V182 T198 S199 K201 P207 E211 | V163-Y209 HydrophobicContact CG1-CD2 3.7Å; V163-Y209 HydrophobicContact CG1-CE2 4.33Å; V163-Y209 HydrophobicContact CG1-CG 4.1Å; V163-Y209 WeakPolarHBondContact O-CB 3.46Å; M164-Y209 PolarHBondContact O-N 3Å; P180-Y209 WeakPolarHBondContact CB-OH 3.33Å; P180-Y209 PolarHBondContact O-OH 2.96Å; Y181-Y209 PolarHBondContact N-OH 3.11Å; V182-Y209 HydrophobicContact CG2-CD2 4.5Å; V182-Y209 HydrophobicContact CG2-CE2 3.86Å; T198-Y209 HydrophobicContact CG2-CD1 4.07Å; T198-Y209 HydrophobicContact CG2-CG 4.32Å; T198-Y209 WeakPolarHBondContact OG1-CE1 3.38Å; S199-Y209 WeakPolarHBondContact O-CE1 3.32Å; K201-Y209 HydrophobicContact CG-CD1 3.99Å; K201-Y209 HydrophobicContact CG-CE1 3.58Å; P207-Y209 HydrophobicContact CB-CD2 4.38Å; P207-Y209 HydrophobicContact CB-CE1 4.31Å; P207-Y209 HydrophobicContact CB-CE2 3.64Å; P207-Y209 HydrophobicContact CG-CD2 4.5Å; P207-Y209 HydrophobicContact CG-CE2 3.5Å; P207-Y209 WeakPolarHBondContact CG-OH 3.45Å; Y209-E211 VanDerWaalsContact C-N 3.27Å; Y209-E211 PolarHBondContact O-N 3.44Å |
| 210 | N | 97.8 | Very high | 95 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 43.9 | -169.1 | -162 | 30 | 0 | 0 | 0 | 113.6 | V163 M164 Y208 | V163-N210 VanDerWaalsContact O-CA 3.27Å; V163-N210 WeakPolarHBondContact O-CA 3.36Å; V163-N210 PolarHBondContact O-N 3.28Å; M164-N210 PolarHBondContact O-N 3.35Å; Y208-N210 HydrophobicContact CE1-CB 3.79Å; Y208-N210 HydrophobicContact CE2-CB 4.32Å; Y208-N210 WeakPolarHBondContact OH-CB 3.38Å; Y208-N210 PolarHBondContact OH-ND2 3.09Å |
| 211 | E | 98.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.6 | -177.5 | -68.2 | 178.3 | -127.6 | 0 | 0 | 111 | V162 V163 T198 S199 Y209 F213 | V162-E211 CarbonylContact C-O 3.57Å; V162-E211 WeakPolarHBondContact CA-O 3.37Å; V163-E211 PolarHBondContact N-O 3.05Å; V163-E211 PolarHBondContact O-N 3.21Å; T198-E211 WeakPolarHBondContact CA-OE2 3.08Å; T198-E211 HydrophobicContact CG2-CB 4.46Å; S199-E211 VanDerWaalsContact CB-OE1 3.25Å; S199-E211 WeakPolarHBondContact CB-OE1 3.49Å; S199-E211 PolarHBondContact N-OE1 2.84Å; S199-E211 PolarHBondContact N-OE2 3.04Å; S199-E211 PolarHBondContact OG-OE1 2.88Å; Y209-E211 VanDerWaalsContact C-N 3.27Å; Y209-E211 PolarHBondContact O-N 3.44Å; E211-F213 HydrophobicContact CB-CE2 3.76Å; E211-F213 HydrophobicContact CB-CZ 3.86Å |
| 212 | S | 98.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.3 | -173.2 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | N160 | N160-S212 PolarHBondContact ND2-OG 3.18Å; N160-S212 PolarHBondContact OD1-OG 3.45Å |
| 213 | F | 98.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.1 | -177.9 | -56.3 | -82 | 0 | 0 | 0 | 110.4 | N160 V161 V163 I184 K196 K197 T198 E211 F215 | N160-F213 CarbonylContact C-O 3.51Å; N160-F213 WeakPolarHBondContact CA-O 3.4Å; N160-F213 PolarHBondContact ND2-O 2.87Å; N160-F213 VanDerWaalsContact ND2-O 3.13Å; V161-F213 PolarHBondContact N-O 2.88Å; V161-F213 PolarHBondContact O-N 3.33Å; V163-F213 HydrophobicContact CG2-CD2 4.32Å; V163-F213 HydrophobicContact CG2-CE2 4.06Å; I184-F213 HydrophobicContact CD1-CB 4.13Å; I184-F213 HydrophobicContact CD1-CD2 3.28Å; I184-F213 HydrophobicContact CD1-CE2 3.83Å; I184-F213 HydrophobicContact CD1-CG 3.76Å; K196-F213 HydrophobicContact CB-CB 4.4Å; K196-F213 HydrophobicContact CB-CD1 3.55Å; K196-F213 HydrophobicContact CB-CE1 4.07Å; K196-F213 HydrophobicContact CB-CG 4.06Å; K196-F213 HydrophobicContact CD-CD1 4.23Å; K196-F213 HydrophobicContact CG-CB 4.24Å; K196-F213 HydrophobicContact CG-CD1 3.91Å; K196-F213 HydrophobicContact CG-CG 4.37Å; K197-F213 VanDerWaalsContact O-CE1 3.28Å; K197-F213 WeakPolarHBondContact O-CE1 3.38Å; K197-F213 WeakPolarHBondContact O-CZ 3.47Å; T198-F213 HydrophobicContact CG2-CE2 3.86Å; T198-F213 HydrophobicContact CG2-CZ 3.93Å; E211-F213 HydrophobicContact CB-CE2 3.76Å; E211-F213 HydrophobicContact CB-CZ 3.86Å; F213-F215 HydrophobicContact CB-CE2 4.23Å; F213-F215 HydrophobicContact CB-CZ 4.49Å |
| 214 | G | 97.2 | Very high | 95 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L159 | L159-G214 CarbonylContact O-C 3.59Å; L159-G214 WeakPolarHBondContact O-CA 3.22Å |
| 215 | F | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.2 | 172.7 | -57.7 | -84.3 | 0 | 0 | 0 | 109.2 | K158 L159 V161 I184 L186 E194 K196 F213 V217 L224 | K158-F215 WeakPolarHBondContact CA-O 3.5Å; L159-F215 HydrophobicContact CB-CB 4.36Å; L159-F215 PolarHBondContact N-O 3.22Å; L159-F215 PolarHBondContact O-N 3.09Å; V161-F215 HydrophobicContact CB-CE2 4.38Å; V161-F215 HydrophobicContact CG2-CD2 4.12Å; V161-F215 HydrophobicContact CG2-CE2 3.81Å; I184-F215 HydrophobicContact CB-CZ 4.33Å; I184-F215 HydrophobicContact CG2-CE2 3.9Å; I184-F215 HydrophobicContact CG2-CZ 3.57Å; L186-F215 HydrophobicContact CB-CD1 3.99Å; L186-F215 HydrophobicContact CB-CE1 4.09Å; L186-F215 HydrophobicContact CD2-CB 4.17Å; L186-F215 HydrophobicContact CD2-CD1 3.98Å; L186-F215 HydrophobicContact CD2-CG 4.33Å; L186-F215 HydrophobicContact CG-CD1 4.49Å; E194-F215 HydrophobicContact CB-CD1 4.25Å; E194-F215 HydrophobicContact CB-CE1 4.2Å; E194-F215 HydrophobicContact CG-CD1 4.37Å; E194-F215 HydrophobicContact CG-CE1 4.18Å; E194-F215 WeakPolarHBondContact OE2-CD1 3.49Å; K196-F215 HydrophobicContact CB-CZ 4.39Å; K196-F215 HydrophobicContact CG-CE1 3.84Å; K196-F215 HydrophobicContact CG-CZ 3.74Å; F213-F215 HydrophobicContact CB-CE2 4.23Å; F213-F215 HydrophobicContact CB-CZ 4.49Å; F215-V217 HydrophobicContact CB-CG1 4.22Å; F215-L224 HydrophobicContact CE2-CD2 4.4Å |
