| 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 | 36.8 | Very low | 34 | Very low | 241 Ų | 241 | 188.3 Ų | 188.3 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | 0 | 118.6 | 0 | -73.4 | 170.6 | -169.9 | 0 | 0 | 107.2 | |||||
| 2 | E | 35 | Very low | 33.4 | Very low | 161 Ų | 161 | 188.6 Ų | 188.6 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | 30 | 111.4 | 157.3 | -64.8 | 178 | 146.2 | 0 | 0 | 119.7 | ||||
| 3 | R | 30.6 | Very low | 33.3 | Very low | 213 Ų | 213 | 188.5 Ų | 188.5 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | 67.3 | 131.3 | 87.9 | -70.1 | 175.7 | 179.2 | 175.9 | 0.3 | 112.1 | |||||
| 4 | K | 37.6 | Very low | 32.9 | Very low | 174 Ų | 174 | 187.6 Ų | 187.6 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | cis | -169.7 | 132.4 | -0.1 | -101.1 | 176.8 | -178.5 | -175.7 | 0 | 106.9 | ||||
| 5 | T | 35.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 188.9 Ų | 188.9 | 77% | 0.767 | 84% | 0.842 | S | S | * | * | trans | 29.1 | 111.2 | 136 | -22.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 6 | N | 38.4 | Very low | 32.6 | Very low | 151 Ų | 151 | 189.1 Ų | 189.1 | 81% | 0.807 | 85% | 0.845 | S | S | * | * | 63.6 | 110.9 | 70.4 | -155.5 | 13.8 | 0 | 0 | 0 | 115 | |||||
| 7 | R | 33.2 | Very low | 32.3 | Very low | 236 Ų | 236 | 184.2 Ų | 184.2 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | 166.4 | 113.4 | 153 | -111.5 | 177.7 | 163.2 | 164.1 | -5.1 | 109.8 | ||||
| 8 | R | 32.6 | Very low | 32 | Very low | 251 Ų | 251 | 183.2 Ų | 183.2 | 95% | 0.947 | 84% | 0.841 | S | S | * | * | trans | 170.5 | 69.7 | 144.5 | -92.9 | 168.3 | -158.4 | -165.5 | 5.9 | 109 | ||||
| 9 | E | 35.6 | Very low | 32 | Very low | 175 Ų | 175 | 179.9 Ų | 179.9 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -124.8 | 132 | 148.5 | -80.2 | -170.7 | 173.1 | 0 | 0 | 107.1 | ||||
| 10 | K | 30.9 | Very low | 32.2 | Very low | 190 Ų | 190 | 180.5 Ų | 180.5 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | trans | 67.6 | 116.1 | 165.1 | -62 | 175.4 | -179.4 | 177.9 | 0 | 116.7 | ||||
| 11 | E | 28.2 | Very low | 32 | Very low | 154 Ų | 154 | 174.9 Ų | 174.9 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | 174.6 | 152.2 | 111.1 | -87.6 | 170.6 | -177 | 0 | 0 | 109.9 | |||||
| 12 | Y | 26.6 | Very low | 32.3 | Very low | 192 Ų | 192 | 168.9 Ų | 168.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 96.4 | 81.1 | 162.9 | -57.8 | -75.3 | 0 | 0 | 0 | 118.9 | ||||
| 13 | E | 32.2 | Very low | 32.4 | Very low | 187 Ų | 187 | 170.4 Ų | 170.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | -58.6 | 152.7 | 124.6 | -80.6 | 171.7 | 152.9 | 0 | 0 | 110.6 | |||||
| 14 | E | 28.2 | Very low | 32.8 | Very low | 177 Ų | 177 | 169 Ų | 169 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | 73.9 | 109 | 172.6 | -65.8 | -173.6 | 153.8 | 0 | 0 | 118.6 | ||||
| 15 | K | 31.3 | Very low | 32.9 | Very low | 206 Ų | 206 | 167.8 Ų | 167.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | -165 | 119.7 | 110.9 | -98.7 | 165.4 | -165.5 | -175.4 | 0 | 111.7 | |||||
| 16 | H | 29.4 | Very low | 33.4 | Very low | 193 Ų | 193 | 171.5 Ų | 171.5 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | trans | -47.4 | 137.3 | 155.9 | -92.2 | -70.1 | 0 | 0 | 0 | 111.3 | ||||
| 17 | S | 26.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 171.4 Ų | 171.4 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | 153.2 | 126.2 | 114.3 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 18 | N | 28.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 164.9 Ų | 164.9 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | 42.5 | 115.4 | 153.8 | -73.5 | 0.7 | 0 | 0 | 0 | 119.8 | ||||
| 19 | S | 32.1 | Very low | 35 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | -153.3 | 119.1 | 125.4 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 20 | E | 35.9 | Very low | 36.1 | Very low | 192 Ų | 192 | 157 Ų | 157 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -51 | 144.1 | 154.3 | -61.4 | 173.6 | 150.3 | 0 | 0 | 109.2 | ||||
| 21 | G | 28 | Very low | 38.7 | Very low | 62 Ų | 62 | 151.2 Ų | 151.2 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | 166.3 | 78 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E23 | G21-E23 PolarHBondContact O-N 3.04Š| ||
| 22 | S | 42.5 | Very low | 41.8 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 0.3 | 103.6 | 152.6 | 55.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 23 | E | 37.4 | Very low | 45.1 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | trans | -114.2 | 71 | 147.7 | -72.6 | -174.4 | 168.6 | 0 | 0 | 107.5 | G21 D25 | G21-E23 PolarHBondContact O-N 3.04Å; E23-D25 PolarHBondContact O-N 3Å | ||
| 24 | Q | 39.7 | Very low | 48.2 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -69.6 | 93.4 | 156.7 | -83.8 | -177 | -6.2 | 0 | 0 | 106.3 | K26 | Q24-K26 PolarHBondContact O-N 3.22Š| ||
| 25 | D | 39.2 | Very low | 51.5 | Low | 150 Ų | 150 | 125.8 Ų | 125.8 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | trans | -55.8 | 109.8 | 169.7 | -149.9 | -0.8 | 0 | 0 | 0 | 107.7 | E23 D27 | E23-D25 PolarHBondContact O-N 3Å; D25-D27 PolarHBondContact O-N 3.13Å | ||
| 26 | K | 45.5 | Very low | 54.7 | Low | 202 Ų | 202 | 117 Ų | 117 | 88% | 0.878 | 64% | 0.641 | S | S | * | * | trans | -74.6 | 73.4 | 176.1 | -78.9 | -175.9 | 175.7 | 175.8 | 0 | 107.6 | Q24 | Q24-K26 PolarHBondContact O-N 3.22Š| ||
| 27 | D | 43.3 | Very low | 58 | Low | 150 Ų | 150 | 107.8 Ų | 107.8 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | trans | -82.2 | 132.3 | 170.7 | -163.7 | 25.4 | 0 | 0 | 0 | 111 | D25 K29 | D25-D27 PolarHBondContact O-N 3.13Å; D27-K29 PolarHBondContact O-N 2.86Å | ||
| 28 | C | 43 | Very low | 61.3 | Low | 98 Ų | 98 | 104.6 Ų | 104.6 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | trans | -79 | 112.7 | -164.8 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | T30 | C28-T30 PolarHBondContact O-N 2.86Š| ||
| 29 | K | 50.9 | Low | 64.5 | Low | 175 Ų | 175 | 99.4 Ų | 99.4 | 76% | 0.761 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 29.2 | 79.1 | 147.3 | -65.9 | 178 | 177.5 | 177.3 | 0 | 116.2 | D27 | D27-K29 PolarHBondContact O-N 2.86Š|
| 30 | T | 57.9 | Low | 67.7 | Low | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | trans | 175.1 | 51.2 | 144.1 | 35.4 | 0 | 0 | 0 | 0 | 111.4 | C28 L32 Q45 | C28-T30 PolarHBondContact O-N 2.86Å; T30-L32 PolarHBondContact O-N 3.4Å; T30-L32 VanDerWaalsContact O-N 3.16Å; T30-Q45 HydrophobicContact CG2-CG 4.47Å | ||
| 31 | S | 85.6 | Confident | 70.6 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | trans | -66.7 | 120.1 | 169 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | K46 | S31-K46 PolarHBondContact O-N 3.17Å; S31-K46 WeakPolarHBondContact OG-CB 3.19Å | ||
| 32 | L | 94.8 | Very high | 74 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 144 | 171.6 | -65 | 176.2 | 0 | 0 | 0 | 109.2 | T30 I43 T44 Q45 | T30-L32 PolarHBondContact O-N 3.4Å; T30-L32 VanDerWaalsContact O-N 3.16Å; L32-I43 HydrophobicContact CB-CG2 4.43Å; L32-T44 CarbonylContact C-O 3.59Å; L32-T44 WeakPolarHBondContact CA-O 3.48Å; L32-Q45 HydrophobicContact CD2-CG 3.87Å |
| 33 | V | 95.8 | Very high | 76.6 | Confident | 21 Ų | 21 | 93.1 Ų | 93.1 | 13% | 0.127 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.2 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | L35 T44 K46 L49 I61 Y75 | V33-L35 HydrophobicContact CG1-CD2 4.03Å; V33-T44 PolarHBondContact N-O 2.93Å; V33-T44 PolarHBondContact O-N 3.02Å; V33-K46 HydrophobicContact CG2-CB 4.13Å; V33-L49 HydrophobicContact CB-CD1 4.12Å; V33-L49 HydrophobicContact CG1-CD1 4.1Å; V33-I61 HydrophobicContact CB-CD1 4.5Å; V33-I61 HydrophobicContact CG1-CD1 3.83Å; V33-I61 HydrophobicContact CG2-CD1 4.2Å; V33-Y75 HydrophobicContact CG1-CD2 3.76Å; V33-Y75 HydrophobicContact CG1-CE2 3.92Å |
| 34 | T | 97.2 | Very high | 79.4 | Confident | 34 Ų | 34 | 84.2 Ų | 84.2 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.1 | 172.1 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | L41 Y42 I43 H74 Y75 | T34-L41 HydrophobicContact CG2-CD2 4.41Å; T34-Y42 CarbonylContact C-O 3.41Å; T34-Y42 WeakPolarHBondContact CA-O 3.48Å; T34-I43 HydrophobicContact CG2-CG1 4.13Å; T34-H74 WeakPolarHBondContact CB-CD2 3.43Å; T34-H74 HydrophobicContact CG2-CB 4.16Å; T34-Y75 PolarHBondContact O-N 2.93Å |
| 35 | L | 97.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.7 | 174.6 | -54.5 | 177.9 | 0 | 0 | 0 | 108.7 | V33 V37 L41 Y42 L49 L57 Y75 F84 | V33-L35 HydrophobicContact CG1-CD2 4.03Å; L35-V37 HydrophobicContact CB-CG2 4.17Å; L35-L41 CarbonylContact O-C 3.58Å; L35-L41 WeakPolarHBondContact O-CA 3.27Å; L35-Y42 PolarHBondContact N-O 3.17Å; L35-Y42 PolarHBondContact O-N 2.91Å; L35-L49 HydrophobicContact CD1-CD1 3.97Å; L35-L49 HydrophobicContact CD1-CD2 3.77Å; L35-L49 HydrophobicContact CD2-CD1 4.14Å; L35-L49 HydrophobicContact CG-CD1 4.29Å; L35-L57 HydrophobicContact CD1-CD2 4.25Å; L35-Y75 CarbonylContact C-O 3.57Å; L35-Y75 WeakPolarHBondContact CA-O 3.28Å; L35-Y75 HydrophobicContact CD2-CD2 4.06Å; L35-Y75 HydrophobicContact CD2-CG 4.3Å; L35-F84 HydrophobicContact CD1-CE1 4.05Å; L35-F84 HydrophobicContact CD1-CZ 3.71Å |
| 36 | N | 98.2 | Very high | 84.8 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 104.5 | 169.5 | -175.6 | -17 | 0 | 0 | 0 | 108.7 | G39 L41 D70 Y75 F76 I77 | N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 3.2Å; N36-L41 HydrophobicContact CB-CD2 3.7Å; N36-D70 WeakPolarHBondContact CB-OD2 3.38Å; N36-D70 PolarHBondContact ND2-OD2 3.16Å; N36-Y75 PolarHBondContact N-O 3.3Å; N36-F76 HydrophobicContact CB-CD2 4.05Å; N36-F76 CarbonylContact O-C 3.49Å; N36-F76 WeakPolarHBondContact O-CA 3.41Å; N36-F76 WeakPolarHBondContact O-CD2 3.48Å; N36-I77 PolarHBondContact O-N 2.79Å |
| 37 | V | 98.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 101.2 | -176 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | L35 G39 Y40 Y42 I77 R79 G81 F84 | L35-V37 HydrophobicContact CB-CG2 4.17Å; V37-G39 PolarHBondContact O-N 2.81Å; V37-G39 VanDerWaalsContact O-N 3.16Å; V37-Y40 PolarHBondContact N-O 3.48Å; V37-Y40 WeakPolarHBondContact O-CB 3.34Å; V37-Y40 PolarHBondContact O-N 2.78Å; V37-Y42 HydrophobicContact CB-CD2 4.42Å; V37-Y42 HydrophobicContact CG2-CD2 4.19Å; V37-I77 CarbonylContact C-O 3.53Å; V37-I77 VanDerWaalsContact CA-O 3.3Å; V37-I77 WeakPolarHBondContact CA-O 3.39Å; V37-I77 HydrophobicContact CG1-CB 4.35Å; V37-I77 HydrophobicContact CG1-CG2 4.27Å; V37-I77 HydrophobicContact CG2-CB 4.28Å; V37-I77 HydrophobicContact CG2-CD1 4.31Å; V37-R79 HydrophobicContact CG1-CB 4.01Å; V37-G81 VanDerWaalsContact O-CA 3.3Å; V37-G81 WeakPolarHBondContact O-CA 3.16Å; V37-F84 HydrophobicContact CB-CB 4.43Å; V37-F84 HydrophobicContact CB-CD1 4.41Å; V37-F84 HydrophobicContact CB-CG 4.3Å; V37-F84 HydrophobicContact CG1-CB 3.98Å; V37-F84 HydrophobicContact CG1-CD2 4.28Å; V37-F84 HydrophobicContact CG1-CG 4.05Å; V37-F84 HydrophobicContact CG2-CD1 3.79Å; V37-F84 HydrophobicContact CG2-CD2 4.25Å; V37-F84 HydrophobicContact CG2-CE1 3.91Å; V37-F84 HydrophobicContact CG2-CE2 4.38Å; V37-F84 HydrophobicContact CG2-CG 3.95Å; V37-F84 HydrophobicContact CG2-CZ 4.21Å |
| 38 | G | 96.3 | Very high | 89.7 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 31.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I77 R79 | G38-I77 PolarHBondContact N-O 3.05Å; G38-R79 VanDerWaalsContact CA-O 3.27Å; G38-R79 WeakPolarHBondContact CA-O 3.47Å; G38-R79 PolarHBondContact N-O 2.82Å |
| 39 | G | 95.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -6.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | N36 V37 | N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 3.2Å; V37-G39 PolarHBondContact O-N 2.81Å; V37-G39 VanDerWaalsContact O-N 3.16Å |
| 40 | Y | 97.9 | Very high | 94.4 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.5 | 176.3 | -67 | -98.6 | 0 | 0 | 0 | 110.8 | V37 Y42 L82 | V37-Y40 PolarHBondContact N-O 3.48Å; V37-Y40 WeakPolarHBondContact O-CB 3.34Å; V37-Y40 PolarHBondContact O-N 2.78Å; Y40-Y42 WeakPolarHBondContact O-CD2 3.16Å; Y40-L82 HydrophobicContact CD1-CD2 4.37Å; Y40-L82 HydrophobicContact CE1-CD2 3.53Å; Y40-L82 HydrophobicContact CE1-CG 4.04Å; Y40-L82 HydrophobicContact CE2-CG 4.26Å |
| 41 | L | 97.9 | Very high | 96.2 | Very high | 106 Ų | 106 | 54 Ų | 54 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.8 | 178.1 | -63.3 | 179.2 | 0 | 0 | 0 | 111.5 | T34 L35 N36 | T34-L41 HydrophobicContact CG2-CD2 4.41Å; L35-L41 CarbonylContact O-C 3.58Å; L35-L41 WeakPolarHBondContact O-CA 3.27Å; N36-L41 HydrophobicContact CB-CD2 3.7Å |
| 42 | Y | 98.2 | Very high | 96.6 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.1 | 175.5 | -74.3 | -83.9 | 0 | 0 | 0 | 110.3 | T34 L35 V37 Y40 G81 F84 R85 L88 | T34-Y42 CarbonylContact C-O 3.41Å; T34-Y42 WeakPolarHBondContact CA-O 3.48Å; L35-Y42 PolarHBondContact N-O 3.17Å; L35-Y42 PolarHBondContact O-N 2.91Å; V37-Y42 HydrophobicContact CB-CD2 4.42Å; V37-Y42 HydrophobicContact CG2-CD2 4.19Å; Y40-Y42 WeakPolarHBondContact O-CD2 3.16Å; Y42-G81 VanDerWaalsContact CE2-O 3.28Å; Y42-G81 WeakPolarHBondContact CE2-O 3.35Å; Y42-G81 VanDerWaalsContact CZ-O 3.27Å; Y42-G81 PolarHBondContact OH-O 3.19Å; Y42-F84 HydrophobicContact CD1-CD1 4.18Å; Y42-F84 HydrophobicContact CD1-CE1 4.47Å; Y42-F84 AromaticContact CD2-CD1 3.48Å; Y42-F84 HydrophobicContact CD2-CD1 3.48Å; Y42-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y42-F84 AromaticContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CE1-CD1 4.32Å; Y42-F84 HydrophobicContact CE2-CB 4.2Å; Y42-F84 AromaticContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CG 4.37Å; Y42-F84 AromaticContact CG-CD1 3.76Å; Y42-F84 HydrophobicContact CG-CD1 3.76Å; Y42-F84 AromaticContact CG-CE1 3.93Å; Y42-F84 HydrophobicContact CG-CE1 3.93Å; Y42-R85 HydrophobicContact CE1-CB 4.3Å; Y42-R85 PolarHBondContact OH-N 3.43Å; Y42-L88 HydrophobicContact CD1-CD2 3.62Å; Y42-L88 HydrophobicContact CE1-CD2 4.4Å; Y42-L88 HydrophobicContact CG-CD2 4.24Å |
| 43 | I | 97.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 51.5 Ų | 51.5 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.5 | 173.4 | -54.9 | 174.4 | 0 | 0 | 0 | 108.2 | L32 T34 R92 | L32-I43 HydrophobicContact CB-CG2 4.43Å; T34-I43 HydrophobicContact CG2-CG1 4.13Å; I43-R92 PolarHBondContact O-NH2 2.81Å |
| 44 | T | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 176 | 177.6 | -164.1 | 0 | 0 | 0 | 0 | 111 | L32 V33 L49 L88 | L32-T44 CarbonylContact C-O 3.59Å; L32-T44 WeakPolarHBondContact CA-O 3.48Å; V33-T44 PolarHBondContact N-O 2.93Å; V33-T44 PolarHBondContact O-N 3.02Å; T44-L49 HydrophobicContact CG2-CD1 3.84Å; T44-L49 HydrophobicContact CG2-CD2 3.71Å; T44-L49 HydrophobicContact CG2-CG 3.63Å; T44-L88 HydrophobicContact CG2-CD1 4.02Å |
| 45 | Q | 96.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 146.1 | 176.7 | -63.2 | 168.6 | -3 | 0 | 0 | 110.6 | T30 L32 Q47 T48 | T30-Q45 HydrophobicContact CG2-CG 4.47Å; L32-Q45 HydrophobicContact CD2-CG 3.87Å; Q45-Q47 HydrophobicContact CB-CG 3.87Å; Q45-Q47 PolarHBondContact O-N 3.33Å; Q45-T48 WeakPolarHBondContact O-CB 3.36Å; Q45-T48 PolarHBondContact O-N 3.08Å |
| 46 | K | 95.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -49.3 | -43.6 | 174.5 | -168.1 | 179.2 | 177.3 | 171.4 | 0 | 112 | S31 V33 T48 L49 T50 I61 | S31-K46 PolarHBondContact O-N 3.17Å; S31-K46 WeakPolarHBondContact OG-CB 3.19Å; V33-K46 HydrophobicContact CG2-CB 4.13Å; K46-T48 PolarHBondContact O-N 3.05Å; K46-L49 PolarHBondContact O-N 2.84Å; K46-L49 VanDerWaalsContact O-N 3.11Å; K46-T50 HydrophobicContact CG-CG2 4.48Å; K46-T50 PolarHBondContact O-N 2.85Å; K46-T50 VanDerWaalsContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 3.31Å; K46-I61 HydrophobicContact CD-CG2 3.92Å; K46-I61 HydrophobicContact CG-CG2 3.4Å |
| 47 | Q | 95.6 | Very high | 96.3 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -29.5 | 179.5 | 63.4 | 176.7 | 1.8 | 0 | 0 | 114.3 | Q45 K51 | Q45-Q47 HydrophobicContact CB-CG 3.87Å; Q45-Q47 PolarHBondContact O-N 3.33Å; Q47-K51 PolarHBondContact O-N 3.13Å |
| 48 | T | 96.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | Q45 K46 T50 K51 L88 L91 R92 | Q45-T48 WeakPolarHBondContact O-CB 3.36Å; Q45-T48 PolarHBondContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.05Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3.13Å; T48-K51 WeakPolarHBondContact O-CB 3.48Å; T48-K51 PolarHBondContact O-N 2.91Å; T48-L88 HydrophobicContact CG2-CD1 4.04Å; T48-L91 HydrophobicContact CG2-CB 3.72Å; T48-R92 HydrophobicContact CG2-CG 3.69Å |
| 49 | L | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.5 | -28.2 | -179 | -60.6 | 178.2 | 0 | 0 | 0 | 112.3 | V33 L35 T44 K46 L57 E58 I61 L88 L91 | V33-L49 HydrophobicContact CB-CD1 4.12Å; V33-L49 HydrophobicContact CG1-CD1 4.1Å; L35-L49 HydrophobicContact CD1-CD1 3.97Å; L35-L49 HydrophobicContact CD1-CD2 3.77Å; L35-L49 HydrophobicContact CD2-CD1 4.14Å; L35-L49 HydrophobicContact CG-CD1 4.29Å; T44-L49 HydrophobicContact CG2-CD1 3.84Å; T44-L49 HydrophobicContact CG2-CD2 3.71Å; T44-L49 HydrophobicContact CG2-CG 3.63Å; K46-L49 PolarHBondContact O-N 2.84Å; K46-L49 VanDerWaalsContact O-N 3.11Å; L49-L57 HydrophobicContact CB-CB 4.33Å; L49-L57 HydrophobicContact CD2-CB 4.39Å; L49-L57 HydrophobicContact CD2-CD1 4.03Å; L49-L57 HydrophobicContact CD2-CD2 4.47Å; L49-E58 PolarHBondContact O-N 3.31Å; L49-I61 HydrophobicContact CB-CG1 3.85Å; L49-I61 HydrophobicContact CD1-CD1 3.66Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; L49-I61 HydrophobicContact CG-CG1 4.48Å; L49-L88 HydrophobicContact CD2-CD1 4.47Å; L49-L91 HydrophobicContact CD2-CD1 4.31Å |
| 50 | T | 95.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 9.5 | 178 | 64 | 0 | 0 | 0 | 0 | 113.8 | K46 T48 Y52 E58 I61 | K46-T50 HydrophobicContact CG-CG2 4.48Å; K46-T50 PolarHBondContact O-N 2.85Å; K46-T50 VanDerWaalsContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 3.31Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3.13Å; T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 3.4Å; T50-E58 HydrophobicContact CG2-CG 4.35Å; T50-I61 HydrophobicContact CG2-CB 4.06Å; T50-I61 HydrophobicContact CG2-CG2 3.53Å |
| 51 | K | 95.4 | Very high | 96.1 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -64.5 | -35.9 | -176 | -173.3 | -178.5 | -178 | -178.9 | 0 | 112.6 | Q47 T48 L91 R92 | Q47-K51 PolarHBondContact O-N 3.13Å; T48-K51 WeakPolarHBondContact O-CB 3.48Å; T48-K51 PolarHBondContact O-N 2.91Å; K51-L91 WeakPolarHBondContact CD-O 3.45Å; K51-L91 PolarHBondContact NZ-O 3.28Å; K51-R92 PolarHBondContact NZ-O 2.95Å |
| 52 | Y | 94.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -105.1 | 113.4 | 177.9 | -68.3 | -93.4 | 0 | 0 | 0 | 108.8 | T50 S55 F90 L91 G94 L117 V119 | T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 3.4Å; Y52-S55 WeakPolarHBondContact O-CB 3.4Å; Y52-S55 PolarHBondContact O-OG 2.69Å; Y52-F90 HydrophobicContact CE1-CE1 4.05Å; Y52-F90 HydrophobicContact CE1-CZ 4.5Å; Y52-F90 HydrophobicContact CE2-CD1 4.22Å; Y52-F90 AromaticContact CE2-CE1 3.84Å; Y52-F90 HydrophobicContact CE2-CE1 3.84Å; Y52-F90 AromaticContact CZ-CE1 3.48Å; Y52-F90 VanDerWaalsContact CZ-CE1 3.48Å; Y52-F90 WeakPolarHBondContact OH-CE1 3.41Å; Y52-L91 HydrophobicContact CD2-CD2 3.43Å; Y52-L91 VanDerWaalsContact CD2-CD2 3.43Å; Y52-L91 HydrophobicContact CE2-CD2 3.86Å; Y52-L91 HydrophobicContact CG-CD2 4.46Å; Y52-G94 WeakPolarHBondContact OH-CA 3.44Å; Y52-L117 HydrophobicContact CD2-CD2 4.12Å; Y52-L117 HydrophobicContact CG-CD2 3.94Å; Y52-V119 HydrophobicContact CD1-CG2 4.5Å; Y52-V119 HydrophobicContact CE1-CB 4.33Å; Y52-V119 HydrophobicContact CE1-CG2 4.23Å |
