| 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 | 33.3 | Very low | 36 | Very low | 257 Ų | 257 | 171 Ų | 171 | 100% | 1.266 | 88% | 0.875 | S | S | * | * | 0 | 122.2 | 0 | -62.8 | 155.6 | 164.8 | 0 | 0 | 106.1 | |||||
| 2 | G | 36.2 | Very low | 35.4 | Very low | 78 Ų | 78 | 171.8 Ų | 171.8 | 80% | 0.804 | 88% | 0.881 | S | S | * | * | cis | -152.6 | 162.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | K | 41.4 | Very low | 35.6 | Very low | 203 Ų | 203 | 165.4 Ų | 165.4 | 88% | 0.883 | 87% | 0.869 | S | S | * | * | trans | -66.1 | 157.6 | 168.3 | -71.5 | 179.9 | 174.5 | 179 | 0 | 110 | ||||
| 4 | L | 33.6 | Very low | 35.4 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 91% | 0.911 | 87% | 0.867 | S | S | * | * | trans | -174 | 110.2 | 135.9 | -93.5 | 154 | 0 | 0 | 0 | 110.4 | ||||
| 5 | R | 37.1 | Very low | 35.8 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 86% | 0.858 | S | S | * | * | trans | -98.5 | 174.9 | 135.2 | -61.3 | -171 | -172.9 | -165.3 | 3 | 105.7 | ||||
| 6 | P | 46.4 | Very low | 35.7 | Very low | 128 Ų | 128 | 157.6 Ų | 157.6 | 83% | 0.831 | 86% | 0.857 | S | S | * | * | cis | -135 | -177.7 | -2.3 | 33 | -11 | 0 | 0 | 0 | 113.6 | ||||
| 7 | G | 33.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 155.8 Ų | 155.8 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | -146.1 | 107.5 | 162 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 8 | R | 34.7 | Very low | 35.9 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 79% | 0.785 | 86% | 0.856 | S | S | * | * | trans | -98.4 | 136 | 173 | 170.8 | -168.7 | -70.5 | -163.1 | -0.8 | 107.2 | ||||
| 9 | V | 34.8 | Very low | 36.4 | Very low | 151 Ų | 151 | 160.9 Ų | 160.9 | 92% | 0.915 | 85% | 0.853 | S | S | * | * | trans | -134.2 | 139.4 | 151.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 10 | E | 32.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 65% | 0.654 | 85% | 0.846 | S | S | * | * | trans | -79.3 | 168.4 | -163.7 | -122.6 | 133.9 | -159.5 | 0 | 0 | 115.5 | ||||
| 11 | W | 33.2 | Very low | 37.1 | Very low | 224 Ų | 224 | 158.5 Ų | 158.5 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | -54.8 | 153.2 | -176.3 | -51.4 | 89.9 | 0 | 0 | 0 | 118.2 | ||||
| 12 | L | 29.1 | Very low | 38 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -134.7 | 125.8 | 131.8 | -86.6 | 170.2 | 0 | 0 | 0 | 109.5 | ||||
| 13 | A | 37.6 | Very low | 38.6 | Very low | 88 Ų | 88 | 157 Ų | 157 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -82.9 | 140.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | S | 32.6 | Very low | 39.1 | Very low | 119 Ų | 119 | 154.1 Ų | 154.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -128.3 | 111.5 | 153.7 | -75.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 15 | G | 42.2 | Very low | 40.1 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -67.5 | 139.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 16 | H | 33.3 | Very low | 41.1 | Very low | 180 Ų | 180 | 144 Ų | 144 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -124.8 | 122 | 152.4 | -87.1 | -72.4 | 0 | 0 | 0 | 108.9 | E18 | H16-E18 PolarHBondContact O-N 3.4Š| ||
| 17 | T | 32.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -43.3 | 117.8 | 172.1 | 13.1 | 0 | 0 | 0 | 0 | 112.8 | R19 | T17-R19 PolarHBondContact O-N 3.38Š| ||
| 18 | E | 43.2 | Very low | 42.8 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -61.7 | 122.9 | 164.8 | -72.9 | -107.8 | 133.4 | 0 | 0 | 110.3 | H16 | H16-E18 PolarHBondContact O-N 3.4Š| ||
| 19 | R | 44.7 | Very low | 43.9 | Very low | 214 Ų | 214 | 141.6 Ų | 141.6 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | -120.6 | 145.3 | 161.5 | -82.4 | -172.6 | -170.1 | 179.7 | 4.2 | 108.6 | T17 H21 | T17-R19 PolarHBondContact O-N 3.38Å; R19-H21 PolarHBondContact O-N 2.97Å | ||
| 20 | P | 41.2 | Very low | 45 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | trans | -76.6 | 116.2 | -157.3 | 29.5 | -33.7 | 0 | 0 | 0 | 112.3 | L22 | P20-L22 PolarHBondContact O-N 3.39Š| ||
| 21 | H | 47 | Very low | 46.3 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 37.4 | 170.7 | -79.3 | -78.8 | 0 | 0 | 0 | 113.3 | R19 | R19-H21 PolarHBondContact O-N 2.97Š|
| 22 | L | 51.8 | Low | 47.4 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -14.6 | 179.7 | -117 | 124.1 | 0 | 0 | 0 | 113.4 | P20 | P20-L22 PolarHBondContact O-N 3.39Š|
| 23 | F | 49.9 | Very low | 48.8 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -18.2 | -176 | -90.3 | -89.6 | 0 | 0 | 0 | 115.3 | ||
| 24 | Q | 51.4 | Low | 49.7 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.5 | -26.3 | 177.8 | -152.3 | 93.9 | 7.4 | 0 | 0 | 112.2 | ||
| 25 | N | 54.5 | Low | 50.7 | Low | 95 Ų | 95 | 130.4 Ų | 130.4 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -79.2 | -28.8 | 177.8 | -86.8 | -13.8 | 0 | 0 | 0 | 112.8 | L27 L28 F29 | N25-L27 PolarHBondContact O-N 2.86Å; N25-L28 PolarHBondContact O-N 2.85Å; N25-F29 HydrophobicContact CB-CD2 4.41Å; N25-F29 WeakPolarHBondContact O-CB 3.15Å; N25-F29 VanDerWaalsContact O-CD2 3.29Å; N25-F29 WeakPolarHBondContact O-CD2 3.26Å; N25-F29 PolarHBondContact O-N 3.43Å |
| 26 | L | 57.5 | Low | 51.2 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.8 | -37.1 | -176.3 | -144.6 | 81.8 | 0 | 0 | 0 | 112.3 | L30 | L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.44Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.28Å |
| 27 | L | 58.9 | Low | 52.3 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.2 | -34.1 | 175.2 | -89.6 | 126.4 | 0 | 0 | 0 | 112.9 | N25 W31 | N25-L27 PolarHBondContact O-N 2.86Å; L27-W31 VanDerWaalsContact O-CB 3.24Å; L27-W31 WeakPolarHBondContact O-CB 3.49Å; L27-W31 PolarHBondContact O-N 3.34Å |
| 28 | L | 57.7 | Low | 53.3 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 51% | 0.508 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.2 | -38.5 | 173.1 | -75.9 | 166.6 | 0 | 0 | 0 | 111.9 | N25 W31 A32 | N25-L28 PolarHBondContact O-N 2.85Å; L28-W31 HydrophobicContact CD2-CE3 4.46Å; L28-W31 PolarHBondContact O-N 3.06Å; L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.25Å |
| 29 | F | 57.5 | Low | 53.9 | Low | 138 Ų | 138 | 122 Ų | 122 | 61% | 0.605 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 172.7 | -93.3 | -80.9 | 0 | 0 | 0 | 112.1 | N25 W31 A32 L33 | N25-F29 HydrophobicContact CB-CD2 4.41Å; N25-F29 WeakPolarHBondContact O-CB 3.15Å; N25-F29 VanDerWaalsContact O-CD2 3.29Å; N25-F29 WeakPolarHBondContact O-CD2 3.26Å; N25-F29 PolarHBondContact O-N 3.43Å; F29-W31 VanDerWaalsContact C-N 3.34Å; F29-A32 PolarHBondContact O-N 2.85Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 VanDerWaalsContact O-CG 3.23Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.43Å |
| 30 | L | 57.8 | Low | 54.4 | Low | 94 Ų | 94 | 118 Ų | 118 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67 | -33.4 | 173.8 | -82.5 | 157.1 | 0 | 0 | 0 | 112.1 | L26 L33 L34 | L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.44Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.28Å; L30-L33 PolarHBondContact O-N 3.02Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 2.81Å |
| 31 | W | 58.6 | Low | 54.8 | Low | 170 Ų | 170 | 116.6 Ų | 116.6 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.2 | -36.7 | 173.6 | -171.8 | 59 | 0 | 0 | 0 | 112.8 | L27 L28 F29 L34 N35 | L27-W31 VanDerWaalsContact O-CB 3.24Å; L27-W31 WeakPolarHBondContact O-CB 3.49Å; L27-W31 PolarHBondContact O-N 3.34Å; L28-W31 HydrophobicContact CD2-CE3 4.46Å; L28-W31 PolarHBondContact O-N 3.06Å; F29-W31 VanDerWaalsContact C-N 3.34Å; W31-L34 PolarHBondContact O-N 2.96Å; W31-N35 VanDerWaalsContact CE2-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.36Å; W31-N35 VanDerWaalsContact NE1-ND2 3.15Å; W31-N35 WeakPolarHBondContact O-CB 3.4Å; W31-N35 PolarHBondContact O-N 3.12Å |
| 32 | A | 57.5 | Low | 55.1 | Low | 56 Ų | 56 | 113.6 Ų | 113.6 | 46% | 0.463 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 F29 C36 | L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.25Å; F29-A32 PolarHBondContact O-N 2.85Å; A32-C36 PolarHBondContact O-N 2.8Å |
| 33 | L | 57.3 | Low | 55.3 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.5 | -33.2 | 175.5 | -68.5 | 168.9 | 0 | 0 | 0 | 112.8 | F29 L30 | F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 VanDerWaalsContact O-CG 3.23Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.02Å |
| 34 | L | 55.8 | Low | 55.8 | Low | 135 Ų | 135 | 104 Ų | 104 | 71% | 0.707 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.5 | -28.4 | 175.7 | -114.8 | 77.9 | 0 | 0 | 0 | 113.5 | L30 W31 | L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 2.81Å; W31-L34 PolarHBondContact O-N 2.96Å |
| 35 | N | 55.2 | Low | 56.9 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -86.5 | -2.1 | 176.2 | -86.7 | -42.6 | 0 | 0 | 0 | 114.4 | W31 G37 | W31-N35 VanDerWaalsContact CE2-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.36Å; W31-N35 VanDerWaalsContact NE1-ND2 3.15Å; W31-N35 WeakPolarHBondContact O-CB 3.4Å; W31-N35 PolarHBondContact O-N 3.12Å; N35-G37 PolarHBondContact O-N 3.31Å |
| 36 | C | 51.7 | Low | 58.3 | Low | 112 Ų | 112 | 97.2 Ų | 97.2 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -73.3 | -1 | 165.2 | -84.2 | 0 | 0 | 0 | 0 | 113.4 | A32 | A32-C36 PolarHBondContact O-N 2.8Š|
| 37 | G | 55.8 | Low | 59.9 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -99.5 | -3.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | N35 G39 | N35-G37 PolarHBondContact O-N 3.31Å; G37-G39 PolarHBondContact O-N 3.23Å |
| 38 | L | 54.4 | Low | 61.7 | Low | 147 Ų | 147 | 95.9 Ų | 95.9 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -95.8 | 85.3 | 166.4 | -78.7 | 164.3 | 0 | 0 | 0 | 107.6 | V40 | L38-V40 PolarHBondContact O-N 2.91Š|
| 39 | G | 56.3 | Low | 63.5 | Low | 74 Ų | 74 | 92.8 Ų | 92.8 | 76% | 0.763 | 55% | 0.554 | S | S | * | * | trans | -60.2 | 83.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G37 S41 | G37-G39 PolarHBondContact O-N 3.23Å; G39-S41 PolarHBondContact O-N 2.89Å | ||
| 40 | V | 53.5 | Low | 65.4 | Low | 129 Ų | 129 | 91.7 Ų | 91.7 | 78% | 0.782 | 56% | 0.561 | S | S | * | * | trans | -67.5 | 102.3 | 137.3 | 179.8 | 0 | 0 | 0 | 0 | 103.4 | L38 A42 | L38-V40 PolarHBondContact O-N 2.91Å; V40-A42 PolarHBondContact O-N 3.11Å | ||
| 41 | S | 51 | Low | 67.3 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | trans | -47.7 | 108.6 | 169.4 | -164.4 | 0 | 0 | 0 | 0 | 106.3 | G39 Q43 | G39-S41 PolarHBondContact O-N 2.89Å; S41-Q43 PolarHBondContact O-N 3.4Å; S41-Q43 PolarHBondContact O-NE2 3.3Å | ||
| 42 | A | 52.6 | Low | 69.2 | Low | 98 Ų | 98 | 86.1 Ų | 86.1 | 81% | 0.81 | 54% | 0.542 | S | S | * | . | trans | -64.4 | 81.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | V40 G44 | V40-A42 PolarHBondContact O-N 3.11Å; A42-G44 PolarHBondContact O-N 3.17Å | ||