| 216 | E | 95.7 | Very high | 95.6 | Very high | 170 Ų | 170 | 53.6 Ų | 53.6 | 79% | 0.794 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 98.9 | 174.1 | -66.6 | -175.9 | -178.6 | 0 | 0 | 109 | N157 | N157-E216 CarbonylContact O-C 3.51Å; N157-E216 VanDerWaalsContact O-CA 3.3Å; N157-E216 WeakPolarHBondContact O-CA 3.39Å |
| 217 | V | 93.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | trans | -159.7 | 150.2 | -168.9 | 72 | 0 | 0 | 0 | 0 | 112.1 | Y152 N157 L159 L186 F215 V222 | Y152-V217 WeakPolarHBondContact CE2-O 3.22Å; N157-V217 CarbonylContact C-O 3.41Å; N157-V217 PolarHBondContact O-N 2.78Å; N157-V217 VanDerWaalsContact O-O 3.06Å; L159-V217 HydrophobicContact CB-CG1 3.96Å; L159-V217 HydrophobicContact CD2-CG1 4.27Å; L186-V217 HydrophobicContact CD1-CG1 4.31Å; L186-V217 HydrophobicContact CD2-CB 4.16Å; L186-V217 HydrophobicContact CD2-CG1 4.38Å; L186-V217 HydrophobicContact CD2-CG2 4.14Å; F215-V217 HydrophobicContact CB-CG1 4.22Å; V217-V222 HydrophobicContact CG1-CG2 4.2Å; V217-V222 HydrophobicContact CG2-CB 4.12Å; V217-V222 HydrophobicContact CG2-CG1 3.47Å; V217-V222 VanDerWaalsContact CG2-CG1 3.47Å; V217-V222 HydrophobicContact CG2-CG2 3.71Å | ||
| 218 | S | 92 | Very high | 95.9 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | trans | -87.4 | 130.1 | 162.7 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | E220 V222 | S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 3.01Å; S218-V222 WeakPolarHBondContact O-CG2 3.18Å | ||
| 219 | P | 90.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.1 | -169.3 | 29.7 | -36.4 | 0 | 0 | 0 | 114.4 | Y152 K221 W257 I261 | Y152-P219 HydrophobicContact CD1-CG 4.21Å; Y152-P219 HydrophobicContact CD2-CG 4.49Å; Y152-P219 HydrophobicContact CE1-CG 3.88Å; Y152-P219 HydrophobicContact CE2-CG 4.2Å; Y152-P219 VanDerWaalsContact OH-CD 3.29Å; Y152-P219 WeakPolarHBondContact OH-CD 3.43Å; P219-K221 VanDerWaalsContact C-N 3.32Å; P219-K221 PolarHBondContact O-N 2.8Å; P219-W257 HydrophobicContact CB-CZ2 3.77Å; P219-W257 WeakPolarHBondContact O-CZ2 3.35Å; P219-I261 HydrophobicContact CB-CD1 3.63Å; P219-I261 HydrophobicContact CG-CD1 3.35Å |
| 220 | E | 89 | Confident | 95.7 | Very high | 149 Ų | 149 | 43 Ų | 43 | 70% | 0.696 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.8 | -170 | -66 | 174.4 | -173.1 | 0 | 0 | 114 | S218 | S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 3.01Å |
| 221 | K | 88.4 | Confident | 95.5 | Very high | 158 Ų | 158 | 42.3 Ų | 42.3 | 69% | 0.687 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -116.4 | -2 | -173.7 | -60.7 | -174.7 | -178.4 | 178.9 | 0 | 113.8 | L188 P219 | L188-K221 HydrophobicContact CD1-CB 3.56Å; L188-K221 VanDerWaalsContact CD1-O 3.3Å; L188-K221 WeakPolarHBondContact CD1-O 3.3Å; P219-K221 VanDerWaalsContact C-N 3.32Å; P219-K221 PolarHBondContact O-N 2.8Å |
| 222 | V | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 157.3 | -175.3 | -60 | 0 | 0 | 0 | 0 | 112.1 | L186 M187 L188 L193 V217 S218 P247 W257 | L186-V222 HydrophobicContact CD1-CB 3.94Å; L186-V222 HydrophobicContact CD1-CG1 4.49Å; L186-V222 HydrophobicContact CD1-CG2 3.99Å; M187-V222 CarbonylContact O-C 3.55Å; M187-V222 WeakPolarHBondContact O-CA 3.47Å; M187-V222 VanDerWaalsContact O-CB 3.28Å; M187-V222 WeakPolarHBondContact O-CB 3.02Å; L188-V222 HydrophobicContact CB-CG1 4.43Å; L188-V222 HydrophobicContact CD1-CG1 4.35Å; L193-V222 HydrophobicContact CD1-CG1 4.23Å; V217-V222 HydrophobicContact CG1-CG2 4.2Å; V217-V222 HydrophobicContact CG2-CB 4.12Å; V217-V222 HydrophobicContact CG2-CG1 3.47Å; V217-V222 VanDerWaalsContact CG2-CG1 3.47Å; V217-V222 HydrophobicContact CG2-CG2 3.71Å; S218-V222 WeakPolarHBondContact O-CG2 3.18Å; V222-P247 WeakPolarHBondContact O-CD 3.49Å; V222-W257 HydrophobicContact CG2-CH2 4.34Å; V222-W257 HydrophobicContact CG2-CZ2 4.32Å; V222-W257 WeakPolarHBondContact O-CZ2 3.27Å |
| 223 | H | 97 | Very high | 94.2 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158.5 | 169.6 | 62.5 | -89.6 | 0 | 0 | 0 | 109.9 | M187 G189 I245 | M187-H223 WeakPolarHBondContact CB-CE1 3.23Å; M187-H223 WeakPolarHBondContact CB-NE2 3.12Å; M187-H223 PolarHBondContact N-O 2.71Å; M187-H223 PolarHBondContact O-N 2.85Å; G189-H223 PolarHBondContact O-CE1 3.01Å; H223-I245 CarbonylContact C-O 3.48Å; H223-I245 WeakPolarHBondContact CA-O 3.43Å; H223-I245 WeakPolarHBondContact CB-O 3.11Å |
| 224 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132 | 174.4 | -62.7 | 173.6 | 0 | 0 | 0 | 109.3 | L150 L159 V161 I184 Y185 L186 F215 I226 V244 I245 W257 | L150-L224 HydrophobicContact CD2-CD1 3.94Å; L159-L224 HydrophobicContact CD2-CD1 4.24Å; L159-L224 HydrophobicContact CD2-CD2 4.23Å; L159-L224 HydrophobicContact CD2-CG 4.39Å; V161-L224 HydrophobicContact CG2-CD1 3.57Å; V161-L224 HydrophobicContact CG2-CD2 4.4Å; I184-L224 HydrophobicContact CG2-CD2 4.2Å; Y185-L224 CarbonylContact O-C 3.56Å; Y185-L224 WeakPolarHBondContact O-CA 3.32Å; L186-L224 HydrophobicContact CD1-CD2 3.96Å; F215-L224 HydrophobicContact CE2-CD2 4.4Å; L224-I226 HydrophobicContact CB-CD1 4.41Å; L224-I226 HydrophobicContact CB-CG1 4.43Å; L224-V244 CarbonylContact O-C 3.57Å; L224-V244 WeakPolarHBondContact O-CA 3.46Å; L224-I245 PolarHBondContact N-O 2.84Å; L224-I245 PolarHBondContact O-N 3.42Å; L224-W257 HydrophobicContact CD1-CZ3 3.93Å; L224-W257 HydrophobicContact CG-CH2 4.44Å; L224-W257 HydrophobicContact CG-CZ3 3.98Å |