| 53 | P | 93.3 | Very high | 95.6 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 152.7 | 175.6 | 28.6 | -34 | 0 | 0 | 0 | 109.9 | S55 | P53-S55 PolarHBondContact O-N 3.5Š|
| 54 | D | 92.9 | Very high | 95.4 | Very high | 125 Ų | 125 | 48.8 Ų | 48.8 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 11.8 | 179.2 | -47.9 | -43.4 | 0 | 0 | 0 | 114.8 | Q116 | D54-Q116 PolarHBondContact O-OE1 3.06Š|
| 55 | S | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -76.9 | 155.1 | 168.4 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | Y52 P53 L57 E58 G59 | Y52-S55 WeakPolarHBondContact O-CB 3.4Å; Y52-S55 PolarHBondContact O-OG 2.69Å; P53-S55 PolarHBondContact O-N 3.5Å; S55-L57 PolarHBondContact O-N 3.43Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.35Å; S55-E58 PolarHBondContact OG-N 3.22Å; S55-G59 PolarHBondContact O-N 2.99Å | ||
| 56 | F | 97.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.2 | -44.2 | 176.1 | 175 | -92.4 | 0 | 0 | 0 | 111.5 | G59 V60 I65 I77 F114 F115 | F56-G59 PolarHBondContact O-N 2.92Å; F56-V60 HydrophobicContact CD1-CG2 4.09Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.31Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.31Å; F56-I65 HydrophobicContact CD2-CD1 3.93Å; F56-I65 HydrophobicContact CD2-CG2 4.32Å; F56-I65 HydrophobicContact CE2-CD1 4.49Å; F56-I65 HydrophobicContact CE2-CG2 3.83Å; F56-I65 HydrophobicContact CG-CD1 4.47Å; F56-I65 HydrophobicContact CZ-CG2 4.42Å; F56-I77 HydrophobicContact CE1-CD1 4.22Å; F56-I77 HydrophobicContact CE1-CG1 4.32Å; F56-F114 HydrophobicContact CD1-CE1 4.46Å; F56-F114 HydrophobicContact CE1-CE1 4.38Å; F56-F114 HydrophobicContact CE2-CZ 4.49Å; F56-F114 HydrophobicContact CZ-CZ 4.44Å; F56-F115 HydrophobicContact CB-CD1 4.49Å; F56-F115 AromaticContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CE1 4.27Å; F56-F115 PolarHBondContact N-O 3.34Å |
| 57 | L | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | -177.6 | -64.6 | 167.6 | 0 | 0 | 0 | 112 | L35 L49 S55 G59 V60 I61 I77 F84 L91 F115 | L35-L57 HydrophobicContact CD1-CD2 4.25Å; L49-L57 HydrophobicContact CB-CB 4.33Å; L49-L57 HydrophobicContact CD2-CB 4.39Å; L49-L57 HydrophobicContact CD2-CD1 4.03Å; L49-L57 HydrophobicContact CD2-CD2 4.47Å; S55-L57 PolarHBondContact O-N 3.43Å; L57-G59 VanDerWaalsContact C-N 3.32Å; L57-V60 PolarHBondContact O-N 2.93Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.81Å; L57-I77 HydrophobicContact CD2-CD1 3.78Å; L57-F84 HydrophobicContact CD1-CE2 4.12Å; L57-F84 HydrophobicContact CD1-CZ 4.28Å; L57-L91 HydrophobicContact CD1-CD1 3.55Å; L57-F115 HydrophobicContact CD1-CD1 4.15Å; L57-F115 HydrophobicContact CD2-CD1 4.18Å; L57-F115 HydrophobicContact CD2-CE1 4.17Å; L57-F115 HydrophobicContact CG-CD1 3.96Å; L57-F115 HydrophobicContact CG-CE1 4.44Å |
| 58 | E | 96.6 | Very high | 95 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 171.9 | -174.7 | -86 | 171.1 | 0 | 0 | 110.9 | L49 T50 S55 V60 I61 N62 K64 | L49-E58 PolarHBondContact O-N 3.31Å; T50-E58 HydrophobicContact CG2-CG 4.35Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.35Å; S55-E58 PolarHBondContact OG-N 3.22Å; E58-V60 PolarHBondContact O-N 2.8Å; E58-I61 PolarHBondContact O-N 2.78Å; E58-N62 VanDerWaalsContact CD-ND2 3.35Å; E58-N62 WeakPolarHBondContact O-CB 3.3Å; E58-N62 PolarHBondContact O-N 3.16Å; E58-N62 PolarHBondContact OE1-ND2 2.88Å; E58-K64 VanDerWaalsContact CD-NZ 3.31Å; E58-K64 IonicContact OE1-NZ 2.8Å; E58-K64 PolarHBondContact OE1-NZ 3.42Å; E58-K64 IonicContact OE2-NZ 2.95Å; E58-K64 PolarHBondContact OE2-NZ 3.45Å |
| 59 | G | 96.3 | Very high | 95 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S55 F56 L57 G63 K64 I65 | S55-G59 PolarHBondContact O-N 2.99Å; F56-G59 PolarHBondContact O-N 2.92Å; L57-G59 VanDerWaalsContact C-N 3.32Å; G59-G63 CarbonylContact O-C 3.49Å; G59-G63 PolarHBondContact O-N 2.89Å; G59-G63 VanDerWaalsContact O-N 3.13Å; G59-K64 PolarHBondContact O-N 3.01Å; G59-I65 PolarHBondContact O-N 2.82Å |
| 60 | V | 95.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | F56 L57 E58 N62 G63 I65 C67 Y75 | F56-V60 HydrophobicContact CD1-CG2 4.09Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.31Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.31Å; L57-V60 PolarHBondContact O-N 2.93Å; E58-V60 PolarHBondContact O-N 2.8Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 2.98Å; V60-G63 PolarHBondContact O-N 3.45Å; V60-G63 VanDerWaalsContact O-N 3.13Å; V60-I65 HydrophobicContact CG2-CB 4.02Å; V60-I65 HydrophobicContact CG2-CG2 3.93Å; V60-C67 HydrophobicContact CB-CB 4.26Å; V60-C67 HydrophobicContact CG1-CB 3.53Å; V60-C67 HydrophobicContact CG2-CB 3.73Å; V60-Y75 HydrophobicContact CG1-CD1 3.65Å; V60-Y75 HydrophobicContact CG1-CE1 3.86Å; V60-Y75 HydrophobicContact CG1-CG 4.09Å |
| 61 | I | 95.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.4 | -30.3 | -174.9 | -69.1 | -60.1 | 0 | 0 | 0 | 113.1 | V33 K46 L49 T50 L57 E58 G63 Y75 | V33-I61 HydrophobicContact CB-CD1 4.5Å; V33-I61 HydrophobicContact CG1-CD1 3.83Å; V33-I61 HydrophobicContact CG2-CD1 4.2Å; K46-I61 HydrophobicContact CD-CG2 3.92Å; K46-I61 HydrophobicContact CG-CG2 3.4Å; L49-I61 HydrophobicContact CB-CG1 3.85Å; L49-I61 HydrophobicContact CD1-CD1 3.66Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; L49-I61 HydrophobicContact CG-CG1 4.48Å; T50-I61 HydrophobicContact CG2-CB 4.06Å; T50-I61 HydrophobicContact CG2-CG2 3.53Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.81Å; E58-I61 PolarHBondContact O-N 2.78Å; I61-G63 VanDerWaalsContact C-N 3.34Å; I61-Y75 HydrophobicContact CD1-CD2 4.35Å; I61-Y75 HydrophobicContact CD1-CE2 3.97Å |
| 62 | N | 93.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.8 | 175.8 | -70 | -18.5 | 0 | 0 | 0 | 112.9 | E58 V60 K64 | E58-N62 VanDerWaalsContact CD-ND2 3.35Å; E58-N62 WeakPolarHBondContact O-CB 3.3Å; E58-N62 PolarHBondContact O-N 3.16Å; E58-N62 PolarHBondContact OE1-ND2 2.88Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 2.98Å; N62-K64 PolarHBondContact O-N 3.33Å |
| 63 | G | 92.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 11.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G59 V60 I61 | G59-G63 CarbonylContact O-C 3.49Å; G59-G63 PolarHBondContact O-N 2.89Å; G59-G63 VanDerWaalsContact O-N 3.13Å; V60-G63 PolarHBondContact O-N 3.45Å; V60-G63 VanDerWaalsContact O-N 3.13Å; I61-G63 VanDerWaalsContact C-N 3.34Å |
| 64 | K | 93.6 | Very high | 94.8 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -73.1 | -31 | 173.7 | -59.8 | 175.3 | -174.1 | 161.3 | 0 | 111.7 | E58 G59 N62 | E58-K64 VanDerWaalsContact CD-NZ 3.31Å; E58-K64 IonicContact OE1-NZ 2.8Å; E58-K64 PolarHBondContact OE1-NZ 3.42Å; E58-K64 IonicContact OE2-NZ 2.95Å; E58-K64 PolarHBondContact OE2-NZ 3.45Å; G59-K64 PolarHBondContact O-N 3.01Å; N62-K64 PolarHBondContact O-N 3.33Å |
| 65 | I | 93.9 | Very high | 95 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -114.6 | 125.2 | 179.1 | -61.4 | 175.9 | 0 | 0 | 0 | 107.8 | F56 G59 V60 C67 | F56-I65 HydrophobicContact CD2-CD1 3.93Å; F56-I65 HydrophobicContact CD2-CG2 4.32Å; F56-I65 HydrophobicContact CE2-CD1 4.49Å; F56-I65 HydrophobicContact CE2-CG2 3.83Å; F56-I65 HydrophobicContact CG-CD1 4.47Å; F56-I65 HydrophobicContact CZ-CG2 4.42Å; G59-I65 PolarHBondContact O-N 2.82Å; V60-I65 HydrophobicContact CG2-CB 4.02Å; V60-I65 HydrophobicContact CG2-CG2 3.93Å; I65-C67 PolarHBondContact O-N 2.55Å |
| 66 | M | 93.4 | Very high | 95 | Very high | 189 Ų | 189 | 61.3 Ų | 61.3 | 93% | 0.931 | 35% | 0.346 | S | S | * | . | trans | -73.4 | 124.4 | 172.7 | -62.3 | -136.2 | 82.1 | 0 | 0 | 109.5 | ||||
| 67 | C | 93.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 60 Ų | 60 | 14% | 0.142 | 34% | 0.341 | C | S | . | . | trans | -123.6 | 131.9 | 177.8 | 178 | 0 | 0 | 0 | 0 | 108.4 | V60 I65 Y75 F76 | V60-C67 HydrophobicContact CB-CB 4.26Å; V60-C67 HydrophobicContact CG1-CB 3.53Å; V60-C67 HydrophobicContact CG2-CB 3.73Å; I65-C67 PolarHBondContact O-N 2.55Å; C67-Y75 HydrophobicContact CB-CD1 4.06Å; C67-F76 PolarHBondContact SG-O 3.49Å | ||
| 68 | P | 95.3 | Very high | 95.1 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -62.9 | 155.8 | 177.1 | 26.7 | -32.8 | 0 | 0 | 0 | 110.7 | F76 | P68-F76 HydrophobicContact CG-CB 4.3Å; P68-F76 HydrophobicContact CG-CD1 4.15Å; P68-F76 WeakPolarHBondContact CG-O 3.49Å; P68-F76 PolarHBondContact O-N 3.36Å | ||
| 69 | L | 96.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 68.9 Ų | 68.9 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -106.2 | 146.2 | 171.2 | -59.4 | 176.3 | 0 | 0 | 0 | 109.4 | H74 Y75 | L69-H74 CarbonylContact C-O 3.52Å; L69-H74 WeakPolarHBondContact CA-O 3.41Å; L69-Y75 HydrophobicContact CD2-CD1 3.69Å; L69-Y75 HydrophobicContact CD2-CE1 4.01Å; L69-Y75 HydrophobicContact CD2-CG 4.17Å |
| 70 | D | 94.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | trans | -75.5 | -179.6 | 168.9 | 68.9 | 12 | 0 | 0 | 0 | 111.8 | N36 E72 G73 H74 F76 | N36-D70 WeakPolarHBondContact CB-OD2 3.38Å; N36-D70 PolarHBondContact ND2-OD2 3.16Å; D70-E72 PolarHBondContact O-N 3.01Å; D70-E72 PolarHBondContact OD1-N 3.09Å; D70-E72 VanDerWaalsContact OD1-N 3.13Å; D70-G73 PolarHBondContact O-N 3.45Å; D70-G73 PolarHBondContact OD1-N 3.36Å; D70-H74 PolarHBondContact N-O 3.46Å; D70-H74 WeakPolarHBondContact OD1-CB 3.41Å; D70-H74 IonicContact OD1-CG 3.62Å; D70-H74 PolarHBondContact OD1-N 3.1Å; D70-H74 IonicContact OD1-ND1 3.4Å; D70-H74 PolarHBondContact OD1-ND1 3.04Å; D70-H74 WeakPolarHBondContact OD2-CB 3.38Å; D70-H74 IonicContact OD2-CG 3.71Å; D70-H74 IonicContact OD2-ND1 3.17Å; D70-H74 PolarHBondContact OD2-ND1 3.11Å; D70-F76 HydrophobicContact CB-CB 4.48Å | ||
| 71 | A | 93.8 | Very high | 95.3 | Very high | 101 Ų | 101 | 71.4 Ų | 71.4 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 72 | E | 94 | Very high | 95.4 | Very high | 134 Ų | 134 | 75.6 Ų | 75.6 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -2.3 | 178.8 | -63.3 | 71.9 | -155.4 | 0 | 0 | 112.8 | D70 H74 | D70-E72 PolarHBondContact O-N 3.01Å; D70-E72 PolarHBondContact OD1-N 3.09Å; D70-E72 VanDerWaalsContact OD1-N 3.13Å; E72-H74 VanDerWaalsContact CB-CE1 3.41Å; E72-H74 WeakPolarHBondContact CB-CE1 3.38Å |
| 73 | G | 93.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 72.1 Ų | 72.1 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 84.5 | 15.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D70 | D70-G73 PolarHBondContact O-N 3.45Å; D70-G73 PolarHBondContact OD1-N 3.36Å |
| 74 | H | 95.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 150.7 | 173.5 | -45.8 | 124.4 | 0 | 0 | 0 | 111.3 | T34 L69 D70 E72 F76 | T34-H74 WeakPolarHBondContact CB-CD2 3.43Å; T34-H74 HydrophobicContact CG2-CB 4.16Å; L69-H74 CarbonylContact C-O 3.52Å; L69-H74 WeakPolarHBondContact CA-O 3.41Å; D70-H74 PolarHBondContact N-O 3.46Å; D70-H74 WeakPolarHBondContact OD1-CB 3.41Å; D70-H74 IonicContact OD1-CG 3.62Å; D70-H74 PolarHBondContact OD1-N 3.1Å; D70-H74 IonicContact OD1-ND1 3.4Å; D70-H74 PolarHBondContact OD1-ND1 3.04Å; D70-H74 WeakPolarHBondContact OD2-CB 3.38Å; D70-H74 IonicContact OD2-CG 3.71Å; D70-H74 IonicContact OD2-ND1 3.17Å; D70-H74 PolarHBondContact OD2-ND1 3.11Å; E72-H74 VanDerWaalsContact CB-CE1 3.41Å; E72-H74 WeakPolarHBondContact CB-CE1 3.38Å; H74-F76 PolarHBondContact O-N 2.91Å |
| 75 | Y | 96.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 121.2 | 174.6 | -66.8 | -73.4 | 0 | 0 | 0 | 110.9 | V33 T34 L35 N36 V60 I61 C67 L69 | V33-Y75 HydrophobicContact CG1-CD2 3.76Å; V33-Y75 HydrophobicContact CG1-CE2 3.92Å; T34-Y75 PolarHBondContact O-N 2.93Å; L35-Y75 CarbonylContact C-O 3.57Å; L35-Y75 WeakPolarHBondContact CA-O 3.28Å; L35-Y75 HydrophobicContact CD2-CD2 4.06Å; L35-Y75 HydrophobicContact CD2-CG 4.3Å; N36-Y75 PolarHBondContact N-O 3.3Å; V60-Y75 HydrophobicContact CG1-CD1 3.65Å; V60-Y75 HydrophobicContact CG1-CE1 3.86Å; V60-Y75 HydrophobicContact CG1-CG 4.09Å; I61-Y75 HydrophobicContact CD1-CD2 4.35Å; I61-Y75 HydrophobicContact CD1-CE2 3.97Å; C67-Y75 HydrophobicContact CB-CD1 4.06Å; L69-Y75 HydrophobicContact CD2-CD1 3.69Å; L69-Y75 HydrophobicContact CD2-CE1 4.01Å; L69-Y75 HydrophobicContact CD2-CG 4.17Å |
| 76 | F | 97.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 69 Ų | 69 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.4 | -179.5 | -178.4 | -103.9 | 0 | 0 | 0 | 111.5 | N36 C67 P68 D70 H74 D78 | N36-F76 HydrophobicContact CB-CD2 4.05Å; N36-F76 CarbonylContact O-C 3.49Å; N36-F76 WeakPolarHBondContact O-CA 3.41Å; N36-F76 WeakPolarHBondContact O-CD2 3.48Å; C67-F76 PolarHBondContact SG-O 3.49Å; P68-F76 HydrophobicContact CG-CB 4.3Å; P68-F76 HydrophobicContact CG-CD1 4.15Å; P68-F76 WeakPolarHBondContact CG-O 3.49Å; P68-F76 PolarHBondContact O-N 3.36Å; D70-F76 HydrophobicContact CB-CB 4.48Å; H74-F76 PolarHBondContact O-N 2.91Å; F76-D78 HydrophobicContact CE1-CB 3.92Å; F76-D78 HydrophobicContact CZ-CB 4.31Å |
| 77 | I | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 114.9 | -179.7 | -60 | 171.5 | 0 | 0 | 0 | 107.5 | N36 V37 G38 F56 L57 R79 F114 F115 | N36-I77 PolarHBondContact O-N 2.79Å; V37-I77 CarbonylContact C-O 3.53Å; V37-I77 VanDerWaalsContact CA-O 3.3Å; V37-I77 WeakPolarHBondContact CA-O 3.39Å; V37-I77 HydrophobicContact CG1-CB 4.35Å; V37-I77 HydrophobicContact CG1-CG2 4.27Å; V37-I77 HydrophobicContact CG2-CB 4.28Å; V37-I77 HydrophobicContact CG2-CD1 4.31Å; G38-I77 PolarHBondContact N-O 3.05Å; F56-I77 HydrophobicContact CE1-CD1 4.22Å; F56-I77 HydrophobicContact CE1-CG1 4.32Å; L57-I77 HydrophobicContact CD2-CD1 3.78Å; I77-R79 HydrophobicContact CG2-CB 3.94Å; I77-R79 HydrophobicContact CG2-CG 3.57Å; I77-R79 PolarHBondContact O-N 3.18Å; I77-F114 HydrophobicContact CG2-CE1 4.13Å; I77-F115 HydrophobicContact CD1-CE1 4.29Å; I77-F115 HydrophobicContact CG2-CE1 4.03Å; I77-F115 HydrophobicContact CG2-CZ 4.13Å |
| 78 | D | 97.3 | Very high | 96.7 | Very high | 132 Ų | 132 | 59 Ų | 59 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | trans | -80.7 | 67.2 | -178.7 | -170.2 | 23.4 | 0 | 0 | 0 | 111.6 | F76 | F76-D78 HydrophobicContact CE1-CB 3.92Å; F76-D78 HydrophobicContact CZ-CB 4.31Å | ||
| 79 | R | 97.9 | Very high | 96.8 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -137.1 | 173.1 | -177.8 | -63.5 | -56.2 | -61 | 175.1 | 0.4 | 111.9 | V37 G38 I77 G81 E111 F114 F115 | V37-R79 HydrophobicContact CG1-CB 4.01Å; G38-R79 VanDerWaalsContact CA-O 3.27Å; G38-R79 WeakPolarHBondContact CA-O 3.47Å; G38-R79 PolarHBondContact N-O 2.82Å; I77-R79 HydrophobicContact CG2-CB 3.94Å; I77-R79 HydrophobicContact CG2-CG 3.57Å; I77-R79 PolarHBondContact O-N 3.18Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.08Å; R79-E111 IonicContact CZ-OE1 3.42Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.43Å; R79-E111 PolarHBondContact NE-OE1 3.34Å; R79-E111 IonicContact NE-OE2 2.92Å; R79-E111 PolarHBondContact NE-OE2 3.01Å; R79-E111 IonicContact NH2-OE1 2.69Å; R79-E111 PolarHBondContact NH2-OE1 3.31Å; R79-E111 IonicContact NH2-OE2 3.5Å; R79-E111 PolarHBondContact NH2-OE2 3.26Å; R79-F114 HydrophobicContact CG-CD1 3.62Å; R79-F114 HydrophobicContact CG-CE1 3.35Å; R79-F114 HydrophobicContact CG-CE2 4.28Å; R79-F114 HydrophobicContact CG-CG 4.22Å; R79-F114 HydrophobicContact CG-CZ 3.71Å; R79-F115 HydrophobicContact CB-CZ 4.3Å; R79-F115 HydrophobicContact CG-CZ 4.2Å |
| 80 | D | 97.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -67 | 106.3 | 177.8 | -169.8 | -44.7 | 0 | 0 | 0 | 111.5 | L82 L83 F84 | D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 2.8Å; D80-L82 WeakPolarHBondContact OD1-CA 3.43Å; D80-L82 WeakPolarHBondContact OD1-CB 3.07Å; D80-L82 PolarHBondContact OD1-N 2.95Å; D80-L83 HydrophobicContact CB-CB 4.26Å; D80-L83 HydrophobicContact CB-CD1 4.2Å; D80-L83 HydrophobicContact CB-CG 4.44Å; D80-L83 PolarHBondContact OD1-N 3.03Å; D80-F84 WeakPolarHBondContact O-CB 3.43Å; D80-F84 PolarHBondContact O-N 3.17Å; D80-F84 VanDerWaalsContact O-N 3.09Å | ||
| 81 | G | 97.3 | Very high | 97 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.6 | -24 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V37 Y42 R79 | V37-G81 VanDerWaalsContact O-CA 3.3Å; V37-G81 WeakPolarHBondContact O-CA 3.16Å; Y42-G81 VanDerWaalsContact CE2-O 3.28Å; Y42-G81 WeakPolarHBondContact CE2-O 3.35Å; Y42-G81 VanDerWaalsContact CZ-O 3.27Å; Y42-G81 PolarHBondContact OH-O 3.19Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.08Å |
| 82 | L | 96.9 | Very high | 97.1 | Very high | 103 Ų | 103 | 51.6 Ų | 51.6 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.6 | -47 | 176.7 | -68.7 | 172.9 | 0 | 0 | 0 | 110.6 | Y40 D80 F84 R85 | Y40-L82 HydrophobicContact CD1-CD2 4.37Å; Y40-L82 HydrophobicContact CE1-CD2 3.53Å; Y40-L82 HydrophobicContact CE1-CG 4.04Å; Y40-L82 HydrophobicContact CE2-CG 4.26Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 2.8Å; D80-L82 WeakPolarHBondContact OD1-CA 3.43Å; D80-L82 WeakPolarHBondContact OD1-CB 3.07Å; D80-L82 PolarHBondContact OD1-N 2.95Å; L82-F84 VanDerWaalsContact C-N 3.27Å; L82-F84 PolarHBondContact O-N 2.8Å; L82-R85 WeakPolarHBondContact O-CB 3.44Å; L82-R85 PolarHBondContact O-N 2.68Å |
| 83 | L | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -30 | 177.6 | -68.8 | 174.4 | 0 | 0 | 0 | 112.2 | D80 R85 H86 F102 E104 L107 E111 | D80-L83 HydrophobicContact CB-CB 4.26Å; D80-L83 HydrophobicContact CB-CD1 4.2Å; D80-L83 HydrophobicContact CB-CG 4.44Å; D80-L83 PolarHBondContact OD1-N 3.03Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact O-N 3.11Å; L83-H86 WeakPolarHBondContact O-CB 3.48Å; L83-H86 PolarHBondContact O-N 3.4Å; L83-F102 HydrophobicContact CD2-CE2 4.47Å; L83-F102 HydrophobicContact CD2-CZ 4.06Å; L83-E104 HydrophobicContact CD2-CB 4.17Å; L83-L107 HydrophobicContact CD1-CB 3.46Å; L83-L107 VanDerWaalsContact CD1-CB 3.46Å; L83-L107 HydrophobicContact CD1-CD1 4.47Å; L83-E111 HydrophobicContact CB-CG 3.98Å; L83-E111 HydrophobicContact CD1-CG 4.09Å |
| 84 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.3 | -28.3 | 176.6 | -172.3 | -103.9 | 0 | 0 | 0 | 113.5 | L35 V37 Y42 L57 D80 L82 H86 V87 L88 F115 | L35-F84 HydrophobicContact CD1-CE1 4.05Å; L35-F84 HydrophobicContact CD1-CZ 3.71Å; V37-F84 HydrophobicContact CB-CB 4.43Å; V37-F84 HydrophobicContact CB-CD1 4.41Å; V37-F84 HydrophobicContact CB-CG 4.3Å; V37-F84 HydrophobicContact CG1-CB 3.98Å; V37-F84 HydrophobicContact CG1-CD2 4.28Å; V37-F84 HydrophobicContact CG1-CG 4.05Å; V37-F84 HydrophobicContact CG2-CD1 3.79Å; V37-F84 HydrophobicContact CG2-CD2 4.25Å; V37-F84 HydrophobicContact CG2-CE1 3.91Å; V37-F84 HydrophobicContact CG2-CE2 4.38Å; V37-F84 HydrophobicContact CG2-CG 3.95Å; V37-F84 HydrophobicContact CG2-CZ 4.21Å; Y42-F84 HydrophobicContact CD1-CD1 4.18Å; Y42-F84 HydrophobicContact CD1-CE1 4.47Å; Y42-F84 AromaticContact CD2-CD1 3.48Å; Y42-F84 HydrophobicContact CD2-CD1 3.48Å; Y42-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y42-F84 AromaticContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CE1-CD1 4.32Å; Y42-F84 HydrophobicContact CE2-CB 4.2Å; Y42-F84 AromaticContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CG 4.37Å; Y42-F84 AromaticContact CG-CD1 3.76Å; Y42-F84 HydrophobicContact CG-CD1 3.76Å; Y42-F84 AromaticContact CG-CE1 3.93Å; Y42-F84 HydrophobicContact CG-CE1 3.93Å; L57-F84 HydrophobicContact CD1-CE2 4.12Å; L57-F84 HydrophobicContact CD1-CZ 4.28Å; D80-F84 WeakPolarHBondContact O-CB 3.43Å; D80-F84 PolarHBondContact O-N 3.17Å; D80-F84 VanDerWaalsContact O-N 3.09Å; L82-F84 VanDerWaalsContact C-N 3.27Å; L82-F84 PolarHBondContact O-N 2.8Å; F84-H86 PolarHBondContact O-N 3.16Å; F84-V87 HydrophobicContact CD2-CB 4.19Å; F84-V87 HydrophobicContact CD2-CG1 4.4Å; F84-V87 HydrophobicContact CE2-CG1 4.31Å; F84-V87 WeakPolarHBondContact O-CB 3.37Å; F84-V87 PolarHBondContact O-N 2.97Å; F84-V87 VanDerWaalsContact O-N 3.16Å; F84-L88 HydrophobicContact CD1-CB 4.42Å; F84-L88 HydrophobicContact CE1-CB 4.14Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 3.04Å; F84-F115 HydrophobicContact CD2-CD2 4.48Å; F84-F115 HydrophobicContact CD2-CE1 4.17Å; F84-F115 AromaticContact CD2-CE2 3.65Å; F84-F115 HydrophobicContact CD2-CE2 3.65Å; F84-F115 AromaticContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CD2-CZ 3.45Å; F84-F115 VanDerWaalsContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CE2-CD1 4.49Å; F84-F115 AromaticContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE2 4.06Å; F84-F115 AromaticContact CE2-CZ 3.63Å; F84-F115 HydrophobicContact CE2-CZ 3.63Å |