| 43 | Q | 55.9 | Low | 71.1 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 28% | 0.276 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 118.1 | 172.9 | -77.5 | 144 | 94.8 | 0 | 0 | 104.4 | S41 E78 | S41-Q43 PolarHBondContact O-N 3.4Å; S41-Q43 PolarHBondContact O-NE2 3.3Å; Q43-E78 HydrophobicContact CB-CB 3.75Å; Q43-E78 HydrophobicContact CB-CG 3.4Å; Q43-E78 HydrophobicContact CG-CG 3.74Å; Q43-E78 VanDerWaalsContact OE1-CG 3.27Å |
| 44 | G | 61.3 | Low | 73 | Confident | 43 Ų | 43 | 84.9 Ų | 84.9 | 44% | 0.443 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 161.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A42 G46 | A42-G44 PolarHBondContact O-N 3.17Å; G44-G46 PolarHBondContact O-N 2.88Å |
| 45 | P | 74.5 | Confident | 75 | Confident | 87 Ų | 87 | 82 Ų | 82 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -52 | 138.7 | 174.1 | 24.7 | -32.9 | 0 | 0 | 0 | 108.9 | ||
| 46 | G | 84.2 | Confident | 76.9 | Confident | 9 Ų | 9 | 88.9 Ų | 88.9 | 9% | 0.093 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 157.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G44 L73 E79 C81 | G44-G46 PolarHBondContact O-N 2.88Å; G46-L73 CarbonylContact C-O 3.5Å; G46-L73 VanDerWaalsContact CA-O 3.31Å; G46-L73 WeakPolarHBondContact CA-O 3.32Å; G46-E79 PolarHBondContact N-O 3.11Å; G46-C81 PolarHBondContact O-SG 3.2Å |
| 47 | E | 91.4 | Very high | 78.9 | Confident | 148 Ų | 148 | 84.6 Ų | 84.6 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.7 | -177.6 | -167.5 | 177.7 | 177 | 0 | 0 | 110.8 | L73 | E47-L73 PolarHBondContact N-O 3.2Å; E47-L73 WeakPolarHBondContact O-CB 3.31Å; E47-L73 PolarHBondContact O-N 3.31Å |
| 48 | W | 95.4 | Very high | 80.7 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.3 | 172.9 | -78.7 | 120.1 | 0 | 0 | 0 | 110.8 | R70 R71 C72 C81 W82 G83 | W48-R70 HydrophobicContact CD2-CG 4.09Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.5Å; W48-R70 HydrophobicContact CZ3-CG 3.85Å; W48-R71 VanDerWaalsContact CE3-C 3.42Å; W48-C72 HydrophobicContact CE3-CB 4.02Å; W48-C72 HydrophobicContact CH2-CB 4.07Å; W48-C72 HydrophobicContact CZ3-CB 3.69Å; W48-C81 HydrophobicContact CD2-CB 3.68Å; W48-C81 HydrophobicContact CE3-CB 4.25Å; W48-C81 HydrophobicContact CG-CB 4.18Å; W48-C81 HydrophobicContact CH2-CB 3.93Å; W48-C81 HydrophobicContact CZ2-CB 3.33Å; W48-C81 HydrophobicContact CZ3-CB 4.37Å; W48-W82 PolarHBondContact NE1-O 3.35Å; W48-G83 WeakPolarHBondContact CZ2-O 3.29Å |
| 49 | T | 96.8 | Very high | 82.4 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 20% | 0.202 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 157.6 | 162 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | R71 L73 | T49-R71 HydrophobicContact CG2-CB 4.02Å; T49-R71 WeakPolarHBondContact CG2-O 3.38Å; T49-R71 PolarHBondContact N-O 3.29Å; T49-R71 PolarHBondContact OG1-N 3Å; T49-R71 PolarHBondContact OG1-O 3.12Å; T49-L73 HydrophobicContact CG2-CD1 3.92Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.73Å |
| 50 | P | 97.1 | Very high | 84.1 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 74% | 0.74 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 149.5 | 164 | -24.5 | 34.4 | 0 | 0 | 0 | 111 | V52 | P50-V52 PolarHBondContact O-N 3.26Š|
| 51 | W | 97.8 | Very high | 86 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.6 | 172 | -73.7 | 109.6 | 0 | 0 | 0 | 110.3 | R68 S69 R70 E87 | W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.71Å; W51-R68 HydrophobicContact CZ3-CG 4.13Å; W51-S69 VanDerWaalsContact CE3-C 3.47Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.79Å; W51-R70 HydrophobicContact CE3-CG 3.73Å; W51-R70 HydrophobicContact CH2-CG 3.68Å; W51-R70 VanDerWaalsContact CZ2-CD 3.46Å; W51-R70 HydrophobicContact CZ2-CG 4.01Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.41Å; W51-R70 HydrophobicContact CZ3-CB 4.08Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; W51-E87 HydrophobicContact CH2-CB 4.21Å; W51-E87 HydrophobicContact CH2-CG 3.6Å; W51-E87 HydrophobicContact CZ2-CG 3.82Å; W51-E87 WeakPolarHBondContact CZ2-OE1 3.35Å; W51-E87 HydrophobicContact CZ3-CB 4.37Å; W51-E87 HydrophobicContact CZ3-CG 4.24Å |
| 52 | V | 97.9 | Very high | 87.9 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 157.6 | 167.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | P50 R68 S69 | P50-V52 PolarHBondContact O-N 3.26Å; V52-R68 WeakPolarHBondContact O-CB 3.47Å; V52-S69 WeakPolarHBondContact CB-O 3.09Å; V52-S69 WeakPolarHBondContact CG2-O 3.49Å; V52-S69 PolarHBondContact N-O 3.21Å |
| 53 | S | 97.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 69% | 0.685 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 151.1 | 171 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | T55 | S53-T55 PolarHBondContact O-N 3.37Š|
| 54 | W | 97.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 21% | 0.212 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 136.7 | 175.2 | -68 | 99.3 | 0 | 0 | 0 | 111.1 | S66 V67 R68 E87 R89 L180 | W54-S66 WeakPolarHBondContact CZ3-O 3.36Å; W54-V67 WeakPolarHBondContact CA-O 3.5Å; W54-R68 HydrophobicContact CD2-CB 3.87Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.44Å; W54-R68 HydrophobicContact CE3-CB 3.77Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.38Å; W54-R68 HydrophobicContact CH2-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.64Å; W54-R68 VanDerWaalsContact CZ2-CD 3.42Å; W54-R68 HydrophobicContact CZ2-CG 3.75Å; W54-R68 VanDerWaalsContact CZ2-NE 3.3Å; W54-R68 HydrophobicContact CZ3-CB 4.09Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; W54-E87 HydrophobicContact CH2-CB 3.92Å; W54-E87 HydrophobicContact CZ3-CB 4.48Å; W54-E87 VanDerWaalsContact CZ3-O 3.28Å; W54-E87 WeakPolarHBondContact CZ3-O 3.27Å; W54-R89 HydrophobicContact CD2-CG 4.16Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 VanDerWaalsContact CG-CZ 3.41Å; W54-R89 HydrophobicContact CH2-CB 3.89Å; W54-R89 HydrophobicContact CH2-CG 3.86Å; W54-R89 HydrophobicContact CZ2-CB 4.42Å; W54-R89 HydrophobicContact CZ2-CG 4.22Å; W54-R89 HydrophobicContact CZ3-CB 4.01Å; W54-R89 HydrophobicContact CZ3-CG 3.63Å; W54-L180 HydrophobicContact CH2-CD2 3.78Å; W54-L180 HydrophobicContact CZ2-CD2 4.01Å |
| 55 | T | 96.9 | Very high | 93 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -63 | 160.7 | 170.4 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | S53 S66 V67 | S53-T55 PolarHBondContact O-N 3.37Å; T55-S66 WeakPolarHBondContact O-CB 3.25Å; T55-S66 PolarHBondContact O-OG 3.03Å; T55-V67 WeakPolarHBondContact CG2-O 3.24Å; T55-V67 PolarHBondContact N-O 3.47Å; T55-V67 PolarHBondContact OG1-N 3.16Å; T55-V67 PolarHBondContact OG1-O 3.35Å |
| 56 | R | 95.5 | Very high | 94 | Very high | 233 Ų | 233 | 62.9 Ų | 62.9 | 88% | 0.879 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -54 | 150.3 | 163.6 | -171.5 | 178.6 | -70 | -170 | -0.8 | 109.8 | ||
| 57 | C | 94.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 64 Ų | 64 | 14% | 0.142 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 140.5 | 174.3 | -161.4 | 0 | 0 | 0 | 0 | 111 | S59 C91 L93 | C57-S59 PolarHBondContact O-N 3.17Å; C57-C91 WeakPolarHBondContact CA-SG 3.36Å; C57-C91 HydrophobicContact CB-CB 3.76Å; C57-C91 WeakPolarHBondContact CB-SG 3.14Å; C57-C91 WeakPolarHBondContact SG-CB 3.03Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.17Å; C57-L93 HydrophobicContact CB-CD1 4Å |
| 58 | S | 92.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -66.6 | -23.2 | 177 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | V65 | S58-V65 PolarHBondContact N-O 2.04Å; S58-V65 PolarHBondContact OG-N 3.12Å; S58-V65 PolarHBondContact OG-O 3.21Å |
| 59 | S | 90.9 | Very high | 95 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -102.4 | 159.8 | 176 | -56 | 0 | 0 | 0 | 0 | 111.3 | C57 C61 R63 G64 L93 | C57-S59 PolarHBondContact O-N 3.17Å; S59-C61 WeakPolarHBondContact CB-O 3.42Å; S59-R63 WeakPolarHBondContact CB-O 3.36Å; S59-R63 PolarHBondContact OG-O 3.28Å; S59-G64 WeakPolarHBondContact OG-CA 3.41Å; S59-L93 WeakPolarHBondContact O-CD1 3.49Å | ||
| 60 | S | 91.7 | Very high | 95 | Very high | 109 Ų | 109 | 60 Ų | 60 | 76% | 0.762 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -99.7 | -13.9 | 171.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 61 | C | 93.1 | Very high | 95 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -149.2 | 167.4 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | S59 R63 P94 C96 | S59-C61 WeakPolarHBondContact CB-O 3.42Å; C61-R63 PolarHBondContact O-N 3Å; C61-P94 CarbonylContact C-O 3.6Å; C61-P94 WeakPolarHBondContact CA-O 3.42Å; C61-P94 WeakPolarHBondContact CB-O 3.25Å; C61-C96 HydrophobicContact CB-CB 3.9Å; C61-C96 WeakPolarHBondContact CB-SG 3.37Å; C61-C96 WeakPolarHBondContact SG-CA 2.97Å; C61-C96 WeakPolarHBondContact SG-CB 3.43Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.81Å |
| 62 | G | 90.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 60.1 | -130.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L93 P94 | G62-L93 WeakPolarHBondContact O-CB 3.49Å; G62-L93 PolarHBondContact O-N 3.12Å; G62-P94 PolarHBondContact N-O 3.31Å |
| 63 | R | 90.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 63.6 Ų | 63.6 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.9 | -178.3 | -168.2 | -178.7 | -64 | 152.3 | 6.7 | 110.5 | S59 C61 L90 A163 Q164 | S59-R63 WeakPolarHBondContact CB-O 3.36Å; S59-R63 PolarHBondContact OG-O 3.28Å; C61-R63 PolarHBondContact O-N 3Å; R63-L90 HydrophobicContact CG-CD2 3.79Å; R63-A163 PolarHBondContact NH1-O 3.37Å; R63-Q164 PolarHBondContact NH1-O 3.3Å; R63-Q164 VanDerWaalsContact NH1-O 3.13Å |
| 64 | G | 91.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | -168.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S59 C91 | S59-G64 WeakPolarHBondContact OG-CA 3.41Å; G64-C91 PolarHBondContact N-O 2.71Å; G64-C91 PolarHBondContact O-N 3.49Å; G64-C91 PolarHBondContact O-SG 3.43Å; G64-C91 VanDerWaalsContact O-SG 3.35Å |
| 65 | V | 95 | Very high | 93.9 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.4 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | S58 V67 Y88 R89 C91 G156 V166 V168 L181 | S58-V65 PolarHBondContact N-O 2.04Å; S58-V65 PolarHBondContact OG-N 3.12Å; S58-V65 PolarHBondContact OG-O 3.21Å; V65-V67 HydrophobicContact CG1-CG2 4.25Å; V65-Y88 HydrophobicContact CG1-CD1 4Å; V65-R89 WeakPolarHBondContact CA-O 3.2Å; V65-C91 PolarHBondContact N-SG 2.99Å; V65-C91 VanDerWaalsContact N-SG 3.37Å; V65-G156 VanDerWaalsContact CG2-CA 3.45Å; V65-V166 HydrophobicContact CG2-CB 4.33Å; V65-V166 HydrophobicContact CG2-CG2 3.58Å; V65-V168 HydrophobicContact CG1-CG2 4.24Å; V65-V168 HydrophobicContact CG2-CG2 4.13Å; V65-L181 HydrophobicContact CG1-CD1 4.11Å; V65-L181 HydrophobicContact CG2-CD1 3.77Å |
