| 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 | 37.9 | Very low | 36.9 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 100% | 1.227 | 84% | 0.842 | S | S | * | * | 0 | 101.5 | 0 | -67.3 | 169.2 | -163 | 0 | 0 | 107.6 | |||||
| 2 | K | 34.4 | Very low | 37 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 84% | 0.844 | S | S | * | * | trans | -91 | 112 | 177.4 | -79 | -174.6 | 175.6 | -179.3 | 0 | 108.3 | T4 | K2-T4 VanDerWaalsContact C-N 3.34Å; K2-T4 PolarHBondContact O-N 3.23Å | ||
| 3 | A | 37.8 | Very low | 36.8 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -78.1 | 86.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A5 | A3-A5 PolarHBondContact O-N 2.96Š| ||
| 4 | T | 38 | Very low | 36.7 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -92.3 | 81.1 | 167.7 | -52.5 | 0 | 0 | 0 | 0 | 107.5 | K2 | K2-T4 VanDerWaalsContact C-N 3.34Å; K2-T4 PolarHBondContact O-N 3.23Å | ||
| 5 | A | 39 | Very low | 37 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -126 | 59.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A3 | A3-A5 PolarHBondContact O-N 2.96Š| ||
| 6 | A | 37.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -138.9 | 58.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | Q | 33.1 | Very low | 37.1 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -156.1 | 46.3 | 168.8 | -132.4 | 176.2 | -12.5 | 0 | 0 | 112.5 | N9 | Q7-N9 VanDerWaalsContact C-N 3.3Å; Q7-N9 PolarHBondContact O-N 3.14Å | ||
| 8 | N | 36 | Very low | 37.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -92.4 | 50.4 | 171.3 | -105.6 | 3.5 | 0 | 0 | 0 | 111 | ||||
| 9 | N | 38.6 | Very low | 37 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 44.8 | -178 | -160.4 | 37.1 | 0 | 0 | 0 | 116.1 | Q7 | Q7-N9 VanDerWaalsContact C-N 3.3Å; Q7-N9 PolarHBondContact O-N 3.14Å | ||
| 10 | S | 38.8 | Very low | 37.2 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -145.7 | -1.6 | 168.9 | 57 | 0 | 0 | 0 | 0 | 117.1 | ||
| 11 | T | 34.4 | Very low | 37.1 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -93.8 | 13.9 | -179 | 26.9 | 0 | 0 | 0 | 0 | 115.5 | A13 | T11-A13 PolarHBondContact O-N 3.35Š| ||
| 12 | H | 38.2 | Very low | 37 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 19.4 | 161.8 | -76.5 | -119.2 | 0 | 0 | 0 | 112.4 | S14 | H12-S14 VanDerWaalsContact C-N 3.33Å; H12-S14 PolarHBondContact O-N 2.92Å | ||
| 13 | A | 35 | Very low | 37.2 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 32.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T11 | T11-A13 PolarHBondContact O-N 3.35Š|
| 14 | S | 34.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -7.9 | 179 | 84.8 | 0 | 0 | 0 | 0 | 115.6 | H12 | H12-S14 VanDerWaalsContact C-N 3.33Å; H12-S14 PolarHBondContact O-N 2.92Å |
| 15 | V | 42 | Very low | 37 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -14.3 | -175 | -169 | 0 | 0 | 0 | 0 | 113.5 | ||