| 85 | R | 97.6 | Very high | 97.1 | Very high | 154 Ų | 154 | 51.7 Ų | 51.7 | 58% | 0.581 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -53 | -42.2 | 173 | -179.7 | 179.4 | 173.7 | 171.4 | -1.3 | 112.1 | Y42 L82 L83 N89 | Y42-R85 HydrophobicContact CE1-CB 4.3Å; Y42-R85 PolarHBondContact OH-N 3.43Å; L82-R85 WeakPolarHBondContact O-CB 3.44Å; L82-R85 PolarHBondContact O-N 2.68Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact O-N 3.11Å; R85-N89 WeakPolarHBondContact O-CB 3.36Å; R85-N89 VanDerWaalsContact O-CG 3.28Å; R85-N89 PolarHBondContact O-N 3.36Å |
| 86 | H | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.3 | -39.2 | -179.1 | -61.3 | -64.4 | 0 | 0 | 0 | 111.4 | L83 F84 N89 F90 L98 F102 L108 | L83-H86 WeakPolarHBondContact O-CB 3.48Å; L83-H86 PolarHBondContact O-N 3.4Å; F84-H86 PolarHBondContact O-N 3.16Å; H86-N89 PolarHBondContact O-N 3.11Å; H86-F90 PolarHBondContact O-N 3.08Å; H86-L98 HydrophobicContact CB-CD2 4.07Å; H86-L98 WeakPolarHBondContact ND1-CD2 3.47Å; H86-F102 AromaticContact CD2-CE2 3.94Å; H86-F102 AromaticContact NE2-CE2 3.6Å; H86-L108 HydrophobicContact CB-CD1 3.82Å; H86-L108 HydrophobicContact CB-CD2 4.19Å |
| 87 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 172.2 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | F84 N89 F90 L91 L108 E111 F115 L117 L120 | F84-V87 HydrophobicContact CD2-CB 4.19Å; F84-V87 HydrophobicContact CD2-CG1 4.4Å; F84-V87 HydrophobicContact CE2-CG1 4.31Å; F84-V87 WeakPolarHBondContact O-CB 3.37Å; F84-V87 PolarHBondContact O-N 2.97Å; F84-V87 VanDerWaalsContact O-N 3.16Å; V87-N89 PolarHBondContact O-N 2.99Å; V87-F90 WeakPolarHBondContact O-CB 3.45Å; V87-F90 PolarHBondContact O-N 3.37Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.26Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å; V87-E111 HydrophobicContact CG2-CB 4.25Å; V87-F115 HydrophobicContact CG1-CD2 3.95Å; V87-F115 HydrophobicContact CG1-CG 4.32Å; V87-F115 HydrophobicContact CG2-CD2 4.09Å; V87-F115 HydrophobicContact CG2-CE2 4.36Å; V87-L117 HydrophobicContact CG1-CD1 3.55Å; V87-L120 HydrophobicContact CB-CD2 4.38Å; V87-L120 HydrophobicContact CG1-CD2 4.3Å; V87-L120 HydrophobicContact CG2-CD2 4.07Å |
| 88 | L | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | -179.6 | -175.8 | 58.3 | 0 | 0 | 0 | 112.6 | Y42 T44 T48 L49 F84 F90 L91 R92 | Y42-L88 HydrophobicContact CD1-CD2 3.62Å; Y42-L88 HydrophobicContact CE1-CD2 4.4Å; Y42-L88 HydrophobicContact CG-CD2 4.24Å; T44-L88 HydrophobicContact CG2-CD1 4.02Å; T48-L88 HydrophobicContact CG2-CD1 4.04Å; L49-L88 HydrophobicContact CD2-CD1 4.47Å; F84-L88 HydrophobicContact CD1-CB 4.42Å; F84-L88 HydrophobicContact CE1-CB 4.14Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 3.04Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-L91 HydrophobicContact CD1-CD1 4.5Å; L88-L91 PolarHBondContact O-N 3.45Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.23Å |
| 89 | N | 97.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 174.7 | -76.7 | -13.5 | 0 | 0 | 0 | 112.2 | R85 H86 V87 L91 R92 N93 | R85-N89 WeakPolarHBondContact O-CB 3.36Å; R85-N89 VanDerWaalsContact O-CG 3.28Å; R85-N89 PolarHBondContact O-N 3.36Å; H86-N89 PolarHBondContact O-N 3.11Å; V87-N89 PolarHBondContact O-N 2.99Å; N89-L91 VanDerWaalsContact C-N 3.35Å; N89-R92 PolarHBondContact O-N 3.44Å; N89-R92 PolarHBondContact OD1-NH1 3.09Å; N89-N93 PolarHBondContact O-N 3.38Å |
| 90 | F | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 172.1 | 179.6 | -92.3 | 0 | 0 | 0 | 111.3 | Y52 H86 V87 L88 R92 N93 G94 L96 V119 L120 | Y52-F90 HydrophobicContact CE1-CE1 4.05Å; Y52-F90 HydrophobicContact CE1-CZ 4.5Å; Y52-F90 HydrophobicContact CE2-CD1 4.22Å; Y52-F90 AromaticContact CE2-CE1 3.84Å; Y52-F90 HydrophobicContact CE2-CE1 3.84Å; Y52-F90 AromaticContact CZ-CE1 3.48Å; Y52-F90 VanDerWaalsContact CZ-CE1 3.48Å; Y52-F90 WeakPolarHBondContact OH-CE1 3.41Å; H86-F90 PolarHBondContact O-N 3.08Å; V87-F90 WeakPolarHBondContact O-CB 3.45Å; V87-F90 PolarHBondContact O-N 3.37Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.22Å; F90-N93 PolarHBondContact O-N 3.11Å; F90-G94 VanDerWaalsContact O-CA 3.26Å; F90-G94 WeakPolarHBondContact O-CA 3.39Å; F90-G94 PolarHBondContact O-N 3.01Å; F90-L96 HydrophobicContact CD2-CB 4.46Å; F90-V119 HydrophobicContact CZ-CB 4.07Å; F90-V119 HydrophobicContact CZ-CG1 3.89Å; F90-L120 HydrophobicContact CB-CD1 4.02Å; F90-L120 HydrophobicContact CB-CD2 4.34Å; F90-L120 HydrophobicContact CD1-CB 3.84Å; F90-L120 HydrophobicContact CD1-CD1 4.28Å; F90-L120 HydrophobicContact CD1-CD2 4.29Å; F90-L120 HydrophobicContact CD1-CG 4.35Å; F90-L120 HydrophobicContact CD2-CB 4.36Å; F90-L120 HydrophobicContact CD2-CD1 3.64Å; F90-L120 HydrophobicContact CE1-CB 3.74Å; F90-L120 HydrophobicContact CE2-CB 4.27Å; F90-L120 HydrophobicContact CE2-CD1 4.16Å; F90-L120 HydrophobicContact CG-CB 4.16Å; F90-L120 HydrophobicContact CG-CD1 3.71Å; F90-L120 HydrophobicContact CG-CD2 4.31Å; F90-L120 HydrophobicContact CG-CG 4.26Å; F90-L120 HydrophobicContact CZ-CB 3.97Å |
| 91 | L | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.1 | -65.3 | 173.8 | 0 | 0 | 0 | 112.1 | T48 L49 K51 Y52 L57 V87 L88 N89 L117 | T48-L91 HydrophobicContact CG2-CB 3.72Å; L49-L91 HydrophobicContact CD2-CD1 4.31Å; K51-L91 WeakPolarHBondContact CD-O 3.45Å; K51-L91 PolarHBondContact NZ-O 3.28Å; Y52-L91 HydrophobicContact CD2-CD2 3.43Å; Y52-L91 VanDerWaalsContact CD2-CD2 3.43Å; Y52-L91 HydrophobicContact CE2-CD2 3.86Å; Y52-L91 HydrophobicContact CG-CD2 4.46Å; L57-L91 HydrophobicContact CD1-CD1 3.55Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD1-CD1 4.5Å; L88-L91 PolarHBondContact O-N 3.45Å; N89-L91 VanDerWaalsContact C-N 3.35Å; L91-L117 HydrophobicContact CD2-CD1 3.98Å; L91-L117 HydrophobicContact CD2-CD2 3.83Å; L91-L117 HydrophobicContact CG-CD1 4.42Å |
| 92 | R | 96.4 | Very high | 93.9 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -55.8 | 177.1 | -69.9 | 167.8 | 178.3 | 161.4 | -4.7 | 111.4 | I43 T48 K51 L88 N89 F90 | I43-R92 PolarHBondContact O-NH2 2.81Å; T48-R92 HydrophobicContact CG2-CG 3.69Å; K51-R92 PolarHBondContact NZ-O 2.95Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.23Å; N89-R92 PolarHBondContact O-N 3.44Å; N89-R92 PolarHBondContact OD1-NH1 3.09Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.22Å |
| 93 | N | 94.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -90.2 | -28.9 | -165.5 | -57.5 | -10.2 | 0 | 0 | 0 | 112.7 | N89 F90 E95 | N89-N93 PolarHBondContact O-N 3.38Å; F90-N93 PolarHBondContact O-N 3.11Å; N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 HydrophobicContact CB-CG 3.94Å |
| 94 | G | 93.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 83.3 | 6.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y52 F90 | Y52-G94 WeakPolarHBondContact OH-CA 3.44Å; F90-G94 VanDerWaalsContact O-CA 3.26Å; F90-G94 WeakPolarHBondContact O-CA 3.39Å; F90-G94 PolarHBondContact O-N 3.01Å |
| 95 | E | 94.1 | Very high | 93 | Very high | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -135.6 | 152.1 | -178.9 | 56 | 174 | -173.5 | 0 | 0 | 111.6 | N93 L97 | N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 HydrophobicContact CB-CG 3.94Å; E95-L97 HydrophobicContact CG-CD1 4.35Å; E95-L97 HydrophobicContact CG-CD2 4.23Å; E95-L97 HydrophobicContact CG-CG 4.04Å; E95-L97 PolarHBondContact O-N 3.26Å |
| 96 | L | 95.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 66.1 Ų | 66.1 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | trans | -83.9 | 102.5 | 179.8 | 178.4 | 62.5 | 0 | 0 | 0 | 110.2 | F90 L98 L108 L120 A123 V124 R127 | F90-L96 HydrophobicContact CD2-CB 4.46Å; L96-L98 HydrophobicContact CD1-CD1 3.94Å; L96-L98 HydrophobicContact CD1-CD2 3.92Å; L96-L98 HydrophobicContact CD1-CG 3.77Å; L96-L98 HydrophobicContact CD2-CD1 4.16Å; L96-L98 HydrophobicContact CG-CD1 4.08Å; L96-L98 HydrophobicContact CG-CG 4.05Å; L96-L108 HydrophobicContact CD1-CD2 4.1Å; L96-L120 HydrophobicContact CD1-CD1 3.77Å; L96-A123 HydrophobicContact CB-CB 4.17Å; L96-A123 HydrophobicContact CD2-CB 4.2Å; L96-V124 HydrophobicContact CD1-CG2 4.18Å; L96-V124 HydrophobicContact CD2-CB 4.29Å; L96-V124 HydrophobicContact CD2-CG2 3.68Å; L96-R127 HydrophobicContact CD2-CB 4.36Å | ||
| 97 | L | 93.2 | Very high | 92.7 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | trans | -109.3 | 113.7 | 175.1 | -58.9 | 179 | 0 | 0 | 0 | 110.4 | E95 | E95-L97 HydrophobicContact CG-CD1 4.35Å; E95-L97 HydrophobicContact CG-CD2 4.23Å; E95-L97 HydrophobicContact CG-CG 4.04Å; E95-L97 PolarHBondContact O-N 3.26Å | ||
| 98 | L | 93.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | trans | -121.3 | 146.1 | -179.9 | -61.3 | 176.5 | 0 | 0 | 0 | 110.5 | H86 L96 F102 L108 | H86-L98 HydrophobicContact CB-CD2 4.07Å; H86-L98 WeakPolarHBondContact ND1-CD2 3.47Å; L96-L98 HydrophobicContact CD1-CD1 3.94Å; L96-L98 HydrophobicContact CD1-CD2 3.92Å; L96-L98 HydrophobicContact CD1-CG 3.77Å; L96-L98 HydrophobicContact CD2-CD1 4.16Å; L96-L98 HydrophobicContact CG-CD1 4.08Å; L96-L98 HydrophobicContact CG-CG 4.05Å; L98-F102 HydrophobicContact CB-CB 4.09Å; L98-F102 HydrophobicContact CB-CD1 4.47Å; L98-F102 HydrophobicContact CB-CG 4.2Å; L98-F102 HydrophobicContact CD1-CD1 3.65Å; L98-F102 HydrophobicContact CD1-CE1 3.95Å; L98-F102 HydrophobicContact CD1-CG 4.22Å; L98-F102 HydrophobicContact CD2-CD1 4.39Å; L98-F102 HydrophobicContact CD2-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CE1 4.33Å; L98-F102 HydrophobicContact CD2-CE2 4.47Å; L98-F102 HydrophobicContact CD2-CG 4.45Å; L98-F102 HydrophobicContact CD2-CZ 4.37Å; L98-F102 HydrophobicContact CG-CD1 4.39Å; L98-L108 HydrophobicContact CD1-CD2 4.02Å; L98-L108 HydrophobicContact CD2-CD2 3.69Å; L98-L108 HydrophobicContact CG-CD2 4.47Å | ||
| 99 | P | 90.1 | Very high | 92.6 | Very high | 76 Ų | 76 | 69 Ų | 69 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | trans | -56.7 | 153 | 173.1 | -23.2 | 33.3 | 0 | 0 | 0 | 112.4 | G101 F102 | P99-G101 PolarHBondContact O-N 2.96Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3.24Å | ||
| 100 | E | 78.4 | Confident | 92.6 | Very high | 204 Ų | 204 | 72.4 Ų | 72.4 | 95% | 0.953 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 132 | 171.5 | -169.3 | 179.2 | 176.4 | 0 | 0 | 110.2 | F102 | E100-F102 VanDerWaalsContact C-N 3.35Å; E100-F102 PolarHBondContact O-N 3.18Å |
| 101 | G | 77.6 | Confident | 92.6 | Very high | 55 Ų | 55 | 72.7 Ų | 72.7 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 14.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P99 R103 | P99-G101 PolarHBondContact O-N 2.96Å; G101-R103 WeakPolarHBondContact O-CG 3.39Å; G101-R103 PolarHBondContact O-N 2.84Å |
| 102 | F | 88.9 | Confident | 92.6 | Very high | 23 Ų | 23 | 72.7 Ų | 72.7 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | trans | -55.3 | 125.4 | 173.1 | -176.4 | -95.9 | 0 | 0 | 0 | 112 | L83 H86 L98 P99 E100 E104 N105 L108 | L83-F102 HydrophobicContact CD2-CE2 4.47Å; L83-F102 HydrophobicContact CD2-CZ 4.06Å; H86-F102 AromaticContact CD2-CE2 3.94Å; H86-F102 AromaticContact NE2-CE2 3.6Å; L98-F102 HydrophobicContact CB-CB 4.09Å; L98-F102 HydrophobicContact CB-CD1 4.47Å; L98-F102 HydrophobicContact CB-CG 4.2Å; L98-F102 HydrophobicContact CD1-CD1 3.65Å; L98-F102 HydrophobicContact CD1-CE1 3.95Å; L98-F102 HydrophobicContact CD1-CG 4.22Å; L98-F102 HydrophobicContact CD2-CD1 4.39Å; L98-F102 HydrophobicContact CD2-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CE1 4.33Å; L98-F102 HydrophobicContact CD2-CE2 4.47Å; L98-F102 HydrophobicContact CD2-CG 4.45Å; L98-F102 HydrophobicContact CD2-CZ 4.37Å; L98-F102 HydrophobicContact CG-CD1 4.39Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3.24Å; E100-F102 VanDerWaalsContact C-N 3.35Å; E100-F102 PolarHBondContact O-N 3.18Å; F102-E104 VanDerWaalsContact CE1-C 3.42Å; F102-E104 HydrophobicContact CE1-CB 4.05Å; F102-E104 HydrophobicContact CE2-CB 4.2Å; F102-E104 HydrophobicContact CZ-CB 3.69Å; F102-N105 PolarHBondContact O-ND2 3.16Å; F102-L108 HydrophobicContact CE1-CB 4.28Å; F102-L108 HydrophobicContact CE1-CD2 4.09Å; F102-L108 HydrophobicContact CZ-CB 4.25Å; F102-L108 HydrophobicContact CZ-CD2 4.16Å | ||
| 103 | R | 86.7 | Confident | 92.7 | Very high | 226 Ų | 226 | 71.6 Ų | 71.6 | 85% | 0.853 | 37% | 0.369 | S | S | * | . | trans | -111 | -8.5 | -171.8 | -54 | -166.7 | 178.8 | 178.6 | -1.4 | 114.7 | G101 N105 | G101-R103 WeakPolarHBondContact O-CG 3.39Å; G101-R103 PolarHBondContact O-N 2.84Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.2Å | ||
| 104 | E | 93.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | -95.4 | 31.6 | -170.7 | -63.6 | 173.7 | 106.9 | 0 | 0 | 112.1 | L83 F102 Q106 L107 L108 | L83-E104 HydrophobicContact CD2-CB 4.17Å; F102-E104 VanDerWaalsContact CE1-C 3.42Å; F102-E104 HydrophobicContact CE1-CB 4.05Å; F102-E104 HydrophobicContact CE2-CB 4.2Å; F102-E104 HydrophobicContact CZ-CB 3.69Å; E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 2.98Å; E104-L107 HydrophobicContact CB-CB 4.39Å; E104-L107 HydrophobicContact CB-CD1 4.21Å; E104-L107 HydrophobicContact CG-CD1 4.2Å; E104-L107 PolarHBondContact O-N 3.24Å; E104-L107 VanDerWaalsContact O-N 3.11Å; E104-L108 PolarHBondContact O-N 3.3Å | ||
| 105 | N | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.5 | -38.9 | -176.4 | -66.9 | -79.2 | 0 | 0 | 0 | 112.6 | F102 R103 A109 V124 R127 W128 | F102-N105 PolarHBondContact O-ND2 3.16Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.2Å; N105-A109 WeakPolarHBondContact O-CB 3.2Å; N105-A109 PolarHBondContact O-N 2.91Å; N105-V124 HydrophobicContact CB-CG1 4.34Å; N105-V124 VanDerWaalsContact O-CG1 3.31Å; N105-V124 WeakPolarHBondContact O-CG1 3.49Å; N105-R127 PolarHBondContact OD1-NH1 2.95Å; N105-W128 HydrophobicContact CB-CD2 4.16Å; N105-W128 HydrophobicContact CB-CE3 3.46Å; N105-W128 VanDerWaalsContact CB-CE3 3.46Å; N105-W128 HydrophobicContact CB-CZ3 3.89Å; N105-W128 VanDerWaalsContact ND2-CE3 3.3Å; N105-W128 VanDerWaalsContact ND2-CZ3 3.32Å; N105-W128 WeakPolarHBondContact ND2-CZ3 3.14Å |
| 106 | Q | 92.6 | Very high | 93.2 | Very high | 136 Ų | 136 | 69.5 Ų | 69.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 178 | -69.1 | -178.4 | -17.9 | 0 | 0 | 112.3 | E104 A109 Q110 | E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 2.98Å; Q106-A109 PolarHBondContact O-N 3.23Å; Q106-Q110 WeakPolarHBondContact O-CG 2.89Å; Q106-Q110 PolarHBondContact O-N 3.41Å; Q106-Q110 VanDerWaalsContact O-N 3.17Å |
| 107 | L | 96.3 | Very high | 93.3 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.9 | -59.9 | 175.3 | 0 | 0 | 0 | 110.5 | L83 E104 A109 Q110 E111 | L83-L107 HydrophobicContact CD1-CB 3.46Å; L83-L107 VanDerWaalsContact CD1-CB 3.46Å; L83-L107 HydrophobicContact CD1-CD1 4.47Å; E104-L107 HydrophobicContact CB-CB 4.39Å; E104-L107 HydrophobicContact CB-CD1 4.21Å; E104-L107 HydrophobicContact CG-CD1 4.2Å; E104-L107 PolarHBondContact O-N 3.24Å; E104-L107 VanDerWaalsContact O-N 3.11Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.5Å; L107-Q110 WeakPolarHBondContact O-CB 3.38Å; L107-Q110 PolarHBondContact O-N 3.37Å; L107-Q110 VanDerWaalsContact O-N 3.1Å; L107-E111 PolarHBondContact O-N 3.42Å |
| 108 | L | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 175.8 | -176.8 | 60.9 | 0 | 0 | 0 | 112.4 | H86 V87 L96 L98 F102 E104 Q110 E111 A112 V124 | H86-L108 HydrophobicContact CB-CD1 3.82Å; H86-L108 HydrophobicContact CB-CD2 4.19Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å; L96-L108 HydrophobicContact CD1-CD2 4.1Å; L98-L108 HydrophobicContact CD1-CD2 4.02Å; L98-L108 HydrophobicContact CD2-CD2 3.69Å; L98-L108 HydrophobicContact CG-CD2 4.47Å; F102-L108 HydrophobicContact CE1-CB 4.28Å; F102-L108 HydrophobicContact CE1-CD2 4.09Å; F102-L108 HydrophobicContact CZ-CB 4.25Å; F102-L108 HydrophobicContact CZ-CD2 4.16Å; E104-L108 PolarHBondContact O-N 3.3Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-E111 PolarHBondContact O-N 2.58Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.99Å; L108-V124 HydrophobicContact CD2-CG2 3.95Å; L108-V124 HydrophobicContact CG-CG2 4.06Å |
| 109 | A | 96.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 73.7 Ų | 73.7 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N105 Q106 L107 A112 D113 V124 | N105-A109 WeakPolarHBondContact O-CB 3.2Å; N105-A109 PolarHBondContact O-N 2.91Å; Q106-A109 PolarHBondContact O-N 3.23Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.5Å; A109-A112 PolarHBondContact O-N 3.22Å; A109-D113 PolarHBondContact O-N 3.3Å; A109-V124 HydrophobicContact CB-CG1 3.96Å |
| 110 | Q | 97.3 | Very high | 93.8 | Very high | 113 Ų | 113 | 70 Ų | 70 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.4 | -69.2 | 177.6 | -1.2 | 0 | 0 | 112.1 | Q106 L107 L108 D113 F114 | Q106-Q110 WeakPolarHBondContact O-CG 2.89Å; Q106-Q110 PolarHBondContact O-N 3.41Å; Q106-Q110 VanDerWaalsContact O-N 3.17Å; L107-Q110 WeakPolarHBondContact O-CB 3.38Å; L107-Q110 PolarHBondContact O-N 3.37Å; L107-Q110 VanDerWaalsContact O-N 3.1Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-D113 PolarHBondContact O-N 2.95Å; Q110-F114 WeakPolarHBondContact O-CB 3.26Å; Q110-F114 PolarHBondContact O-N 3.39Å |
| 111 | E | 98.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.4 | -64.1 | -47.9 | 129.9 | 0 | 0 | 111.5 | R79 L83 V87 L107 L108 D113 F114 F115 | R79-E111 IonicContact CZ-OE1 3.42Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.43Å; R79-E111 PolarHBondContact NE-OE1 3.34Å; R79-E111 IonicContact NE-OE2 2.92Å; R79-E111 PolarHBondContact NE-OE2 3.01Å; R79-E111 IonicContact NH2-OE1 2.69Å; R79-E111 PolarHBondContact NH2-OE1 3.31Å; R79-E111 IonicContact NH2-OE2 3.5Å; R79-E111 PolarHBondContact NH2-OE2 3.26Å; L83-E111 HydrophobicContact CB-CG 3.98Å; L83-E111 HydrophobicContact CD1-CG 4.09Å; V87-E111 HydrophobicContact CG2-CB 4.25Å; L107-E111 PolarHBondContact O-N 3.42Å; L108-E111 PolarHBondContact O-N 2.58Å; E111-D113 VanDerWaalsContact C-N 3.27Å; E111-D113 PolarHBondContact O-N 3.03Å; E111-F114 PolarHBondContact O-N 2.96Å; E111-F115 HydrophobicContact CB-CD2 4.35Å; E111-F115 HydrophobicContact CB-CE2 4.29Å; E111-F115 WeakPolarHBondContact O-CD2 3.31Å; E111-F115 PolarHBondContact O-N 3.45Å |