| 66 | S | 96.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 144.3 | 165.1 | -80.4 | 0 | 0 | 0 | 0 | 109 | W54 T55 Y88 R89 | W54-S66 WeakPolarHBondContact CZ3-O 3.36Å; T55-S66 WeakPolarHBondContact O-CB 3.25Å; T55-S66 PolarHBondContact O-OG 3.03Å; S66-Y88 WeakPolarHBondContact O-CA 3.46Å; S66-R89 PolarHBondContact N-O 3.18Å; S66-R89 PolarHBondContact O-N 3.11Å |
| 67 | V | 96.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.4 | -179 | -167.1 | 0 | 0 | 0 | 0 | 109 | W54 T55 V65 H86 E87 Y88 | W54-V67 WeakPolarHBondContact CA-O 3.5Å; T55-V67 WeakPolarHBondContact CG2-O 3.24Å; T55-V67 PolarHBondContact N-O 3.47Å; T55-V67 PolarHBondContact OG1-N 3.16Å; T55-V67 PolarHBondContact OG1-O 3.35Å; V65-V67 HydrophobicContact CG1-CG2 4.25Å; V67-H86 HydrophobicContact CG1-CB 4.47Å; V67-E87 CarbonylContact C-O 3.53Å; V67-E87 WeakPolarHBondContact CA-O 3.31Å; V67-Y88 HydrophobicContact CB-CD1 4.22Å; V67-Y88 HydrophobicContact CB-CE1 4.27Å; V67-Y88 HydrophobicContact CG1-CD1 3.89Å; V67-Y88 HydrophobicContact CG1-CE1 3.64Å; V67-Y88 HydrophobicContact CG2-CD1 3.55Å; V67-Y88 HydrophobicContact CG2-CE1 3.65Å |
| 68 | R | 97.3 | Very high | 92.5 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.6 | 161.2 | 65.8 | 176.5 | 178.9 | 178.9 | 1.4 | 109.2 | W51 V52 W54 H86 E87 | W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.71Å; W51-R68 HydrophobicContact CZ3-CG 4.13Å; V52-R68 WeakPolarHBondContact O-CB 3.47Å; W54-R68 HydrophobicContact CD2-CB 3.87Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.44Å; W54-R68 HydrophobicContact CE3-CB 3.77Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.38Å; W54-R68 HydrophobicContact CH2-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.64Å; W54-R68 VanDerWaalsContact CZ2-CD 3.42Å; W54-R68 HydrophobicContact CZ2-CG 3.75Å; W54-R68 VanDerWaalsContact CZ2-NE 3.3Å; W54-R68 HydrophobicContact CZ3-CB 4.09Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; R68-H86 WeakPolarHBondContact O-CA 2.94Å; R68-E87 HydrophobicContact CG-CB 3.92Å; R68-E87 IonicContact CZ-OE2 3.05Å; R68-E87 PolarHBondContact N-O 3.46Å; R68-E87 IonicContact NE-OE2 2.73Å; R68-E87 PolarHBondContact NE-OE2 3.06Å; R68-E87 IonicContact NH2-OE1 3.68Å; R68-E87 IonicContact NH2-OE2 2.6Å; R68-E87 PolarHBondContact NH2-OE2 2.89Å; R68-E87 PolarHBondContact O-N 2.87Å |
| 69 | S | 97.3 | Very high | 92.3 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.3 | -178.2 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | W51 V52 S85 | W51-S69 VanDerWaalsContact CE3-C 3.47Å; V52-S69 WeakPolarHBondContact CB-O 3.09Å; V52-S69 WeakPolarHBondContact CG2-O 3.49Å; V52-S69 PolarHBondContact N-O 3.21Å; S69-S85 VanDerWaalsContact CA-O 3.31Å; S69-S85 WeakPolarHBondContact CA-O 3.45Å |
| 70 | R | 97.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 18% | 0.181 | 37% | 0.371 | C | S | . | . | trans | -139.4 | 159.9 | 169.9 | 60.7 | 178.1 | 177.9 | -179.4 | -1.7 | 108.7 | W48 W51 D84 S85 | W48-R70 HydrophobicContact CD2-CG 4.09Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.5Å; W48-R70 HydrophobicContact CZ3-CG 3.85Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.79Å; W51-R70 HydrophobicContact CE3-CG 3.73Å; W51-R70 HydrophobicContact CH2-CG 3.68Å; W51-R70 VanDerWaalsContact CZ2-CD 3.46Å; W51-R70 HydrophobicContact CZ2-CG 4.01Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.41Å; W51-R70 HydrophobicContact CZ3-CB 4.08Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; R70-D84 PolarHBondContact NE-O 3.29Å; R70-D84 PolarHBondContact NH2-O 2.86Å; R70-S85 PolarHBondContact N-O 2.78Å | ||
| 71 | R | 96.4 | Very high | 92.2 | Very high | 195 Ų | 195 | 64.9 Ų | 64.9 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | trans | -114.2 | 144.4 | 179.6 | -63.1 | -177.8 | -177.3 | 179.4 | 1 | 109.8 | W48 T49 | W48-R71 VanDerWaalsContact CE3-C 3.42Å; T49-R71 HydrophobicContact CG2-CB 4.02Å; T49-R71 WeakPolarHBondContact CG2-O 3.38Å; T49-R71 PolarHBondContact N-O 3.29Å; T49-R71 PolarHBondContact OG1-N 3Å; T49-R71 PolarHBondContact OG1-O 3.12Å | ||
| 72 | C | 95.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.5 | 171.4 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | W48 C81 | W48-C72 HydrophobicContact CE3-CB 4.02Å; W48-C72 HydrophobicContact CH2-CB 4.07Å; W48-C72 HydrophobicContact CZ3-CB 3.69Å; C72-C81 WeakPolarHBondContact CA-SG 3.3Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.39Å; C72-C81 WeakPolarHBondContact SG-CB 3.45Å; C72-C81 PolarHBondContact SG-N 3.02Å; C72-C81 CovalentContact SG-SG 2.02Å; C72-C81 PolarHBondContact SG-SG 3.46Å |
| 73 | L | 94.1 | Very high | 92.2 | Very high | 100 Ų | 100 | 75.4 Ų | 75.4 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.5 | 171.5 | -57.4 | -177.7 | 0 | 0 | 0 | 107.8 | G46 E47 T49 | G46-L73 CarbonylContact C-O 3.5Å; G46-L73 VanDerWaalsContact CA-O 3.31Å; G46-L73 WeakPolarHBondContact CA-O 3.32Å; E47-L73 PolarHBondContact N-O 3.2Å; E47-L73 WeakPolarHBondContact O-CB 3.31Å; E47-L73 PolarHBondContact O-N 3.31Å; T49-L73 HydrophobicContact CG2-CD1 3.92Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.73Å |
| 74 | R | 91 | Very high | 92.3 | Very high | 140 Ų | 140 | 76.4 Ų | 76.4 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | trans | -149.1 | 148.1 | 178.2 | 70.9 | 176.8 | -173.3 | 85.1 | 2.3 | 111.5 | E78 | R74-E78 VanDerWaalsContact CA-OE2 3.24Å; R74-E78 WeakPolarHBondContact CA-OE2 3.05Å; R74-E78 HydrophobicContact CB-CB 4.21Å | ||
| 75 | L | 88.1 | Confident | 92.5 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 57% | 0.571 | 42% | 0.418 | S | S | * | . | trans | -79.5 | 162.6 | 168.8 | -58.5 | 174.3 | 0 | 0 | 0 | 111.2 | G77 E78 | L75-G77 PolarHBondContact O-N 3.48Å; L75-E78 HydrophobicContact CB-CG 3.68Å; L75-E78 VanDerWaalsContact N-CD 3.31Å; L75-E78 PolarHBondContact N-OE2 3.03Å; L75-E78 PolarHBondContact O-N 3.39Å | ||
| 76 | P | 86 | Confident | 92.5 | Very high | 124 Ų | 124 | 82.5 Ų | 82.5 | 81% | 0.805 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 116.7 | 170.6 | -20.5 | 33.2 | 0 | 0 | 0 | 110.7 | ||
| 77 | G | 83.3 | Confident | 92.6 | Very high | 65 Ų | 65 | 84.2 Ų | 84.2 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | -7.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L75 | L75-G77 PolarHBondContact O-N 3.48Š|
| 78 | E | 87.3 | Confident | 92.6 | Very high | 41 Ų | 41 | 84.9 Ų | 84.9 | 19% | 0.192 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -83.2 | 151.6 | 172 | -39.7 | -166.6 | 136 | 0 | 0 | 112.1 | Q43 R74 L75 | Q43-E78 HydrophobicContact CB-CB 3.75Å; Q43-E78 HydrophobicContact CB-CG 3.4Å; Q43-E78 HydrophobicContact CG-CG 3.74Å; Q43-E78 VanDerWaalsContact OE1-CG 3.27Å; R74-E78 VanDerWaalsContact CA-OE2 3.24Å; R74-E78 WeakPolarHBondContact CA-OE2 3.05Å; R74-E78 HydrophobicContact CB-CB 4.21Å; L75-E78 HydrophobicContact CB-CG 3.68Å; L75-E78 VanDerWaalsContact N-CD 3.31Å; L75-E78 PolarHBondContact N-OE2 3.03Å; L75-E78 PolarHBondContact O-N 3.39Å |
| 79 | E | 87.9 | Confident | 92.5 | Very high | 119 Ų | 119 | 86.5 Ų | 86.5 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 141.3 | 173.8 | -74 | -64.8 | 145 | 0 | 0 | 111.3 | G46 | G46-E79 PolarHBondContact N-O 3.11Š|
| 80 | P | 89.9 | Confident | 92.4 | Very high | 73 Ų | 73 | 86.6 Ų | 86.6 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.5 | 174.5 | 28.9 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 81 | C | 92.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 85.1 Ų | 85.1 | 11% | 0.108 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 142.5 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | G46 W48 C72 | G46-C81 PolarHBondContact O-SG 3.2Å; W48-C81 HydrophobicContact CD2-CB 3.68Å; W48-C81 HydrophobicContact CE3-CB 4.25Å; W48-C81 HydrophobicContact CG-CB 4.18Å; W48-C81 HydrophobicContact CH2-CB 3.93Å; W48-C81 HydrophobicContact CZ2-CB 3.33Å; W48-C81 HydrophobicContact CZ3-CB 4.37Å; C72-C81 WeakPolarHBondContact CA-SG 3.3Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.39Å; C72-C81 WeakPolarHBondContact SG-CB 3.45Å; C72-C81 PolarHBondContact SG-N 3.02Å; C72-C81 CovalentContact SG-SG 2.02Å; C72-C81 PolarHBondContact SG-SG 3.46Å |
| 82 | W | 92.2 | Very high | 91.9 | Very high | 207 Ų | 207 | 83.7 Ų | 83.7 | 78% | 0.784 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -87.3 | 139.5 | 178.5 | -66.6 | 55.1 | 0 | 0 | 0 | 110.4 | W48 | W48-W82 PolarHBondContact NE1-O 3.35Š|
| 83 | G | 90.9 | Very high | 91.8 | Very high | 56 Ų | 56 | 84.4 Ų | 84.4 | 58% | 0.577 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 96.3 | -178.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | W48 | W48-G83 WeakPolarHBondContact CZ2-O 3.29Š|
| 84 | D | 92.8 | Very high | 91.9 | Very high | 122 Ų | 122 | 84.7 Ų | 84.7 | 65% | 0.652 | 45% | 0.452 | S | S | * | . | trans | -79.9 | 144.1 | -172 | -64.1 | -50.2 | 0 | 0 | 0 | 112.9 | R70 H86 | R70-D84 PolarHBondContact NE-O 3.29Å; R70-D84 PolarHBondContact NH2-O 2.86Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 WeakPolarHBondContact CB-O 3.48Å | ||
| 85 | S | 95.6 | Very high | 92 | Very high | 49 Ų | 49 | 85.1 Ų | 85.1 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -83.7 | -13.8 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | S69 R70 | S69-S85 VanDerWaalsContact CA-O 3.31Å; S69-S85 WeakPolarHBondContact CA-O 3.45Å; R70-S85 PolarHBondContact N-O 2.78Å |
| 86 | H | 95.8 | Very high | 92.3 | Very high | 83 Ų | 83 | 82.6 Ų | 82.6 | 38% | 0.384 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | -177.7 | -64.8 | 76.4 | 0 | 0 | 0 | 109.8 | V67 R68 D84 Y88 | V67-H86 HydrophobicContact CG1-CB 4.47Å; R68-H86 WeakPolarHBondContact O-CA 2.94Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 WeakPolarHBondContact CB-O 3.48Å; H86-Y88 HydrophobicContact CB-CE2 3.83Å |
| 87 | E | 96.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 80.8 Ų | 80.8 | 19% | 0.187 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.5 | 166.9 | -77.7 | 176.8 | -166 | 0 | 0 | 109.3 | W51 W54 V67 R68 | W51-E87 HydrophobicContact CH2-CB 4.21Å; W51-E87 HydrophobicContact CH2-CG 3.6Å; W51-E87 HydrophobicContact CZ2-CG 3.82Å; W51-E87 WeakPolarHBondContact CZ2-OE1 3.35Å; W51-E87 HydrophobicContact CZ3-CB 4.37Å; W51-E87 HydrophobicContact CZ3-CG 4.24Å; W54-E87 HydrophobicContact CH2-CB 3.92Å; W54-E87 HydrophobicContact CZ3-CB 4.48Å; W54-E87 VanDerWaalsContact CZ3-O 3.28Å; W54-E87 WeakPolarHBondContact CZ3-O 3.27Å; V67-E87 CarbonylContact C-O 3.53Å; V67-E87 WeakPolarHBondContact CA-O 3.31Å; R68-E87 HydrophobicContact CG-CB 3.92Å; R68-E87 IonicContact CZ-OE2 3.05Å; R68-E87 PolarHBondContact N-O 3.46Å; R68-E87 IonicContact NE-OE2 2.73Å; R68-E87 PolarHBondContact NE-OE2 3.06Å; R68-E87 IonicContact NH2-OE1 3.68Å; R68-E87 IonicContact NH2-OE2 2.6Å; R68-E87 PolarHBondContact NH2-OE2 2.89Å; R68-E87 PolarHBondContact O-N 2.87Å |