| 16 | A | 40.6 | Very low | 37 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 0.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 17 | T | 35.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -119.7 | 55.9 | -177.3 | -40.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 18 | K | 38 | Very low | 37.3 | Very low | 209 Ų | 209 | 139 Ų | 139 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -114.7 | 47.9 | 152.2 | -70.1 | -165.3 | -177.6 | -175.6 | 0 | 110.2 | ||||
| 19 | N | 34.4 | Very low | 37.5 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -93.1 | 84.9 | 165.1 | -172.8 | -0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | S | 40.7 | Very low | 37.5 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -173.6 | 120.5 | 153.5 | 24 | 0 | 0 | 0 | 0 | 109.1 | ||
| 21 | N | 35.3 | Very low | 37.7 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 105.2 | 15.4 | 158.3 | -48.6 | -24.5 | 0 | 0 | 0 | 120.5 | ||
| 22 | Y | 35.6 | Very low | 38.3 | Very low | 221 Ų | 221 | 135.6 Ų | 135.6 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | -123.7 | 73.6 | 167.9 | -72.5 | -83 | 0 | 0 | 0 | 112.5 | G24 | Y22-G24 PolarHBondContact O-N 2.82Š| ||
| 23 | R | 37.5 | Very low | 38.7 | Very low | 253 Ų | 253 | 133.4 Ų | 133.4 | 96% | 0.955 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 20.3 | 174.6 | -102.5 | -174.6 | 86.9 | -158.5 | 7.3 | 114.5 | ||
| 24 | G | 36.7 | Very low | 39.3 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -6.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | Y22 | Y22-G24 PolarHBondContact O-N 2.82Š|
| 25 | A | 36 | Very low | 39.8 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | -132.1 | 35.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y27 | A25-Y27 PolarHBondContact O-N 3.21Š| ||
| 26 | T | 38 | Very low | 40.3 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 18.6 | -172.1 | -26.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 27 | Y | 39.7 | Very low | 40.9 | Very low | 214 Ų | 214 | 126.7 Ų | 126.7 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | 19.1 | -171.6 | -72.2 | -68.9 | 0 | 0 | 0 | 117.9 | A25 | A25-Y27 PolarHBondContact O-N 3.21Š|
| 28 | I | 38.6 | Very low | 41.7 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -140.8 | 102.3 | 174.6 | -28 | 178.5 | 0 | 0 | 0 | 109.4 | ||
| 29 | F | 39.5 | Very low | 42.5 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 66% | 0.658 | 66% | 0.661 | S | S | * | * | trans | 80.9 | 73.3 | 174.6 | -41.7 | -63.7 | 0 | 0 | 0 | 116 | K31 | F29-K31 HydrophobicContact CB-CB 4.15Å; F29-K31 HydrophobicContact CB-CD 3.98Å; F29-K31 HydrophobicContact CB-CG 3.83Å; F29-K31 HydrophobicContact CD1-CD 3.81Å; F29-K31 VanDerWaalsContact CD1-CE 3.44Å; F29-K31 HydrophobicContact CD1-CG 4.12Å; F29-K31 HydrophobicContact CG-CD 4.07Å; F29-K31 HydrophobicContact CG-CG 4.34Å; F29-K31 PolarHBondContact O-N 3.34Å | ||
| 30 | D | 39.6 | Very low | 43.3 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | trans | -65.7 | 60 | 137.7 | -88.7 | -24.8 | 0 | 0 | 0 | 108.5 | A32 | D30-A32 PolarHBondContact O-N 2.84Š| ||