| 225 | V | 97.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 111.6 | 165 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | Y185 M187 R242 V244 | Y185-V225 HydrophobicContact CD2-CB 4.32Å; Y185-V225 HydrophobicContact CD2-CG1 4.34Å; Y185-V225 WeakPolarHBondContact CD2-O 3.42Å; Y185-V225 PolarHBondContact N-O 2.84Å; Y185-V225 PolarHBondContact O-N 2.83Å; M187-V225 HydrophobicContact CG-CB 4.43Å; M187-V225 HydrophobicContact CG-CG2 3.67Å; V225-R242 HydrophobicContact CG1-CG 3.79Å; V225-V244 HydrophobicContact CG2-CG1 4.42Å; V225-V244 HydrophobicContact CG2-CG2 4.22Å |
| 226 | I | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.9 | -179.3 | -50.2 | -79.1 | 0 | 0 | 0 | 107 | L148 V161 V182 K183 I184 L224 R242 I243 | L148-I226 HydrophobicContact CD1-CB 4.47Å; L148-I226 HydrophobicContact CD1-CD1 4.12Å; L148-I226 HydrophobicContact CD1-CG1 3.79Å; L148-I226 HydrophobicContact CD1-CG2 4.32Å; V161-I226 HydrophobicContact CG1-CD1 4.42Å; V182-I226 HydrophobicContact CG1-CG2 3.41Å; V182-I226 VanDerWaalsContact CG1-CG2 3.41Å; K183-I226 WeakPolarHBondContact O-CA 3.19Å; I184-I226 HydrophobicContact CB-CD1 4.04Å; I184-I226 HydrophobicContact CG1-CD1 3.76Å; I184-I226 HydrophobicContact CG2-CD1 3.63Å; L224-I226 HydrophobicContact CB-CD1 4.41Å; L224-I226 HydrophobicContact CB-CG1 4.43Å; I226-R242 CarbonylContact O-C 3.51Å; I226-R242 WeakPolarHBondContact O-CA 3.34Å; I226-I243 HydrophobicContact CB-CD1 4.11Å; I226-I243 HydrophobicContact CB-CG1 3.61Å; I226-I243 HydrophobicContact CG1-CD1 4.31Å; I226-I243 HydrophobicContact CG1-CG1 4.12Å; I226-I243 HydrophobicContact CG2-CG1 4.33Å; I226-I243 PolarHBondContact N-O 3.38Å; I226-I243 PolarHBondContact O-N 3.32Å |
| 227 | T | 97.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.6 | 180 | -47.7 | 0 | 0 | 0 | 0 | 109.3 | V182 K183 M229 P239 G241 L277 | V182-T227 WeakPolarHBondContact CA-O 3.37Å; K183-T227 PolarHBondContact N-O 3.03Å; K183-T227 PolarHBondContact O-N 2.91Å; T227-M229 HydrophobicContact CG2-CG 4.38Å; T227-M229 HydrophobicContact CG2-SD 3.58Å; T227-M229 VanDerWaalsContact CG2-SD 3.58Å; T227-P239 HydrophobicContact CG2-CB 4.26Å; T227-G241 WeakPolarHBondContact CA-O 3.08Å; T227-L277 HydrophobicContact CG2-CD1 4.44Å |
| 228 | V | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.1 | 169 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | V146 L169 P180 V182 I240 G241 L274 | V146-V228 HydrophobicContact CB-CG2 4.42Å; L169-V228 HydrophobicContact CD1-CG1 3.99Å; L169-V228 HydrophobicContact CD2-CG1 4.01Å; P180-V228 HydrophobicContact CB-CG1 4.36Å; V182-V228 HydrophobicContact CG2-CG2 4.16Å; V228-I240 HydrophobicContact CB-CB 4.4Å; V228-I240 HydrophobicContact CG1-CB 4.31Å; V228-I240 HydrophobicContact CG1-CD1 4.04Å; V228-I240 WeakPolarHBondContact O-CB 3.33Å; V228-I240 PolarHBondContact O-N 3.28Å; V228-G241 PolarHBondContact N-O 3.33Å; V228-G241 PolarHBondContact O-N 3.38Å; V228-L274 HydrophobicContact CB-CD1 3.94Å; V228-L274 HydrophobicContact CB-CD2 4.43Å; V228-L274 HydrophobicContact CG2-CD1 3.73Å; V228-L274 HydrophobicContact CG2-CD2 3.67Å; V228-L274 HydrophobicContact CG2-CG 4.36Å |
| 229 | M | 96.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.1 | -176.1 | -57 | -72.9 | -39.5 | 0 | 0 | 108.3 | P180 Y181 K183 T227 N237 D238 P239 | P180-M229 CarbonylContact C-O 3.53Å; P180-M229 VanDerWaalsContact CA-O 3.23Å; P180-M229 WeakPolarHBondContact CA-O 3.38Å; Y181-M229 HydrophobicContact CD1-CB 3.77Å; Y181-M229 HydrophobicContact CD2-CB 4.39Å; Y181-M229 HydrophobicContact CE1-CB 3.29Å; Y181-M229 HydrophobicContact CE1-CG 4.14Å; Y181-M229 HydrophobicContact CE2-CB 4Å; Y181-M229 HydrophobicContact CE2-CG 3.97Å; Y181-M229 HydrophobicContact CG-CB 4.29Å; Y181-M229 VanDerWaalsContact CZ-CB 3.4Å; Y181-M229 PolarHBondContact N-O 2.88Å; Y181-M229 PolarHBondContact O-N 2.88Å; K183-M229 HydrophobicContact CD-CG 3.78Å; K183-M229 HydrophobicContact CD-SD 3.98Å; K183-M229 HydrophobicContact CG-CG 3.96Å; K183-M229 PolarHBondContact NZ-SD 3.3Å; K183-M229 VanDerWaalsContact NZ-SD 3.44Å; T227-M229 HydrophobicContact CG2-CG 4.38Å; T227-M229 HydrophobicContact CG2-SD 3.58Å; T227-M229 VanDerWaalsContact CG2-SD 3.58Å; M229-N237 HydrophobicContact CE-CB 4.11Å; M229-N237 WeakPolarHBondContact CE-O 3.36Å; M229-D238 CarbonylContact C-O 3.57Å; M229-D238 WeakPolarHBondContact CA-O 3.43Å; M229-P239 HydrophobicContact CE-CB 4.04Å; M229-P239 HydrophobicContact SD-CB 4.02Å |
| 230 | D | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -85 | 145 | 159.3 | -164.3 | 18.1 | 0 | 0 | 0 | 110 | M172 S178 D179 N237 D238 I240 | M172-D230 HydrophobicContact CB-CB 3.83Å; M172-D230 WeakPolarHBondContact CB-OD2 3.27Å; M172-D230 HydrophobicContact CG-CB 4.13Å; S178-D230 WeakPolarHBondContact CA-OD1 3.37Å; S178-D230 WeakPolarHBondContact CB-OD1 3.34Å; D179-D230 WeakPolarHBondContact CA-OD1 3.41Å; D179-D230 PolarHBondContact N-OD1 2.98Å; D230-N237 WeakPolarHBondContact O-CA 3.44Å; D230-N237 VanDerWaalsContact O-CB 3.24Å; D230-N237 WeakPolarHBondContact O-CB 3.43Å; D230-D238 PolarHBondContact N-O 2.93Å; D230-I240 HydrophobicContact CB-CD1 4.17Å; D230-I240 HydrophobicContact CB-CG1 4.23Å | ||