| 112 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L108 A109 Q116 L117 L120 | L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.99Å; A109-A112 PolarHBondContact O-N 3.22Å; A112-Q116 PolarHBondContact O-N 3.2Å; A112-L117 PolarHBondContact O-N 2.92Å; A112-L120 HydrophobicContact CB-CB 4.1Å; A112-L120 HydrophobicContact CB-CD2 3.76Å; A112-L120 HydrophobicContact CB-CG 3.64Å |
| 113 | D | 97.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 175.8 | -70.6 | -18 | 0 | 0 | 0 | 111.4 | A109 Q110 E111 F115 Q116 S121 | A109-D113 PolarHBondContact O-N 3.3Å; Q110-D113 PolarHBondContact O-N 2.95Å; E111-D113 VanDerWaalsContact C-N 3.27Å; E111-D113 PolarHBondContact O-N 3.03Å; D113-F115 PolarHBondContact O-N 2.97Å; D113-Q116 PolarHBondContact O-N 2.92Å; D113-Q116 VanDerWaalsContact O-N 3.08Å; D113-S121 WeakPolarHBondContact OD1-CB 3.32Å; D113-S121 PolarHBondContact OD1-OG 3.03Å |
| 114 | F | 97.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 175.5 | 174.8 | -91.3 | 0 | 0 | 0 | 112 | F56 I77 R79 Q110 E111 Q116 | F56-F114 HydrophobicContact CD1-CE1 4.46Å; F56-F114 HydrophobicContact CE1-CE1 4.38Å; F56-F114 HydrophobicContact CE2-CZ 4.49Å; F56-F114 HydrophobicContact CZ-CZ 4.44Å; I77-F114 HydrophobicContact CG2-CE1 4.13Å; R79-F114 HydrophobicContact CG-CD1 3.62Å; R79-F114 HydrophobicContact CG-CE1 3.35Å; R79-F114 HydrophobicContact CG-CE2 4.28Å; R79-F114 HydrophobicContact CG-CG 4.22Å; R79-F114 HydrophobicContact CG-CZ 3.71Å; Q110-F114 WeakPolarHBondContact O-CB 3.26Å; Q110-F114 PolarHBondContact O-N 3.39Å; E111-F114 PolarHBondContact O-N 2.96Å; F114-Q116 PolarHBondContact O-N 3.23Å; F114-Q116 VanDerWaalsContact O-N 3.16Å |
| 115 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 1.4 | 178.4 | -68.6 | -65.8 | 0 | 0 | 0 | 113.5 | F56 L57 I77 R79 F84 V87 E111 D113 L117 | F56-F115 HydrophobicContact CB-CD1 4.49Å; F56-F115 AromaticContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CE1 4.27Å; F56-F115 PolarHBondContact N-O 3.34Å; L57-F115 HydrophobicContact CD1-CD1 4.15Å; L57-F115 HydrophobicContact CD2-CD1 4.18Å; L57-F115 HydrophobicContact CD2-CE1 4.17Å; L57-F115 HydrophobicContact CG-CD1 3.96Å; L57-F115 HydrophobicContact CG-CE1 4.44Å; I77-F115 HydrophobicContact CD1-CE1 4.29Å; I77-F115 HydrophobicContact CG2-CE1 4.03Å; I77-F115 HydrophobicContact CG2-CZ 4.13Å; R79-F115 HydrophobicContact CB-CZ 4.3Å; R79-F115 HydrophobicContact CG-CZ 4.2Å; F84-F115 HydrophobicContact CD2-CD2 4.48Å; F84-F115 HydrophobicContact CD2-CE1 4.17Å; F84-F115 AromaticContact CD2-CE2 3.65Å; F84-F115 HydrophobicContact CD2-CE2 3.65Å; F84-F115 AromaticContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CD2-CZ 3.45Å; F84-F115 VanDerWaalsContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CE2-CD1 4.49Å; F84-F115 AromaticContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE2 4.06Å; F84-F115 AromaticContact CE2-CZ 3.63Å; F84-F115 HydrophobicContact CE2-CZ 3.63Å; V87-F115 HydrophobicContact CG1-CD2 3.95Å; V87-F115 HydrophobicContact CG1-CG 4.32Å; V87-F115 HydrophobicContact CG2-CD2 4.09Å; V87-F115 HydrophobicContact CG2-CE2 4.36Å; E111-F115 HydrophobicContact CB-CD2 4.35Å; E111-F115 HydrophobicContact CB-CE2 4.29Å; E111-F115 WeakPolarHBondContact O-CD2 3.31Å; E111-F115 PolarHBondContact O-N 3.45Å; D113-F115 PolarHBondContact O-N 2.97Å; F115-L117 HydrophobicContact CB-CD1 3.93Å; F115-L117 HydrophobicContact CB-CG 4.11Å; F115-L117 PolarHBondContact O-N 3.34Å |
| 116 | Q | 97.6 | Very high | 96 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 32.5 | -179.5 | -58.2 | 175.7 | -16.8 | 0 | 0 | 112.7 | D54 A112 D113 F114 K118 | D54-Q116 PolarHBondContact O-OE1 3.06Å; A112-Q116 PolarHBondContact O-N 3.2Å; D113-Q116 PolarHBondContact O-N 2.92Å; D113-Q116 VanDerWaalsContact O-N 3.08Å; F114-Q116 PolarHBondContact O-N 3.23Å; F114-Q116 VanDerWaalsContact O-N 3.16Å; Q116-K118 PolarHBondContact O-N 3.07Å |
| 117 | L | 97.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -95.1 | 76.8 | 179.4 | -68.1 | 169.6 | 0 | 0 | 0 | 110 | Y52 V87 L91 A112 F115 V119 L120 S121 | Y52-L117 HydrophobicContact CD2-CD2 4.12Å; Y52-L117 HydrophobicContact CG-CD2 3.94Å; V87-L117 HydrophobicContact CG1-CD1 3.55Å; L91-L117 HydrophobicContact CD2-CD1 3.98Å; L91-L117 HydrophobicContact CD2-CD2 3.83Å; L91-L117 HydrophobicContact CG-CD1 4.42Å; A112-L117 PolarHBondContact O-N 2.92Å; F115-L117 HydrophobicContact CB-CD1 3.93Å; F115-L117 HydrophobicContact CB-CG 4.11Å; F115-L117 PolarHBondContact O-N 3.34Å; L117-V119 VanDerWaalsContact C-N 3.27Å; L117-V119 PolarHBondContact O-N 2.76Å; L117-L120 HydrophobicContact CB-CB 3.87Å; L117-L120 HydrophobicContact CB-CD2 4.44Å; L117-L120 HydrophobicContact CD1-CD2 4.16Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-S121 PolarHBondContact O-N 2.86Å | ||
| 118 | K | 94.6 | Very high | 95.4 | Very high | 155 Ų | 155 | 50.3 Ų | 50.3 | 67% | 0.674 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -53 | -43.6 | -177.5 | -172 | 176.4 | 180 | -178.6 | 0 | 113 | Q116 L120 S121 D122 | Q116-K118 PolarHBondContact O-N 3.07Å; K118-L120 VanDerWaalsContact C-N 3.28Å; K118-L120 PolarHBondContact O-N 3.35Å; K118-S121 WeakPolarHBondContact O-CB 3.33Å; K118-S121 PolarHBondContact O-N 3.18Å; K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 VanDerWaalsContact O-CG 3.29Å; K118-D122 PolarHBondContact O-N 2.97Å |
| 119 | V | 95.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 56.6 Ų | 56.6 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 179.2 | -171 | 0 | 0 | 0 | 0 | 111.7 | Y52 F90 L117 A123 | Y52-V119 HydrophobicContact CD1-CG2 4.5Å; Y52-V119 HydrophobicContact CE1-CB 4.33Å; Y52-V119 HydrophobicContact CE1-CG2 4.23Å; F90-V119 HydrophobicContact CZ-CB 4.07Å; F90-V119 HydrophobicContact CZ-CG1 3.89Å; L117-V119 VanDerWaalsContact C-N 3.27Å; L117-V119 PolarHBondContact O-N 2.76Å; V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.03Å |
| 120 | L | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 175.4 | 175.7 | 58.9 | 0 | 0 | 0 | 111 | V87 F90 L96 A112 L117 K118 D122 A123 V124 | V87-L120 HydrophobicContact CB-CD2 4.38Å; V87-L120 HydrophobicContact CG1-CD2 4.3Å; V87-L120 HydrophobicContact CG2-CD2 4.07Å; F90-L120 HydrophobicContact CB-CD1 4.02Å; F90-L120 HydrophobicContact CB-CD2 4.34Å; F90-L120 HydrophobicContact CD1-CB 3.84Å; F90-L120 HydrophobicContact CD1-CD1 4.28Å; F90-L120 HydrophobicContact CD1-CD2 4.29Å; F90-L120 HydrophobicContact CD1-CG 4.35Å; F90-L120 HydrophobicContact CD2-CB 4.36Å; F90-L120 HydrophobicContact CD2-CD1 3.64Å; F90-L120 HydrophobicContact CE1-CB 3.74Å; F90-L120 HydrophobicContact CE2-CB 4.27Å; F90-L120 HydrophobicContact CE2-CD1 4.16Å; F90-L120 HydrophobicContact CG-CB 4.16Å; F90-L120 HydrophobicContact CG-CD1 3.71Å; F90-L120 HydrophobicContact CG-CD2 4.31Å; F90-L120 HydrophobicContact CG-CG 4.26Å; F90-L120 HydrophobicContact CZ-CB 3.97Å; L96-L120 HydrophobicContact CD1-CD1 3.77Å; A112-L120 HydrophobicContact CB-CB 4.1Å; A112-L120 HydrophobicContact CB-CD2 3.76Å; A112-L120 HydrophobicContact CB-CG 3.64Å; L117-L120 HydrophobicContact CB-CB 3.87Å; L117-L120 HydrophobicContact CB-CD2 4.44Å; L117-L120 HydrophobicContact CD1-CD2 4.16Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.31Å; K118-L120 VanDerWaalsContact C-N 3.28Å; K118-L120 PolarHBondContact O-N 3.35Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.42Å; L120-A123 PolarHBondContact O-N 3.37Å; L120-A123 VanDerWaalsContact O-N 3.17Å; L120-V124 HydrophobicContact CD1-CG2 4.02Å; L120-V124 HydrophobicContact CG-CG2 4.45Å; L120-V124 WeakPolarHBondContact O-CG2 3.37Å; L120-V124 PolarHBondContact O-N 2.9Å |
| 121 | S | 96.1 | Very high | 93 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 177 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | D113 L117 K118 V124 K125 | D113-S121 WeakPolarHBondContact OD1-CB 3.32Å; D113-S121 PolarHBondContact OD1-OG 3.03Å; L117-S121 PolarHBondContact O-N 2.86Å; K118-S121 WeakPolarHBondContact O-CB 3.33Å; K118-S121 PolarHBondContact O-N 3.18Å; S121-V124 PolarHBondContact O-N 2.89Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.4Å; S121-K125 PolarHBondContact OG-NZ 3.03Å |
| 122 | D | 95.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.6 | -66.9 | -19.6 | 0 | 0 | 0 | 111.7 | K118 L120 K125 S126 | K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 VanDerWaalsContact O-CG 3.29Å; K118-D122 PolarHBondContact O-N 2.97Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.42Å; D122-K125 PolarHBondContact O-N 2.89Å; D122-S126 WeakPolarHBondContact O-CB 3.49Å; D122-S126 PolarHBondContact O-N 3.42Å |
| 123 | A | 95.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 69 Ų | 69 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L96 V119 L120 R127 | L96-A123 HydrophobicContact CB-CB 4.17Å; L96-A123 HydrophobicContact CD2-CB 4.2Å; V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.03Å; L120-A123 PolarHBondContact O-N 3.37Å; L120-A123 VanDerWaalsContact O-N 3.17Å; A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.33Å |
| 124 | V | 95.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 177 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | L96 N105 L108 A109 L120 S121 R127 W128 | L96-V124 HydrophobicContact CD1-CG2 4.18Å; L96-V124 HydrophobicContact CD2-CB 4.29Å; L96-V124 HydrophobicContact CD2-CG2 3.68Å; N105-V124 HydrophobicContact CB-CG1 4.34Å; N105-V124 VanDerWaalsContact O-CG1 3.31Å; N105-V124 WeakPolarHBondContact O-CG1 3.49Å; L108-V124 HydrophobicContact CD2-CG2 3.95Å; L108-V124 HydrophobicContact CG-CG2 4.06Å; A109-V124 HydrophobicContact CB-CG1 3.96Å; L120-V124 HydrophobicContact CD1-CG2 4.02Å; L120-V124 HydrophobicContact CG-CG2 4.45Å; L120-V124 WeakPolarHBondContact O-CG2 3.37Å; L120-V124 PolarHBondContact O-N 2.9Å; S121-V124 PolarHBondContact O-N 2.89Å; V124-R127 PolarHBondContact O-N 3.17Å; V124-W128 WeakPolarHBondContact O-CB 3.28Å; V124-W128 PolarHBondContact O-N 3.03Å |
| 125 | K | 91.8 | Very high | 87.1 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 176.7 | -72.2 | 168.4 | -174.2 | 157.2 | 0 | 111.9 | S121 D122 R127 W128 E129 | S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.4Å; S121-K125 PolarHBondContact OG-NZ 3.03Å; D122-K125 PolarHBondContact O-N 2.89Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.19Å; K125-W128 PolarHBondContact O-N 2.92Å; K125-E129 WeakPolarHBondContact O-CG 3.35Å; K125-E129 PolarHBondContact O-N 3.36Å |
| 126 | S | 91.9 | Very high | 85.3 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | D122 E129 K130 | D122-S126 WeakPolarHBondContact O-CB 3.49Å; D122-S126 PolarHBondContact O-N 3.42Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-K130 WeakPolarHBondContact O-CB 3.48Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 3.48Å |
| 127 | R | 89.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 21% | 0.211 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 174.1 | -179.9 | -174.4 | -178.4 | -72.3 | -13.5 | 110.8 | L96 N105 A123 V124 K125 E129 K130 E131 | L96-R127 HydrophobicContact CD2-CB 4.36Å; N105-R127 PolarHBondContact OD1-NH1 2.95Å; A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.33Å; V124-R127 PolarHBondContact O-N 3.17Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.19Å; R127-E129 PolarHBondContact O-N 2.91Å; R127-K130 PolarHBondContact O-N 3.07Å; R127-E131 IonicContact CZ-OE1 2.77Å; R127-E131 IonicContact CZ-OE2 2.9Å; R127-E131 IonicContact NE-OE1 3.43Å; R127-E131 IonicContact NH1-OE1 2.62Å; R127-E131 PolarHBondContact NH1-OE1 2.67Å; R127-E131 IonicContact NH1-OE2 3.93Å; R127-E131 PolarHBondContact NH1-OE2 3.39Å; R127-E131 IonicContact NH2-OE1 2.62Å; R127-E131 PolarHBondContact NH2-OE1 2.9Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.18Å |
| 128 | W | 85.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 179.4 | -177.5 | -102.8 | 0 | 0 | 0 | 112 | N105 V124 K125 K130 E131 Q132 | N105-W128 HydrophobicContact CB-CD2 4.16Å; N105-W128 HydrophobicContact CB-CE3 3.46Å; N105-W128 VanDerWaalsContact CB-CE3 3.46Å; N105-W128 HydrophobicContact CB-CZ3 3.89Å; N105-W128 VanDerWaalsContact ND2-CE3 3.3Å; N105-W128 VanDerWaalsContact ND2-CZ3 3.32Å; N105-W128 WeakPolarHBondContact ND2-CZ3 3.14Å; V124-W128 WeakPolarHBondContact O-CB 3.28Å; V124-W128 PolarHBondContact O-N 3.03Å; K125-W128 PolarHBondContact O-N 2.92Å; W128-K130 PolarHBondContact O-N 3.49Å; W128-E131 PolarHBondContact O-N 3.03Å; W128-Q132 WeakPolarHBondContact O-CB 3.4Å; W128-Q132 VanDerWaalsContact O-CG 3.22Å; W128-Q132 WeakPolarHBondContact O-CG 3.24Å; W128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | E | 84.6 | Confident | 81 | Confident | 133 Ų | 133 | 71.4 Ų | 71.4 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.4 | -73.9 | 173.9 | 172.5 | 0 | 0 | 112.5 | K125 S126 R127 Q132 L133 | K125-E129 WeakPolarHBondContact O-CG 3.35Å; K125-E129 PolarHBondContact O-N 3.36Å; S126-E129 PolarHBondContact O-N 3.34Å; R127-E129 PolarHBondContact O-N 2.91Å; E129-Q132 PolarHBondContact O-N 2.94Å; E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 3.43Å |
| 130 | K | 82.6 | Confident | 80.4 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 174.7 | -73.7 | 173.4 | -174.7 | 177.4 | 0 | 112.1 | S126 R127 W128 Q132 L133 A134 | S126-K130 WeakPolarHBondContact O-CB 3.48Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 3.48Å; R127-K130 PolarHBondContact O-N 3.07Å; W128-K130 PolarHBondContact O-N 3.49Å; K130-Q132 VanDerWaalsContact C-N 3.33Å; K130-L133 PolarHBondContact O-N 3.49Å; K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 2.89Å |
| 131 | E | 75.2 | Confident | 79.8 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.9 | -73.4 | -178.5 | 151.3 | 0 | 0 | 111.2 | R127 W128 S135 | R127-E131 IonicContact CZ-OE1 2.77Å; R127-E131 IonicContact CZ-OE2 2.9Å; R127-E131 IonicContact NE-OE1 3.43Å; R127-E131 IonicContact NH1-OE1 2.62Å; R127-E131 PolarHBondContact NH1-OE1 2.67Å; R127-E131 IonicContact NH1-OE2 3.93Å; R127-E131 PolarHBondContact NH1-OE2 3.39Å; R127-E131 IonicContact NH2-OE1 2.62Å; R127-E131 PolarHBondContact NH2-OE1 2.9Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.18Å; W128-E131 PolarHBondContact O-N 3.03Å; E131-S135 VanDerWaalsContact O-CB 3.31Å; E131-S135 WeakPolarHBondContact O-CB 3.43Å; E131-S135 PolarHBondContact O-N 2.88Å |
| 132 | Q | 72.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 175.8 | -67.7 | -66.7 | 94.3 | 0 | 0 | 112.1 | W128 E129 K130 R136 | W128-Q132 WeakPolarHBondContact O-CB 3.4Å; W128-Q132 VanDerWaalsContact O-CG 3.22Å; W128-Q132 WeakPolarHBondContact O-CG 3.24Å; W128-Q132 PolarHBondContact O-N 3.43Å; E129-Q132 PolarHBondContact O-N 2.94Å; K130-Q132 VanDerWaalsContact C-N 3.33Å; Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.2Å |
| 133 | L | 68.2 | Low | 78.8 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.2 | -45 | 176.9 | -172.8 | 65.2 | 0 | 0 | 0 | 111.5 | E129 K130 S135 R136 E137 | E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 3.43Å; K130-L133 PolarHBondContact O-N 3.49Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.18Å; L133-R136 CarbonylContact O-C 3.52Å; L133-R136 WeakPolarHBondContact O-CA 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.19Å; L133-R136 PolarHBondContact O-N 3.41Å; L133-E137 WeakPolarHBondContact O-CG 3.31Å; L133-E137 PolarHBondContact O-N 2.9Å |
| 134 | A | 64.3 | Low | 77.9 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K130 T138 | K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 2.89Å; A134-T138 PolarHBondContact O-OG1 2.89Å; A134-T138 VanDerWaalsContact O-OG1 3.12Å |
| 135 | S | 61.3 | Low | 76.8 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -57 | 166.3 | -170.7 | 0 | 0 | 0 | 0 | 109 | E131 L133 E137 T138 P160 | E131-S135 VanDerWaalsContact O-CB 3.31Å; E131-S135 WeakPolarHBondContact O-CB 3.43Å; E131-S135 PolarHBondContact O-N 2.88Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.18Å; S135-E137 PolarHBondContact O-N 3.04Å; S135-T138 PolarHBondContact O-N 3.23Å; S135-T138 PolarHBondContact O-OG1 3.27Å; S135-P160 WeakPolarHBondContact O-CB 3.34Å; S135-P160 VanDerWaalsContact O-CG 3.31Å; S135-P160 WeakPolarHBondContact O-CG 3.42Å; S135-P160 WeakPolarHBondContact OG-CB 3.32Å; S135-P160 WeakPolarHBondContact OG-CG 3.5Å |
| 136 | R | 60.2 | Low | 75.8 | Confident | 192 Ų | 192 | 64.3 Ų | 64.3 | 73% | 0.725 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.9 | -29.4 | 179.8 | -71.5 | 169.3 | 112 | 152 | 5.1 | 115.7 | Q132 L133 T138 | Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.2Å; L133-R136 CarbonylContact O-C 3.52Å; L133-R136 WeakPolarHBondContact O-CA 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.19Å; L133-R136 PolarHBondContact O-N 3.41Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.35Å |
| 137 | E | 61.4 | Low | 74.5 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.5 | -20.9 | 176.1 | -74.1 | 177.8 | 179.7 | 0 | 0 | 113.3 | L133 S135 T139 | L133-E137 WeakPolarHBondContact O-CG 3.31Å; L133-E137 PolarHBondContact O-N 2.9Å; S135-E137 PolarHBondContact O-N 3.04Å; E137-T139 PolarHBondContact O-N 2.93Å |
| 138 | T | 60.6 | Low | 73.3 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | trans | -81.7 | 78.1 | 176.6 | 11.9 | 0 | 0 | 0 | 0 | 111.8 | A134 S135 R136 P160 I163 N190 | A134-T138 PolarHBondContact O-OG1 2.89Å; A134-T138 VanDerWaalsContact O-OG1 3.12Å; S135-T138 PolarHBondContact O-N 3.23Å; S135-T138 PolarHBondContact O-OG1 3.27Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.35Å; T138-P160 WeakPolarHBondContact O-CA 3.22Å; T138-P160 WeakPolarHBondContact O-CB 3.38Å; T138-I163 HydrophobicContact CG2-CG2 3.96Å; T138-N190 HydrophobicContact CG2-CB 4.41Å; T138-N190 WeakPolarHBondContact CG2-OD1 3.31Å | ||
| 139 | T | 76.6 | Confident | 72 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | trans | -87.6 | -8.5 | 170.2 | 57.9 | 0 | 0 | 0 | 0 | 113 | E137 F156 C157 | E137-T139 PolarHBondContact O-N 2.93Å; T139-F156 WeakPolarHBondContact O-CA 3.3Å; T139-C157 CarbonylContact C-O 3.58Å; T139-C157 WeakPolarHBondContact CA-O 3.36Å; T139-C157 CarbonylContact O-C 3.56Å; T139-C157 PolarHBondContact O-N 3.38Å; T139-C157 VanDerWaalsContact O-O 3.06Å | ||
| 140 | F | 84.4 | Confident | 70.8 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157.4 | -179.9 | 75.2 | -82 | 0 | 0 | 0 | 113.4 | E142 I155 F156 N190 | F140-E142 HydrophobicContact CD2-CB 4.21Å; F140-E142 HydrophobicContact CE2-CB 4.1Å; F140-I155 CarbonylContact C-O 3.55Å; F140-I155 WeakPolarHBondContact CA-O 3.47Å; F140-I155 WeakPolarHBondContact CB-O 3.43Å; F140-F156 HydrophobicContact CB-CD1 3.54Å; F140-F156 HydrophobicContact CB-CE1 3.77Å; F140-F156 HydrophobicContact CB-CG 4.27Å; F140-F156 HydrophobicContact CG-CD1 4.44Å; F140-F156 HydrophobicContact CG-CE1 4.23Å; F140-N190 HydrophobicContact CE2-CB 4.23Å; F140-N190 HydrophobicContact CZ-CB 4.29Å |
| 141 | L | 84.2 | Confident | 70 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.2 | 166.5 | 176.8 | 64.8 | 0 | 0 | 0 | 108.2 | I143 R154 I155 I163 I166 K167 I170 I192 | L141-I143 HydrophobicContact CG-CG1 4.43Å; L141-R154 CarbonylContact O-C 3.59Å; L141-R154 WeakPolarHBondContact O-CA 3.3Å; L141-I155 HydrophobicContact CB-CB 4.32Å; L141-I155 HydrophobicContact CD2-CD1 4.39Å; L141-I155 PolarHBondContact N-O 2.91Å; L141-I155 PolarHBondContact O-N 3.29Å; L141-I163 HydrophobicContact CB-CD1 4.34Å; L141-I163 HydrophobicContact CB-CG2 4.13Å; L141-I166 HydrophobicContact CD2-CB 4.36Å; L141-I166 HydrophobicContact CD2-CG2 3.65Å; L141-K167 HydrophobicContact CD1-CB 4.04Å; L141-K167 HydrophobicContact CD1-CD 4.36Å; L141-K167 HydrophobicContact CD1-CG 4Å; L141-K167 HydrophobicContact CD2-CB 4.1Å; L141-I170 HydrophobicContact CD2-CD1 4.18Å; L141-I192 HydrophobicContact CD1-CD1 4.26Å; L141-I192 HydrophobicContact CD1-CG1 4.23Å |