| 31 | K | 41.5 | Very low | 44.3 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 34% | 0.335 | 65% | 0.651 | S | S | . | * | trans | -80.7 | 103.5 | 165.1 | -80.4 | 178.2 | 173.9 | -168.1 | 0 | 104.4 | F29 I33 I58 | F29-K31 HydrophobicContact CB-CB 4.15Å; F29-K31 HydrophobicContact CB-CD 3.98Å; F29-K31 HydrophobicContact CB-CG 3.83Å; F29-K31 HydrophobicContact CD1-CD 3.81Å; F29-K31 VanDerWaalsContact CD1-CE 3.44Å; F29-K31 HydrophobicContact CD1-CG 4.12Å; F29-K31 HydrophobicContact CG-CD 4.07Å; F29-K31 HydrophobicContact CG-CG 4.34Å; F29-K31 PolarHBondContact O-N 3.34Å; K31-I33 HydrophobicContact CB-CG1 4.34Å; K31-I33 PolarHBondContact O-N 3.32Å; K31-I58 HydrophobicContact CB-CG2 4.19Å; K31-I58 HydrophobicContact CD-CG2 3.59Å; K31-I58 HydrophobicContact CG-CG2 3.76Å | ||
| 32 | A | 47.1 | Very low | 45.2 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.2 | 95.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | D30 G34 G59 | D30-A32 PolarHBondContact O-N 2.84Å; A32-G34 VanDerWaalsContact C-N 3.33Å; A32-G34 PolarHBondContact O-N 3.11Å; A32-G34 VanDerWaalsContact O-N 3.11Å; A32-G59 PolarHBondContact O-N 3.42Å |
| 33 | I | 47.1 | Very low | 46.5 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 72% | 0.723 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78 | 93.3 | 170.7 | -59.9 | 171.2 | 0 | 0 | 0 | 105.1 | K31 | K31-I33 HydrophobicContact CB-CG1 4.34Å; K31-I33 PolarHBondContact O-N 3.32Å |
| 34 | G | 46.9 | Very low | 48 | Very low | 39 Ų | 39 | 103.8 Ų | 103.8 | 40% | 0.402 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 140.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A32 F57 | A32-G34 VanDerWaalsContact C-N 3.33Å; A32-G34 PolarHBondContact O-N 3.11Å; A32-G34 VanDerWaalsContact O-N 3.11Å; G34-F57 PolarHBondContact N-O 3.28Å; G34-F57 PolarHBondContact O-N 3.38Å; G34-F57 VanDerWaalsContact O-O 3.12Å |
| 35 | G | 46.4 | Very low | 50.1 | Low | 51 Ų | 51 | 103.9 Ų | 103.9 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 135 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E55 | G35-E55 CarbonylContact C-O 3.55Å; G35-E55 VanDerWaalsContact CA-O 3.23Å; G35-E55 WeakPolarHBondContact CA-O 3.37Å |
| 36 | I | 52 | Low | 52 | Low | 76 Ų | 76 | 105 Ų | 105 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.2 | 169.1 | -52.5 | 175 | 0 | 0 | 0 | 107.3 | Y38 E55 F57 | I36-Y38 HydrophobicContact CB-CE2 3.91Å; I36-Y38 HydrophobicContact CG2-CD1 4.33Å; I36-Y38 HydrophobicContact CG2-CD2 4.03Å; I36-Y38 HydrophobicContact CG2-CE1 3.82Å; I36-Y38 HydrophobicContact CG2-CE2 3.48Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.48Å; I36-Y38 HydrophobicContact CG2-CG 4.43Å; I36-E55 PolarHBondContact N-O 2.99Å; I36-E55 PolarHBondContact O-N 3Å; I36-F57 HydrophobicContact CD1-CE2 4Å; I36-F57 HydrophobicContact CG1-CE2 4.15Å |
| 37 | V | 53.6 | Low | 53.3 | Low | 97 Ų | 97 | 104.7 Ų | 104.7 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 108.7 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 108 | V54 | V37-V54 HydrophobicContact CG1-CG2 4.46Å; V37-V54 HydrophobicContact CG2-CG2 4.35Å |