| 231 | Y | 93.7 | Very high | 91.2 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | trans | -102.4 | 112.5 | 175.6 | 173.1 | -97.3 | 0 | 0 | 0 | 110.3 | D179 I200 M202 R233 N237 | D179-Y231 WeakPolarHBondContact O-CB 3.49Å; D179-Y231 PolarHBondContact O-N 2.84Å; D179-Y231 VanDerWaalsContact O-N 3.11Å; I200-Y231 HydrophobicContact CD1-CD1 4.19Å; I200-Y231 HydrophobicContact CD1-CD2 3.6Å; I200-Y231 HydrophobicContact CD1-CE2 4.02Å; I200-Y231 HydrophobicContact CD1-CG 3.69Å; I200-Y231 HydrophobicContact CG1-CG 4.37Å; I200-Y231 HydrophobicContact CG2-CD1 4.29Å; I200-Y231 HydrophobicContact CG2-CG 4.19Å; M202-Y231 HydrophobicContact CE-CD1 4.48Å; Y231-R233 HydrophobicContact CE1-CG 3.96Å; Y231-N237 WeakPolarHBondContact CA-OD1 3.25Å; Y231-N237 WeakPolarHBondContact CD2-OD1 3.4Å | ||
| 232 | D | 87.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | trans | -96.4 | 124.2 | 177.1 | -64.9 | -76.4 | 0 | 0 | 0 | 109.7 | V234 N237 D238 | D232-V234 PolarHBondContact O-N 2.85Å; D232-N237 PolarHBondContact N-OD1 3.03Å; D232-N237 WeakPolarHBondContact OD2-CA 3.47Å; D232-D238 PolarHBondContact OD2-N 2.94Å | ||
| 233 | R | 81 | Confident | 91.4 | Very high | 192 Ų | 192 | 42.4 Ų | 42.4 | 73% | 0.725 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -62.9 | -30.2 | 175.2 | -69.2 | -177.2 | -177.2 | -162 | -2.4 | 112.4 | Y231 | Y231-R233 HydrophobicContact CE1-CG 3.96Š|
| 234 | V | 77.2 | Confident | 91.3 | Very high | 138 Ų | 138 | 43.2 Ų | 43.2 | 84% | 0.836 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -132.6 | 119.5 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | D232 | D232-V234 PolarHBondContact O-N 2.85Š|
| 235 | G | 75.5 | Confident | 91.2 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 108 | -165.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 236 | S | 82.1 | Confident | 91.1 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -88.7 | 131.2 | 175.9 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | D238 | S236-D238 PolarHBondContact O-N 2.87Š|
| 237 | N | 88.6 | Confident | 90.9 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 121.8 | 171.3 | -64.4 | -38.2 | 0 | 0 | 0 | 111.9 | Y181 M229 D230 Y231 D232 | Y181-N237 HydrophobicContact CE1-CB 4.43Å; Y181-N237 PolarHBondContact OH-ND2 2.82Å; M229-N237 HydrophobicContact CE-CB 4.11Å; M229-N237 WeakPolarHBondContact CE-O 3.36Å; D230-N237 WeakPolarHBondContact O-CA 3.44Å; D230-N237 VanDerWaalsContact O-CB 3.24Å; D230-N237 WeakPolarHBondContact O-CB 3.43Å; Y231-N237 WeakPolarHBondContact CA-OD1 3.25Å; Y231-N237 WeakPolarHBondContact CD2-OD1 3.4Å; D232-N237 PolarHBondContact N-OD1 3.03Å; D232-N237 WeakPolarHBondContact OD2-CA 3.47Å |
| 238 | D | 88.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 135 | -176.9 | -73.6 | -32.5 | 0 | 0 | 0 | 113.6 | M172 M229 D230 D232 S236 I240 | M172-D238 HydrophobicContact CE-CB 3.64Å; M229-D238 CarbonylContact C-O 3.57Å; M229-D238 WeakPolarHBondContact CA-O 3.43Å; D230-D238 PolarHBondContact N-O 2.93Å; D232-D238 PolarHBondContact OD2-N 2.94Å; S236-D238 PolarHBondContact O-N 2.87Å; D238-I240 PolarHBondContact O-N 2.78Å |
| 239 | P | 93.3 | Very high | 90 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 34% | 0.338 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 121.7 | 175.3 | 31 | -32.6 | 0 | 0 | 0 | 110.5 | T227 M229 L277 | T227-P239 HydrophobicContact CG2-CB 4.26Å; M229-P239 HydrophobicContact CE-CB 4.04Å; M229-P239 HydrophobicContact SD-CB 4.02Å; P239-L277 HydrophobicContact CB-CD1 3.66Å; P239-L277 HydrophobicContact CB-CD2 3.53Å; P239-L277 HydrophobicContact CB-CG 4.24Å; P239-L277 HydrophobicContact CG-CD1 4.23Å; P239-L277 HydrophobicContact CG-CD2 3.7Å |
| 240 | I | 92.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -48.6 | 173.8 | -67.9 | 166.3 | 0 | 0 | 0 | 109.7 | L143 L169 K170 M172 P180 V228 D230 D238 L274 | L143-I240 HydrophobicContact CB-CG2 4.36Å; L143-I240 WeakPolarHBondContact CB-O 3.43Å; L143-I240 WeakPolarHBondContact CD1-O 3.23Å; L143-I240 WeakPolarHBondContact CD2-O 3.45Å; L143-I240 WeakPolarHBondContact O-CG2 3.47Å; L169-I240 HydrophobicContact CD1-CD1 4.35Å; L169-I240 HydrophobicContact CD2-CG2 4.42Å; K170-I240 HydrophobicContact CB-CG2 4.22Å; M172-I240 HydrophobicContact CG-CD1 4.33Å; M172-I240 HydrophobicContact CG-CG1 3.53Å; M172-I240 HydrophobicContact SD-CG1 4.46Å; P180-I240 HydrophobicContact CB-CD1 4.37Å; V228-I240 HydrophobicContact CB-CB 4.4Å; V228-I240 HydrophobicContact CG1-CB 4.31Å; V228-I240 HydrophobicContact CG1-CD1 4.04Å; V228-I240 WeakPolarHBondContact O-CB 3.33Å; V228-I240 PolarHBondContact O-N 3.28Å; D230-I240 HydrophobicContact CB-CD1 4.17Å; D230-I240 HydrophobicContact CB-CG1 4.23Å; D238-I240 PolarHBondContact O-N 2.78Å; I240-L274 HydrophobicContact CG2-CD1 4.29Å |
| 241 | G | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 168.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T227 V228 E275 | T227-G241 WeakPolarHBondContact CA-O 3.08Å; V228-G241 PolarHBondContact N-O 3.33Å; V228-G241 PolarHBondContact O-N 3.38Å; G241-E275 CarbonylContact C-O 3.57Å; G241-E275 WeakPolarHBondContact CA-O 3.49Å |