| 142 | E | 86.7 | Confident | 69.9 | Low | 25 Ų | 25 | 61.4 Ų | 61.4 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.6 | 176 | 178.2 | 165.4 | -137.8 | 0 | 0 | 109.9 | F140 T144 L153 R154 N190 I191 I192 | F140-E142 HydrophobicContact CD2-CB 4.21Å; F140-E142 HydrophobicContact CE2-CB 4.1Å; E142-T144 HydrophobicContact CG-CG2 3.37Å; E142-L153 CarbonylContact C-O 3.58Å; E142-L153 WeakPolarHBondContact CA-O 3.35Å; E142-R154 HydrophobicContact CB-CG 4.36Å; E142-R154 HydrophobicContact CG-CG 4.12Å; E142-R154 IonicContact OE1-CZ 2.88Å; E142-R154 VanDerWaalsContact OE1-CZ 3.25Å; E142-R154 IonicContact OE1-NE 2.67Å; E142-R154 PolarHBondContact OE1-NE 3.49Å; E142-R154 IonicContact OE1-NH2 2.96Å; E142-R154 PolarHBondContact OE1-NH2 2.93Å; E142-N190 PolarHBondContact N-O 3.45Å; E142-I191 HydrophobicContact CB-CG1 4.35Å; E142-I191 CarbonylContact O-C 3.55Å; E142-I191 VanDerWaalsContact O-CA 3.25Å; E142-I191 WeakPolarHBondContact O-CA 3.22Å; E142-I192 PolarHBondContact O-N 3.4Å |
| 143 | I | 81.9 | Confident | 70.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.8 | 177.6 | -52.2 | 176.2 | 0 | 0 | 0 | 106.5 | L141 G152 L153 I170 I192 F194 L221 | L141-I143 HydrophobicContact CG-CG1 4.43Å; I143-G152 CarbonylContact O-C 3.28Å; I143-G152 WeakPolarHBondContact O-CA 3.31Å; I143-L153 HydrophobicContact CB-CB 4.14Å; I143-L153 HydrophobicContact CD1-CB 4.35Å; I143-L153 HydrophobicContact CD1-CD2 4.2Å; I143-L153 PolarHBondContact N-O 2.8Å; I143-L153 PolarHBondContact O-N 2.87Å; I143-I170 HydrophobicContact CD1-CD1 3.45Å; I143-I170 VanDerWaalsContact CD1-CD1 3.45Å; I143-I170 HydrophobicContact CD1-CG2 4.35Å; I143-I192 VanDerWaalsContact CA-O 3.31Å; I143-I192 WeakPolarHBondContact CA-O 3.49Å; I143-F194 HydrophobicContact CG2-CD2 4Å; I143-F194 HydrophobicContact CG2-CE2 3.61Å; I143-L221 HydrophobicContact CD1-CD1 4.09Å; I143-L221 HydrophobicContact CG2-CD1 4.2Å |
| 144 | T | 77.5 | Confident | 71.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 158.8 | -167.9 | 46.2 | 0 | 0 | 0 | 0 | 113 | E142 I192 Q193 F194 F197 | E142-T144 HydrophobicContact CG-CG2 3.37Å; T144-I192 PolarHBondContact N-O 2.89Å; T144-Q193 CarbonylContact O-C 3.36Å; T144-Q193 WeakPolarHBondContact O-CA 3.47Å; T144-F194 PolarHBondContact O-N 2.72Å; T144-F197 WeakPolarHBondContact O-CE2 3.45Å |
| 145 | D | 72 | Confident | 72.4 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 151.6 | 171.3 | -170.3 | -122 | 0 | 0 | 0 | 111.6 | H147 D148 F194 Y196 F197 | D145-H147 VanDerWaalsContact OD1-CA 3.25Å; D145-H147 WeakPolarHBondContact OD1-CA 3.39Å; D145-H147 VanDerWaalsContact OD1-CB 3.26Å; D145-H147 WeakPolarHBondContact OD1-CB 3.48Å; D145-H147 PolarHBondContact OD1-N 3.26Å; D145-D148 WeakPolarHBondContact CB-O 3.29Å; D145-D148 PolarHBondContact OD1-N 3.01Å; D145-F194 CarbonylContact C-O 3.48Å; D145-Y196 WeakPolarHBondContact OD2-CA 2.89Å; D145-Y196 PolarHBondContact OD2-N 3.46Å; D145-F197 HydrophobicContact CB-CB 3.84Å; D145-F197 HydrophobicContact CB-CD1 4.23Å; D145-F197 HydrophobicContact CB-CD2 3.12Å; D145-F197 HydrophobicContact CB-CE2 3.54Å; D145-F197 HydrophobicContact CB-CG 3.49Å; D145-F197 VanDerWaalsContact CB-CG 3.49Å; D145-F197 HydrophobicContact CB-CZ 4.29Å; D145-F197 VanDerWaalsContact CG-CD2 3.42Å; D145-F197 WeakPolarHBondContact OD2-CD2 3.4Å; D145-F197 PolarHBondContact OD2-N 3.02Å |
| 146 | S | 69.8 | Low | 73.7 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78 | -28.7 | 175.3 | 85.5 | 0 | 0 | 0 | 0 | 114 | F194 K195 | S146-F194 WeakPolarHBondContact CB-O 3.39Å; S146-F194 PolarHBondContact N-O 3.12Å; S146-K195 PolarHBondContact OG-O 3.37Å |
| 147 | H | 64.8 | Low | 74.9 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 62% | 0.616 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -93.9 | -29.1 | -179.1 | -62.8 | -68 | 0 | 0 | 0 | 113 | D145 K195 Y196 | D145-H147 VanDerWaalsContact OD1-CA 3.25Å; D145-H147 WeakPolarHBondContact OD1-CA 3.39Å; D145-H147 VanDerWaalsContact OD1-CB 3.26Å; D145-H147 WeakPolarHBondContact OD1-CB 3.48Å; D145-H147 PolarHBondContact OD1-N 3.26Å; H147-K195 PolarHBondContact CD2-O 2.94Å; H147-Y196 AromaticContact CD2-CD1 3.67Å; H147-Y196 AromaticContact CD2-CE1 3.79Å; H147-Y196 AromaticContact NE2-CD1 3.71Å; H147-Y196 AromaticContact NE2-CE1 3.32Å; H147-Y196 VanDerWaalsContact NE2-CE1 3.32Å; H147-Y196 WeakPolarHBondContact NE2-CE1 3.32Å |
| 148 | D | 64.9 | Low | 75.7 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | trans | -141.3 | 96.9 | 177.4 | -171.4 | -1.3 | 0 | 0 | 0 | 113.8 | D145 S150 Q151 | D145-D148 WeakPolarHBondContact CB-O 3.29Å; D145-D148 PolarHBondContact OD1-N 3.01Å; D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 VanDerWaalsContact O-N 3.08Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.49Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.21Å; D148-Q151 HydrophobicContact CB-CG 4.29Å; D148-Q151 PolarHBondContact O-N 3.41Å; D148-Q151 VanDerWaalsContact O-N 3.08Å; D148-Q151 WeakPolarHBondContact OD2-CG 3.22Å | ||
| 149 | R | 59.1 | Low | 76.8 | Confident | 179 Ų | 179 | 48.2 Ų | 48.2 | 68% | 0.675 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -10 | 177.7 | -64.5 | -173.3 | -178 | -175.6 | 0.7 | 114.4 | Q151 | R149-Q151 VanDerWaalsContact C-N 3.3Š|
| 150 | S | 59.7 | Low | 77 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -32.1 | 172 | 72.3 | 0 | 0 | 0 | 0 | 111 | D148 G152 H249 S250 | D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 VanDerWaalsContact O-N 3.08Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.49Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.21Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 2.98Å; S150-H249 CarbonylContact C-O 3.44Å; S150-H249 CarbonylContact O-C 3.58Å; S150-H249 VanDerWaalsContact O-C 3.28Å; S150-S250 VanDerWaalsContact O-CA 3.3Å; S150-S250 WeakPolarHBondContact O-CA 3.29Å; S150-S250 VanDerWaalsContact O-CB 3.23Å; S150-S250 WeakPolarHBondContact O-CB 3.48Å |
| 151 | Q | 64.6 | Low | 76.9 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89 | 40.3 | -168.5 | -57.8 | -62.2 | -37.3 | 0 | 0 | 114.7 | D148 R149 F197 | D148-Q151 HydrophobicContact CB-CG 4.29Å; D148-Q151 PolarHBondContact O-N 3.41Å; D148-Q151 VanDerWaalsContact O-N 3.08Å; D148-Q151 WeakPolarHBondContact OD2-CG 3.22Å; R149-Q151 VanDerWaalsContact C-N 3.3Å; Q151-F197 HydrophobicContact CB-CD1 4.34Å; Q151-F197 WeakPolarHBondContact O-CD1 3.15Å; Q151-F197 WeakPolarHBondContact O-CE1 3.45Å |
| 152 | G | 73.9 | Confident | 77 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -104.9 | 170.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | I143 S150 S250 D251 | I143-G152 CarbonylContact O-C 3.28Å; I143-G152 WeakPolarHBondContact O-CA 3.31Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 2.98Å; G152-S250 WeakPolarHBondContact O-CB 3.39Å; G152-D251 PolarHBondContact O-N 2.75Å | ||
| 153 | L | 81.9 | Confident | 77 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.9 | 163.7 | -172 | 55.9 | 0 | 0 | 0 | 110 | E142 I143 I155 L218 L221 K222 D251 L253 | E142-L153 CarbonylContact C-O 3.58Å; E142-L153 WeakPolarHBondContact CA-O 3.35Å; I143-L153 HydrophobicContact CB-CB 4.14Å; I143-L153 HydrophobicContact CD1-CB 4.35Å; I143-L153 HydrophobicContact CD1-CD2 4.2Å; I143-L153 PolarHBondContact N-O 2.8Å; I143-L153 PolarHBondContact O-N 2.87Å; L153-I155 HydrophobicContact CD2-CD1 3.99Å; L153-I155 HydrophobicContact CD2-CG1 4.06Å; L153-I155 HydrophobicContact CG-CD1 4.45Å; L153-I155 HydrophobicContact CG-CG1 4.02Å; L153-L218 HydrophobicContact CB-CD1 3.66Å; L153-L218 HydrophobicContact CD1-CD1 4.49Å; L153-L218 HydrophobicContact CD2-CD1 4.39Å; L153-L218 HydrophobicContact CG-CD1 4.38Å; L153-L221 HydrophobicContact CD2-CB 4.22Å; L153-K222 HydrophobicContact CD1-CG 3.83Å; L153-K222 HydrophobicContact CD2-CG 4.04Å; L153-D251 CarbonylContact C-O 3.44Å; L153-D251 WeakPolarHBondContact CA-O 3.47Å; L153-D251 HydrophobicContact CD1-CB 3.95Å; L153-L253 HydrophobicContact CD1-CD1 4.41Å; L153-L253 HydrophobicContact CD1-CG 4.26Å |
| 154 | R | 87.3 | Confident | 77.1 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125 | 167.9 | -66.8 | 178.9 | 177.2 | 172.2 | -2.2 | 110.4 | L141 E142 F156 D251 A252 L253 | L141-R154 CarbonylContact O-C 3.59Å; L141-R154 WeakPolarHBondContact O-CA 3.3Å; E142-R154 HydrophobicContact CB-CG 4.36Å; E142-R154 HydrophobicContact CG-CG 4.12Å; E142-R154 IonicContact OE1-CZ 2.88Å; E142-R154 VanDerWaalsContact OE1-CZ 3.25Å; E142-R154 IonicContact OE1-NE 2.67Å; E142-R154 PolarHBondContact OE1-NE 3.49Å; E142-R154 IonicContact OE1-NH2 2.96Å; E142-R154 PolarHBondContact OE1-NH2 2.93Å; R154-F156 HydrophobicContact CB-CD2 4.28Å; R154-F156 HydrophobicContact CB-CE2 3.52Å; R154-F156 HydrophobicContact CB-CZ 3.94Å; R154-D251 PolarHBondContact N-O 2.94Å; R154-A252 HydrophobicContact CB-CB 4.38Å; R154-A252 CarbonylContact O-C 3.6Å; R154-A252 WeakPolarHBondContact O-CA 3.26Å; R154-L253 PolarHBondContact O-N 3.34Å |
| 155 | I | 87.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.9 | 176.4 | -59.7 | 170.6 | 0 | 0 | 0 | 107.4 | F140 L141 L153 I163 I166 A225 L253 F255 | F140-I155 CarbonylContact C-O 3.55Å; F140-I155 WeakPolarHBondContact CA-O 3.47Å; F140-I155 WeakPolarHBondContact CB-O 3.43Å; L141-I155 HydrophobicContact CB-CB 4.32Å; L141-I155 HydrophobicContact CD2-CD1 4.39Å; L141-I155 PolarHBondContact N-O 2.91Å; L141-I155 PolarHBondContact O-N 3.29Å; L153-I155 HydrophobicContact CD2-CD1 3.99Å; L153-I155 HydrophobicContact CD2-CG1 4.06Å; L153-I155 HydrophobicContact CG-CD1 4.45Å; L153-I155 HydrophobicContact CG-CG1 4.02Å; I155-I163 HydrophobicContact CG2-CD1 4.2Å; I155-I166 HydrophobicContact CD1-CG2 3.97Å; I155-I166 HydrophobicContact CG2-CD1 4.09Å; I155-A225 HydrophobicContact CD1-CB 3.64Å; I155-L253 CarbonylContact C-O 3.46Å; I155-L253 WeakPolarHBondContact CA-O 3.49Å; I155-L253 HydrophobicContact CG1-CB 4.5Å; I155-F255 HydrophobicContact CG2-CD2 3.81Å; I155-F255 HydrophobicContact CG2-CE2 3.76Å |
| 156 | F | 87.9 | Confident | 78.2 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 31% | 0.311 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.8 | 175.7 | -61.8 | -86.2 | 0 | 0 | 0 | 109.7 | T139 F140 R154 A252 L253 H254 F255 | T139-F156 WeakPolarHBondContact O-CA 3.3Å; F140-F156 HydrophobicContact CB-CD1 3.54Å; F140-F156 HydrophobicContact CB-CE1 3.77Å; F140-F156 HydrophobicContact CB-CG 4.27Å; F140-F156 HydrophobicContact CG-CD1 4.44Å; F140-F156 HydrophobicContact CG-CE1 4.23Å; R154-F156 HydrophobicContact CB-CD2 4.28Å; R154-F156 HydrophobicContact CB-CE2 3.52Å; R154-F156 HydrophobicContact CB-CZ 3.94Å; F156-A252 HydrophobicContact CE2-CB 4.21Å; F156-L253 PolarHBondContact N-O 3.43Å; F156-H254 HydrophobicContact CB-CB 4.41Å; F156-H254 WeakPolarHBondContact O-CA 3.4Å; F156-F255 PolarHBondContact O-N 3.4Å |
| 157 | C | 85.4 | Confident | 78.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 133 | 172.1 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | T139 A159 F162 I163 F234 F255 | T139-C157 CarbonylContact C-O 3.58Å; T139-C157 WeakPolarHBondContact CA-O 3.36Å; T139-C157 CarbonylContact O-C 3.56Å; T139-C157 PolarHBondContact O-N 3.38Å; T139-C157 VanDerWaalsContact O-O 3.06Å; C157-A159 PolarHBondContact O-N 3.24Å; C157-F162 HydrophobicContact CB-CD1 3.99Å; C157-F162 HydrophobicContact CB-CE1 4.49Å; C157-I163 HydrophobicContact CB-CD1 3.81Å; C157-I163 HydrophobicContact CB-CG1 4.11Å; C157-F234 WeakPolarHBondContact SG-CE1 3.48Å; C157-F255 HydrophobicContact CB-CB 4.26Å; C157-F255 PolarHBondContact SG-O 3.16Å; C157-F255 VanDerWaalsContact SG-O 3.39Å |
| 158 | N | 79.4 | Confident | 79.9 | Confident | 143 Ų | 143 | 52.8 Ų | 52.8 | 77% | 0.765 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -78.1 | 36.2 | 173.5 | -164.7 | 33.7 | 0 | 0 | 0 | 112.4 | ||
| 159 | A | 83 | Confident | 80.8 | Confident | 19 Ų | 19 | 54 Ų | 54 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | trans | -141.8 | 96.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109.2 | C157 D161 F162 I163 F234 | C157-A159 PolarHBondContact O-N 3.24Å; A159-D161 PolarHBondContact O-N 2.95Å; A159-F162 HydrophobicContact CB-CB 3.97Å; A159-F162 WeakPolarHBondContact O-CA 3.3Å; A159-F162 VanDerWaalsContact O-CB 3.32Å; A159-F162 WeakPolarHBondContact O-CB 3.45Å; A159-F162 PolarHBondContact O-N 3.29Å; A159-I163 PolarHBondContact O-N 3.11Å; A159-I163 VanDerWaalsContact O-N 3.1Å; A159-F234 HydrophobicContact CB-CE1 3.4Å; A159-F234 VanDerWaalsContact CB-CE1 3.4Å; A159-F234 HydrophobicContact CB-CZ 3.41Å; A159-F234 VanDerWaalsContact CB-CZ 3.41Å | ||
| 160 | P | 81.4 | Confident | 81.9 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 17% | 0.169 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -31.7 | -171.6 | 27.9 | -36.7 | 0 | 0 | 0 | 114 | S135 T138 F162 I163 A164 | S135-P160 WeakPolarHBondContact O-CB 3.34Å; S135-P160 VanDerWaalsContact O-CG 3.31Å; S135-P160 WeakPolarHBondContact O-CG 3.42Å; S135-P160 WeakPolarHBondContact OG-CB 3.32Å; S135-P160 WeakPolarHBondContact OG-CG 3.5Å; T138-P160 WeakPolarHBondContact O-CA 3.22Å; T138-P160 WeakPolarHBondContact O-CB 3.38Å; P160-F162 PolarHBondContact O-N 2.85Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 2.99Å; P160-I163 VanDerWaalsContact O-N 3.13Å; P160-A164 WeakPolarHBondContact O-CB 3.5Å; P160-A164 PolarHBondContact O-N 3.39Å |
| 161 | D | 82.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 45.3 Ų | 45.3 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.3 | -32.9 | 171.4 | -61 | -27.6 | 0 | 0 | 0 | 111.8 | A159 K165 | A159-D161 PolarHBondContact O-N 2.95Å; D161-K165 WeakPolarHBondContact O-CB 2.73Å; D161-K165 VanDerWaalsContact O-CG 3.24Å; D161-K165 WeakPolarHBondContact O-CG 3.48Å; D161-K165 PolarHBondContact O-N 3.5Å |
| 162 | F | 85.1 | Confident | 83.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.6 | -42.5 | 175.9 | 176.5 | -111.4 | 0 | 0 | 0 | 111.5 | C157 A159 P160 A164 K165 I166 M228 A229 C232 F234 F255 | C157-F162 HydrophobicContact CB-CD1 3.99Å; C157-F162 HydrophobicContact CB-CE1 4.49Å; A159-F162 HydrophobicContact CB-CB 3.97Å; A159-F162 WeakPolarHBondContact O-CA 3.3Å; A159-F162 VanDerWaalsContact O-CB 3.32Å; A159-F162 WeakPolarHBondContact O-CB 3.45Å; A159-F162 PolarHBondContact O-N 3.29Å; P160-F162 PolarHBondContact O-N 2.85Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.39Å; F162-K165 PolarHBondContact O-N 2.89Å; F162-I166 HydrophobicContact CD1-CD1 3.87Å; F162-I166 HydrophobicContact CD2-CD1 4.47Å; F162-I166 HydrophobicContact CD2-CG1 4.42Å; F162-I166 HydrophobicContact CE1-CD1 3.16Å; F162-I166 HydrophobicContact CE1-CG1 4.08Å; F162-I166 HydrophobicContact CE2-CD1 3.84Å; F162-I166 HydrophobicContact CE2-CG1 3.88Å; F162-I166 HydrophobicContact CG-CD1 4.47Å; F162-I166 HydrophobicContact CZ-CD1 3.12Å; F162-I166 HydrophobicContact CZ-CG1 3.7Å; F162-I166 PolarHBondContact O-N 3.17Å; F162-M228 HydrophobicContact CE2-CB 4.16Å; F162-A229 HydrophobicContact CE1-CB 4.1Å; F162-A229 HydrophobicContact CE2-CB 4.28Å; F162-A229 HydrophobicContact CZ-CB 3.47Å; F162-A229 VanDerWaalsContact CZ-CB 3.47Å; F162-C232 HydrophobicContact CD2-CB 4.24Å; F162-C232 HydrophobicContact CE2-CB 4.33Å; F162-F234 HydrophobicContact CB-CE2 3.93Å; F162-F234 HydrophobicContact CB-CZ 3.75Å; F162-F234 HydrophobicContact CD1-CE2 4.4Å; F162-F234 HydrophobicContact CD1-CZ 4.4Å; F162-F234 HydrophobicContact CD2-CD2 4.19Å; F162-F234 AromaticContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CE2-CD2 4.41Å; F162-F234 HydrophobicContact CG-CD2 4.26Å; F162-F234 AromaticContact CG-CE2 3.81Å; F162-F234 HydrophobicContact CG-CE2 3.81Å; F162-F234 AromaticContact CG-CZ 3.99Å; F162-F234 HydrophobicContact CG-CZ 3.99Å; F162-F255 HydrophobicContact CE1-CB 4.42Å; F162-F255 HydrophobicContact CE1-CD2 4.03Å; F162-F255 HydrophobicContact CE1-CG 4.32Å |
| 163 | I | 86.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 172.2 | -69.2 | -61.5 | 0 | 0 | 0 | 110.9 | T138 L141 I155 C157 A159 P160 K165 I166 K167 | T138-I163 HydrophobicContact CG2-CG2 3.96Å; L141-I163 HydrophobicContact CB-CD1 4.34Å; L141-I163 HydrophobicContact CB-CG2 4.13Å; I155-I163 HydrophobicContact CG2-CD1 4.2Å; C157-I163 HydrophobicContact CB-CD1 3.81Å; C157-I163 HydrophobicContact CB-CG1 4.11Å; A159-I163 PolarHBondContact O-N 3.11Å; A159-I163 VanDerWaalsContact O-N 3.1Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 2.99Å; P160-I163 VanDerWaalsContact O-N 3.13Å; I163-K165 PolarHBondContact O-N 2.93Å; I163-I166 PolarHBondContact O-N 3.37Å; I163-K167 VanDerWaalsContact O-CB 3.3Å; I163-K167 WeakPolarHBondContact O-CB 3.47Å; I163-K167 PolarHBondContact O-N 2.85Å |
| 164 | A | 83.9 | Confident | 83.3 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P160 F162 K167 S168 | P160-A164 WeakPolarHBondContact O-CB 3.5Å; P160-A164 PolarHBondContact O-N 3.39Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.39Å; A164-K167 PolarHBondContact O-N 3.46Å; A164-S168 PolarHBondContact O-N 2.89Å; A164-S168 PolarHBondContact O-OG 2.95Å |
| 165 | K | 85.8 | Confident | 82.7 | Confident | 125 Ų | 125 | 50.5 Ų | 50.5 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 176 | -79.3 | 173.3 | -176.5 | 179.4 | 0 | 112.7 | D161 F162 I163 S168 R169 M228 | D161-K165 WeakPolarHBondContact O-CB 2.73Å; D161-K165 VanDerWaalsContact O-CG 3.24Å; D161-K165 WeakPolarHBondContact O-CG 3.48Å; D161-K165 PolarHBondContact O-N 3.5Å; F162-K165 PolarHBondContact O-N 2.89Å; I163-K165 PolarHBondContact O-N 2.93Å; K165-S168 PolarHBondContact O-N 3.49Å; K165-R169 WeakPolarHBondContact O-CB 3.44Å; K165-R169 PolarHBondContact O-N 3.48Å; K165-M228 HydrophobicContact CB-CE 4.27Å |
| 166 | I | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -49.3 | 175.4 | -71.7 | 173.8 | 0 | 0 | 0 | 109.5 | L141 I155 F162 I163 S168 R169 I170 A225 M228 | L141-I166 HydrophobicContact CD2-CB 4.36Å; L141-I166 HydrophobicContact CD2-CG2 3.65Å; I155-I166 HydrophobicContact CD1-CG2 3.97Å; I155-I166 HydrophobicContact CG2-CD1 4.09Å; F162-I166 HydrophobicContact CD1-CD1 3.87Å; F162-I166 HydrophobicContact CD2-CD1 4.47Å; F162-I166 HydrophobicContact CD2-CG1 4.42Å; F162-I166 HydrophobicContact CE1-CD1 3.16Å; F162-I166 HydrophobicContact CE1-CG1 4.08Å; F162-I166 HydrophobicContact CE2-CD1 3.84Å; F162-I166 HydrophobicContact CE2-CG1 3.88Å; F162-I166 HydrophobicContact CG-CD1 4.47Å; F162-I166 HydrophobicContact CZ-CD1 3.12Å; F162-I166 HydrophobicContact CZ-CG1 3.7Å; F162-I166 PolarHBondContact O-N 3.17Å; I163-I166 PolarHBondContact O-N 3.37Å; I166-S168 PolarHBondContact O-N 3.29Å; I166-R169 WeakPolarHBondContact O-CB 3.45Å; I166-R169 PolarHBondContact O-N 2.92Å; I166-R169 VanDerWaalsContact O-N 3.11Å; I166-I170 HydrophobicContact CG2-CD1 3.48Å; I166-I170 VanDerWaalsContact CG2-CD1 3.48Å; I166-I170 HydrophobicContact CG2-CG1 4.01Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.4Å; I166-A225 HydrophobicContact CD1-CB 4.34Å; I166-M228 HydrophobicContact CG1-CE 4.31Å; I166-M228 HydrophobicContact CG1-SD 4.23Å |