| 38 | Y | 52.8 | Low | 54.5 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 46% | 0.459 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.5 | 171.7 | -59 | -83.1 | 0 | 0 | 0 | 108.5 | I36 S52 K53 E55 | I36-Y38 HydrophobicContact CB-CE2 3.91Å; I36-Y38 HydrophobicContact CG2-CD1 4.33Å; I36-Y38 HydrophobicContact CG2-CD2 4.03Å; I36-Y38 HydrophobicContact CG2-CE1 3.82Å; I36-Y38 HydrophobicContact CG2-CE2 3.48Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.48Å; I36-Y38 HydrophobicContact CG2-CG 4.43Å; Y38-S52 CarbonylContact O-C 3.52Å; Y38-S52 VanDerWaalsContact O-CA 3.3Å; Y38-S52 WeakPolarHBondContact O-CA 3.23Å; Y38-K53 PolarHBondContact N-O 2.93Å; Y38-K53 PolarHBondContact O-N 2.88Å; Y38-E55 HydrophobicContact CE2-CG 4.39Å |
| 39 | A | 53.4 | Low | 55.4 | Low | 82 Ų | 82 | 98 Ų | 98 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 131.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G51 | A39-G51 WeakPolarHBondContact CA-O 3.07Å |
| 40 | S | 52.4 | Low | 56.5 | Low | 73 Ų | 73 | 96.3 Ų | 96.3 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.6 | 169.9 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | G51 | S40-G51 PolarHBondContact N-O 3.41Å; S40-G51 PolarHBondContact O-N 3.17Å |
| 41 | F | 60.2 | Low | 57.1 | Low | 152 Ų | 152 | 90.2 Ų | 90.2 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.1 | 171.8 | 59.8 | -87.4 | 0 | 0 | 0 | 109 | I43 V48 F49 | F41-I43 HydrophobicContact CD2-CD1 4.25Å; F41-I43 HydrophobicContact CD2-CG1 4.17Å; F41-I43 HydrophobicContact CE2-CD1 4.38Å; F41-V48 HydrophobicContact CB-CG1 4.43Å; F41-F49 CarbonylContact C-O 3.59Å; F41-F49 VanDerWaalsContact CA-O 3.25Å; F41-F49 WeakPolarHBondContact CA-O 3.3Å |
| 42 | I | 55.3 | Low | 57.8 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.3 | 171.1 | -65.3 | 163.9 | 0 | 0 | 0 | 106.8 | F49 | I42-F49 PolarHBondContact N-O 2.84Å; I42-F49 PolarHBondContact O-N 3.34Å |
| 43 | I | 62.7 | Low | 57.6 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.4 | 176.2 | -53.5 | 177.4 | 0 | 0 | 0 | 107.3 | F41 V48 | F41-I43 HydrophobicContact CD2-CD1 4.25Å; F41-I43 HydrophobicContact CD2-CG1 4.17Å; F41-I43 HydrophobicContact CE2-CD1 4.38Å; I43-V48 HydrophobicContact CG1-CG2 4.4Å |
| 44 | A | 69.3 | Low | 57.9 | Low | 56 Ų | 56 | 91.5 Ų | 91.5 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 99.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109 | A46 I47 F49 | A44-A46 PolarHBondContact O-N 2.83Å; A44-I47 PolarHBondContact N-O 3.24Å; A44-I47 PolarHBondContact O-N 2.86Å; A44-F49 HydrophobicContact CB-CE2 4.16Å |
| 45 | G | 80.3 | Confident | 58 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 78% | 0.784 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | -119.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 46 | A | 75.9 | Confident | 58.3 | Low | 107 Ų | 107 | 92.8 Ų | 92.8 | 88% | 0.884 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 1.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A44 | A44-A46 PolarHBondContact O-N 2.83Š|