| 242 | R | 95.1 | Very high | 88.1 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.1 | -168.9 | -172.4 | 177.5 | 76.6 | -147 | 11.2 | 111.5 | V225 I226 E275 L277 K278 | V225-R242 HydrophobicContact CG1-CG 3.79Å; I226-R242 CarbonylContact O-C 3.51Å; I226-R242 WeakPolarHBondContact O-CA 3.34Å; R242-E275 PolarHBondContact N-O 3.29Å; R242-E275 PolarHBondContact O-N 3.09Å; R242-L277 HydrophobicContact CB-CD1 3.89Å; R242-L277 HydrophobicContact CB-CG 4.12Å; R242-L277 VanDerWaalsContact NH1-CA 3.31Å; R242-K278 PolarHBondContact NH1-O 3.34Å; R242-K278 PolarHBondContact NH2-O 3.27Å |
| 243 | I | 93.9 | Very high | 88.1 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.6 | 164.7 | 61.3 | 173.7 | 0 | 0 | 0 | 109.9 | V146 L148 I226 I245 H272 Q273 L274 | V146-I243 HydrophobicContact CG1-CD1 3.72Å; L148-I243 HydrophobicContact CD1-CD1 3.73Å; I226-I243 HydrophobicContact CB-CD1 4.11Å; I226-I243 HydrophobicContact CB-CG1 3.61Å; I226-I243 HydrophobicContact CG1-CD1 4.31Å; I226-I243 HydrophobicContact CG1-CG1 4.12Å; I226-I243 HydrophobicContact CG2-CG1 4.33Å; I226-I243 PolarHBondContact N-O 3.38Å; I226-I243 PolarHBondContact O-N 3.32Å; I243-I245 HydrophobicContact CD1-CD1 3.79Å; I243-I245 HydrophobicContact CD1-CG1 4.16Å; I243-I245 HydrophobicContact CG1-CG1 4.46Å; I243-H272 HydrophobicContact CD1-CB 3.5Å; I243-H272 VanDerWaalsContact CD1-CB 3.5Å; I243-H272 HydrophobicContact CG2-CB 4.05Å; I243-Q273 VanDerWaalsContact CG2-O 3.24Å; I243-Q273 WeakPolarHBondContact CG2-O 3.36Å; I243-L274 HydrophobicContact CG2-CD2 4.15Å |
| 244 | V | 95.6 | Very high | 88.5 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.8 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | L224 V225 S249 A253 | L224-V244 CarbonylContact O-C 3.57Å; L224-V244 WeakPolarHBondContact O-CA 3.46Å; V225-V244 HydrophobicContact CG2-CG1 4.42Å; V225-V244 HydrophobicContact CG2-CG2 4.22Å; V244-S249 PolarHBondContact O-OG 3.49Å; V244-A253 WeakPolarHBondContact O-CB 3.43Å |
| 245 | I | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.1 | -177.9 | -51.1 | 178.5 | 0 | 0 | 0 | 109.2 | L148 L150 H223 L224 I243 S249 A253 W257 | L148-I245 HydrophobicContact CD1-CD1 3.66Å; L150-I245 HydrophobicContact CD1-CG2 4.12Å; H223-I245 CarbonylContact C-O 3.48Å; H223-I245 WeakPolarHBondContact CA-O 3.43Å; H223-I245 WeakPolarHBondContact CB-O 3.11Å; L224-I245 PolarHBondContact N-O 2.84Å; L224-I245 PolarHBondContact O-N 3.42Å; I243-I245 HydrophobicContact CD1-CD1 3.79Å; I243-I245 HydrophobicContact CD1-CG1 4.16Å; I243-I245 HydrophobicContact CG1-CG1 4.46Å; I245-S249 WeakPolarHBondContact CA-OG 3.41Å; I245-A253 HydrophobicContact CG1-CB 4.14Å; I245-A253 WeakPolarHBondContact CG2-O 3.37Å; I245-W257 HydrophobicContact CG2-CB 4.14Å; I245-W257 HydrophobicContact CG2-CD2 4.49Å; I245-W257 HydrophobicContact CG2-CE3 3.73Å |
| 246 | G | 95.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -176.6 | -175 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N248 S249 | G246-N248 PolarHBondContact O-N 2.85Å; G246-S249 PolarHBondContact N-OG 3.41Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.86Å; G246-S249 VanDerWaalsContact O-N 3.16Å; G246-S249 PolarHBondContact O-OG 2.7Å |
| 247 | P | 92.9 | Very high | 90.7 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.4 | -177.6 | 26.2 | -33.5 | 0 | 0 | 0 | 113.4 | V222 L254 | V222-P247 WeakPolarHBondContact O-CD 3.49Å; P247-L254 WeakPolarHBondContact O-CD1 3.32Å |
| 248 | N | 88.5 | Confident | 91 | Very high | 155 Ų | 155 | 44.8 Ų | 44.8 | 83% | 0.829 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.2 | 179.7 | -60.5 | -27.8 | 0 | 0 | 0 | 113.4 | G246 | G246-N248 PolarHBondContact O-N 2.85Š|
| 249 | S | 87.4 | Confident | 91.3 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | trans | -72.5 | 175.8 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | V244 I245 G246 L254 | V244-S249 PolarHBondContact O-OG 3.49Å; I245-S249 WeakPolarHBondContact CA-OG 3.41Å; G246-S249 PolarHBondContact N-OG 3.41Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.86Å; G246-S249 VanDerWaalsContact O-N 3.16Å; G246-S249 PolarHBondContact O-OG 2.7Å; S249-L254 WeakPolarHBondContact O-CB 3.43Å | ||
| 250 | T | 81.2 | Confident | 91.5 | Very high | 120 Ų | 120 | 42.1 Ų | 42.1 | 74% | 0.736 | 25% | 0.245 | S | C | * | . | trans | -124.2 | 163.9 | 173.1 | 68 | 0 | 0 | 0 | 0 | 111.7 | A252 A253 | T250-A252 PolarHBondContact O-N 2.83Å; T250-A253 PolarHBondContact O-N 2.88Å | ||
| 251 | G | 84 | Confident | 91.6 | Very high | 58 Ų | 58 | 45 Ų | 45 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | 60.2 | -134.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A253 L254 R255 | G251-A253 VanDerWaalsContact C-N 3.27Å; G251-A253 PolarHBondContact O-N 2.86Å; G251-L254 PolarHBondContact O-N 3.47Å; G251-R255 PolarHBondContact O-N 2.88Å |
| 252 | A | 81 | Confident | 91.7 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -33.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T250 H256 | T250-A252 PolarHBondContact O-N 2.83Å; A252-H256 VanDerWaalsContact O-CB 3.3Å; A252-H256 WeakPolarHBondContact O-CB 3.37Å; A252-H256 PolarHBondContact O-N 2.79Å |