| 167 | K | 86.3 | Confident | 80.9 | Confident | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.7 | -51.5 | -179.9 | -177.3 | -173.2 | 178.1 | -175.1 | 0 | 111.3 | L141 I163 A164 R169 I170 V171 S188 S189 I192 | L141-K167 HydrophobicContact CD1-CB 4.04Å; L141-K167 HydrophobicContact CD1-CD 4.36Å; L141-K167 HydrophobicContact CD1-CG 4Å; L141-K167 HydrophobicContact CD2-CB 4.1Å; I163-K167 VanDerWaalsContact O-CB 3.3Å; I163-K167 WeakPolarHBondContact O-CB 3.47Å; I163-K167 PolarHBondContact O-N 2.85Å; A164-K167 PolarHBondContact O-N 3.46Å; K167-R169 VanDerWaalsContact C-N 3.31Å; K167-R169 PolarHBondContact O-N 2.89Å; K167-I170 PolarHBondContact O-N 2.87Å; K167-V171 WeakPolarHBondContact O-CB 3.43Å; K167-V171 VanDerWaalsContact O-CG2 3.3Å; K167-V171 WeakPolarHBondContact O-CG2 3.26Å; K167-V171 PolarHBondContact O-N 3.35Å; K167-S188 VanDerWaalsContact CE-O 3.3Å; K167-S188 WeakPolarHBondContact CE-O 3.36Å; K167-S188 PolarHBondContact NZ-O 2.94Å; K167-S189 PolarHBondContact NZ-O 3.25Å; K167-I192 HydrophobicContact CG-CD1 4.14Å; K167-I192 HydrophobicContact CG-CG1 4.42Å |
| 168 | S | 84.9 | Confident | 79.9 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.5 | -40.6 | 177.4 | -65 | 0 | 0 | 0 | 0 | 112.4 | A164 K165 I166 L172 | A164-S168 PolarHBondContact O-N 2.89Å; A164-S168 PolarHBondContact O-OG 2.95Å; K165-S168 PolarHBondContact O-N 3.49Å; I166-S168 PolarHBondContact O-N 3.29Å; S168-L172 VanDerWaalsContact O-CB 3.3Å; S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 PolarHBondContact O-N 3.44Å |
| 169 | R | 84.6 | Confident | 78.7 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 176.8 | 176.3 | 65.1 | 174.3 | 153.8 | 6.6 | 111.7 | K165 I166 K167 L172 V173 E224 M228 | K165-R169 WeakPolarHBondContact O-CB 3.44Å; K165-R169 PolarHBondContact O-N 3.48Å; I166-R169 WeakPolarHBondContact O-CB 3.45Å; I166-R169 PolarHBondContact O-N 2.92Å; I166-R169 VanDerWaalsContact O-N 3.11Å; K167-R169 VanDerWaalsContact C-N 3.31Å; K167-R169 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 2.82Å; R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.2Å; R169-V173 PolarHBondContact O-N 3.13Å; R169-E224 IonicContact CZ-OE1 3.82Å; R169-E224 IonicContact NE-OE1 3.88Å; R169-E224 IonicContact NE-OE2 3.9Å; R169-E224 IonicContact NH2-OE1 2.92Å; R169-E224 PolarHBondContact NH2-OE1 3.32Å; R169-E224 IonicContact NH2-OE2 3.99Å; R169-M228 HydrophobicContact CB-CE 3.85Å; R169-M228 HydrophobicContact CB-SD 3.66Å; R169-M228 HydrophobicContact CG-CE 4.25Å; R169-M228 HydrophobicContact CG-SD 3.53Å; R169-M228 VanDerWaalsContact CG-SD 3.53Å |
| 170 | I | 81.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | -179.6 | -67.6 | -179.9 | 0 | 0 | 0 | 109.9 | L141 I143 I166 K167 L172 V173 S174 I192 L221 | L141-I170 HydrophobicContact CD2-CD1 4.18Å; I143-I170 HydrophobicContact CD1-CD1 3.45Å; I143-I170 VanDerWaalsContact CD1-CD1 3.45Å; I143-I170 HydrophobicContact CD1-CG2 4.35Å; I166-I170 HydrophobicContact CG2-CD1 3.48Å; I166-I170 VanDerWaalsContact CG2-CD1 3.48Å; I166-I170 HydrophobicContact CG2-CG1 4.01Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.4Å; K167-I170 PolarHBondContact O-N 2.87Å; I170-L172 VanDerWaalsContact C-N 3.32Å; I170-L172 PolarHBondContact O-N 3.1Å; I170-V173 PolarHBondContact O-N 2.81Å; I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.12Å; I170-S174 PolarHBondContact O-OG 3.03Å; I170-I192 HydrophobicContact CB-CD1 4.01Å; I170-I192 HydrophobicContact CG2-CD1 3.68Å; I170-L221 HydrophobicContact CD1-CD2 4.47Å; I170-L221 HydrophobicContact CG1-CD2 4.33Å; I170-L221 HydrophobicContact CG2-CD2 4.06Å |
| 171 | V | 80.4 | Confident | 76.1 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | K167 S174 K175 F185 V187 I192 | K167-V171 WeakPolarHBondContact O-CB 3.43Å; K167-V171 VanDerWaalsContact O-CG2 3.3Å; K167-V171 WeakPolarHBondContact O-CG2 3.26Å; K167-V171 PolarHBondContact O-N 3.35Å; V171-S174 PolarHBondContact O-N 2.89Å; V171-K175 HydrophobicContact CG1-CD 4.11Å; V171-K175 HydrophobicContact CG1-CG 4.38Å; V171-K175 WeakPolarHBondContact O-CB 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.33Å; V171-K175 PolarHBondContact O-N 3.38Å; V171-F185 HydrophobicContact CG1-CE2 4.28Å; V171-V187 HydrophobicContact CG2-CG1 4.3Å; V171-V187 HydrophobicContact CG2-CG2 3.77Å; V171-I192 HydrophobicContact CG2-CD1 3.99Å; V171-I192 HydrophobicContact CG2-CG1 4.43Å |
| 172 | L | 80.4 | Confident | 74.9 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.7 | -178.8 | 66.9 | 0 | 0 | 0 | 112.1 | S168 R169 I170 S174 K175 S176 | S168-L172 VanDerWaalsContact O-CB 3.3Å; S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 PolarHBondContact O-N 3.44Å; R169-L172 PolarHBondContact O-N 2.82Å; I170-L172 VanDerWaalsContact C-N 3.32Å; I170-L172 PolarHBondContact O-N 3.1Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-K175 PolarHBondContact O-N 2.82Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.32Å |
| 173 | V | 75.5 | Confident | 74 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | R169 I170 R177 | R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.2Å; R169-V173 PolarHBondContact O-N 3.13Å; I170-V173 PolarHBondContact O-N 2.81Å; V173-R177 WeakPolarHBondContact O-CB 3.44Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.79Å |
| 174 | S | 74.3 | Confident | 73.2 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 3% | 0.028 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 175 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | I170 V171 L172 S176 R177 L178 F194 | I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.12Å; I170-S174 PolarHBondContact O-OG 3.03Å; V171-S174 PolarHBondContact O-N 2.89Å; L172-S174 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.38Å; S174-R177 PolarHBondContact O-N 2.96Å; S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.86Å; S174-F194 WeakPolarHBondContact OG-CZ 3.41Å |
| 175 | K | 74.4 | Confident | 72.8 | Confident | 122 Ų | 122 | 74 Ų | 74 | 53% | 0.53 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -51.3 | 179.4 | -74.5 | -177.1 | 177.7 | -175.1 | 0 | 112.6 | V171 L172 R177 L178 D179 F185 | V171-K175 HydrophobicContact CG1-CD 4.11Å; V171-K175 HydrophobicContact CG1-CG 4.38Å; V171-K175 WeakPolarHBondContact O-CB 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.33Å; V171-K175 PolarHBondContact O-N 3.38Å; L172-K175 PolarHBondContact O-N 2.82Å; K175-R177 PolarHBondContact O-N 3.39Å; K175-R177 VanDerWaalsContact O-N 3.15Å; K175-L178 CarbonylContact O-C 3.6Å; K175-L178 PolarHBondContact O-N 2.92Å; K175-L178 VanDerWaalsContact O-N 3.1Å; K175-D179 PolarHBondContact O-N 3Å; K175-F185 HydrophobicContact CG-CE1 4.5Å; K175-F185 HydrophobicContact CG-CZ 3.9Å |
| 176 | S | 71.3 | Confident | 72.5 | Confident | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -26.8 | -178.3 | 170.8 | 0 | 0 | 0 | 0 | 113.6 | L172 S174 | L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.32Å; S174-S176 PolarHBondContact O-N 3.38Å |
| 177 | R | 65.4 | Low | 72.3 | Confident | 192 Ų | 192 | 74.2 Ų | 74.2 | 73% | 0.725 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -94.6 | -23 | -178.9 | -65.1 | -78.1 | -168.1 | 164.8 | 2.4 | 111.2 | V173 S174 K175 F214 | V173-R177 WeakPolarHBondContact O-CB 3.44Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.79Å; S174-R177 PolarHBondContact O-N 2.96Å; K175-R177 PolarHBondContact O-N 3.39Å; K175-R177 VanDerWaalsContact O-N 3.15Å; R177-F214 HydrophobicContact CB-CD2 3.97Å; R177-F214 HydrophobicContact CB-CE2 3.02Å; R177-F214 HydrophobicContact CB-CZ 3.45Å; R177-F214 VanDerWaalsContact CB-CZ 3.45Å; R177-F214 HydrophobicContact CG-CE2 4.32Å; R177-F214 HydrophobicContact CG-CZ 4.41Å; R177-F214 VanDerWaalsContact O-CD2 3.29Å; R177-F214 WeakPolarHBondContact O-CD2 3.47Å; R177-F214 VanDerWaalsContact O-CE2 3.31Å; R177-F214 WeakPolarHBondContact O-CE2 3.5Å |
| 178 | L | 64.4 | Low | 72.1 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -97.9 | 13.2 | -177 | -72.3 | 173.2 | 0 | 0 | 0 | 112.2 | S174 K175 G180 F181 E184 F185 L208 F214 | S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.86Å; K175-L178 CarbonylContact O-C 3.6Å; K175-L178 PolarHBondContact O-N 2.92Å; K175-L178 VanDerWaalsContact O-N 3.1Å; L178-G180 PolarHBondContact O-N 2.91Å; L178-F181 PolarHBondContact O-N 2.85Å; L178-E184 HydrophobicContact CD1-CB 4.24Å; L178-F185 HydrophobicContact CD1-CD1 3.56Å; L178-F185 HydrophobicContact CD1-CE1 3.6Å; L178-L208 HydrophobicContact CD1-CD1 3.86Å; L178-L208 HydrophobicContact CD2-CB 3.79Å; L178-L208 HydrophobicContact CD2-CD1 4.04Å; L178-L208 HydrophobicContact CG-CD1 4.22Å; L178-F214 HydrophobicContact CB-CE2 4.19Å; L178-F214 HydrophobicContact CD1-CE2 4.49Å; L178-F214 HydrophobicContact CD2-CB 4.46Å; L178-F214 HydrophobicContact CD2-CD1 4.41Å; L178-F214 HydrophobicContact CD2-CD2 3.36Å; L178-F214 HydrophobicContact CD2-CE2 3.43Å; L178-F214 VanDerWaalsContact CD2-CE2 3.43Å; L178-F214 HydrophobicContact CD2-CG 3.85Å; L178-F214 HydrophobicContact CD2-CZ 4.09Å; L178-F214 HydrophobicContact CG-CD2 3.86Å; L178-F214 HydrophobicContact CG-CE2 3.36Å; L178-F214 HydrophobicContact CG-CZ 3.88Å |
| 179 | D | 55 | Low | 71.8 | Confident | 136 Ų | 136 | 75.7 Ų | 75.7 | 73% | 0.727 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.9 | 108.4 | -176.7 | -91.5 | -13.8 | 0 | 0 | 0 | 110.9 | K175 | K175-D179 PolarHBondContact O-N 3Š|
| 180 | G | 54.9 | Low | 71.8 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.2 | -14.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L178 | L178-G180 PolarHBondContact O-N 2.91Š|
| 181 | F | 55 | Low | 71.9 | Confident | 109 Ų | 109 | 75 Ų | 75 | 48% | 0.478 | 42% | 0.417 | S | S | . | . | trans | -131.9 | 83 | -170.8 | -60.8 | -85.2 | 0 | 0 | 0 | 113.5 | L178 E183 E184 | L178-F181 PolarHBondContact O-N 2.85Å; F181-E183 PolarHBondContact O-N 3.21Å; F181-E184 HydrophobicContact CB-CG 3.72Å | ||
| 182 | P | 56.9 | Low | 72 | Confident | 117 Ų | 117 | 73.9 Ų | 73.9 | 76% | 0.76 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.4 | -177.2 | 27.2 | -33.5 | 0 | 0 | 0 | 114.5 | ||
| 183 | E | 66.3 | Low | 72.1 | Confident | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.3 | -173.6 | -59 | -170.3 | -179.4 | 0 | 0 | 114.9 | F181 F185 K195 | F181-E183 PolarHBondContact O-N 3.21Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 2.97Å; E183-K195 VanDerWaalsContact O-CD 3.29Å; E183-K195 WeakPolarHBondContact O-CD 3.48Å; E183-K195 WeakPolarHBondContact O-CE 3.09Å; E183-K195 PolarHBondContact O-NZ 2.91Å; E183-K195 IonicContact OE2-NZ 2.79Å |
| 184 | E | 70.3 | Confident | 72.2 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -78.6 | -16.3 | -172.2 | -68 | -62.3 | 157.5 | 0 | 0 | 114.3 | L178 F181 K195 | L178-E184 HydrophobicContact CD1-CB 4.24Å; F181-E184 HydrophobicContact CB-CG 3.72Å; E184-K195 PolarHBondContact O-N 3.28Å |
| 185 | F | 73.6 | Confident | 72.1 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 13% | 0.127 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 149 | 175.9 | 68.7 | -79.6 | 0 | 0 | 0 | 111.9 | V171 K175 L178 E183 V187 I192 Q193 F194 | V171-F185 HydrophobicContact CG1-CE2 4.28Å; K175-F185 HydrophobicContact CG-CE1 4.5Å; K175-F185 HydrophobicContact CG-CZ 3.9Å; L178-F185 HydrophobicContact CD1-CD1 3.56Å; L178-F185 HydrophobicContact CD1-CE1 3.6Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 2.97Å; F185-V187 HydrophobicContact CD2-CG2 3.71Å; F185-V187 HydrophobicContact CE2-CG2 3.6Å; F185-I192 HydrophobicContact CD2-CG2 4.22Å; F185-Q193 CarbonylContact C-O 3.55Å; F185-Q193 WeakPolarHBondContact CA-O 3.3Å; F185-Q193 WeakPolarHBondContact CB-O 3.35Å; F185-F194 HydrophobicContact CB-CB 4.46Å; F185-F194 HydrophobicContact CB-CD1 3.47Å; F185-F194 VanDerWaalsContact CB-CD1 3.47Å; F185-F194 HydrophobicContact CB-CE1 3.82Å; F185-F194 HydrophobicContact CB-CG 4.02Å; F185-F194 HydrophobicContact CD1-CE1 4.26Å; F185-F194 HydrophobicContact CG-CD1 4.15Å; F185-F194 AromaticContact CG-CE1 4Å; F185-F194 HydrophobicContact CG-CE1 4Å |
| 186 | S | 80.9 | Confident | 71.4 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.3 | 171.8 | 71 | 0 | 0 | 0 | 0 | 110.1 | Q193 | S186-Q193 PolarHBondContact N-O 3.1Å; S186-Q193 PolarHBondContact O-N 3.02Å |
| 187 | V | 82.3 | Confident | 70.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.4 | 178.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | V171 F185 | V171-V187 HydrophobicContact CG2-CG1 4.3Å; V171-V187 HydrophobicContact CG2-CG2 3.77Å; F185-V187 HydrophobicContact CD2-CG2 3.71Å; F185-V187 HydrophobicContact CE2-CG2 3.6Å |
| 188 | S | 81.9 | Confident | 70.2 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | trans | -107.2 | -170.6 | 170.1 | 76.1 | 0 | 0 | 0 | 0 | 110.1 | K167 N190 I191 | K167-S188 VanDerWaalsContact CE-O 3.3Å; K167-S188 WeakPolarHBondContact CE-O 3.36Å; K167-S188 PolarHBondContact NZ-O 2.94Å; S188-N190 PolarHBondContact O-N 3.15Å; S188-I191 PolarHBondContact N-O 2.87Å; S188-I191 VanDerWaalsContact OG-CB 3.31Å; S188-I191 WeakPolarHBondContact OG-CB 3.24Å; S188-I191 PolarHBondContact OG-N 3.27Å; S188-I191 PolarHBondContact OG-O 3.37Å | ||
| 189 | S | 78.4 | Confident | 69.4 | Low | 94 Ų | 94 | 70.2 Ų | 70.2 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -52.7 | -53.9 | -176.1 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | K167 | K167-S189 PolarHBondContact NZ-O 3.25Š|
| 190 | N | 83.9 | Confident | 69 | Low | 35 Ų | 35 | 65.7 Ų | 65.7 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -122.3 | 5.6 | -174 | -56.7 | 7.6 | 0 | 0 | 0 | 112.4 | T138 F140 E142 S188 | T138-N190 HydrophobicContact CG2-CB 4.41Å; T138-N190 WeakPolarHBondContact CG2-OD1 3.31Å; F140-N190 HydrophobicContact CE2-CB 4.23Å; F140-N190 HydrophobicContact CZ-CB 4.29Å; E142-N190 PolarHBondContact N-O 3.45Å; S188-N190 PolarHBondContact O-N 3.15Å |
| 191 | I | 83.9 | Confident | 68.6 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132 | -173.6 | -47.1 | 177.2 | 0 | 0 | 0 | 109.7 | E142 S188 Q193 | E142-I191 HydrophobicContact CB-CG1 4.35Å; E142-I191 CarbonylContact O-C 3.55Å; E142-I191 VanDerWaalsContact O-CA 3.25Å; E142-I191 WeakPolarHBondContact O-CA 3.22Å; S188-I191 PolarHBondContact N-O 2.87Å; S188-I191 VanDerWaalsContact OG-CB 3.31Å; S188-I191 WeakPolarHBondContact OG-CB 3.24Å; S188-I191 PolarHBondContact OG-N 3.27Å; S188-I191 PolarHBondContact OG-O 3.37Å; I191-Q193 HydrophobicContact CG2-CB 4.29Å |
| 192 | I | 83.9 | Confident | 68.3 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.5 | 163 | -57.9 | 172.7 | 0 | 0 | 0 | 105.9 | L141 E142 I143 T144 K167 I170 V171 F185 F194 | L141-I192 HydrophobicContact CD1-CD1 4.26Å; L141-I192 HydrophobicContact CD1-CG1 4.23Å; E142-I192 PolarHBondContact O-N 3.4Å; I143-I192 VanDerWaalsContact CA-O 3.31Å; I143-I192 WeakPolarHBondContact CA-O 3.49Å; T144-I192 PolarHBondContact N-O 2.89Å; K167-I192 HydrophobicContact CG-CD1 4.14Å; K167-I192 HydrophobicContact CG-CG1 4.42Å; I170-I192 HydrophobicContact CB-CD1 4.01Å; I170-I192 HydrophobicContact CG2-CD1 3.68Å; V171-I192 HydrophobicContact CG2-CD1 3.99Å; V171-I192 HydrophobicContact CG2-CG1 4.43Å; F185-I192 HydrophobicContact CD2-CG2 4.22Å; I192-F194 HydrophobicContact CG2-CD2 4.22Å; I192-F194 HydrophobicContact CG2-CE2 3.58Å; I192-F194 HydrophobicContact CG2-CZ 3.86Å |
| 193 | Q | 81.8 | Confident | 68.1 | Low | 56 Ų | 56 | 70 Ų | 70 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.8 | -176.1 | -171.7 | -179.9 | 0.9 | 0 | 0 | 109.4 | T144 F185 S186 I191 | T144-Q193 CarbonylContact O-C 3.36Å; T144-Q193 WeakPolarHBondContact O-CA 3.47Å; F185-Q193 CarbonylContact C-O 3.55Å; F185-Q193 WeakPolarHBondContact CA-O 3.3Å; F185-Q193 WeakPolarHBondContact CB-O 3.35Å; S186-Q193 PolarHBondContact N-O 3.1Å; S186-Q193 PolarHBondContact O-N 3.02Å; I191-Q193 HydrophobicContact CG2-CB 4.29Å |
| 194 | F | 77.3 | Confident | 67.3 | Low | 5 Ų | 5 | 64.7 Ų | 64.7 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.4 | 174 | -62.6 | -92.9 | 0 | 0 | 0 | 110.4 | I143 T144 D145 S146 S174 F185 I192 F197 L208 | I143-F194 HydrophobicContact CG2-CD2 4Å; I143-F194 HydrophobicContact CG2-CE2 3.61Å; T144-F194 PolarHBondContact O-N 2.72Å; D145-F194 CarbonylContact C-O 3.48Å; S146-F194 WeakPolarHBondContact CB-O 3.39Å; S146-F194 PolarHBondContact N-O 3.12Å; S174-F194 WeakPolarHBondContact OG-CZ 3.41Å; F185-F194 HydrophobicContact CB-CB 4.46Å; F185-F194 HydrophobicContact CB-CD1 3.47Å; F185-F194 VanDerWaalsContact CB-CD1 3.47Å; F185-F194 HydrophobicContact CB-CE1 3.82Å; F185-F194 HydrophobicContact CB-CG 4.02Å; F185-F194 HydrophobicContact CD1-CE1 4.26Å; F185-F194 HydrophobicContact CG-CD1 4.15Å; F185-F194 AromaticContact CG-CE1 4Å; F185-F194 HydrophobicContact CG-CE1 4Å; I192-F194 HydrophobicContact CG2-CD2 4.22Å; I192-F194 HydrophobicContact CG2-CE2 3.58Å; I192-F194 HydrophobicContact CG2-CZ 3.86Å; F194-F197 HydrophobicContact CB-CD2 4.34Å; F194-F197 HydrophobicContact CB-CE2 3.87Å; F194-F197 HydrophobicContact CD2-CE2 4.16Å; F194-F197 HydrophobicContact CD2-CZ 4.43Å; F194-F197 HydrophobicContact CG-CE2 4.43Å; F194-L208 HydrophobicContact CB-CD2 3.87Å; F194-L208 HydrophobicContact CD1-CD1 3.52Å; F194-L208 HydrophobicContact CD1-CD2 3.37Å; F194-L208 HydrophobicContact CD1-CG 4.12Å; F194-L208 HydrophobicContact CE1-CD1 3.41Å; F194-L208 VanDerWaalsContact CE1-CD1 3.41Å; F194-L208 HydrophobicContact CE1-CD2 4.09Å; F194-L208 HydrophobicContact CE1-CG 4.43Å; F194-L208 HydrophobicContact CG-CD2 3.8Å; F194-L208 HydrophobicContact CZ-CD1 4.42Å |
| 195 | K | 71.3 | Confident | 66.2 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -65.9 | -42.5 | 178.1 | -80.8 | -177.3 | 172.6 | 164.2 | 0 | 112.8 | S146 H147 E183 E184 | S146-K195 PolarHBondContact OG-O 3.37Å; H147-K195 PolarHBondContact CD2-O 2.94Å; E183-K195 VanDerWaalsContact O-CD 3.29Å; E183-K195 WeakPolarHBondContact O-CD 3.48Å; E183-K195 WeakPolarHBondContact O-CE 3.09Å; E183-K195 PolarHBondContact O-NZ 2.91Å; E183-K195 IonicContact OE2-NZ 2.79Å; E184-K195 PolarHBondContact O-N 3.28Å |
| 196 | Y | 61.4 | Low | 65.2 | Low | 85 Ų | 85 | 66.7 Ų | 66.7 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | trans | -134.1 | 135.3 | -173.9 | -56.9 | -77.8 | 0 | 0 | 0 | 113.9 | D145 H147 | D145-Y196 WeakPolarHBondContact OD2-CA 2.89Å; D145-Y196 PolarHBondContact OD2-N 3.46Å; H147-Y196 AromaticContact CD2-CD1 3.67Å; H147-Y196 AromaticContact CD2-CE1 3.79Å; H147-Y196 AromaticContact NE2-CD1 3.71Å; H147-Y196 AromaticContact NE2-CE1 3.32Å; H147-Y196 VanDerWaalsContact NE2-CE1 3.32Å; H147-Y196 WeakPolarHBondContact NE2-CE1 3.32Å | ||
| 197 | F | 60.6 | Low | 63.8 | Low | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | trans | -118.6 | 115.4 | 167.9 | -81.2 | -127.9 | 0 | 0 | 0 | 109 | T144 D145 Q151 F194 L206 | T144-F197 WeakPolarHBondContact O-CE2 3.45Å; D145-F197 HydrophobicContact CB-CB 3.84Å; D145-F197 HydrophobicContact CB-CD1 4.23Å; D145-F197 HydrophobicContact CB-CD2 3.12Å; D145-F197 HydrophobicContact CB-CE2 3.54Å; D145-F197 HydrophobicContact CB-CG 3.49Å; D145-F197 VanDerWaalsContact CB-CG 3.49Å; D145-F197 HydrophobicContact CB-CZ 4.29Å; D145-F197 VanDerWaalsContact CG-CD2 3.42Å; D145-F197 WeakPolarHBondContact OD2-CD2 3.4Å; D145-F197 PolarHBondContact OD2-N 3.02Å; Q151-F197 HydrophobicContact CB-CD1 4.34Å; Q151-F197 WeakPolarHBondContact O-CD1 3.15Å; Q151-F197 WeakPolarHBondContact O-CE1 3.45Å; F194-F197 HydrophobicContact CB-CD2 4.34Å; F194-F197 HydrophobicContact CB-CE2 3.87Å; F194-F197 HydrophobicContact CD2-CE2 4.16Å; F194-F197 HydrophobicContact CD2-CZ 4.43Å; F194-F197 HydrophobicContact CG-CE2 4.43Å; F197-L206 HydrophobicContact CD1-CD2 3.11Å; F197-L206 HydrophobicContact CD2-CD2 4.43Å; F197-L206 HydrophobicContact CE1-CD2 3.16Å; F197-L206 HydrophobicContact CG-CD2 3.83Å; F197-L206 HydrophobicContact CZ-CD2 3.95Å | ||