| 88 | Y | 96.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 84.2 Ų | 84.2 | 18% | 0.184 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.5 | -175.8 | -58 | -91.1 | 0 | 0 | 0 | 108.2 | V65 S66 V67 H86 V168 L180 L181 | V65-Y88 HydrophobicContact CG1-CD1 4Å; S66-Y88 WeakPolarHBondContact O-CA 3.46Å; V67-Y88 HydrophobicContact CB-CD1 4.22Å; V67-Y88 HydrophobicContact CB-CE1 4.27Å; V67-Y88 HydrophobicContact CG1-CD1 3.89Å; V67-Y88 HydrophobicContact CG1-CE1 3.64Å; V67-Y88 HydrophobicContact CG2-CD1 3.55Å; V67-Y88 HydrophobicContact CG2-CE1 3.65Å; H86-Y88 HydrophobicContact CB-CE2 3.83Å; Y88-V168 HydrophobicContact CD1-CG1 3.35Å; Y88-V168 HydrophobicContact CD1-CG2 4.39Å; Y88-V168 HydrophobicContact CD2-CG1 3.89Å; Y88-V168 HydrophobicContact CE1-CG1 3.28Å; Y88-V168 HydrophobicContact CE2-CG1 3.83Å; Y88-V168 HydrophobicContact CG-CG1 3.68Å; Y88-L180 WeakPolarHBondContact O-CA 3.29Å; Y88-L181 PolarHBondContact O-N 3.35Å |
| 89 | R | 96 | Very high | 93.5 | Very high | 97 Ų | 97 | 85.9 Ų | 85.9 | 37% | 0.366 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.1 | 172 | 70.8 | 179.2 | -178.1 | 178.1 | 1.5 | 110.6 | W54 V65 S66 G179 L180 | W54-R89 HydrophobicContact CD2-CG 4.16Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 VanDerWaalsContact CG-CZ 3.41Å; W54-R89 HydrophobicContact CH2-CB 3.89Å; W54-R89 HydrophobicContact CH2-CG 3.86Å; W54-R89 HydrophobicContact CZ2-CB 4.42Å; W54-R89 HydrophobicContact CZ2-CG 4.22Å; W54-R89 HydrophobicContact CZ3-CB 4.01Å; W54-R89 HydrophobicContact CZ3-CG 3.63Å; V65-R89 WeakPolarHBondContact CA-O 3.2Å; S66-R89 PolarHBondContact N-O 3.18Å; S66-R89 PolarHBondContact O-N 3.11Å; R89-G179 WeakPolarHBondContact CB-O 3.04Å; R89-L180 HydrophobicContact CB-CD2 4.49Å |
| 90 | L | 94.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 82.5 Ų | 82.5 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137 | 167.9 | -70 | 175.6 | 0 | 0 | 0 | 109.8 | R63 V166 A175 L181 | R63-L90 HydrophobicContact CG-CD2 3.79Å; L90-V166 HydrophobicContact CD2-CG1 3.93Å; L90-V166 HydrophobicContact CD2-CG2 3.71Å; L90-A175 HydrophobicContact CD1-CB 3.94Å; L90-A175 HydrophobicContact CG-CB 4.47Å; L90-L181 HydrophobicContact CD1-CD2 4.33Å; L90-L181 HydrophobicContact CD2-CD1 4.11Å; L90-L181 HydrophobicContact CD2-CD2 4.03Å; L90-L181 HydrophobicContact CD2-CG 4.47Å; L90-L181 HydrophobicContact CG-CD1 4.28Å; L90-L181 HydrophobicContact CG-CD2 3.82Å; L90-L181 HydrophobicContact CG-CG 4.18Å |
| 91 | C | 92.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 83.7 Ų | 83.7 | 12% | 0.122 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.5 | 164.1 | 39.3 | 0 | 0 | 0 | 0 | 108.2 | C57 G64 V65 | C57-C91 WeakPolarHBondContact CA-SG 3.36Å; C57-C91 HydrophobicContact CB-CB 3.76Å; C57-C91 WeakPolarHBondContact CB-SG 3.14Å; C57-C91 WeakPolarHBondContact SG-CB 3.03Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.17Å; G64-C91 PolarHBondContact N-O 2.71Å; G64-C91 PolarHBondContact O-N 3.49Å; G64-C91 PolarHBondContact O-SG 3.43Å; G64-C91 VanDerWaalsContact O-SG 3.35Å; V65-C91 PolarHBondContact N-SG 2.99Å; V65-C91 VanDerWaalsContact N-SG 3.37Å |
| 92 | Q | 91.1 | Very high | 93.8 | Very high | 164 Ų | 164 | 86.5 Ų | 86.5 | 77% | 0.766 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.3 | -177.1 | -152.4 | 146.7 | -2.1 | 0 | 0 | 108.1 | ||
| 93 | L | 92.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 80.8 Ų | 80.8 | 29% | 0.293 | 48% | 0.48 | S | S | . | . | trans | -110.2 | 167.2 | -178 | -64.4 | 163.8 | 0 | 0 | 0 | 108.5 | C57 S59 G62 | C57-L93 HydrophobicContact CB-CD1 4Å; S59-L93 WeakPolarHBondContact O-CD1 3.49Å; G62-L93 WeakPolarHBondContact O-CB 3.49Å; G62-L93 PolarHBondContact O-N 3.12Å | ||
| 94 | P | 95.6 | Very high | 94.1 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 69% | 0.688 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -52 | 147.5 | 170.5 | -25.9 | 35.6 | 0 | 0 | 0 | 111.4 | C61 G62 | C61-P94 CarbonylContact C-O 3.6Å; C61-P94 WeakPolarHBondContact CA-O 3.42Å; C61-P94 WeakPolarHBondContact CB-O 3.25Å; G62-P94 PolarHBondContact N-O 3.31Å |
| 95 | D | 94.1 | Very high | 94.3 | Very high | 150 Ų | 150 | 75.7 Ų | 75.7 | 80% | 0.802 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 145.3 | -179.3 | -70.2 | -38.6 | 0 | 0 | 0 | 111.8 | ||
| 96 | C | 93 | Very high | 94.4 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.1 | 177.4 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | C61 A100 | C61-C96 HydrophobicContact CB-CB 3.9Å; C61-C96 WeakPolarHBondContact CB-SG 3.37Å; C61-C96 WeakPolarHBondContact SG-CA 2.97Å; C61-C96 WeakPolarHBondContact SG-CB 3.43Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.81Å; C96-A100 HydrophobicContact CB-CB 3.62Å |
| 97 | P | 95.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 74.4 Ų | 74.4 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 152.4 | 179.2 | 25 | -34.1 | 0 | 0 | 0 | 110.9 | G99 A100 | P97-G99 PolarHBondContact O-N 3.13Å; P97-A100 HydrophobicContact CG-CB 4.35Å; P97-A100 WeakPolarHBondContact O-CB 3.01Å; P97-A100 PolarHBondContact O-N 3.46Å |
| 98 | P | 95 | Very high | 94.5 | Very high | 137 Ų | 137 | 72.5 Ų | 72.5 | 89% | 0.89 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.6 | 175.1 | -25.2 | 34 | 0 | 0 | 0 | 111.4 | A100 | P98-A100 VanDerWaalsContact C-N 3.3Š|
| 99 | G | 92 | Very high | 94.5 | Very high | 77 Ų | 77 | 72.2 Ų | 72.2 | 79% | 0.794 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 5.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | P97 V101 | P97-G99 PolarHBondContact O-N 3.13Å; G99-V101 PolarHBondContact O-N 2.88Å |
| 100 | A | 92.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 128.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | C96 P97 P98 | C96-A100 HydrophobicContact CB-CB 3.62Å; P97-A100 HydrophobicContact CG-CB 4.35Å; P97-A100 WeakPolarHBondContact O-CB 3.01Å; P97-A100 PolarHBondContact O-N 3.46Å; P98-A100 VanDerWaalsContact C-N 3.3Å |
| 101 | V | 92.4 | Very high | 94.7 | Very high | 97 Ų | 97 | 74 Ų | 74 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 130.5 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | G99 D105 L106 | G99-V101 PolarHBondContact O-N 2.88Å; V101-D105 HydrophobicContact CG1-CB 3.71Å; V101-L106 HydrophobicContact CG1-CB 4.44Å |
| 102 | P | 92.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 75.5 Ų | 75.5 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 150 | 176.8 | -14.1 | 25.5 | 0 | 0 | 0 | 111.5 | R104 D105 L106 | P102-R104 PolarHBondContact O-N 3.15Å; P102-R104 VanDerWaalsContact O-N 3.15Å; P102-D105 VanDerWaalsContact CB-OD2 3.25Å; P102-D105 WeakPolarHBondContact CB-OD2 3.32Å; P102-D105 WeakPolarHBondContact CG-OD2 2.97Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 2.87Å; P102-L106 PolarHBondContact O-N 3.32Å; P102-L106 VanDerWaalsContact O-N 3.12Å |
| 103 | F | 93.4 | Very high | 95 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -35 | -175.5 | -98.6 | -114.6 | 0 | 0 | 0 | 113.5 | Q107 T157 | F103-Q107 VanDerWaalsContact O-CG 3.25Å; F103-Q107 WeakPolarHBondContact O-CG 3.38Å; F103-Q107 PolarHBondContact O-N 2.77Å; F103-Q107 VanDerWaalsContact O-N 3.09Å; F103-Q107 PolarHBondContact O-NE2 3.47Å; F103-T157 HydrophobicContact CB-CG2 4.5Å |
| 104 | R | 96.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 3% | 0.034 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | -178.8 | -164.2 | 178.3 | -179.3 | 128.7 | -0.3 | 111.8 | P102 L106 Q107 C108 P127 F128 H129 Q134 D136 L137 T157 C159 | P102-R104 PolarHBondContact O-N 3.15Å; P102-R104 VanDerWaalsContact O-N 3.15Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-Q107 WeakPolarHBondContact O-CB 3.24Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-C108 PolarHBondContact O-N 3.09Å; R104-P127 HydrophobicContact CB-CG 4.34Å; R104-P127 HydrophobicContact CG-CB 3.99Å; R104-P127 HydrophobicContact CG-CG 4.12Å; R104-F128 PolarHBondContact NH2-O 2.99Å; R104-F128 VanDerWaalsContact NH2-O 3.12Å; R104-H129 WeakPolarHBondContact CD-CE1 3.38Å; R104-H129 VanDerWaalsContact CZ-CE1 3.48Å; R104-H129 PolarHBondContact NE-CE1 3.48Å; R104-H129 PolarHBondContact NH1-CE1 3Å; R104-H129 PolarHBondContact NH1-ND1 2.02Å; R104-Q134 PolarHBondContact NH1-O 2.77Å; R104-Q134 PolarHBondContact NH2-O 3.44Å; R104-D136 PolarHBondContact NH2-O 3.39Å; R104-D136 VanDerWaalsContact NH2-O 3.12Å; R104-L137 HydrophobicContact CG-CD1 4.33Å; R104-T157 HydrophobicContact CB-CG2 3.69Å; R104-T157 HydrophobicContact CG-CG2 4.17Å; R104-C159 PolarHBondContact NH1-O 2.94Å |
| 105 | D | 97.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 34% | 0.337 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 174.9 | -59.6 | -110.2 | 0 | 0 | 0 | 110.5 | V101 P102 Q107 C108 A109 P127 | V101-D105 HydrophobicContact CG1-CB 3.71Å; P102-D105 VanDerWaalsContact CB-OD2 3.25Å; P102-D105 WeakPolarHBondContact CB-OD2 3.32Å; P102-D105 WeakPolarHBondContact CG-OD2 2.97Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 2.87Å; D105-Q107 VanDerWaalsContact C-N 3.31Å; D105-Q107 PolarHBondContact O-N 2.02Å; D105-C108 PolarHBondContact O-N 2.91Å; D105-A109 VanDerWaalsContact O-CB 3.31Å; D105-A109 WeakPolarHBondContact O-CB 2.96Å; D105-A109 PolarHBondContact O-N 2.87Å; D105-P127 HydrophobicContact CB-CG 4.21Å |
| 106 | L | 96 | Very high | 94.6 | Very high | 95 Ų | 95 | 67 Ų | 67 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 175 | -177.2 | 62.8 | 0 | 0 | 0 | 111.7 | V101 P102 R104 C108 A109 L110 | V101-L106 HydrophobicContact CG1-CB 4.44Å; P102-L106 PolarHBondContact O-N 3.32Å; P102-L106 VanDerWaalsContact O-N 3.12Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-C108 PolarHBondContact O-N 3.48Å; L106-A109 PolarHBondContact O-N 2.97Å; L106-L110 WeakPolarHBondContact O-CG 3.28Å; L106-L110 PolarHBondContact O-N 2.84Å |
| 107 | Q | 97.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 179.5 | -75.8 | 168.8 | 78.8 | 0 | 0 | 113.1 | F103 R104 D105 Y111 L137 L154 T157 | F103-Q107 VanDerWaalsContact O-CG 3.25Å; F103-Q107 WeakPolarHBondContact O-CG 3.38Å; F103-Q107 PolarHBondContact O-N 2.77Å; F103-Q107 VanDerWaalsContact O-N 3.09Å; F103-Q107 PolarHBondContact O-NE2 3.47Å; R104-Q107 WeakPolarHBondContact O-CB 3.24Å; R104-Q107 PolarHBondContact O-N 2.9Å; D105-Q107 VanDerWaalsContact C-N 3.31Å; D105-Q107 PolarHBondContact O-N 2.02Å; Q107-Y111 WeakPolarHBondContact O-CD2 3.41Å; Q107-L137 HydrophobicContact CB-CD1 3.64Å; Q107-L137 HydrophobicContact CB-CD2 3.86Å; Q107-L137 HydrophobicContact CB-CG 4.44Å; Q107-L154 HydrophobicContact CG-CD1 4.29Å; Q107-L154 HydrophobicContact CG-CG 4.49Å; Q107-T157 PolarHBondContact NE2-OG1 3.03Å |