| 47 | I | 64.5 | Low | 58.5 | Low | 102 Ų | 102 | 93.3 Ų | 93.3 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.2 | -175 | -52.9 | 175 | 0 | 0 | 0 | 109.7 | A44 F49 | A44-I47 PolarHBondContact N-O 3.24Å; A44-I47 PolarHBondContact O-N 2.86Å; I47-F49 HydrophobicContact CB-CE2 3.89Å; I47-F49 HydrophobicContact CB-CZ 4.16Å; I47-F49 HydrophobicContact CG2-CD2 4.11Å; I47-F49 HydrophobicContact CG2-CE1 4.01Å; I47-F49 HydrophobicContact CG2-CE2 3.48Å; I47-F49 VanDerWaalsContact CG2-CE2 3.48Å; I47-F49 HydrophobicContact CG2-CZ 3.43Å; I47-F49 VanDerWaalsContact CG2-CZ 3.43Å |
| 48 | V | 64.5 | Low | 58.5 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.6 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | F41 I43 V50 | F41-V48 HydrophobicContact CB-CG1 4.43Å; I43-V48 HydrophobicContact CG1-CG2 4.4Å; V48-V50 HydrophobicContact CG1-CG2 4.22Å |
| 49 | F | 57.9 | Low | 58.3 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.4 | 174.3 | -59.8 | -90 | 0 | 0 | 0 | 108.7 | F41 I42 A44 I47 | F41-F49 CarbonylContact C-O 3.59Å; F41-F49 VanDerWaalsContact CA-O 3.25Å; F41-F49 WeakPolarHBondContact CA-O 3.3Å; I42-F49 PolarHBondContact N-O 2.84Å; I42-F49 PolarHBondContact O-N 3.34Å; A44-F49 HydrophobicContact CB-CE2 4.16Å; I47-F49 HydrophobicContact CB-CE2 3.89Å; I47-F49 HydrophobicContact CB-CZ 4.16Å; I47-F49 HydrophobicContact CG2-CD2 4.11Å; I47-F49 HydrophobicContact CG2-CE1 4.01Å; I47-F49 HydrophobicContact CG2-CE2 3.48Å; I47-F49 VanDerWaalsContact CG2-CE2 3.48Å; I47-F49 HydrophobicContact CG2-CZ 3.43Å; I47-F49 VanDerWaalsContact CG2-CZ 3.43Å |
| 50 | V | 63.7 | Low | 58.2 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 70% | 0.703 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.1 | 177 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | V48 | V48-V50 HydrophobicContact CG1-CG2 4.22Å |
| 51 | G | 51.7 | Low | 57.8 | Low | 34 Ų | 34 | 94.7 Ų | 94.7 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | A39 S40 | A39-G51 WeakPolarHBondContact CA-O 3.07Å; S40-G51 PolarHBondContact N-O 3.41Å; S40-G51 PolarHBondContact O-N 3.17Å |
| 52 | S | 55.2 | Low | 57.1 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.2 | 168.4 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | Y38 | Y38-S52 CarbonylContact O-C 3.52Å; Y38-S52 VanDerWaalsContact O-CA 3.3Å; Y38-S52 WeakPolarHBondContact O-CA 3.23Å |
| 53 | K | 44.5 | Very low | 56.5 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104 | 122.2 | 167.5 | -167.9 | -173.7 | -174 | -164.5 | 0 | 108.1 | Y38 E55 | Y38-K53 PolarHBondContact N-O 2.93Å; Y38-K53 PolarHBondContact O-N 2.88Å; K53-E55 HydrophobicContact CD-CG 4.38Å; K53-E55 WeakPolarHBondContact CE-OE1 3.25Å; K53-E55 HydrophobicContact CG-CG 4.41Å; K53-E55 IonicContact NZ-OE1 2.63Å; K53-E55 PolarHBondContact NZ-OE1 3.24Å |
| 54 | V | 53.5 | Low | 55.4 | Low | 103 Ų | 103 | 101 Ų | 101 | 62% | 0.624 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 119 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | V37 | V37-V54 HydrophobicContact CG1-CG2 4.46Å; V37-V54 HydrophobicContact CG2-CG2 4.35Å |