| 198 | I | 50.9 | Low | 62.4 | Low | 67 Ų | 67 | 61.1 Ų | 61.1 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | trans | -115.8 | 108.4 | -178.5 | -53.9 | 178.5 | 0 | 0 | 0 | 111.1 | S200 R205 V207 | I198-S200 PolarHBondContact O-N 2.86Å; I198-R205 CarbonylContact C-O 3.49Å; I198-V207 HydrophobicContact CB-CB 4.12Å; I198-V207 HydrophobicContact CB-CG2 4.33Å; I198-V207 HydrophobicContact CD1-CB 4.23Å; I198-V207 HydrophobicContact CD1-CG1 4.41Å; I198-V207 HydrophobicContact CG1-CB 4.4Å | ||
| 199 | K | 46.7 | Very low | 60.7 | Low | 151 Ų | 151 | 61.6 Ų | 61.6 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | trans | -69.4 | 129.3 | 177.4 | -162.7 | 174.1 | -175.4 | 174.5 | 0 | 111.1 | ||||
| 200 | S | 47.6 | Very low | 59.2 | Low | 40 Ų | 40 | 65 Ų | 65 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -99.9 | 153.6 | 169.3 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | I198 N202 G203 R205 | I198-S200 PolarHBondContact O-N 2.86Å; S200-N202 PolarHBondContact O-N 3.4Å; S200-G203 PolarHBondContact O-N 2.91Å; S200-G203 VanDerWaalsContact O-N 3.11Å; S200-R205 VanDerWaalsContact CB-CD 3.44Å; S200-R205 PolarHBondContact OG-NE 2.74Å |
| 201 | E | 45.8 | Very low | 57.7 | Low | 196 Ų | 196 | 67 Ų | 67 | 92% | 0.916 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.7 | -178 | -66 | -176 | 157 | 0 | 0 | 114.1 | ||
| 202 | N | 48.3 | Very low | 56.3 | Low | 147 Ų | 147 | 69.3 Ų | 69.3 | 79% | 0.786 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 19.5 | -179.3 | -70.9 | -3.7 | 0 | 0 | 0 | 114.6 | S200 | S200-N202 PolarHBondContact O-N 3.4Š|
| 203 | G | 52.1 | Low | 54.8 | Low | 39 Ų | 39 | 73.9 Ų | 73.9 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | 114.9 | 154.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S200 R205 | S200-G203 PolarHBondContact O-N 2.91Å; S200-G203 VanDerWaalsContact O-N 3.11Å; G203-R205 PolarHBondContact O-N 3.4Å |
| 204 | T | 49.6 | Very low | 53.4 | Low | 31 Ų | 31 | 72 Ų | 72 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | trans | -57.9 | 101.1 | -169.9 | -42.7 | 0 | 0 | 0 | 0 | 112 | L218 | T204-L218 HydrophobicContact CG2-CB 4.38Å; T204-L218 HydrophobicContact CG2-CD2 4.27Å | ||
| 205 | R | 47.5 | Very low | 52.3 | Low | 104 Ų | 104 | 75.8 Ų | 75.8 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.5 | 169.5 | -62.5 | -176.3 | -172.6 | -167.1 | -1.1 | 107.2 | I198 S200 G203 V207 T217 | I198-R205 CarbonylContact C-O 3.49Å; S200-R205 VanDerWaalsContact CB-CD 3.44Å; S200-R205 PolarHBondContact OG-NE 2.74Å; G203-R205 PolarHBondContact O-N 3.4Å; R205-V207 HydrophobicContact CB-CG2 4.02Å; R205-V207 PolarHBondContact O-N 2.68Å; R205-T217 HydrophobicContact CG-CG2 4.26Å |
| 206 | L | 53 | Low | 52 | Low | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 103.6 | 164 | -39.8 | 162.4 | 0 | 0 | 0 | 104.7 | F197 C216 L218 L221 | F197-L206 HydrophobicContact CD1-CD2 3.11Å; F197-L206 HydrophobicContact CD2-CD2 4.43Å; F197-L206 HydrophobicContact CE1-CD2 3.16Å; F197-L206 HydrophobicContact CG-CD2 3.83Å; F197-L206 HydrophobicContact CZ-CD2 3.95Å; L206-C216 CarbonylContact C-O 3.49Å; L206-C216 WeakPolarHBondContact CA-O 3.37Å; L206-C216 WeakPolarHBondContact CB-O 3.44Å; L206-C216 WeakPolarHBondContact CD1-O 3.25Å; L206-C216 WeakPolarHBondContact CG-O 3.46Å; L206-C216 PolarHBondContact N-O 2.82Å; L206-C216 PolarHBondContact O-N 3.07Å; L206-L218 HydrophobicContact CD2-CB 4.45Å; L206-L221 HydrophobicContact CD1-CD1 3.46Å; L206-L221 VanDerWaalsContact CD1-CD1 3.46Å; L206-L221 HydrophobicContact CD1-CG 4.24Å |
| 207 | V | 51 | Low | 52.3 | Low | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 109.6 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | I198 R205 K209 N212 F214 | I198-V207 HydrophobicContact CB-CB 4.12Å; I198-V207 HydrophobicContact CB-CG2 4.33Å; I198-V207 HydrophobicContact CD1-CB 4.23Å; I198-V207 HydrophobicContact CD1-CG1 4.41Å; I198-V207 HydrophobicContact CG1-CB 4.4Å; R205-V207 HydrophobicContact CB-CG2 4.02Å; R205-V207 PolarHBondContact O-N 2.68Å; V207-K209 WeakPolarHBondContact CG1-O 3.23Å; V207-K209 PolarHBondContact O-N 2.79Å; V207-N212 VanDerWaalsContact CG1-CA 3.47Å; V207-N212 HydrophobicContact CG1-CB 4.29Å; V207-F214 VanDerWaalsContact CA-O 3.23Å; V207-F214 WeakPolarHBondContact CA-O 2.93Å |
| 208 | L | 52.5 | Low | 52.9 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | trans | -93.8 | 42.7 | -179.8 | -54.1 | -177.6 | 0 | 0 | 0 | 111.5 | L178 F194 F214 | L178-L208 HydrophobicContact CD1-CD1 3.86Å; L178-L208 HydrophobicContact CD2-CB 3.79Å; L178-L208 HydrophobicContact CD2-CD1 4.04Å; L178-L208 HydrophobicContact CG-CD1 4.22Å; F194-L208 HydrophobicContact CB-CD2 3.87Å; F194-L208 HydrophobicContact CD1-CD1 3.52Å; F194-L208 HydrophobicContact CD1-CD2 3.37Å; F194-L208 HydrophobicContact CD1-CG 4.12Å; F194-L208 HydrophobicContact CE1-CD1 3.41Å; F194-L208 VanDerWaalsContact CE1-CD1 3.41Å; F194-L208 HydrophobicContact CE1-CD2 4.09Å; F194-L208 HydrophobicContact CE1-CG 4.43Å; F194-L208 HydrophobicContact CG-CD2 3.8Å; F194-L208 HydrophobicContact CZ-CD1 4.42Å; L208-F214 HydrophobicContact CB-CB 3.98Å; L208-F214 HydrophobicContact CB-CD1 3.42Å; L208-F214 VanDerWaalsContact CB-CD1 3.42Å; L208-F214 HydrophobicContact CB-CE1 4.01Å; L208-F214 HydrophobicContact CB-CG 3.76Å; L208-F214 HydrophobicContact CD1-CD1 3.56Å; L208-F214 HydrophobicContact CD1-CE1 3.18Å; L208-F214 HydrophobicContact CD1-CE2 4.42Å; L208-F214 HydrophobicContact CD1-CG 4.38Å; L208-F214 HydrophobicContact CD1-CZ 3.67Å; L208-F214 HydrophobicContact CG-CD1 3.44Å; L208-F214 VanDerWaalsContact CG-CD1 3.44Å; L208-F214 HydrophobicContact CG-CE1 3.6Å; L208-F214 HydrophobicContact CG-CG 4.28Å; L208-F214 HydrophobicContact CG-CZ 4.48Å; L208-F214 PolarHBondContact N-O 2.9Å | ||
| 209 | K | 46.9 | Very low | 54 | Low | 71 Ų | 71 | 71.2 Ų | 71.2 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -165.5 | 145.3 | 169.3 | -159.9 | 158.9 | 156.3 | -143.6 | 0 | 111.8 | V207 D211 N212 T213 | V207-K209 WeakPolarHBondContact CG1-O 3.23Å; V207-K209 PolarHBondContact O-N 2.79Å; K209-D211 VanDerWaalsContact CB-OD1 3.31Å; K209-D211 WeakPolarHBondContact CB-OD1 3.16Å; K209-D211 WeakPolarHBondContact CD-OD1 2.85Å; K209-D211 VanDerWaalsContact CE-OD1 3.27Å; K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 WeakPolarHBondContact CE-OD2 3.42Å; K209-D211 WeakPolarHBondContact CG-OD1 3.11Å; K209-D211 VanDerWaalsContact NZ-CG 3.34Å; K209-D211 IonicContact NZ-OD1 2.83Å; K209-D211 PolarHBondContact NZ-OD1 3.49Å; K209-D211 IonicContact NZ-OD2 3.25Å; K209-D211 PolarHBondContact NZ-OD2 2.91Å; K209-D211 PolarHBondContact O-N 2.75Å; K209-D211 VanDerWaalsContact O-N 3.07Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-T213 VanDerWaalsContact CD-OG1 3.3Å; K209-T213 WeakPolarHBondContact CD-OG1 3.31Å; K209-T213 PolarHBondContact NZ-OG1 3.01Å; K209-T213 VanDerWaalsContact NZ-OG1 3.08Å |
| 210 | E | 47.4 | Very low | 55.4 | Low | 166 Ų | 166 | 67.2 Ų | 67.2 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.2 | 173.4 | -76.2 | -174.8 | 152.5 | 0 | 0 | 113.7 | ||
| 211 | D | 52.1 | Low | 56.8 | Low | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 9.4 | -174.7 | 78.4 | -11.9 | 0 | 0 | 0 | 115.2 | K209 T213 | K209-D211 VanDerWaalsContact CB-OD1 3.31Å; K209-D211 WeakPolarHBondContact CB-OD1 3.16Å; K209-D211 WeakPolarHBondContact CD-OD1 2.85Å; K209-D211 VanDerWaalsContact CE-OD1 3.27Å; K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 WeakPolarHBondContact CE-OD2 3.42Å; K209-D211 WeakPolarHBondContact CG-OD1 3.11Å; K209-D211 VanDerWaalsContact NZ-CG 3.34Å; K209-D211 IonicContact NZ-OD1 2.83Å; K209-D211 PolarHBondContact NZ-OD1 3.49Å; K209-D211 IonicContact NZ-OD2 3.25Å; K209-D211 PolarHBondContact NZ-OD2 2.91Å; K209-D211 PolarHBondContact O-N 2.75Å; K209-D211 VanDerWaalsContact O-N 3.07Å; D211-T213 VanDerWaalsContact C-N 3.33Å; D211-T213 VanDerWaalsContact CG-OG1 3.28Å; D211-T213 PolarHBondContact O-N 2.77Å; D211-T213 WeakPolarHBondContact OD1-CB 3.2Å; D211-T213 PolarHBondContact OD1-N 2.83Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; D211-T213 PolarHBondContact OD2-OG1 3.26Å |
| 212 | N | 53.9 | Low | 58.6 | Low | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 67.7 | 13.3 | -179.7 | -58.6 | -43.7 | 0 | 0 | 0 | 117.6 | V207 K209 | V207-N212 VanDerWaalsContact CG1-CA 3.47Å; V207-N212 HydrophobicContact CG1-CB 4.29Å; K209-N212 PolarHBondContact O-N 3.45Å |
| 213 | T | 52.2 | Low | 60.3 | Low | 95 Ų | 95 | 55.8 Ų | 55.8 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | trans | -82.8 | -16.3 | -176.8 | 46.5 | 0 | 0 | 0 | 0 | 116.3 | K209 D211 | K209-T213 VanDerWaalsContact CD-OG1 3.3Å; K209-T213 WeakPolarHBondContact CD-OG1 3.31Å; K209-T213 PolarHBondContact NZ-OG1 3.01Å; K209-T213 VanDerWaalsContact NZ-OG1 3.08Å; D211-T213 VanDerWaalsContact C-N 3.33Å; D211-T213 VanDerWaalsContact CG-OG1 3.28Å; D211-T213 PolarHBondContact O-N 2.77Å; D211-T213 WeakPolarHBondContact OD1-CB 3.2Å; D211-T213 PolarHBondContact OD1-N 2.83Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; D211-T213 PolarHBondContact OD2-OG1 3.26Å | ||
| 214 | F | 52.8 | Low | 61.9 | Low | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | trans | -107.2 | 123.5 | 174.1 | -172.4 | -78.2 | 0 | 0 | 0 | 110.7 | R177 L178 V207 L208 C216 | R177-F214 HydrophobicContact CB-CD2 3.97Å; R177-F214 HydrophobicContact CB-CE2 3.02Å; R177-F214 HydrophobicContact CB-CZ 3.45Å; R177-F214 VanDerWaalsContact CB-CZ 3.45Å; R177-F214 HydrophobicContact CG-CE2 4.32Å; R177-F214 HydrophobicContact CG-CZ 4.41Å; R177-F214 VanDerWaalsContact O-CD2 3.29Å; R177-F214 WeakPolarHBondContact O-CD2 3.47Å; R177-F214 VanDerWaalsContact O-CE2 3.31Å; R177-F214 WeakPolarHBondContact O-CE2 3.5Å; L178-F214 HydrophobicContact CB-CE2 4.19Å; L178-F214 HydrophobicContact CD1-CE2 4.49Å; L178-F214 HydrophobicContact CD2-CB 4.46Å; L178-F214 HydrophobicContact CD2-CD1 4.41Å; L178-F214 HydrophobicContact CD2-CD2 3.36Å; L178-F214 HydrophobicContact CD2-CE2 3.43Å; L178-F214 VanDerWaalsContact CD2-CE2 3.43Å; L178-F214 HydrophobicContact CD2-CG 3.85Å; L178-F214 HydrophobicContact CD2-CZ 4.09Å; L178-F214 HydrophobicContact CG-CD2 3.86Å; L178-F214 HydrophobicContact CG-CE2 3.36Å; L178-F214 HydrophobicContact CG-CZ 3.88Å; V207-F214 VanDerWaalsContact CA-O 3.23Å; V207-F214 WeakPolarHBondContact CA-O 2.93Å; L208-F214 HydrophobicContact CB-CB 3.98Å; L208-F214 HydrophobicContact CB-CD1 3.42Å; L208-F214 VanDerWaalsContact CB-CD1 3.42Å; L208-F214 HydrophobicContact CB-CE1 4.01Å; L208-F214 HydrophobicContact CB-CG 3.76Å; L208-F214 HydrophobicContact CD1-CD1 3.56Å; L208-F214 HydrophobicContact CD1-CE1 3.18Å; L208-F214 HydrophobicContact CD1-CE2 4.42Å; L208-F214 HydrophobicContact CD1-CG 4.38Å; L208-F214 HydrophobicContact CD1-CZ 3.67Å; L208-F214 HydrophobicContact CG-CD1 3.44Å; L208-F214 VanDerWaalsContact CG-CD1 3.44Å; L208-F214 HydrophobicContact CG-CE1 3.6Å; L208-F214 HydrophobicContact CG-CG 4.28Å; L208-F214 HydrophobicContact CG-CZ 4.48Å; L208-F214 PolarHBondContact N-O 2.9Å; F214-C216 HydrophobicContact CD1-CB 4.5Å; F214-C216 HydrophobicContact CE1-CB 3.65Å; F214-C216 HydrophobicContact CZ-CB 4.43Å | ||
| 215 | V | 54.7 | Low | 63.7 | Low | 85 Ų | 85 | 55.1 Ų | 55.1 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 98.4 | -177.3 | -173 | 0 | 0 | 0 | 0 | 109.8 | T217 | V215-T217 HydrophobicContact CG1-CG2 4.21Å |
| 216 | C | 64.1 | Low | 65.7 | Low | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.1 | 161 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | L206 F214 | L206-C216 CarbonylContact C-O 3.49Å; L206-C216 WeakPolarHBondContact CA-O 3.37Å; L206-C216 WeakPolarHBondContact CB-O 3.44Å; L206-C216 WeakPolarHBondContact CD1-O 3.25Å; L206-C216 WeakPolarHBondContact CG-O 3.46Å; L206-C216 PolarHBondContact N-O 2.82Å; L206-C216 PolarHBondContact O-N 3.07Å; F214-C216 HydrophobicContact CD1-CB 4.5Å; F214-C216 HydrophobicContact CE1-CB 3.65Å; F214-C216 HydrophobicContact CZ-CB 4.43Å |
| 217 | T | 69.2 | Low | 67.4 | Low | 35 Ų | 35 | 55.3 Ų | 55.3 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 153.6 | 179.8 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | R205 V215 E219 T220 L221 | R205-T217 HydrophobicContact CG-CG2 4.26Å; V215-T217 HydrophobicContact CG1-CG2 4.21Å; T217-E219 PolarHBondContact O-N 3.25Å; T217-T220 WeakPolarHBondContact O-CA 3.31Å; T217-T220 WeakPolarHBondContact O-CB 3.44Å; T217-T220 PolarHBondContact O-N 3.43Å; T217-T220 PolarHBondContact OG1-N 2.88Å; T217-T220 PolarHBondContact OG1-OG1 2.77Å; T217-L221 PolarHBondContact O-N 2.8Å; T217-L221 VanDerWaalsContact O-N 3.12Å |
| 218 | L | 72.2 | Confident | 69.2 | Low | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.9 | -37.9 | 171.1 | -177.4 | 57.9 | 0 | 0 | 0 | 110.7 | L153 T204 L206 T220 L221 K222 D251 | L153-L218 HydrophobicContact CB-CD1 3.66Å; L153-L218 HydrophobicContact CD1-CD1 4.49Å; L153-L218 HydrophobicContact CD2-CD1 4.39Å; L153-L218 HydrophobicContact CG-CD1 4.38Å; T204-L218 HydrophobicContact CG2-CB 4.38Å; T204-L218 HydrophobicContact CG2-CD2 4.27Å; L206-L218 HydrophobicContact CD2-CB 4.45Å; L218-T220 PolarHBondContact O-N 2.77Å; L218-L221 PolarHBondContact O-N 3.44Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 2.81Å; L218-D251 HydrophobicContact CD2-CB 4.3Å; L218-D251 WeakPolarHBondContact CD2-OD2 3.25Å |
| 219 | E | 73.8 | Confident | 71 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 171.4 | -69.7 | -55.9 | 130.9 | 0 | 0 | 113.8 | T217 K222 F223 | T217-E219 PolarHBondContact O-N 3.25Å; E219-K222 PolarHBondContact O-N 3.02Å; E219-K222 IonicContact OE1-NZ 3.73Å; E219-K222 PolarHBondContact OE1-NZ 2.85Å; E219-F223 WeakPolarHBondContact O-CB 3.05Å; E219-F223 PolarHBondContact O-N 2.89Å |
| 220 | T | 76.1 | Confident | 73 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.3 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | T217 L218 F223 E224 | T217-T220 WeakPolarHBondContact O-CA 3.31Å; T217-T220 WeakPolarHBondContact O-CB 3.44Å; T217-T220 PolarHBondContact O-N 3.43Å; T217-T220 PolarHBondContact OG1-N 2.88Å; T217-T220 PolarHBondContact OG1-OG1 2.77Å; L218-T220 PolarHBondContact O-N 2.77Å; T220-F223 PolarHBondContact O-N 2.62Å; T220-E224 WeakPolarHBondContact O-CB 3.27Å; T220-E224 PolarHBondContact O-N 2.79Å |
| 221 | L | 78.8 | Confident | 75 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.9 | -66.2 | -178.4 | 0 | 0 | 0 | 111.8 | I143 L153 I170 L206 T217 L218 E224 A225 | I143-L221 HydrophobicContact CD1-CD1 4.09Å; I143-L221 HydrophobicContact CG2-CD1 4.2Å; L153-L221 HydrophobicContact CD2-CB 4.22Å; I170-L221 HydrophobicContact CD1-CD2 4.47Å; I170-L221 HydrophobicContact CG1-CD2 4.33Å; I170-L221 HydrophobicContact CG2-CD2 4.06Å; L206-L221 HydrophobicContact CD1-CD1 3.46Å; L206-L221 VanDerWaalsContact CD1-CD1 3.46Å; L206-L221 HydrophobicContact CD1-CG 4.24Å; T217-L221 PolarHBondContact O-N 2.8Å; T217-L221 VanDerWaalsContact O-N 3.12Å; L218-L221 PolarHBondContact O-N 3.44Å; L221-E224 PolarHBondContact O-N 2.81Å; L221-A225 WeakPolarHBondContact O-CB 3.07Å; L221-A225 PolarHBondContact O-N 2.81Å |
| 222 | K | 82.8 | Confident | 76.7 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -48.5 | 173.2 | -73.3 | 176.5 | -174.4 | 169.6 | 0 | 111.1 | L153 L218 E219 A225 I226 D251 L253 | L153-K222 HydrophobicContact CD1-CG 3.83Å; L153-K222 HydrophobicContact CD2-CG 4.04Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 2.81Å; E219-K222 PolarHBondContact O-N 3.02Å; E219-K222 IonicContact OE1-NZ 3.73Å; E219-K222 PolarHBondContact OE1-NZ 2.85Å; K222-A225 PolarHBondContact O-N 3.24Å; K222-I226 WeakPolarHBondContact O-CB 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.24Å; K222-I226 WeakPolarHBondContact O-CG1 3.16Å; K222-I226 PolarHBondContact O-N 3.03Å; K222-D251 WeakPolarHBondContact CE-OD2 3.3Å; K222-D251 IonicContact NZ-OD2 3.73Å; K222-D251 PolarHBondContact NZ-OD2 3.13Å; K222-L253 HydrophobicContact CB-CD1 4.1Å; K222-L253 HydrophobicContact CG-CD1 4.11Å |
| 223 | F | 84.8 | Confident | 78.3 | Confident | 128 Ų | 128 | 54.2 Ų | 54.2 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | -178.7 | -169.5 | -99.4 | 0 | 0 | 0 | 111.9 | E219 T220 A225 I226 M227 | E219-F223 WeakPolarHBondContact O-CB 3.05Å; E219-F223 PolarHBondContact O-N 2.89Å; T220-F223 PolarHBondContact O-N 2.62Å; F223-A225 PolarHBondContact O-N 2.57Å; F223-I226 PolarHBondContact O-N 3.34Å; F223-M227 HydrophobicContact CD1-CG 3.82Å; F223-M227 HydrophobicContact CE1-CG 3.49Å; F223-M227 VanDerWaalsContact CE1-CG 3.49Å; F223-M227 HydrophobicContact CE1-SD 4.15Å; F223-M227 HydrophobicContact CE2-CG 4.28Å; F223-M227 HydrophobicContact CE2-SD 4.41Å; F223-M227 HydrophobicContact CG-CG 4.35Å; F223-M227 HydrophobicContact CZ-CG 3.74Å; F223-M227 HydrophobicContact CZ-SD 3.85Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 WeakPolarHBondContact O-CG 2.89Å; F223-M227 PolarHBondContact O-N 2.62Å |
| 224 | E | 84.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.9 | -83.7 | -79.9 | -160.4 | 0 | 0 | 111.6 | R169 T220 L221 I226 M227 M228 | R169-E224 IonicContact CZ-OE1 3.82Å; R169-E224 IonicContact NE-OE1 3.88Å; R169-E224 IonicContact NE-OE2 3.9Å; R169-E224 IonicContact NH2-OE1 2.92Å; R169-E224 PolarHBondContact NH2-OE1 3.32Å; R169-E224 IonicContact NH2-OE2 3.99Å; T220-E224 WeakPolarHBondContact O-CB 3.27Å; T220-E224 PolarHBondContact O-N 2.79Å; L221-E224 PolarHBondContact O-N 2.81Å; E224-I226 PolarHBondContact O-N 3.3Å; E224-M227 PolarHBondContact O-N 3.43Å; E224-M228 WeakPolarHBondContact O-CB 3.29Å; E224-M228 VanDerWaalsContact O-CG 3.28Å; E224-M228 WeakPolarHBondContact O-CG 3.4Å; E224-M228 PolarHBondContact O-N 2.87Å |
| 225 | A | 87 | Confident | 81.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I155 I166 L221 K222 F223 M228 A229 L253 F255 | I155-A225 HydrophobicContact CD1-CB 3.64Å; I166-A225 HydrophobicContact CD1-CB 4.34Å; L221-A225 WeakPolarHBondContact O-CB 3.07Å; L221-A225 PolarHBondContact O-N 2.81Å; K222-A225 PolarHBondContact O-N 3.24Å; F223-A225 PolarHBondContact O-N 2.57Å; A225-M228 PolarHBondContact O-N 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.04Å; A225-A229 PolarHBondContact O-N 3.08Å; A225-L253 HydrophobicContact CB-CD1 4.09Å; A225-F255 HydrophobicContact CB-CE2 4.42Å |
| 226 | I | 89.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 177.4 | -68 | 165.7 | 0 | 0 | 0 | 110.8 | K222 F223 E224 M228 A229 L230 L236 L253 F255 | K222-I226 WeakPolarHBondContact O-CB 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.24Å; K222-I226 WeakPolarHBondContact O-CG1 3.16Å; K222-I226 PolarHBondContact O-N 3.03Å; F223-I226 PolarHBondContact O-N 3.34Å; E224-I226 PolarHBondContact O-N 3.3Å; I226-M228 VanDerWaalsContact C-N 3.34Å; I226-M228 PolarHBondContact O-N 3.39Å; I226-A229 WeakPolarHBondContact O-CB 3.31Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-L230 HydrophobicContact CG2-CD1 3.87Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 2.95Å; I226-L230 PolarHBondContact O-N 2.95Å; I226-L236 HydrophobicContact CD1-CD2 4.24Å; I226-L236 HydrophobicContact CG1-CD2 4.42Å; I226-L253 HydrophobicContact CD1-CD1 4.43Å; I226-L253 HydrophobicContact CD1-CD2 4.18Å; I226-L253 HydrophobicContact CG1-CD1 4.1Å; I226-L253 HydrophobicContact CG1-CD2 4.38Å; I226-F255 HydrophobicContact CB-CZ 4.39Å; I226-F255 HydrophobicContact CG1-CE1 4.09Å; I226-F255 HydrophobicContact CG1-CZ 3.8Å |