| 108 | C | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 171.7 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | R104 D105 L106 L110 Y111 W125 C139 | R104-C108 PolarHBondContact O-N 3.09Å; D105-C108 PolarHBondContact O-N 2.91Å; L106-C108 PolarHBondContact O-N 3.48Å; C108-L110 PolarHBondContact O-N 2.03Å; C108-L110 VanDerWaalsContact O-N 3.16Å; C108-Y111 PolarHBondContact O-N 2.04Å; C108-W125 HydrophobicContact CB-CB 4.04Å; C108-C139 WeakPolarHBondContact CA-SG 3.48Å; C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 WeakPolarHBondContact CB-SG 3.47Å; C108-C139 WeakPolarHBondContact SG-CB 3.04Å; C108-C139 CovalentContact SG-SG 2.04Å; C108-C139 PolarHBondContact SG-SG 2.66Å |
| 109 | A | 97.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 69 Ų | 69 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -24.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D105 L106 Y111 N112 | D105-A109 VanDerWaalsContact O-CB 3.31Å; D105-A109 WeakPolarHBondContact O-CB 2.96Å; D105-A109 PolarHBondContact O-N 2.87Å; L106-A109 PolarHBondContact O-N 2.97Å; A109-Y111 PolarHBondContact O-N 3.22Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; A109-N112 VanDerWaalsContact O-CB 3.3Å; A109-N112 WeakPolarHBondContact O-CB 3.12Å; A109-N112 PolarHBondContact O-N 2.96Å |
| 110 | L | 96.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.2 | 172.6 | -71.4 | 174 | 0 | 0 | 0 | 113.2 | L106 C108 R114 | L106-L110 WeakPolarHBondContact O-CG 3.28Å; L106-L110 PolarHBondContact O-N 2.84Å; C108-L110 PolarHBondContact O-N 2.03Å; C108-L110 VanDerWaalsContact O-N 3.16Å; L110-R114 PolarHBondContact O-NE 3.04Å |
| 111 | Y | 96.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 78.8 Ų | 78.8 | 31% | 0.314 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.6 | 179.6 | -62.9 | -84.4 | 0 | 0 | 0 | 113.7 | Q107 C108 A109 G113 R114 W125 L137 F150 | Q107-Y111 WeakPolarHBondContact O-CD2 3.41Å; C108-Y111 PolarHBondContact O-N 2.04Å; A109-Y111 PolarHBondContact O-N 3.22Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; Y111-G113 PolarHBondContact O-N 2.87Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.19Å; Y111-W125 VanDerWaalsContact C-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 3.38Å; Y111-L137 HydrophobicContact CE2-CD2 4.04Å; Y111-F150 AromaticContact CD1-CD1 3.54Å; Y111-F150 HydrophobicContact CD1-CD1 3.54Å; Y111-F150 AromaticContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CG 4.14Å; Y111-F150 HydrophobicContact CD1-CZ 4.24Å; Y111-F150 HydrophobicContact CD2-CB 4.18Å; Y111-F150 HydrophobicContact CD2-CD1 4.08Å; Y111-F150 AromaticContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CE1 4.46Å; Y111-F150 HydrophobicContact CD2-CE2 4.34Å; Y111-F150 AromaticContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CE1-CB 4.37Å; Y111-F150 AromaticContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CE1 4.1Å; Y111-F150 HydrophobicContact CE1-CG 4.11Å; Y111-F150 HydrophobicContact CE2-CB 3.67Å; Y111-F150 HydrophobicContact CE2-CD1 4.11Å; Y111-F150 HydrophobicContact CE2-CD2 4.32Å; Y111-F150 AromaticContact CE2-CG 3.78Å; Y111-F150 HydrophobicContact CE2-CG 3.78Å; Y111-F150 AromaticContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD2 4.17Å; Y111-F150 AromaticContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE2 4.17Å; Y111-F150 AromaticContact CG-CG 3.99Å; Y111-F150 HydrophobicContact CG-CG 3.99Å; Y111-F150 AromaticContact CG-CZ 3.99Å; Y111-F150 HydrophobicContact CG-CZ 3.99Å; Y111-F150 AromaticContact CZ-CD1 3.86Å; Y111-F150 AromaticContact CZ-CG 3.93Å |
| 112 | N | 96.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 77.8 Ų | 77.8 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 135.9 | 177.9 | -71.1 | -7 | 0 | 0 | 0 | 111.1 | A109 R114 Q124 W125 | A109-N112 VanDerWaalsContact O-CB 3.3Å; A109-N112 WeakPolarHBondContact O-CB 3.12Å; A109-N112 PolarHBondContact O-N 2.96Å; N112-R114 PolarHBondContact O-N 3.48Å; N112-R114 VanDerWaalsContact O-N 3.11Å; N112-Q124 PolarHBondContact ND2-OE1 2.04Å; N112-W125 WeakPolarHBondContact OD1-CB 3.43Å; N112-W125 PolarHBondContact OD1-N 2.89Å |
| 113 | G | 94.7 | Very high | 92.9 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 44% | 0.443 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 3.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y111 T122 Y123 | Y111-G113 PolarHBondContact O-N 2.87Å; G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.25Å; G113-Y123 PolarHBondContact N-O 2.81Å; G113-Y123 VanDerWaalsContact N-O 3.11Å |
| 114 | R | 94 | Very high | 93.1 | Very high | 151 Ų | 151 | 76.5 Ų | 76.5 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 139.2 | 174.6 | -56.7 | -171.5 | -171.5 | -128.4 | -1.6 | 110.5 | L110 Y111 N112 | L110-R114 PolarHBondContact O-NE 3.04Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.19Å; N112-R114 PolarHBondContact O-N 3.48Å; N112-R114 VanDerWaalsContact O-N 3.11Å |
| 115 | P | 91.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -67 | 136.8 | 176.6 | 25.3 | -31.5 | 0 | 0 | 0 | 110.9 | T119 K121 | P115-T119 WeakPolarHBondContact CB-O 3.47Å; P115-K121 WeakPolarHBondContact CA-O 3.42Å |
| 116 | V | 87.5 | Confident | 93.2 | Very high | 19 Ų | 19 | 76 Ų | 76 | 12% | 0.115 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 139.3 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | G118 T119 K121 Y123 W125 H148 | V116-G118 PolarHBondContact O-N 2.85Å; V116-T119 PolarHBondContact O-N 3.1Å; V116-T119 PolarHBondContact O-OG1 2.96Å; V116-K121 PolarHBondContact N-O 2.78Å; V116-Y123 HydrophobicContact CG2-CD2 3.97Å; V116-Y123 HydrophobicContact CG2-CE2 4.13Å; V116-W125 HydrophobicContact CG2-CH2 3.92Å; V116-W125 HydrophobicContact CG2-CZ2 3.4Å; V116-W125 VanDerWaalsContact CG2-CZ2 3.4Å; V116-H148 VanDerWaalsContact CG1-CD2 3.41Å; V116-H148 WeakPolarHBondContact CG1-CD2 3.08Å |
| 117 | L | 81.8 | Confident | 93.3 | Very high | 162 Ų | 162 | 72.7 Ų | 72.7 | 85% | 0.848 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | 123.8 | -179.8 | -68 | 172.7 | 0 | 0 | 0 | 111.3 | ||
| 118 | G | 80.1 | Confident | 93.2 | Very high | 88 Ų | 88 | 75 Ų | 75 | 91% | 0.907 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -0.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V116 | V116-G118 PolarHBondContact O-N 2.85Š|
| 119 | T | 83 | Confident | 93.1 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 43% | 0.429 | 43% | 0.425 | S | S | . | . | trans | -139.3 | 159.3 | 176.3 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | P115 V116 | P115-T119 WeakPolarHBondContact CB-O 3.47Å; V116-T119 PolarHBondContact O-N 3.1Å; V116-T119 PolarHBondContact O-OG1 2.96Å | ||
| 120 | Q | 88.4 | Confident | 92.9 | Very high | 191 Ų | 191 | 78.9 Ų | 78.9 | 89% | 0.893 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -93.2 | 3.5 | 169.3 | -81.7 | 162.7 | -35.7 | 0 | 0 | 113.1 | ||
| 121 | K | 91.3 | Very high | 92.7 | Very high | 139 Ų | 139 | 74.5 Ų | 74.5 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | trans | -80.5 | 140.8 | -179 | -67.7 | -172.6 | 177.5 | -175.8 | 0 | 110.4 | P115 V116 Y123 | P115-K121 WeakPolarHBondContact CA-O 3.42Å; V116-K121 PolarHBondContact N-O 2.78Å; K121-Y123 HydrophobicContact CB-CE2 3.77Å; K121-Y123 WeakPolarHBondContact CB-OH 3.4Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.09Å | ||
| 122 | T | 95.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 77.1 Ų | 77.1 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -116.1 | 152.5 | 177.8 | 63.4 | 0 | 0 | 0 | 0 | 109.3 | G113 | G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.25Å |
| 123 | Y | 96.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 77.4 Ų | 77.4 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | trans | -140.7 | 164.6 | -175.8 | -56.1 | -84.7 | 0 | 0 | 0 | 110.5 | G113 V116 K121 W125 A141 H144 F146 | G113-Y123 PolarHBondContact N-O 2.81Å; G113-Y123 VanDerWaalsContact N-O 3.11Å; V116-Y123 HydrophobicContact CG2-CD2 3.97Å; V116-Y123 HydrophobicContact CG2-CE2 4.13Å; K121-Y123 HydrophobicContact CB-CE2 3.77Å; K121-Y123 WeakPolarHBondContact CB-OH 3.4Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.09Å; Y123-W125 HydrophobicContact CD2-CH2 4.27Å; Y123-W125 AromaticContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CG-CZ2 4.21Å; Y123-A141 HydrophobicContact CD1-CB 4Å; Y123-A141 HydrophobicContact CG-CB 4.07Å; Y123-H144 AromaticContact CD1-CE1 3.97Å; Y123-H144 AromaticContact CE1-NE2 3.85Å; Y123-F146 HydrophobicContact CD1-CZ 4.15Å; Y123-F146 HydrophobicContact CD2-CZ 4.21Å; Y123-F146 HydrophobicContact CE1-CE1 4.03Å; Y123-F146 AromaticContact CE1-CZ 3.79Å; Y123-F146 HydrophobicContact CE1-CZ 3.79Å; Y123-F146 AromaticContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CG-CZ 4.34Å; Y123-F146 AromaticContact CZ-CZ 3.63Å | ||
| 124 | Q | 97.7 | Very high | 92.6 | Very high | 99 Ų | 99 | 78.9 Ų | 78.9 | 46% | 0.463 | 44% | 0.441 | S | S | . | . | trans | -95.5 | 137.2 | 161.2 | -60.6 | -59.8 | -34.9 | 0 | 0 | 108.2 | N112 E142 | N112-Q124 PolarHBondContact ND2-OE1 2.04Å; Q124-E142 HydrophobicContact CB-CB 4.19Å; Q124-E142 PolarHBondContact O-N 3.4Å | ||
| 125 | W | 97.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130 | -170 | -63.3 | 102.3 | 0 | 0 | 0 | 110.9 | C108 Y111 N112 V116 Y123 C139 L140 A141 F146 H148 F150 | C108-W125 HydrophobicContact CB-CB 4.04Å; Y111-W125 VanDerWaalsContact C-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 3.38Å; N112-W125 WeakPolarHBondContact OD1-CB 3.43Å; N112-W125 PolarHBondContact OD1-N 2.89Å; V116-W125 HydrophobicContact CG2-CH2 3.92Å; V116-W125 HydrophobicContact CG2-CZ2 3.4Å; V116-W125 VanDerWaalsContact CG2-CZ2 3.4Å; Y123-W125 HydrophobicContact CD2-CH2 4.27Å; Y123-W125 AromaticContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CG-CZ2 4.21Å; W125-C139 HydrophobicContact CB-CB 3.93Å; W125-C139 HydrophobicContact CD2-CB 4.27Å; W125-C139 HydrophobicContact CE3-CB 3.76Å; W125-C139 VanDerWaalsContact CE3-O 3.26Å; W125-C139 HydrophobicContact CG-CB 4.38Å; W125-C139 VanDerWaalsContact CZ3-O 3.27Å; W125-C139 WeakPolarHBondContact CZ3-O 3.24Å; W125-L140 WeakPolarHBondContact CA-O 3.42Å; W125-A141 HydrophobicContact CE3-CB 4.25Å; W125-A141 HydrophobicContact CH2-CB 4.24Å; W125-A141 HydrophobicContact CZ3-CB 3.88Å; W125-F146 AromaticContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CZ3-CE2 4.31Å; W125-H148 HydrophobicContact CH2-CB 3.69Å; W125-H148 HydrophobicContact CZ3-CB 3.74Å; W125-F150 AromaticContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CZ 4.14Å; W125-F150 AromaticContact CE2-CZ 3.78Å; W125-F150 HydrophobicContact CE3-CE2 4.04Å; W125-F150 HydrophobicContact CE3-CZ 4.47Å; W125-F150 HydrophobicContact CG-CE2 4.38Å; W125-F150 HydrophobicContact CH2-CE2 4.44Å; W125-F150 HydrophobicContact CH2-CZ 4.17Å; W125-F150 HydrophobicContact CZ2-CE2 4.35Å; W125-F150 AromaticContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ3-CE2 4.3Å; W125-F150 HydrophobicContact CZ3-CZ 4.47Å |