| 55 | E | 48.2 | Very low | 53.8 | Low | 55 Ų | 55 | 103.2 Ų | 103.2 | 26% | 0.257 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 114 | 172.5 | -65.2 | -177.4 | 179.8 | 0 | 0 | 108.2 | G35 I36 Y38 K53 F57 | G35-E55 CarbonylContact C-O 3.55Å; G35-E55 VanDerWaalsContact CA-O 3.23Å; G35-E55 WeakPolarHBondContact CA-O 3.37Å; I36-E55 PolarHBondContact N-O 2.99Å; I36-E55 PolarHBondContact O-N 3Å; Y38-E55 HydrophobicContact CE2-CG 4.39Å; K53-E55 HydrophobicContact CD-CG 4.38Å; K53-E55 WeakPolarHBondContact CE-OE1 3.25Å; K53-E55 HydrophobicContact CG-CG 4.41Å; K53-E55 IonicContact NZ-OE1 2.63Å; K53-E55 PolarHBondContact NZ-OE1 3.24Å; E55-F57 HydrophobicContact CB-CE2 3.7Å; E55-F57 HydrophobicContact CB-CZ 3.94Å |
| 56 | G | 52.2 | Low | 51.9 | Low | 63 Ų | 63 | 107.2 Ų | 107.2 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 129 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 57 | F | 56.3 | Low | 50.1 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 38% | 0.382 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.6 | 175 | -57.1 | -87.3 | 0 | 0 | 0 | 109 | G34 I36 E55 | G34-F57 PolarHBondContact N-O 3.28Å; G34-F57 PolarHBondContact O-N 3.38Å; G34-F57 VanDerWaalsContact O-O 3.12Å; I36-F57 HydrophobicContact CD1-CE2 4Å; I36-F57 HydrophobicContact CG1-CE2 4.15Å; E55-F57 HydrophobicContact CB-CE2 3.7Å; E55-F57 HydrophobicContact CB-CZ 3.94Å |
| 58 | I | 53 | Low | 48.7 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 100 | 169.5 | -60.8 | 172.7 | 0 | 0 | 0 | 105.7 | K31 L60 | K31-I58 HydrophobicContact CB-CG2 4.19Å; K31-I58 HydrophobicContact CD-CG2 3.59Å; K31-I58 HydrophobicContact CG-CG2 3.76Å; I58-L60 HydrophobicContact CG2-CD2 4.2Å; I58-L60 PolarHBondContact O-N 3.35Å |
| 59 | G | 49.5 | Very low | 47.2 | Very low | 40 Ų | 40 | 113.8 Ų | 113.8 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.5 | 114.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A32 | A32-G59 PolarHBondContact O-N 3.42Å |
| 60 | L | 51.6 | Low | 46.2 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | trans | -84.3 | 117.6 | 162.3 | -61.9 | 177.4 | 0 | 0 | 0 | 105.7 | I58 E62 | I58-L60 HydrophobicContact CG2-CD2 4.2Å; I58-L60 PolarHBondContact O-N 3.35Å; L60-E62 PolarHBondContact O-N 3.08Å; L60-E62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | D | 44.2 | Very low | 45 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | -46.1 | 117.6 | 179.7 | -172.6 | 7.7 | 0 | 0 | 0 | 110.9 | N63 | D61-N63 PolarHBondContact O-N 3.27Š| ||
| 62 | E | 44.2 | Very low | 44.3 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -73.7 | 23.9 | -167.5 | -74.4 | 176.6 | 171.7 | 0 | 0 | 113.9 | L60 R64 Q68 | L60-E62 PolarHBondContact O-N 3.08Å; L60-E62 VanDerWaalsContact O-N 3.14Å; E62-R64 PolarHBondContact O-N 2.63Å; E62-Q68 VanDerWaalsContact OE1-CD 3.31Å; E62-Q68 PolarHBondContact OE1-NE2 2.83Å; E62-Q68 PolarHBondContact OE2-NE2 2.87Å |
| 63 | N | 43.4 | Very low | 43.5 | Very low | 147 Ų | 147 | 124 Ų | 124 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | trans | -88.2 | 20.5 | 173.9 | -111.5 | -25.9 | 0 | 0 | 0 | 113.9 | D61 | D61-N63 PolarHBondContact O-N 3.27Š| ||
| 64 | R | 39.7 | Very low | 42.9 | Very low | 233 Ų | 233 | 128.7 Ų | 128.7 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -130.5 | 88.9 | 165.2 | -86.7 | -173.9 | 177.8 | 171.4 | -0 | 110.8 | E62 | E62-R64 PolarHBondContact O-N 2.63Š|