| 253 | A | 86.8 | Confident | 91.6 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V244 I245 T250 G251 H256 W257 | V244-A253 WeakPolarHBondContact O-CB 3.43Å; I245-A253 HydrophobicContact CG1-CB 4.14Å; I245-A253 WeakPolarHBondContact CG2-O 3.37Å; T250-A253 PolarHBondContact O-N 2.88Å; G251-A253 VanDerWaalsContact C-N 3.27Å; G251-A253 PolarHBondContact O-N 2.86Å; A253-H256 PolarHBondContact O-N 2.99Å; A253-W257 PolarHBondContact O-N 2.96Å |
| 254 | L | 90.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.9 | -179.8 | 60.3 | 0 | 0 | 0 | 111.7 | P247 S249 G251 H256 W257 T258 | P247-L254 WeakPolarHBondContact O-CD1 3.32Å; S249-L254 WeakPolarHBondContact O-CB 3.43Å; G251-L254 PolarHBondContact O-N 3.47Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 3.05Å; L254-W257 PolarHBondContact O-N 3.32Å; L254-T258 WeakPolarHBondContact O-CB 3.43Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.81Å |
| 255 | R | 90.4 | Very high | 91.4 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 176.6 | -176.2 | 178.2 | 67.1 | -169.9 | 1.5 | 110.6 | G251 W257 T258 D259 | G251-R255 PolarHBondContact O-N 2.88Å; R255-W257 VanDerWaalsContact C-N 3.34Å; R255-W257 PolarHBondContact O-N 2.86Å; R255-T258 PolarHBondContact O-N 3.28Å; R255-D259 WeakPolarHBondContact O-CB 3.38Å; R255-D259 PolarHBondContact O-N 3.46Å |
| 256 | H | 94.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 180 | -167.7 | -159.5 | 0 | 0 | 0 | 113 | L148 L150 A252 A253 L254 M260 T268 Q270 H272 | L148-H256 PolarHBondContact O-CE1 2.94Å; L150-H256 VanDerWaalsContact CG-CE1 3.45Å; L150-H256 WeakPolarHBondContact CG-CE1 3.49Å; A252-H256 VanDerWaalsContact O-CB 3.3Å; A252-H256 WeakPolarHBondContact O-CB 3.37Å; A252-H256 PolarHBondContact O-N 2.79Å; A253-H256 PolarHBondContact O-N 2.99Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 3.05Å; H256-M260 PolarHBondContact O-N 2.86Å; H256-M260 VanDerWaalsContact O-N 3.12Å; H256-T268 PolarHBondContact CD2-OG1 2.87Å; H256-T268 VanDerWaalsContact CD2-OG1 3.32Å; H256-T268 PolarHBondContact NE2-O 3.02Å; H256-T268 PolarHBondContact NE2-OG1 3.03Å; H256-Q270 HydrophobicContact CB-CB 4.14Å; H256-Q270 HydrophobicContact CB-CG 4.17Å; H256-H272 AromaticContact CE1-NE2 3.82Å; H256-H272 AromaticContact CG-NE2 3.77Å; H256-H272 AromaticContact ND1-CE1 3.65Å; H256-H272 AromaticContact ND1-NE2 3.01Å; H256-H272 PolarHBondContact ND1-NE2 2.87Å |
| 257 | W | 95.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 70.2 Ų | 70.2 | 3% | 0.034 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.5 | -165.1 | -100.6 | 0 | 0 | 0 | 111.5 | L150 L159 P219 V222 L224 I245 A253 L254 R255 M260 I261 | L150-W257 HydrophobicContact CD1-CE3 4.29Å; L159-W257 HydrophobicContact CD2-CH2 3.98Å; L159-W257 HydrophobicContact CD2-CZ3 4.25Å; P219-W257 HydrophobicContact CB-CZ2 3.77Å; P219-W257 WeakPolarHBondContact O-CZ2 3.35Å; V222-W257 HydrophobicContact CG2-CH2 4.34Å; V222-W257 HydrophobicContact CG2-CZ2 4.32Å; V222-W257 WeakPolarHBondContact O-CZ2 3.27Å; L224-W257 HydrophobicContact CD1-CZ3 3.93Å; L224-W257 HydrophobicContact CG-CH2 4.44Å; L224-W257 HydrophobicContact CG-CZ3 3.98Å; I245-W257 HydrophobicContact CG2-CB 4.14Å; I245-W257 HydrophobicContact CG2-CD2 4.49Å; I245-W257 HydrophobicContact CG2-CE3 3.73Å; A253-W257 PolarHBondContact O-N 2.96Å; L254-W257 PolarHBondContact O-N 3.32Å; R255-W257 VanDerWaalsContact C-N 3.34Å; R255-W257 PolarHBondContact O-N 2.86Å; W257-M260 HydrophobicContact CD2-CE 3.88Å; W257-M260 HydrophobicContact CE3-CE 3.9Å; W257-M260 HydrophobicContact CG-CE 4.49Å; W257-M260 HydrophobicContact CH2-CE 4.31Å; W257-M260 HydrophobicContact CZ2-CE 4.26Å; W257-M260 HydrophobicContact CZ3-CE 4.12Å; W257-M260 WeakPolarHBondContact O-CB 3.24Å; W257-M260 PolarHBondContact O-N 3.24Å; W257-I261 WeakPolarHBondContact O-CG1 3.09Å; W257-I261 PolarHBondContact O-N 2.93Å; W257-I261 VanDerWaalsContact O-N 3.15Å |
| 258 | T | 94.9 | Very high | 91.5 | Very high | 57 Ų | 57 | 69 Ų | 69 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | L254 R255 M260 I261 N262 | L254-T258 WeakPolarHBondContact O-CB 3.43Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.81Å; R255-T258 PolarHBondContact O-N 3.28Å; T258-M260 VanDerWaalsContact C-N 3.31Å; T258-M260 PolarHBondContact O-N 2.66Å; T258-I261 PolarHBondContact O-N 2.94Å; T258-N262 WeakPolarHBondContact CG2-ND2 3.12Å; T258-N262 WeakPolarHBondContact O-CB 3.28Å; T258-N262 PolarHBondContact O-N 3.07Å; T258-N262 PolarHBondContact O-ND2 2.67Å |
| 259 | D | 94.5 | Very high | 91.9 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.9 | -66.5 | -19.7 | 0 | 0 | 0 | 111.3 | R255 N262 S263 T268 | R255-D259 WeakPolarHBondContact O-CB 3.38Å; R255-D259 PolarHBondContact O-N 3.46Å; D259-N262 PolarHBondContact O-N 2.99Å; D259-S263 WeakPolarHBondContact O-CB 3.21Å; D259-S263 PolarHBondContact O-N 2.81Å; D259-S263 PolarHBondContact O-OG 3.06Å; D259-T268 HydrophobicContact CB-CG2 4.04Å |