| 126 | V | 97.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 151.7 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | F128 C139 L140 | V126-F128 PolarHBondContact O-N 3.28Å; V126-C139 CarbonylContact O-C 3.45Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.4Å; V126-L140 HydrophobicContact CG2-CB 4Å; V126-L140 HydrophobicContact CG2-CD2 4.39Å; V126-L140 PolarHBondContact N-O 3.06Å; V126-L140 PolarHBondContact O-N 2.89Å |
| 127 | P | 97.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 69.1 Ų | 69.1 | 17% | 0.169 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 131.8 | 179.7 | -27 | 36.4 | 0 | 0 | 0 | 113.3 | R104 D105 | R104-P127 HydrophobicContact CB-CG 4.34Å; R104-P127 HydrophobicContact CG-CB 3.99Å; R104-P127 HydrophobicContact CG-CG 4.12Å; D105-P127 HydrophobicContact CB-CG 4.21Å |
| 128 | F | 97.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 25% | 0.254 | 36% | 0.356 | S | S | . | . | trans | -109.6 | 124.6 | 169.9 | -176.9 | -112.1 | 0 | 0 | 0 | 110.2 | R104 V126 A131 N138 L140 Y147 | R104-F128 PolarHBondContact NH2-O 2.99Å; R104-F128 VanDerWaalsContact NH2-O 3.12Å; V126-F128 PolarHBondContact O-N 3.28Å; F128-A131 HydrophobicContact CD1-CB 4.29Å; F128-A131 HydrophobicContact CE1-CB 4.24Å; F128-N138 HydrophobicContact CB-CB 4.21Å; F128-N138 HydrophobicContact CD1-CB 4.11Å; F128-N138 PolarHBondContact N-O 3.03Å; F128-L140 HydrophobicContact CB-CB 4.18Å; F128-Y147 AromaticContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD2 4.04Å; F128-Y147 HydrophobicContact CD1-CE1 4.18Å; F128-Y147 HydrophobicContact CD1-CE2 4.42Å; F128-Y147 AromaticContact CD1-CG 3.71Å; F128-Y147 HydrophobicContact CD1-CG 3.71Å; F128-Y147 AromaticContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD2 4.5Å; F128-Y147 AromaticContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CG 4.05Å; F128-Y147 HydrophobicContact CG-CG 4.31Å; F128-Y147 HydrophobicContact CZ-CD1 4.25Å; F128-Y147 HydrophobicContact CZ-CE1 4.42Å | ||
| 129 | H | 95.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | trans | -107.9 | -0.3 | -177.8 | -66.6 | -83.2 | 0 | 0 | 0 | 113.8 | R104 A131 C159 | R104-H129 WeakPolarHBondContact CD-CE1 3.38Å; R104-H129 VanDerWaalsContact CZ-CE1 3.48Å; R104-H129 PolarHBondContact NE-CE1 3.48Å; R104-H129 PolarHBondContact NH1-CE1 3Å; R104-H129 PolarHBondContact NH1-ND1 2.02Å; H129-A131 VanDerWaalsContact C-N 3.29Å; H129-A131 PolarHBondContact O-N 3.32Å; H129-C159 PolarHBondContact ND1-O 3.43Å | ||
| 130 | G | 93.2 | Very high | 95.9 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | trans | -82.1 | 0.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 131 | A | 93.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -80.1 | 153.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F128 H129 N133 N138 | F128-A131 HydrophobicContact CD1-CB 4.29Å; F128-A131 HydrophobicContact CE1-CB 4.24Å; H129-A131 VanDerWaalsContact C-N 3.29Å; H129-A131 PolarHBondContact O-N 3.32Å; A131-N133 PolarHBondContact O-N 2.96Å; A131-N138 HydrophobicContact CB-CB 4.17Å; A131-N138 WeakPolarHBondContact CB-ND2 3.41Å |
| 132 | P | 93.1 | Very high | 96.6 | Very high | 134 Ų | 134 | 46.9 Ų | 46.9 | 87% | 0.87 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -57.6 | -42.6 | -175.4 | -26.5 | 34.5 | 0 | 0 | 0 | 114.3 | ||
| 133 | N | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | -96.4 | 111.4 | 174.2 | -173.3 | 2.8 | 0 | 0 | 0 | 110.4 | A131 C135 D136 G170 | A131-N133 PolarHBondContact O-N 2.96Å; N133-C135 PolarHBondContact O-N 3.43Å; N133-C135 PolarHBondContact OD1-N 3.29Å; N133-D136 HydrophobicContact CB-CB 4.47Å; N133-D136 WeakPolarHBondContact CB-OD2 3.26Å; N133-D136 PolarHBondContact ND2-OD1 3.23Å; N133-D136 PolarHBondContact ND2-OD2 3.18Å; N133-D136 PolarHBondContact O-N 3.13Å; N133-G170 PolarHBondContact ND2-O 3.32Å; N133-G170 PolarHBondContact OD1-O 3Å | ||
| 134 | Q | 96.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.3 | 179.4 | -66.4 | 172.4 | 52.1 | 0 | 0 | 112.9 | R104 C159 | R104-Q134 PolarHBondContact NH1-O 2.77Å; R104-Q134 PolarHBondContact NH2-O 3.44Å; Q134-C159 HydrophobicContact CB-CB 4.11Å |
| 135 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.6 | -177.3 | -63.3 | 0 | 0 | 0 | 0 | 114.4 | N133 R152 V153 C167 G170 R171 C172 | N133-C135 PolarHBondContact O-N 3.43Å; N133-C135 PolarHBondContact OD1-N 3.29Å; C135-R152 WeakPolarHBondContact O-CA 3.05Å; C135-V153 HydrophobicContact CB-CG2 4.27Å; C135-V153 PolarHBondContact O-N 3.38Å; C135-C167 WeakPolarHBondContact CA-SG 3.13Å; C135-C167 HydrophobicContact CB-CB 3.65Å; C135-C167 WeakPolarHBondContact CB-SG 3.36Å; C135-C167 WeakPolarHBondContact SG-CA 3.47Å; C135-C167 WeakPolarHBondContact SG-CB 3.28Å; C135-C167 CovalentContact SG-SG 2.04Å; C135-C167 PolarHBondContact SG-SG 2.73Å; C135-G170 WeakPolarHBondContact CB-O 3.43Å; C135-R171 PolarHBondContact SG-O 2.81Å; C135-C172 VanDerWaalsContact SG-CA 3.59Å; C135-C172 PolarHBondContact SG-N 2.95Å |
| 136 | D | 97.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 138.8 | 161.9 | -66.9 | -19.7 | 0 | 0 | 0 | 109.4 | R104 N133 N138 G151 | R104-D136 PolarHBondContact NH2-O 3.39Å; R104-D136 VanDerWaalsContact NH2-O 3.12Å; N133-D136 HydrophobicContact CB-CB 4.47Å; N133-D136 WeakPolarHBondContact CB-OD2 3.26Å; N133-D136 PolarHBondContact ND2-OD1 3.23Å; N133-D136 PolarHBondContact ND2-OD2 3.18Å; N133-D136 PolarHBondContact O-N 3.13Å; D136-N138 WeakPolarHBondContact CB-ND2 3.42Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.47Å; D136-G151 CarbonylContact C-O 3.6Å; D136-G151 VanDerWaalsContact CA-O 3.29Å; D136-G151 WeakPolarHBondContact CA-O 2.98Å |
| 137 | L | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 73 | 177.7 | -174.8 | 63.5 | 0 | 0 | 0 | 109.4 | R104 Q107 Y111 S149 F150 G151 V153 | R104-L137 HydrophobicContact CG-CD1 4.33Å; Q107-L137 HydrophobicContact CB-CD1 3.64Å; Q107-L137 HydrophobicContact CB-CD2 3.86Å; Q107-L137 HydrophobicContact CB-CG 4.44Å; Y111-L137 HydrophobicContact CE2-CD2 4.04Å; L137-S149 WeakPolarHBondContact O-CA 3.3Å; L137-F150 HydrophobicContact CB-CB 4.45Å; L137-F150 HydrophobicContact CD2-CB 3.88Å; L137-F150 HydrophobicContact CG-CB 4.22Å; L137-F150 PolarHBondContact O-N 3.21Å; L137-G151 PolarHBondContact N-O 2.68Å; L137-V153 HydrophobicContact CB-CG1 3.95Å; L137-V153 HydrophobicContact CD1-CG1 3.98Å |
| 138 | N | 97.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124 | 171.9 | -61.6 | -71.9 | 0 | 0 | 0 | 108.9 | F128 A131 D136 Y147 H148 S149 | F128-N138 HydrophobicContact CB-CB 4.21Å; F128-N138 HydrophobicContact CD1-CB 4.11Å; F128-N138 PolarHBondContact N-O 3.03Å; A131-N138 HydrophobicContact CB-CB 4.17Å; A131-N138 WeakPolarHBondContact CB-ND2 3.41Å; D136-N138 WeakPolarHBondContact CB-ND2 3.42Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.47Å; N138-Y147 HydrophobicContact CB-CD2 3.89Å; N138-Y147 HydrophobicContact CB-CE2 4.24Å; N138-Y147 WeakPolarHBondContact OD1-CE2 3.34Å; N138-H148 WeakPolarHBondContact CA-O 3.09Å; N138-S149 WeakPolarHBondContact OD1-CB 3.35Å |
| 139 | C | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 110 | C108 W125 V126 Y147 H148 F150 | C108-C139 WeakPolarHBondContact CA-SG 3.48Å; C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 WeakPolarHBondContact CB-SG 3.47Å; C108-C139 WeakPolarHBondContact SG-CB 3.04Å; C108-C139 CovalentContact SG-SG 2.04Å; C108-C139 PolarHBondContact SG-SG 2.66Å; W125-C139 HydrophobicContact CB-CB 3.93Å; W125-C139 HydrophobicContact CD2-CB 4.27Å; W125-C139 HydrophobicContact CE3-CB 3.76Å; W125-C139 VanDerWaalsContact CE3-O 3.26Å; W125-C139 HydrophobicContact CG-CB 4.38Å; W125-C139 VanDerWaalsContact CZ3-O 3.27Å; W125-C139 WeakPolarHBondContact CZ3-O 3.24Å; V126-C139 CarbonylContact O-C 3.45Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.4Å; C139-Y147 CarbonylContact O-C 3.51Å; C139-Y147 WeakPolarHBondContact O-CA 3.38Å; C139-Y147 VanDerWaalsContact O-CB 3.28Å; C139-Y147 WeakPolarHBondContact O-CB 2.96Å; C139-H148 PolarHBondContact N-O 3.22Å; C139-H148 PolarHBondContact O-N 2.95Å; C139-F150 HydrophobicContact CB-CD2 4.13Å; C139-F150 HydrophobicContact CB-CE2 4Å |
| 140 | L | 97.6 | Very high | 95.9 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.7 | 175.4 | -176.3 | 74.4 | 0 | 0 | 0 | 109.2 | W125 V126 F128 E142 F146 | W125-L140 WeakPolarHBondContact CA-O 3.42Å; V126-L140 HydrophobicContact CG2-CB 4Å; V126-L140 HydrophobicContact CG2-CD2 4.39Å; V126-L140 PolarHBondContact N-O 3.06Å; V126-L140 PolarHBondContact O-N 2.89Å; F128-L140 HydrophobicContact CB-CB 4.18Å; L140-E142 PolarHBondContact O-N 3.5Å; L140-F146 WeakPolarHBondContact CD1-O 3.28Å |
| 141 | A | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y123 W125 G143 H144 F146 | Y123-A141 HydrophobicContact CD1-CB 4Å; Y123-A141 HydrophobicContact CG-CB 4.07Å; W125-A141 HydrophobicContact CE3-CB 4.25Å; W125-A141 HydrophobicContact CH2-CB 4.24Å; W125-A141 HydrophobicContact CZ3-CB 3.88Å; A141-G143 PolarHBondContact O-N 3.07Å; A141-H144 HydrophobicContact CB-CB 3.93Å; A141-H144 WeakPolarHBondContact O-CB 3.32Å; A141-H144 PolarHBondContact O-N 2.85Å; A141-F146 HydrophobicContact CB-CD1 4.4Å; A141-F146 HydrophobicContact CB-CE1 3.81Å; A141-F146 HydrophobicContact CB-CE2 3.93Å; A141-F146 HydrophobicContact CB-CZ 3.53Å; A141-F146 PolarHBondContact N-O 3.22Å |
| 142 | E | 97.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 133.4 | -176.9 | -168.5 | 173.3 | -133.5 | 0 | 0 | 110.9 | Q124 L140 H144 | Q124-E142 HydrophobicContact CB-CB 4.19Å; Q124-E142 PolarHBondContact O-N 3.4Å; L140-E142 PolarHBondContact O-N 3.5Å; E142-H144 PolarHBondContact O-N 2.82Å; E142-H144 PolarHBondContact O-ND1 3.39Å |
| 143 | G | 95.8 | Very high | 96.4 | Very high | 84 Ų | 84 | 57.1 Ų | 57.1 | 87% | 0.866 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 5.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A141 | A141-G143 PolarHBondContact O-N 3.07Š|
| 144 | H | 94.6 | Very high | 96.4 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -128.9 | 156.1 | -177.9 | -60 | 75.8 | 0 | 0 | 0 | 111.9 | Y123 A141 E142 F146 | Y123-H144 AromaticContact CD1-CE1 3.97Å; Y123-H144 AromaticContact CE1-NE2 3.85Å; A141-H144 HydrophobicContact CB-CB 3.93Å; A141-H144 WeakPolarHBondContact O-CB 3.32Å; A141-H144 PolarHBondContact O-N 2.85Å; E142-H144 PolarHBondContact O-N 2.82Å; E142-H144 PolarHBondContact O-ND1 3.39Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 HydrophobicContact CB-CD1 3.79Å; H144-F146 HydrophobicContact CB-CE1 3.65Å; H144-F146 PolarHBondContact O-N 3.46Å |