| 65 | S | 36.6 | Very low | 42.1 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | 51.7 | 100 | 147.4 | -63 | 0 | 0 | 0 | 0 | 118.5 | D67 | S65-D67 VanDerWaalsContact C-N 3.3Å; S65-D67 PolarHBondContact O-N 2.9Å | ||
| 66 | D | 39.9 | Very low | 41.8 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 55.1 | -9.5 | 135.7 | -71.2 | -18.8 | 0 | 0 | 0 | 123 | ||
| 67 | D | 36.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -118.8 | 69.4 | -179 | -62.2 | -29.3 | 0 | 0 | 0 | 111 | S65 E69 | S65-D67 VanDerWaalsContact C-N 3.3Å; S65-D67 PolarHBondContact O-N 2.9Å; D67-E69 PolarHBondContact O-N 2.92Å | ||
| 68 | Q | 36.1 | Very low | 40.4 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 53% | 0.533 | 73% | 0.734 | S | S | . | * | trans | -69.8 | 70.5 | 176.6 | -63.9 | -171.2 | -5.6 | 0 | 0 | 112.1 | E62 W70 | E62-Q68 VanDerWaalsContact OE1-CD 3.31Å; E62-Q68 PolarHBondContact OE1-NE2 2.83Å; E62-Q68 PolarHBondContact OE2-NE2 2.87Å; Q68-W70 VanDerWaalsContact O-CD1 3.29Å; Q68-W70 PolarHBondContact O-N 2.89Å | ||
| 69 | E | 32 | Very low | 39.7 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -83.4 | 98.2 | 167.4 | -74.6 | -169.2 | 161.6 | 0 | 0 | 110.4 | D67 T71 | D67-E69 PolarHBondContact O-N 2.92Å; E69-T71 PolarHBondContact O-N 2.96Å; E69-T71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | W | 38.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 71% | 0.705 | 77% | 0.769 | S | S | * | * | trans | -63.7 | 105.9 | 174.1 | -63 | 76.9 | 0 | 0 | 0 | 110.3 | Q68 V72 | Q68-W70 VanDerWaalsContact O-CD1 3.29Å; Q68-W70 PolarHBondContact O-N 2.89Å; W70-V72 PolarHBondContact O-N 3.28Å | ||
| 71 | T | 38.7 | Very low | 38.3 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -81.3 | 103.1 | 176.4 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | E69 I73 | E69-T71 PolarHBondContact O-N 2.96Å; E69-T71 VanDerWaalsContact O-N 3.08Å; T71-I73 PolarHBondContact O-N 3.18Å | ||
| 72 | V | 37.4 | Very low | 37.8 | Very low | 107 Ų | 107 | 161.4 Ų | 161.4 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 108.7 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | W70 R74 | W70-V72 PolarHBondContact O-N 3.28Å; V72-R74 HydrophobicContact CG1-CG 4.01Å; V72-R74 PolarHBondContact O-N 2.98Å | ||
| 73 | I | 37.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 164.2 Ų | 164.2 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 108.7 | 171.2 | -55.4 | 177.5 | 0 | 0 | 0 | 108 | T71 | T71-I73 PolarHBondContact O-N 3.18Š| ||
| 74 | R | 31.8 | Very low | 36.8 | Very low | 226 Ų | 226 | 165.6 Ų | 165.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 123.3 | 170.7 | -60 | -171.2 | -175.2 | -169.1 | 2.1 | 108.6 | V72 | V72-R74 HydrophobicContact CG1-CG 4.01Å; V72-R74 PolarHBondContact O-N 2.98Å | ||
| 75 | Q | 37.4 | Very low | 36.6 | Very low | 262 Ų | 262 | 159.5 Ų | 159.5 | 100% | 1.224 | 79% | 0.789 | S | S | * | * | trans | -96.4 | 0 | 162 | -73.1 | -167.2 | -41.3 | 0 | 0 | 109.7 |
Retrieved 75 of 75 residues in 25.7 ms
(Link to these results)