| 260 | M | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.5 | 176.1 | -162.1 | 67.1 | 0 | 0 | 111.9 | L150 L159 H256 W257 T258 S263 | L150-M260 HydrophobicContact CB-CB 4.1Å; L150-M260 HydrophobicContact CB-CG 3.94Å; L150-M260 HydrophobicContact CB-SD 3.64Å; L150-M260 HydrophobicContact CD1-SD 4.3Å; L150-M260 HydrophobicContact CG-SD 4.48Å; L159-M260 HydrophobicContact CD1-CE 4.05Å; L159-M260 HydrophobicContact CD1-SD 3.23Å; L159-M260 WeakPolarHBondContact CD1-SD 3.04Å; H256-M260 PolarHBondContact O-N 2.86Å; H256-M260 VanDerWaalsContact O-N 3.12Å; W257-M260 HydrophobicContact CD2-CE 3.88Å; W257-M260 HydrophobicContact CE3-CE 3.9Å; W257-M260 HydrophobicContact CG-CE 4.49Å; W257-M260 HydrophobicContact CH2-CE 4.31Å; W257-M260 HydrophobicContact CZ2-CE 4.26Å; W257-M260 HydrophobicContact CZ3-CE 4.12Å; W257-M260 WeakPolarHBondContact O-CB 3.24Å; W257-M260 PolarHBondContact O-N 3.24Å; T258-M260 VanDerWaalsContact C-N 3.31Å; T258-M260 PolarHBondContact O-N 2.66Å; M260-S263 PolarHBondContact O-N 3.39Å |
| 261 | I | 95 | Very high | 92.7 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 33% | 0.328 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 178.5 | -63.4 | -62.3 | 0 | 0 | 0 | 111.1 | Y152 P219 W257 T258 S263 | Y152-I261 HydrophobicContact CD1-CD1 4.46Å; P219-I261 HydrophobicContact CB-CD1 3.63Å; P219-I261 HydrophobicContact CG-CD1 3.35Å; W257-I261 WeakPolarHBondContact O-CG1 3.09Å; W257-I261 PolarHBondContact O-N 2.93Å; W257-I261 VanDerWaalsContact O-N 3.15Å; T258-I261 PolarHBondContact O-N 2.94Å; I261-S263 PolarHBondContact O-N 3.2Å |
| 262 | N | 95.5 | Very high | 92.9 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.7 | -13.3 | -178.8 | -69.7 | -18.9 | 0 | 0 | 0 | 113.5 | T258 D259 P264 | T258-N262 WeakPolarHBondContact CG2-ND2 3.12Å; T258-N262 WeakPolarHBondContact O-CB 3.28Å; T258-N262 PolarHBondContact O-N 3.07Å; T258-N262 PolarHBondContact O-ND2 2.67Å; D259-N262 PolarHBondContact O-N 2.99Å; N262-P264 VanDerWaalsContact O-CD 3.22Å; N262-P264 WeakPolarHBondContact O-CD 3.35Å |
| 263 | S | 93.9 | Very high | 93.2 | Very high | 40 Ų | 40 | 65 Ų | 65 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -116.6 | 61.7 | 179.4 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | D259 M260 I261 R265 R266 | D259-S263 WeakPolarHBondContact O-CB 3.21Å; D259-S263 PolarHBondContact O-N 2.81Å; D259-S263 PolarHBondContact O-OG 3.06Å; M260-S263 PolarHBondContact O-N 3.39Å; I261-S263 PolarHBondContact O-N 3.2Å; S263-R265 PolarHBondContact O-N 3.07Å; S263-R266 WeakPolarHBondContact O-CB 3.14Å; S263-R266 PolarHBondContact O-N 3.38Å |
| 264 | P | 91.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 64.5 Ų | 64.5 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.5 | -173.2 | 25 | -35 | 0 | 0 | 0 | 111.4 | P154 N262 R266 | P154-P264 HydrophobicContact CG-CB 4.1Å; N262-P264 VanDerWaalsContact O-CD 3.22Å; N262-P264 WeakPolarHBondContact O-CD 3.35Å; P264-R266 PolarHBondContact O-N 2.75Å |
| 265 | R | 93.9 | Very high | 93.3 | Very high | 158 Ų | 158 | 67 Ų | 67 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 3.2 | -177.3 | -54.4 | 172.2 | -75.3 | -149.8 | -2.9 | 115.2 | R151 Y152 V153 S263 | R151-R265 PolarHBondContact NE-O 2.92Å; R151-R265 PolarHBondContact NH2-O 2.91Å; R151-R265 VanDerWaalsContact NH2-O 3.14Å; Y152-R265 PolarHBondContact O-N 2.85Å; V153-R265 HydrophobicContact CG1-CG 4.47Å; V153-R265 HydrophobicContact CG2-CG 4.46Å; S263-R265 PolarHBondContact O-N 3.07Å |
| 266 | R | 95.6 | Very high | 93.1 | Very high | 188 Ų | 188 | 63.9 Ų | 63.9 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | trans | -101.9 | 147.5 | 170.8 | -62.5 | -172.9 | 177.6 | -152.6 | -0.7 | 110.3 | S263 P264 | S263-R266 WeakPolarHBondContact O-CB 3.14Å; S263-R266 PolarHBondContact O-N 3.38Å; P264-R266 PolarHBondContact O-N 2.75Å | ||
| 267 | S | 95.4 | Very high | 92.6 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | trans | -87.4 | 131.1 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | L150 | L150-S267 WeakPolarHBondContact O-CA 3.38Š| ||
| 268 | T | 95.3 | Very high | 91.2 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.7 | 169.9 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | A149 L150 H256 D259 | A149-T268 CarbonylContact C-O 3.58Å; A149-T268 WeakPolarHBondContact CA-O 3.21Å; L150-T268 PolarHBondContact N-O 2.79Å; L150-T268 PolarHBondContact O-N 3.04Å; L150-T268 PolarHBondContact O-OG1 2.94Å; H256-T268 PolarHBondContact CD2-OG1 2.87Å; H256-T268 VanDerWaalsContact CD2-OG1 3.32Å; H256-T268 PolarHBondContact NE2-O 3.02Å; H256-T268 PolarHBondContact NE2-OG1 3.03Å; D259-T268 HydrophobicContact CB-CG2 4.04Å |
| 269 | A | 96.3 | Very high | 88.9 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L148 A149 M164 | L148-A269 CarbonylContact O-C 3.56Å; L148-A269 WeakPolarHBondContact O-CA 3.43Å; A149-A269 HydrophobicContact CB-CB 4.19Å; M164-A269 HydrophobicContact SD-CB 4.03Å |
| 270 | Q | 92.1 | Very high | 86.2 | Confident | 40 Ų | 40 | 88 Ų | 88 | 19% | 0.187 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 138.8 | -179.2 | -172.9 | 71.2 | -86 | 0 | 0 | 111.5 | L148 H256 H272 | L148-Q270 PolarHBondContact N-O 3.31Å; L148-Q270 PolarHBondContact O-N 2.81Å; H256-Q270 HydrophobicContact CB-CB 4.14Å; H256-Q270 HydrophobicContact CB-CG 4.17Å; Q270-H272 PolarHBondContact O-CD2 3.09Å; Q270-H272 VanDerWaalsContact O-CD2 3.27Å |