| 145 | A | 94.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 92% | 0.917 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -95.5 | 36.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 146 | F | 94.1 | Very high | 96 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | trans | -143.8 | 150.5 | 176.3 | 75.5 | -86.8 | 0 | 0 | 0 | 111.3 | Y123 W125 L140 A141 H144 | Y123-F146 HydrophobicContact CD1-CZ 4.15Å; Y123-F146 HydrophobicContact CD2-CZ 4.21Å; Y123-F146 HydrophobicContact CE1-CE1 4.03Å; Y123-F146 AromaticContact CE1-CZ 3.79Å; Y123-F146 HydrophobicContact CE1-CZ 3.79Å; Y123-F146 AromaticContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CG-CZ 4.34Å; Y123-F146 AromaticContact CZ-CZ 3.63Å; W125-F146 AromaticContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CZ3-CE2 4.31Å; L140-F146 WeakPolarHBondContact CD1-O 3.28Å; A141-F146 HydrophobicContact CB-CD1 4.4Å; A141-F146 HydrophobicContact CB-CE1 3.81Å; A141-F146 HydrophobicContact CB-CE2 3.93Å; A141-F146 HydrophobicContact CB-CZ 3.53Å; A141-F146 PolarHBondContact N-O 3.22Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 HydrophobicContact CB-CD1 3.79Å; H144-F146 HydrophobicContact CB-CE1 3.65Å; H144-F146 PolarHBondContact O-N 3.46Å | ||
| 147 | Y | 95.4 | Very high | 95.9 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 157.9 | 171.3 | 71.7 | -89.2 | 0 | 0 | 0 | 110.1 | F128 N138 C139 | F128-Y147 AromaticContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD2 4.04Å; F128-Y147 HydrophobicContact CD1-CE1 4.18Å; F128-Y147 HydrophobicContact CD1-CE2 4.42Å; F128-Y147 AromaticContact CD1-CG 3.71Å; F128-Y147 HydrophobicContact CD1-CG 3.71Å; F128-Y147 AromaticContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD2 4.5Å; F128-Y147 AromaticContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CG 4.05Å; F128-Y147 HydrophobicContact CG-CG 4.31Å; F128-Y147 HydrophobicContact CZ-CD1 4.25Å; F128-Y147 HydrophobicContact CZ-CE1 4.42Å; N138-Y147 HydrophobicContact CB-CD2 3.89Å; N138-Y147 HydrophobicContact CB-CE2 4.24Å; N138-Y147 WeakPolarHBondContact OD1-CE2 3.34Å; C139-Y147 CarbonylContact O-C 3.51Å; C139-Y147 WeakPolarHBondContact O-CA 3.38Å; C139-Y147 VanDerWaalsContact O-CB 3.28Å; C139-Y147 WeakPolarHBondContact O-CB 2.96Å |
| 148 | H | 95.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.8 | 173.2 | -171 | -70.2 | 0 | 0 | 0 | 109.3 | V116 W125 N138 C139 F150 | V116-H148 VanDerWaalsContact CG1-CD2 3.41Å; V116-H148 WeakPolarHBondContact CG1-CD2 3.08Å; W125-H148 HydrophobicContact CH2-CB 3.69Å; W125-H148 HydrophobicContact CZ3-CB 3.74Å; N138-H148 WeakPolarHBondContact CA-O 3.09Å; C139-H148 PolarHBondContact N-O 3.22Å; C139-H148 PolarHBondContact O-N 2.95Å; H148-F150 HydrophobicContact CB-CE2 4.15Å; H148-F150 HydrophobicContact CB-CZ 4.12Å; H148-F150 AromaticContact ND1-CD1 3.74Å; H148-F150 AromaticContact ND1-CE1 3.61Å; H148-F150 AromaticContact ND1-CZ 3.83Å |
| 149 | S | 95.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 59.2 Ų | 59.2 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.5 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L137 N138 | L137-S149 WeakPolarHBondContact O-CA 3.3Å; N138-S149 WeakPolarHBondContact OD1-CB 3.35Å |
| 150 | F | 95.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 20.8 | 178.3 | -66.5 | -71.8 | 0 | 0 | 0 | 112.9 | Y111 W125 L137 C139 H148 | Y111-F150 AromaticContact CD1-CD1 3.54Å; Y111-F150 HydrophobicContact CD1-CD1 3.54Å; Y111-F150 AromaticContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CG 4.14Å; Y111-F150 HydrophobicContact CD1-CZ 4.24Å; Y111-F150 HydrophobicContact CD2-CB 4.18Å; Y111-F150 HydrophobicContact CD2-CD1 4.08Å; Y111-F150 AromaticContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CE1 4.46Å; Y111-F150 HydrophobicContact CD2-CE2 4.34Å; Y111-F150 AromaticContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CE1-CB 4.37Å; Y111-F150 AromaticContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CE1 4.1Å; Y111-F150 HydrophobicContact CE1-CG 4.11Å; Y111-F150 HydrophobicContact CE2-CB 3.67Å; Y111-F150 HydrophobicContact CE2-CD1 4.11Å; Y111-F150 HydrophobicContact CE2-CD2 4.32Å; Y111-F150 AromaticContact CE2-CG 3.78Å; Y111-F150 HydrophobicContact CE2-CG 3.78Å; Y111-F150 AromaticContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD2 4.17Å; Y111-F150 AromaticContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE2 4.17Å; Y111-F150 AromaticContact CG-CG 3.99Å; Y111-F150 HydrophobicContact CG-CG 3.99Å; Y111-F150 AromaticContact CG-CZ 3.99Å; Y111-F150 HydrophobicContact CG-CZ 3.99Å; Y111-F150 AromaticContact CZ-CD1 3.86Å; Y111-F150 AromaticContact CZ-CG 3.93Å; W125-F150 AromaticContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CZ 4.14Å; W125-F150 AromaticContact CE2-CZ 3.78Å; W125-F150 HydrophobicContact CE3-CE2 4.04Å; W125-F150 HydrophobicContact CE3-CZ 4.47Å; W125-F150 HydrophobicContact CG-CE2 4.38Å; W125-F150 HydrophobicContact CH2-CE2 4.44Å; W125-F150 HydrophobicContact CH2-CZ 4.17Å; W125-F150 HydrophobicContact CZ2-CE2 4.35Å; W125-F150 AromaticContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ3-CE2 4.3Å; W125-F150 HydrophobicContact CZ3-CZ 4.47Å; L137-F150 HydrophobicContact CB-CB 4.45Å; L137-F150 HydrophobicContact CD2-CB 3.88Å; L137-F150 HydrophobicContact CG-CB 4.22Å; L137-F150 PolarHBondContact O-N 3.21Å; C139-F150 HydrophobicContact CB-CD2 4.13Å; C139-F150 HydrophobicContact CB-CE2 4Å; H148-F150 HydrophobicContact CB-CE2 4.15Å; H148-F150 HydrophobicContact CB-CZ 4.12Å; H148-F150 AromaticContact ND1-CD1 3.74Å; H148-F150 AromaticContact ND1-CE1 3.61Å; H148-F150 AromaticContact ND1-CZ 3.83Å |
| 151 | G | 96.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.8 | -139.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D136 L137 | D136-G151 CarbonylContact C-O 3.6Å; D136-G151 VanDerWaalsContact CA-O 3.29Å; D136-G151 WeakPolarHBondContact CA-O 2.98Å; L137-G151 PolarHBondContact N-O 2.68Å |
| 152 | R | 97.7 | Very high | 94.8 | Very high | 172 Ų | 172 | 67.1 Ų | 67.1 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 147.6 | -179.7 | -66.2 | 177.2 | -175.8 | 171.8 | 3.6 | 110.8 | C135 | C135-R152 WeakPolarHBondContact O-CA 3.05Å |
| 153 | V | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.036 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 155.5 | 169.2 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | C135 L137 T157 C167 | C135-V153 HydrophobicContact CB-CG2 4.27Å; C135-V153 PolarHBondContact O-N 3.38Å; L137-V153 HydrophobicContact CB-CG1 3.95Å; L137-V153 HydrophobicContact CD1-CG1 3.98Å; V153-T157 HydrophobicContact CB-CG2 4.06Å; V153-T157 HydrophobicContact CG1-CG2 4.39Å; V153-T157 HydrophobicContact CG2-CG2 4.15Å; V153-C167 HydrophobicContact CG2-CB 3.29Å; V153-C167 VanDerWaalsContact CG2-SG 3.52Å |
| 154 | L | 94.6 | Very high | 94.2 | Very high | 107 Ų | 107 | 66.1 Ų | 66.1 | 56% | 0.56 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -64 | 144.9 | 173.3 | -66 | 174.7 | 0 | 0 | 0 | 111.4 | Q107 G156 T157 | Q107-L154 HydrophobicContact CG-CD1 4.29Å; Q107-L154 HydrophobicContact CG-CG 4.49Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-T157 VanDerWaalsContact O-CB 3.24Å; L154-T157 WeakPolarHBondContact O-CB 3.15Å; L154-T157 PolarHBondContact O-N 3.35Å; L154-T157 PolarHBondContact O-OG1 3.16Å |
| 155 | D | 94.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 132.2 | 178.7 | -74.5 | -5.2 | 0 | 0 | 0 | 111.5 | C167 V168 A169 | D155-C167 CarbonylContact C-O 3.56Å; D155-C167 VanDerWaalsContact CA-O 3.28Å; D155-C167 WeakPolarHBondContact CA-O 3.49Å; D155-V168 WeakPolarHBondContact OD1-CA 3.38Å; D155-A169 PolarHBondContact OD1-N 2.99Å |
| 156 | G | 93.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -5.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V65 L154 A158 C167 | V65-G156 VanDerWaalsContact CG2-CA 3.45Å; L154-G156 PolarHBondContact O-N 3.37Å; G156-A158 PolarHBondContact O-N 2.8Å; G156-C167 PolarHBondContact N-O 2.6Å |
| 157 | T | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | trans | -63.1 | 133.3 | 168.8 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | F103 R104 Q107 V153 L154 V166 C167 | F103-T157 HydrophobicContact CB-CG2 4.5Å; R104-T157 HydrophobicContact CB-CG2 3.69Å; R104-T157 HydrophobicContact CG-CG2 4.17Å; Q107-T157 PolarHBondContact NE2-OG1 3.03Å; V153-T157 HydrophobicContact CB-CG2 4.06Å; V153-T157 HydrophobicContact CG1-CG2 4.39Å; V153-T157 HydrophobicContact CG2-CG2 4.15Å; L154-T157 VanDerWaalsContact O-CB 3.24Å; L154-T157 WeakPolarHBondContact O-CB 3.15Å; L154-T157 PolarHBondContact O-N 3.35Å; L154-T157 PolarHBondContact O-OG1 3.16Å; T157-V166 CarbonylContact O-C 3.51Å; T157-V166 WeakPolarHBondContact O-CA 3.43Å; T157-C167 WeakPolarHBondContact O-CB 3.47Å; T157-C167 PolarHBondContact O-N 2.02Å | ||
| 158 | A | 94.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 140.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G156 | G156-A158 PolarHBondContact O-N 2.8Å |
| 159 | C | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -66.6 | -45.2 | -176.8 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | R104 H129 Q134 G165 V166 C172 | R104-C159 PolarHBondContact NH1-O 2.94Å; H129-C159 PolarHBondContact ND1-O 3.43Å; Q134-C159 HydrophobicContact CB-CB 4.11Å; C159-G165 PolarHBondContact N-O 2.94Å; C159-G165 PolarHBondContact SG-O 3.42Å; C159-V166 VanDerWaalsContact SG-C 3.52Å; C159-C172 HydrophobicContact CB-CB 3.82Å; C159-C172 WeakPolarHBondContact CB-SG 3.42Å; C159-C172 WeakPolarHBondContact SG-CA 3.31Å; C159-C172 WeakPolarHBondContact SG-CB 3.4Å; C159-C172 CovalentContact SG-SG 2.02Å; C159-C172 PolarHBondContact SG-SG 2.9Å |
| 160 | S | 94.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -147.4 | 163.8 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | G162 A163 | S160-G162 PolarHBondContact O-N 2.9Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 PolarHBondContact O-N 2.94Å; S160-A163 VanDerWaalsContact O-N 3.12Å; S160-A163 WeakPolarHBondContact OG-CB 3.38Å |
| 161 | P | 92.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 52.2 Ų | 52.2 | 66% | 0.662 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 128.4 | 174.2 | -22.9 | 35.4 | 0 | 0 | 0 | 109.9 | A163 | P161-A163 PolarHBondContact O-N 3.49Š|
| 162 | G | 89 | Confident | 94.3 | Very high | 85 Ų | 85 | 53 Ų | 53 | 88% | 0.876 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S160 | S160-G162 PolarHBondContact O-N 2.9Š|
| 163 | A | 90 | Very high | 94.2 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | trans | -66 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R63 S160 P161 | R63-A163 PolarHBondContact NH1-O 3.37Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 PolarHBondContact O-N 2.94Å; S160-A163 VanDerWaalsContact O-N 3.12Å; S160-A163 WeakPolarHBondContact OG-CB 3.38Å; P161-A163 PolarHBondContact O-N 3.49Å | ||