| 227 | M | 89.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | -179.7 | -73.3 | -62.9 | -70.5 | 0 | 0 | 111.9 | F223 E224 K231 | F223-M227 HydrophobicContact CD1-CG 3.82Å; F223-M227 HydrophobicContact CE1-CG 3.49Å; F223-M227 VanDerWaalsContact CE1-CG 3.49Å; F223-M227 HydrophobicContact CE1-SD 4.15Å; F223-M227 HydrophobicContact CE2-CG 4.28Å; F223-M227 HydrophobicContact CE2-SD 4.41Å; F223-M227 HydrophobicContact CG-CG 4.35Å; F223-M227 HydrophobicContact CZ-CG 3.74Å; F223-M227 HydrophobicContact CZ-SD 3.85Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 WeakPolarHBondContact O-CG 2.89Å; F223-M227 PolarHBondContact O-N 2.62Å; E224-M227 PolarHBondContact O-N 3.43Å; M227-K231 WeakPolarHBondContact O-CB 3.06Å; M227-K231 VanDerWaalsContact O-CG 3.31Å; M227-K231 WeakPolarHBondContact O-CG 3.16Å; M227-K231 PolarHBondContact O-N 3.3Å |
| 228 | M | 89.6 | Confident | 85.4 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.4 | -73.5 | -175.4 | 72.9 | 0 | 0 | 112.1 | F162 K165 I166 R169 E224 A225 I226 K231 C232 | F162-M228 HydrophobicContact CE2-CB 4.16Å; K165-M228 HydrophobicContact CB-CE 4.27Å; I166-M228 HydrophobicContact CG1-CE 4.31Å; I166-M228 HydrophobicContact CG1-SD 4.23Å; R169-M228 HydrophobicContact CB-CE 3.85Å; R169-M228 HydrophobicContact CB-SD 3.66Å; R169-M228 HydrophobicContact CG-CE 4.25Å; R169-M228 HydrophobicContact CG-SD 3.53Å; R169-M228 VanDerWaalsContact CG-SD 3.53Å; E224-M228 WeakPolarHBondContact O-CB 3.29Å; E224-M228 VanDerWaalsContact O-CG 3.28Å; E224-M228 WeakPolarHBondContact O-CG 3.4Å; E224-M228 PolarHBondContact O-N 2.87Å; A225-M228 PolarHBondContact O-N 3.47Å; I226-M228 VanDerWaalsContact C-N 3.34Å; I226-M228 PolarHBondContact O-N 3.39Å; M228-K231 PolarHBondContact O-N 2.97Å; M228-C232 WeakPolarHBondContact O-CB 3.11Å; M228-C232 PolarHBondContact O-N 2.97Å; M228-C232 PolarHBondContact O-SG 3.06Å |
| 229 | A | 89.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -53.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F162 A225 I226 K231 C232 G233 F234 F255 | F162-A229 HydrophobicContact CE1-CB 4.1Å; F162-A229 HydrophobicContact CE2-CB 4.28Å; F162-A229 HydrophobicContact CZ-CB 3.47Å; F162-A229 VanDerWaalsContact CZ-CB 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.04Å; A225-A229 PolarHBondContact O-N 3.08Å; I226-A229 WeakPolarHBondContact O-CB 3.31Å; I226-A229 PolarHBondContact O-N 3.46Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 2.94Å; A229-C232 CarbonylContact O-C 3.49Å; A229-C232 WeakPolarHBondContact O-CA 3.33Å; A229-C232 PolarHBondContact O-N 3.03Å; A229-G233 PolarHBondContact O-N 2.64Å; A229-F234 HydrophobicContact CB-CB 3.97Å; A229-F234 WeakPolarHBondContact O-CB 3.21Å; A229-F234 PolarHBondContact O-N 3.44Å; A229-F255 HydrophobicContact CB-CD1 3.35Å; A229-F255 HydrophobicContact CB-CD2 4.34Å; A229-F255 HydrophobicContact CB-CE1 3.35Å; A229-F255 HydrophobicContact CB-CE2 4.33Å; A229-F255 HydrophobicContact CB-CG 3.86Å; A229-F255 HydrophobicContact CB-CZ 3.87Å |
| 230 | L | 89.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | -179.4 | -66.9 | 173.3 | 0 | 0 | 0 | 111.8 | I226 C232 G233 | I226-L230 HydrophobicContact CG2-CD1 3.87Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 2.95Å; I226-L230 PolarHBondContact O-N 2.95Å; L230-C232 VanDerWaalsContact C-N 3.26Å; L230-C232 PolarHBondContact O-N 2.89Å; L230-G233 PolarHBondContact O-N 3.11Å; L230-G233 VanDerWaalsContact O-N 3.07Å |
| 231 | K | 90 | Very high | 86.3 | Confident | 174 Ų | 174 | 63.7 Ų | 63.7 | 76% | 0.757 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 174.9 | -77.8 | 178.5 | 179.2 | 179.9 | 0 | 113.2 | M227 M228 A229 G233 | M227-K231 WeakPolarHBondContact O-CB 3.06Å; M227-K231 VanDerWaalsContact O-CG 3.31Å; M227-K231 WeakPolarHBondContact O-CG 3.16Å; M227-K231 PolarHBondContact O-N 3.3Å; M228-K231 PolarHBondContact O-N 2.97Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 2.94Å; K231-G233 VanDerWaalsContact C-N 3.26Å |
| 232 | C | 86.8 | Confident | 85.8 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5.7 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | F162 M228 A229 L230 F234 | F162-C232 HydrophobicContact CD2-CB 4.24Å; F162-C232 HydrophobicContact CE2-CB 4.33Å; M228-C232 WeakPolarHBondContact O-CB 3.11Å; M228-C232 PolarHBondContact O-N 2.97Å; M228-C232 PolarHBondContact O-SG 3.06Å; A229-C232 CarbonylContact O-C 3.49Å; A229-C232 WeakPolarHBondContact O-CA 3.33Å; A229-C232 PolarHBondContact O-N 3.03Å; L230-C232 VanDerWaalsContact C-N 3.26Å; L230-C232 PolarHBondContact O-N 2.89Å; C232-F234 HydrophobicContact CB-CD2 3.58Å; C232-F234 HydrophobicContact CB-CE2 3.67Å |
| 233 | G | 88.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 12.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A229 L230 K231 | A229-G233 PolarHBondContact O-N 2.64Å; L230-G233 PolarHBondContact O-N 3.11Å; L230-G233 VanDerWaalsContact O-N 3.07Å; K231-G233 VanDerWaalsContact C-N 3.26Å |
| 234 | F | 88.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | trans | -84.1 | 151.9 | 174.9 | -65.5 | -98.4 | 0 | 0 | 0 | 111.1 | C157 A159 F162 A229 C232 F255 I256 K257 | C157-F234 WeakPolarHBondContact SG-CE1 3.48Å; A159-F234 HydrophobicContact CB-CE1 3.4Å; A159-F234 VanDerWaalsContact CB-CE1 3.4Å; A159-F234 HydrophobicContact CB-CZ 3.41Å; A159-F234 VanDerWaalsContact CB-CZ 3.41Å; F162-F234 HydrophobicContact CB-CE2 3.93Å; F162-F234 HydrophobicContact CB-CZ 3.75Å; F162-F234 HydrophobicContact CD1-CE2 4.4Å; F162-F234 HydrophobicContact CD1-CZ 4.4Å; F162-F234 HydrophobicContact CD2-CD2 4.19Å; F162-F234 AromaticContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CE2-CD2 4.41Å; F162-F234 HydrophobicContact CG-CD2 4.26Å; F162-F234 AromaticContact CG-CE2 3.81Å; F162-F234 HydrophobicContact CG-CE2 3.81Å; F162-F234 AromaticContact CG-CZ 3.99Å; F162-F234 HydrophobicContact CG-CZ 3.99Å; A229-F234 HydrophobicContact CB-CB 3.97Å; A229-F234 WeakPolarHBondContact O-CB 3.21Å; A229-F234 PolarHBondContact O-N 3.44Å; C232-F234 HydrophobicContact CB-CD2 3.58Å; C232-F234 HydrophobicContact CB-CE2 3.67Å; F234-F255 HydrophobicContact CB-CB 4.31Å; F234-F255 HydrophobicContact CD1-CB 4.49Å; F234-I256 CarbonylContact C-O 3.54Å; F234-I256 VanDerWaalsContact CA-O 3.29Å; F234-I256 WeakPolarHBondContact CA-O 3.3Å; F234-I256 WeakPolarHBondContact CB-O 3.23Å; F234-K257 HydrophobicContact CD1-CB 3.81Å; F234-K257 HydrophobicContact CD1-CG 4.24Å; F234-K257 HydrophobicContact CE1-CB 3.7Å; F234-K257 HydrophobicContact CE1-CD 4.2Å; F234-K257 HydrophobicContact CE1-CG 4.07Å; F234-K257 HydrophobicContact CZ-CB 4.41Å; F234-K257 HydrophobicContact CZ-CD 4.08Å; F234-K257 HydrophobicContact CZ-CG 4.33Å | ||
| 235 | R | 89.3 | Confident | 81.9 | Confident | 186 Ų | 186 | 72.4 Ų | 72.4 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.7 | 172.7 | -68.8 | 177.2 | 161.9 | 166.7 | -4.7 | 110.1 | L237 F255 I256 | R235-L237 PolarHBondContact O-N 3.16Å; R235-F255 WeakPolarHBondContact O-CA 2.97Å; R235-I256 HydrophobicContact CB-CG1 4.32Å; R235-I256 PolarHBondContact N-O 2.9Å; R235-I256 PolarHBondContact O-N 3.4Å |
| 236 | L | 90.3 | Very high | 80.1 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.366 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113 | 171.7 | -178.6 | 65.8 | 0 | 0 | 0 | 108.6 | I226 T238 L253 F255 | I226-L236 HydrophobicContact CD1-CD2 4.24Å; I226-L236 HydrophobicContact CG1-CD2 4.42Å; L236-T238 WeakPolarHBondContact CD1-O 3.21Å; L236-L253 HydrophobicContact CD1-CB 4.35Å; L236-L253 HydrophobicContact CD1-CD2 3.95Å; L236-F255 HydrophobicContact CB-CD1 4.23Å; L236-F255 HydrophobicContact CB-CE1 4.05Å; L236-F255 HydrophobicContact CD1-CD1 3.97Å; L236-F255 HydrophobicContact CD1-CE1 3.52Å; L236-F255 HydrophobicContact CD1-CZ 3.99Å; L236-F255 HydrophobicContact CG-CE1 4.36Å |
| 237 | L | 87.3 | Confident | 78.5 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -49.1 | 177.9 | -178.7 | 64.9 | 0 | 0 | 0 | 111 | R235 H254 I256 | R235-L237 PolarHBondContact O-N 3.16Å; L237-H254 HydrophobicContact CB-CB 4.46Å; L237-H254 PolarHBondContact N-O 2.84Å; L237-I256 HydrophobicContact CB-CD1 4.45Å; L237-I256 HydrophobicContact CB-CG1 4.31Å; L237-I256 HydrophobicContact CB-CG2 4.28Å; L237-I256 HydrophobicContact CD1-CD1 4.15Å; L237-I256 HydrophobicContact CD2-CG2 4Å |
| 238 | T | 85.3 | Confident | 76.7 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 144.4 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | L236 H254 | L236-T238 WeakPolarHBondContact CD1-O 3.21Å; T238-H254 PolarHBondContact N-O 2.83Å; T238-H254 PolarHBondContact O-N 2.79Å; T238-H254 WeakPolarHBondContact OG1-CB 3.23Å |
| 239 | S | 87 | Confident | 75.3 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 49% | 0.49 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.9 | 168.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | A252 | S239-A252 CarbonylContact C-O 3.47Å; S239-A252 WeakPolarHBondContact CA-O 3.43Å |
| 240 | L | 80.6 | Confident | 74.4 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.1 | -179.2 | -159 | 73.7 | 0 | 0 | 0 | 108.9 | V248 D251 A252 | L240-V248 HydrophobicContact CD2-CB 3.59Å; L240-V248 HydrophobicContact CD2-CG1 3.45Å; L240-V248 VanDerWaalsContact CD2-CG1 3.45Å; L240-V248 HydrophobicContact CD2-CG2 3.77Å; L240-V248 HydrophobicContact CG-CB 4.4Å; L240-V248 HydrophobicContact CG-CG2 4.5Å; L240-D251 WeakPolarHBondContact O-CA 3.48Å; L240-A252 HydrophobicContact CB-CB 4.03Å; L240-A252 HydrophobicContact CD2-CB 4.4Å; L240-A252 PolarHBondContact N-O 2.92Å; L240-A252 PolarHBondContact O-N 3.39Å; L240-A252 VanDerWaalsContact O-N 3.13Å |
| 241 | D | 74.6 | Confident | 73.9 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 28% | 0.278 | 45% | 0.452 | S | S | . | . | trans | -123 | 117.2 | -176.5 | 179.6 | -3.8 | 0 | 0 | 0 | 108.9 | S243 | D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.49Å; D241-S243 PolarHBondContact OD1-OG 2.82Å; D241-S243 PolarHBondContact OD2-OG 3.05Å; D241-S243 VanDerWaalsContact OD2-OG 3.06Å | ||
| 242 | C | 67.8 | Low | 73.7 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -75 | -11.2 | -178.4 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | K244 D251 | C242-K244 VanDerWaalsContact C-N 3.31Å; C242-K244 PolarHBondContact O-N 2.71Å; C242-D251 WeakPolarHBondContact CB-OD1 3.18Å; C242-D251 PolarHBondContact N-OD1 2.6Å; C242-D251 PolarHBondContact SG-OD1 3.08Å |
| 243 | S | 62.3 | Low | 73.8 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 58% | 0.58 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.7 | -176.3 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | D241 | D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.49Å; D241-S243 PolarHBondContact OD1-OG 2.82Å; D241-S243 PolarHBondContact OD2-OG 3.05Å; D241-S243 VanDerWaalsContact OD2-OG 3.06Å |
| 244 | K | 56.6 | Low | 73.8 | Confident | 179 Ų | 179 | 72 Ų | 72 | 78% | 0.778 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -113.2 | 46.9 | -173.3 | -61.4 | -170.5 | -177.6 | 177.5 | 0 | 114.3 | C242 S246 | C242-K244 VanDerWaalsContact C-N 3.31Å; C242-K244 PolarHBondContact O-N 2.71Å; K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.06Å |
| 245 | G | 50.3 | Low | 73.9 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 84% | 0.835 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 71.8 | 24.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 246 | S | 50.9 | Low | 73.8 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | trans | -73 | 140.5 | 173.9 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | K244 V248 | K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.06Å; S246-V248 PolarHBondContact O-N 2.81Å; S246-V248 VanDerWaalsContact O-N 3.16Å; S246-V248 WeakPolarHBondContact OG-CG2 3.32Å; S246-V248 PolarHBondContact OG-N 2.79Å | ||
| 247 | I | 54.1 | Low | 73.3 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 81% | 0.81 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -66.1 | -11.8 | 172.1 | -62.6 | 165.2 | 0 | 0 | 0 | 111 | ||
| 248 | V | 53 | Low | 72.6 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | trans | -89.5 | 127.1 | -168 | -161.8 | 0 | 0 | 0 | 0 | 110.4 | L240 S246 S250 | L240-V248 HydrophobicContact CD2-CB 3.59Å; L240-V248 HydrophobicContact CD2-CG1 3.45Å; L240-V248 VanDerWaalsContact CD2-CG1 3.45Å; L240-V248 HydrophobicContact CD2-CG2 3.77Å; L240-V248 HydrophobicContact CG-CB 4.4Å; L240-V248 HydrophobicContact CG-CG2 4.5Å; S246-V248 PolarHBondContact O-N 2.81Å; S246-V248 VanDerWaalsContact O-N 3.16Å; S246-V248 WeakPolarHBondContact OG-CG2 3.32Å; S246-V248 PolarHBondContact OG-N 2.79Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.08Å | ||
| 249 | H | 60.3 | Low | 72 | Confident | 147 Ų | 147 | 70.5 Ų | 70.5 | 68% | 0.681 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -71.7 | -25.5 | -169.2 | -68.7 | -67.9 | 0 | 0 | 0 | 113.8 | S150 | S150-H249 CarbonylContact C-O 3.44Å; S150-H249 CarbonylContact O-C 3.58Å; S150-H249 VanDerWaalsContact O-C 3.28Å |
| 250 | S | 69.4 | Low | 71.1 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -131 | 156.3 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 113 | S150 G152 V248 | S150-S250 VanDerWaalsContact O-CA 3.3Å; S150-S250 WeakPolarHBondContact O-CA 3.29Å; S150-S250 VanDerWaalsContact O-CB 3.23Å; S150-S250 WeakPolarHBondContact O-CB 3.48Å; G152-S250 WeakPolarHBondContact O-CB 3.39Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.08Å |
| 251 | D | 79.2 | Confident | 70.6 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145.7 | 176 | -74.7 | -8.8 | 0 | 0 | 0 | 110.7 | G152 L153 R154 L218 K222 L240 C242 | G152-D251 PolarHBondContact O-N 2.75Å; L153-D251 CarbonylContact C-O 3.44Å; L153-D251 WeakPolarHBondContact CA-O 3.47Å; L153-D251 HydrophobicContact CD1-CB 3.95Å; R154-D251 PolarHBondContact N-O 2.94Å; L218-D251 HydrophobicContact CD2-CB 4.3Å; L218-D251 WeakPolarHBondContact CD2-OD2 3.25Å; K222-D251 WeakPolarHBondContact CE-OD2 3.3Å; K222-D251 IonicContact NZ-OD2 3.73Å; K222-D251 PolarHBondContact NZ-OD2 3.13Å; L240-D251 WeakPolarHBondContact O-CA 3.48Å; C242-D251 WeakPolarHBondContact CB-OD1 3.18Å; C242-D251 PolarHBondContact N-OD1 2.6Å; C242-D251 PolarHBondContact SG-OD1 3.08Å |
| 252 | A | 85.9 | Confident | 70.3 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 12% | 0.116 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R154 F156 S239 L240 | R154-A252 HydrophobicContact CB-CB 4.38Å; R154-A252 CarbonylContact O-C 3.6Å; R154-A252 WeakPolarHBondContact O-CA 3.26Å; F156-A252 HydrophobicContact CE2-CB 4.21Å; S239-A252 CarbonylContact C-O 3.47Å; S239-A252 WeakPolarHBondContact CA-O 3.43Å; L240-A252 HydrophobicContact CB-CB 4.03Å; L240-A252 HydrophobicContact CD2-CB 4.4Å; L240-A252 PolarHBondContact N-O 2.92Å; L240-A252 PolarHBondContact O-N 3.39Å; L240-A252 VanDerWaalsContact O-N 3.13Å |
| 253 | L | 88.6 | Confident | 70.5 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.5 | 170.6 | -63 | 174 | 0 | 0 | 0 | 108.6 | L153 R154 I155 F156 K222 A225 I226 L236 F255 | L153-L253 HydrophobicContact CD1-CD1 4.41Å; L153-L253 HydrophobicContact CD1-CG 4.26Å; R154-L253 PolarHBondContact O-N 3.34Å; I155-L253 CarbonylContact C-O 3.46Å; I155-L253 WeakPolarHBondContact CA-O 3.49Å; I155-L253 HydrophobicContact CG1-CB 4.5Å; F156-L253 PolarHBondContact N-O 3.43Å; K222-L253 HydrophobicContact CB-CD1 4.1Å; K222-L253 HydrophobicContact CG-CD1 4.11Å; A225-L253 HydrophobicContact CB-CD1 4.09Å; I226-L253 HydrophobicContact CD1-CD1 4.43Å; I226-L253 HydrophobicContact CD1-CD2 4.18Å; I226-L253 HydrophobicContact CG1-CD1 4.1Å; I226-L253 HydrophobicContact CG1-CD2 4.38Å; L236-L253 HydrophobicContact CD1-CB 4.35Å; L236-L253 HydrophobicContact CD1-CD2 3.95Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.74Å; L253-F255 HydrophobicContact CB-CZ 4.02Å; L253-F255 HydrophobicContact CD1-CE2 4.19Å; L253-F255 HydrophobicContact CD1-CZ 4.04Å |
| 254 | H | 89.3 | Confident | 71.1 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 29% | 0.292 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.3 | 173.7 | -168.8 | 174.3 | 0 | 0 | 0 | 109.7 | F156 L237 T238 | F156-H254 HydrophobicContact CB-CB 4.41Å; F156-H254 WeakPolarHBondContact O-CA 3.4Å; L237-H254 HydrophobicContact CB-CB 4.46Å; L237-H254 PolarHBondContact N-O 2.84Å; T238-H254 PolarHBondContact N-O 2.83Å; T238-H254 PolarHBondContact O-N 2.79Å; T238-H254 WeakPolarHBondContact OG1-CB 3.23Å |
| 255 | F | 89.6 | Confident | 72.2 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.9 | 177.1 | -59.8 | -73.6 | 0 | 0 | 0 | 112 | I155 F156 C157 F162 A225 I226 A229 F234 R235 L236 L253 | I155-F255 HydrophobicContact CG2-CD2 3.81Å; I155-F255 HydrophobicContact CG2-CE2 3.76Å; F156-F255 PolarHBondContact O-N 3.4Å; C157-F255 HydrophobicContact CB-CB 4.26Å; C157-F255 PolarHBondContact SG-O 3.16Å; C157-F255 VanDerWaalsContact SG-O 3.39Å; F162-F255 HydrophobicContact CE1-CB 4.42Å; F162-F255 HydrophobicContact CE1-CD2 4.03Å; F162-F255 HydrophobicContact CE1-CG 4.32Å; A225-F255 HydrophobicContact CB-CE2 4.42Å; I226-F255 HydrophobicContact CB-CZ 4.39Å; I226-F255 HydrophobicContact CG1-CE1 4.09Å; I226-F255 HydrophobicContact CG1-CZ 3.8Å; A229-F255 HydrophobicContact CB-CD1 3.35Å; A229-F255 HydrophobicContact CB-CD2 4.34Å; A229-F255 HydrophobicContact CB-CE1 3.35Å; A229-F255 HydrophobicContact CB-CE2 4.33Å; A229-F255 HydrophobicContact CB-CG 3.86Å; A229-F255 HydrophobicContact CB-CZ 3.87Å; F234-F255 HydrophobicContact CB-CB 4.31Å; F234-F255 HydrophobicContact CD1-CB 4.49Å; R235-F255 WeakPolarHBondContact O-CA 2.97Å; L236-F255 HydrophobicContact CB-CD1 4.23Å; L236-F255 HydrophobicContact CB-CE1 4.05Å; L236-F255 HydrophobicContact CD1-CD1 3.97Å; L236-F255 HydrophobicContact CD1-CE1 3.52Å; L236-F255 HydrophobicContact CD1-CZ 3.99Å; L236-F255 HydrophobicContact CG-CE1 4.36Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.74Å; L253-F255 HydrophobicContact CB-CZ 4.02Å; L253-F255 HydrophobicContact CD1-CE2 4.19Å; L253-F255 HydrophobicContact CD1-CZ 4.04Å |
| 256 | I | 86.9 | Confident | 74 | Confident | 68 Ų | 68 | 64.4 Ų | 64.4 | 35% | 0.349 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.3 | 171.7 | 60.9 | 171.2 | 0 | 0 | 0 | 109.3 | F234 R235 L237 | F234-I256 CarbonylContact C-O 3.54Å; F234-I256 VanDerWaalsContact CA-O 3.29Å; F234-I256 WeakPolarHBondContact CA-O 3.3Å; F234-I256 WeakPolarHBondContact CB-O 3.23Å; R235-I256 HydrophobicContact CB-CG1 4.32Å; R235-I256 PolarHBondContact N-O 2.9Å; R235-I256 PolarHBondContact O-N 3.4Å; L237-I256 HydrophobicContact CB-CD1 4.45Å; L237-I256 HydrophobicContact CB-CG1 4.31Å; L237-I256 HydrophobicContact CB-CG2 4.28Å; L237-I256 HydrophobicContact CD1-CD1 4.15Å; L237-I256 HydrophobicContact CD2-CG2 4Å |
| 257 | K | 81.3 | Confident | 76.1 | Confident | 197 Ų | 197 | 66.2 Ų | 66.2 | 86% | 0.857 | 33% | 0.327 | S | S | * | . | trans | -85.5 | 0 | 176.6 | -160.1 | 170.5 | -177.1 | 179.3 | 0 | 110.8 | F234 | F234-K257 HydrophobicContact CD1-CB 3.81Å; F234-K257 HydrophobicContact CD1-CG 4.24Å; F234-K257 HydrophobicContact CE1-CB 3.7Å; F234-K257 HydrophobicContact CE1-CD 4.2Å; F234-K257 HydrophobicContact CE1-CG 4.07Å; F234-K257 HydrophobicContact CZ-CB 4.41Å; F234-K257 HydrophobicContact CZ-CD 4.08Å; F234-K257 HydrophobicContact CZ-CG 4.33Å |
Retrieved 257 of 257 residues in 331 ms
(Link to these results)