| 271 | W | 91.9 | Very high | 85.7 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 28% | 0.28 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.9 | 168 | -73.5 | 95 | 0 | 0 | 0 | 111.2 | E145 C147 E165 K167 | E145-W271 HydrophobicContact CB-CE3 3.81Å; E145-W271 HydrophobicContact CB-CZ3 4.23Å; C147-W271 HydrophobicContact CB-CD2 3.71Å; C147-W271 HydrophobicContact CB-CE3 3.75Å; C147-W271 HydrophobicContact CB-CG 4.36Å; C147-W271 HydrophobicContact CB-CH2 3.94Å; C147-W271 HydrophobicContact CB-CZ2 3.88Å; C147-W271 HydrophobicContact CB-CZ3 3.86Å; E165-W271 HydrophobicContact CG-CH2 3.66Å; E165-W271 HydrophobicContact CG-CZ2 4.04Å; E165-W271 WeakPolarHBondContact OE1-CZ2 3.49Å; K167-W271 HydrophobicContact CB-CH2 4.19Å; K167-W271 HydrophobicContact CB-CZ3 4.21Å; K167-W271 HydrophobicContact CD-CE3 4.29Å; K167-W271 HydrophobicContact CD-CH2 3.59Å; K167-W271 HydrophobicContact CD-CZ2 4.12Å; K167-W271 HydrophobicContact CD-CZ3 3.7Å; K167-W271 HydrophobicContact CG-CE3 4.36Å; K167-W271 HydrophobicContact CG-CH2 3.85Å; K167-W271 HydrophobicContact CG-CZ3 3.59Å |
| 272 | H | 89.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 93.8 Ų | 93.8 | 3% | 0.032 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.8 | 176.2 | -62.1 | -87.5 | 0 | 0 | 0 | 110.2 | E145 V146 I243 H256 Q270 | E145-H272 CarbonylContact C-O 3.57Å; E145-H272 VanDerWaalsContact CA-O 3.23Å; E145-H272 WeakPolarHBondContact CA-O 3.22Å; V146-H272 HydrophobicContact CG1-CB 4.4Å; V146-H272 PolarHBondContact N-O 3.43Å; V146-H272 PolarHBondContact O-N 2.73Å; I243-H272 HydrophobicContact CD1-CB 3.5Å; I243-H272 VanDerWaalsContact CD1-CB 3.5Å; I243-H272 HydrophobicContact CG2-CB 4.05Å; H256-H272 AromaticContact CE1-NE2 3.82Å; H256-H272 AromaticContact CG-NE2 3.77Å; H256-H272 AromaticContact ND1-CE1 3.65Å; H256-H272 AromaticContact ND1-NE2 3.01Å; H256-H272 PolarHBondContact ND1-NE2 2.87Å; Q270-H272 PolarHBondContact O-CD2 3.09Å; Q270-H272 VanDerWaalsContact O-CD2 3.27Å |
| 273 | Q | 87.5 | Confident | 84.6 | Confident | 122 Ų | 122 | 92.7 Ų | 92.7 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.6 | 172.4 | -174.8 | 173 | -12.1 | 0 | 0 | 109.7 | I243 | I243-Q273 VanDerWaalsContact CG2-O 3.24Å; I243-Q273 WeakPolarHBondContact CG2-O 3.36Å |
| 274 | L | 92.1 | Very high | 84.1 | Confident | 2 Ų | 2 | 95.8 Ų | 95.8 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | trans | -72 | 133.5 | 177.3 | -63.5 | 175.5 | 0 | 0 | 0 | 110.4 | L143 G144 V146 L169 V228 I240 I243 | L143-L274 HydrophobicContact CB-CB 3.8Å; G144-L274 WeakPolarHBondContact O-CB 3.24Å; G144-L274 WeakPolarHBondContact O-CG 3.34Å; G144-L274 PolarHBondContact O-N 2.74Å; V146-L274 HydrophobicContact CB-CD2 4.39Å; V146-L274 HydrophobicContact CG1-CD2 3.86Å; L169-L274 HydrophobicContact CD2-CD1 3.61Å; V228-L274 HydrophobicContact CB-CD1 3.94Å; V228-L274 HydrophobicContact CB-CD2 4.43Å; V228-L274 HydrophobicContact CG2-CD1 3.73Å; V228-L274 HydrophobicContact CG2-CD2 3.67Å; V228-L274 HydrophobicContact CG2-CG 4.36Å; I240-L274 HydrophobicContact CG2-CD1 4.29Å; I243-L274 HydrophobicContact CG2-CD2 4.15Å | ||
| 275 | E | 86.8 | Confident | 83.6 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | B | Isolated β-bridge | trans | -104.2 | 152.2 | 176.1 | -60.5 | -171.1 | 161.6 | 0 | 0 | 110.8 | L143 G241 R242 | L143-E275 WeakPolarHBondContact CD1-O 3.23Å; G241-E275 CarbonylContact C-O 3.57Å; G241-E275 WeakPolarHBondContact CA-O 3.49Å; R242-E275 PolarHBondContact N-O 3.29Å; R242-E275 PolarHBondContact O-N 3.09Å |
| 276 | P | 85.6 | Confident | 83 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | trans | -56 | 147.7 | 171.2 | -22.3 | 31.6 | 0 | 0 | 0 | 110.3 | L143 K278 | L143-P276 VanDerWaalsContact CD1-CA 3.49Å; L143-P276 HydrophobicContact CD1-CB 4.21Å; L143-P276 HydrophobicContact CD1-CG 3.9Å; P276-K278 PolarHBondContact O-N 2.86Å; P276-K278 VanDerWaalsContact O-N 3.08Å | ||
| 277 | L | 84 | Confident | 82.1 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 37% | 0.366 | 45% | 0.453 | S | S | . | . | trans | -66.5 | 115.3 | 171.9 | -79.6 | 69.4 | 0 | 0 | 0 | 107.2 | T227 P239 R242 | T227-L277 HydrophobicContact CG2-CD1 4.44Å; P239-L277 HydrophobicContact CB-CD1 3.66Å; P239-L277 HydrophobicContact CB-CD2 3.53Å; P239-L277 HydrophobicContact CB-CG 4.24Å; P239-L277 HydrophobicContact CG-CD1 4.23Å; P239-L277 HydrophobicContact CG-CD2 3.7Å; R242-L277 HydrophobicContact CB-CD1 3.89Å; R242-L277 HydrophobicContact CB-CG 4.12Å; R242-L277 VanDerWaalsContact NH1-CA 3.31Å | ||
| 278 | K | 66.2 | Low | 81 | Confident | 149 Ų | 149 | 88.4 Ų | 88.4 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | trans | -67.8 | 131.1 | 160.7 | -60.7 | -178.2 | -178.9 | 177.9 | 0 | 106.7 | R242 P276 D280 | R242-K278 PolarHBondContact NH1-O 3.34Å; R242-K278 PolarHBondContact NH2-O 3.27Å; P276-K278 PolarHBondContact O-N 2.86Å; P276-K278 VanDerWaalsContact O-N 3.08Å; K278-D280 PolarHBondContact O-N 3.37Å | ||
| 279 | E | 47.3 | Very low | 79.8 | Confident | 196 Ų | 196 | 94 Ų | 94 | 92% | 0.916 | 48% | 0.475 | S | S | * | . | trans | -56.3 | 124.3 | 161.7 | -67.7 | 176.9 | 171 | 0 | 0 | 106.8 | ||||
| 280 | D | 38.5 | Very low | 78.4 | Confident | 216 Ų | 216 | 96.6 Ų | 96.6 | 100% | 1.155 | 47% | 0.47 | S | S | * | . | trans | -81.5 | 0 | 172.4 | -68.5 | -32.1 | 0 | 0 | 0 | 109.7 | K278 | K278-D280 PolarHBondContact O-N 3.37Š|
Retrieved 280 of 280 residues in 86.9 ms
(Link to these results)