| 164 | Q | 90.1 | Very high | 94.1 | Very high | 158 Ų | 158 | 48.8 Ų | 48.8 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -76.4 | -29.2 | 169.9 | -63.2 | -170.7 | 4.4 | 0 | 0 | 111.8 | R63 | R63-Q164 PolarHBondContact NH1-O 3.3Å; R63-Q164 VanDerWaalsContact NH1-O 3.13Å |
| 165 | G | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -74.7 | 157.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | C159 L173 | C159-G165 PolarHBondContact N-O 2.94Å; C159-G165 PolarHBondContact SG-O 3.42Å; G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.48Å | ||
| 166 | V | 95.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.4 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | V65 L90 T157 C159 V168 L173 L181 | V65-V166 HydrophobicContact CG2-CB 4.33Å; V65-V166 HydrophobicContact CG2-CG2 3.58Å; L90-V166 HydrophobicContact CD2-CG1 3.93Å; L90-V166 HydrophobicContact CD2-CG2 3.71Å; T157-V166 CarbonylContact O-C 3.51Å; T157-V166 WeakPolarHBondContact O-CA 3.43Å; C159-V166 VanDerWaalsContact SG-C 3.52Å; V166-V168 HydrophobicContact CG2-CG2 4.36Å; V166-L173 PolarHBondContact N-O 2.97Å; V166-L173 PolarHBondContact O-N 2.94Å; V166-L181 HydrophobicContact CG2-CD1 3.67Å; V166-L181 HydrophobicContact CG2-CD2 3.81Å; V166-L181 HydrophobicContact CG2-CG 4.42Å |
| 167 | C | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.2 | 177.7 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | C135 V153 D155 G156 T157 R171 | C135-C167 WeakPolarHBondContact CA-SG 3.13Å; C135-C167 HydrophobicContact CB-CB 3.65Å; C135-C167 WeakPolarHBondContact CB-SG 3.36Å; C135-C167 WeakPolarHBondContact SG-CA 3.47Å; C135-C167 WeakPolarHBondContact SG-CB 3.28Å; C135-C167 CovalentContact SG-SG 2.04Å; C135-C167 PolarHBondContact SG-SG 2.73Å; V153-C167 HydrophobicContact CG2-CB 3.29Å; V153-C167 VanDerWaalsContact CG2-SG 3.52Å; D155-C167 CarbonylContact C-O 3.56Å; D155-C167 VanDerWaalsContact CA-O 3.28Å; D155-C167 WeakPolarHBondContact CA-O 3.49Å; G156-C167 PolarHBondContact N-O 2.6Å; T157-C167 WeakPolarHBondContact O-CB 3.47Å; T157-C167 PolarHBondContact O-N 2.02Å; C167-R171 WeakPolarHBondContact CA-O 3.38Å |
| 168 | V | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 127.8 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | V65 Y88 D155 V166 G170 R171 L173 L181 | V65-V168 HydrophobicContact CG1-CG2 4.24Å; V65-V168 HydrophobicContact CG2-CG2 4.13Å; Y88-V168 HydrophobicContact CD1-CG1 3.35Å; Y88-V168 HydrophobicContact CD1-CG2 4.39Å; Y88-V168 HydrophobicContact CD2-CG1 3.89Å; Y88-V168 HydrophobicContact CE1-CG1 3.28Å; Y88-V168 HydrophobicContact CE2-CG1 3.83Å; Y88-V168 HydrophobicContact CG-CG1 3.68Å; D155-V168 WeakPolarHBondContact OD1-CA 3.38Å; V166-V168 HydrophobicContact CG2-CG2 4.36Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-G170 VanDerWaalsContact O-N 3.07Å; V168-R171 PolarHBondContact N-O 2.93Å; V168-R171 PolarHBondContact O-N 3.48Å; V168-L173 HydrophobicContact CB-CD1 3.87Å; V168-L173 HydrophobicContact CB-CG 4.38Å; V168-L173 HydrophobicContact CG1-CD1 4.28Å; V168-L173 HydrophobicContact CG2-CD1 4.46Å; V168-L181 HydrophobicContact CG2-CD1 4.25Å |
| 169 | A | 92.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D155 | D155-A169 PolarHBondContact OD1-N 2.99Š|
| 170 | G | 95.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 11 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N133 C135 V168 | N133-G170 PolarHBondContact ND2-O 3.32Å; N133-G170 PolarHBondContact OD1-O 3Å; C135-G170 WeakPolarHBondContact CB-O 3.43Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-G170 VanDerWaalsContact O-N 3.07Å |
| 171 | R | 96.1 | Very high | 94.4 | Very high | 177 Ų | 177 | 48.6 Ų | 48.6 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.3 | 176.3 | -63.1 | 176.8 | 66.4 | -161.2 | -0.4 | 110.6 | C135 C167 V168 L173 | C135-R171 PolarHBondContact SG-O 2.81Å; C167-R171 WeakPolarHBondContact CA-O 3.38Å; V168-R171 PolarHBondContact N-O 2.93Å; V168-R171 PolarHBondContact O-N 3.48Å; R171-L173 HydrophobicContact CB-CD2 4.03Å; R171-L173 HydrophobicContact CB-CG 4.47Å; R171-L173 PolarHBondContact O-N 2.96Å |
| 172 | C | 96.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 46 Ų | 46 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 110.8 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | C135 C159 | C135-C172 VanDerWaalsContact SG-CA 3.59Å; C135-C172 PolarHBondContact SG-N 2.95Å; C159-C172 HydrophobicContact CB-CB 3.82Å; C159-C172 WeakPolarHBondContact CB-SG 3.42Å; C159-C172 WeakPolarHBondContact SG-CA 3.31Å; C159-C172 WeakPolarHBondContact SG-CB 3.4Å; C159-C172 CovalentContact SG-SG 2.02Å; C159-C172 PolarHBondContact SG-SG 2.9Å |
| 173 | L | 96.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.3 | -179.2 | -55.5 | -173.8 | 0 | 0 | 0 | 110.1 | G165 V166 V168 R171 L181 | G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.48Å; V166-L173 PolarHBondContact N-O 2.97Å; V166-L173 PolarHBondContact O-N 2.94Å; V168-L173 HydrophobicContact CB-CD1 3.87Å; V168-L173 HydrophobicContact CB-CG 4.38Å; V168-L173 HydrophobicContact CG1-CD1 4.28Å; V168-L173 HydrophobicContact CG2-CD1 4.46Å; R171-L173 HydrophobicContact CB-CD2 4.03Å; R171-L173 HydrophobicContact CB-CG 4.47Å; R171-L173 PolarHBondContact O-N 2.96Å; L173-L181 HydrophobicContact CB-CB 4.15Å; L173-L181 HydrophobicContact CB-CD2 4.41Å; L173-L181 HydrophobicContact CD1-CB 4.46Å |
| 174 | S | 95.5 | Very high | 95 | Very high | 67 Ų | 67 | 46 Ų | 46 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | trans | -107.5 | 153.5 | 170.5 | -60 | 0 | 0 | 0 | 0 | 109.6 | G182 | S174-G182 PolarHBondContact O-N 2.91Š| ||
| 175 | A | 95.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -73.2 | 132.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L90 L180 L181 | L90-A175 HydrophobicContact CD1-CB 3.94Å; L90-A175 HydrophobicContact CG-CB 4.47Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; A175-L181 HydrophobicContact CB-CD2 4.31Å |
| 176 | G | 95.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -73.5 | 175 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D178 G179 L180 A185 | G176-D178 PolarHBondContact O-N 3.41Å; G176-D178 VanDerWaalsContact O-N 3.13Å; G176-G179 PolarHBondContact O-N 2.92Å; G176-L180 PolarHBondContact N-O 3.41Å; G176-A185 VanDerWaalsContact CA-O 3.24Å; G176-A185 WeakPolarHBondContact CA-O 3.47Å | ||
| 177 | C | 95.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 52 Ų | 52 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.5 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | G179 A185 L186 E187 C193 | C177-G179 VanDerWaalsContact C-N 3.26Å; C177-A185 PolarHBondContact N-O 2.91Å; C177-A185 PolarHBondContact SG-O 2.02Å; C177-L186 PolarHBondContact SG-N 3.03Å; C177-L186 PolarHBondContact SG-O 3.07Å; C177-E187 HydrophobicContact CB-CG 3.53Å; C177-C193 HydrophobicContact CB-CB 3.57Å; C177-C193 WeakPolarHBondContact CB-SG 3.38Å; C177-C193 WeakPolarHBondContact SG-CA 3.46Å; C177-C193 WeakPolarHBondContact SG-CB 2.95Å; C177-C193 CovalentContact SG-SG 2.02Å; C177-C193 PolarHBondContact SG-SG 3.12Å |
| 178 | D | 94.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.3 | 175 | 60.7 | -6.9 | 0 | 0 | 0 | 112.8 | G176 L180 S183 A185 C193 | G176-D178 PolarHBondContact O-N 3.41Å; G176-D178 VanDerWaalsContact O-N 3.13Å; D178-L180 PolarHBondContact O-N 2.92Å; D178-L180 PolarHBondContact OD1-N 2.89Å; D178-L180 VanDerWaalsContact OD1-N 3.16Å; D178-S183 VanDerWaalsContact CG-OG 3.31Å; D178-S183 PolarHBondContact OD1-OG 3.38Å; D178-S183 WeakPolarHBondContact OD2-CB 3.38Å; D178-S183 PolarHBondContact OD2-OG 2.89Å; D178-A185 HydrophobicContact CB-CB 4.17Å; D178-C193 PolarHBondContact N-SG 2.85Å |
| 179 | G | 93.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 77.6 | 3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | R89 G176 C177 | R89-G179 WeakPolarHBondContact CB-O 3.04Å; G176-G179 PolarHBondContact O-N 2.92Å; C177-G179 VanDerWaalsContact C-N 3.26Å |
| 180 | L | 95.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.199 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 135.8 | 178.6 | -63.2 | -179.2 | 0 | 0 | 0 | 110.7 | W54 Y88 R89 A175 G176 D178 G182 S183 | W54-L180 HydrophobicContact CH2-CD2 3.78Å; W54-L180 HydrophobicContact CZ2-CD2 4.01Å; Y88-L180 WeakPolarHBondContact O-CA 3.29Å; R89-L180 HydrophobicContact CB-CD2 4.49Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; G176-L180 PolarHBondContact N-O 3.41Å; D178-L180 PolarHBondContact O-N 2.92Å; D178-L180 PolarHBondContact OD1-N 2.89Å; D178-L180 VanDerWaalsContact OD1-N 3.16Å; L180-G182 PolarHBondContact O-N 2.94Å; L180-S183 PolarHBondContact O-OG 3.15Å |
| 181 | L | 96.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 123.6 | 177.2 | -75.1 | 167.9 | 0 | 0 | 0 | 109.9 | V65 Y88 L90 V166 V168 L173 A175 S183 | V65-L181 HydrophobicContact CG1-CD1 4.11Å; V65-L181 HydrophobicContact CG2-CD1 3.77Å; Y88-L181 PolarHBondContact O-N 3.35Å; L90-L181 HydrophobicContact CD1-CD2 4.33Å; L90-L181 HydrophobicContact CD2-CD1 4.11Å; L90-L181 HydrophobicContact CD2-CD2 4.03Å; L90-L181 HydrophobicContact CD2-CG 4.47Å; L90-L181 HydrophobicContact CG-CD1 4.28Å; L90-L181 HydrophobicContact CG-CD2 3.82Å; L90-L181 HydrophobicContact CG-CG 4.18Å; V166-L181 HydrophobicContact CG2-CD1 3.67Å; V166-L181 HydrophobicContact CG2-CD2 3.81Å; V166-L181 HydrophobicContact CG2-CG 4.42Å; V168-L181 HydrophobicContact CG2-CD1 4.25Å; L173-L181 HydrophobicContact CB-CB 4.15Å; L173-L181 HydrophobicContact CB-CD2 4.41Å; L173-L181 HydrophobicContact CD1-CB 4.46Å; A175-L181 HydrophobicContact CB-CD2 4.31Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.47Å |
| 182 | G | 95.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 9.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S174 L180 G184 | S174-G182 PolarHBondContact O-N 2.91Å; L180-G182 PolarHBondContact O-N 2.94Å; G182-G184 PolarHBondContact O-N 2.85Å |
| 183 | S | 95.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | trans | -65.7 | -27.8 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | D178 L180 L181 A185 | D178-S183 VanDerWaalsContact CG-OG 3.31Å; D178-S183 PolarHBondContact OD1-OG 3.38Å; D178-S183 WeakPolarHBondContact OD2-CB 3.38Å; D178-S183 PolarHBondContact OD2-OG 2.89Å; L180-S183 PolarHBondContact O-OG 3.15Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.47Å; S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 2.88Å | ||
| 184 | G | 93.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | trans | 67.2 | 10.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G182 L186 | G182-G184 PolarHBondContact O-N 2.85Å; G184-L186 PolarHBondContact O-N 2.79Å | ||
| 185 | A | 95.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | trans | -67.5 | 128.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G176 C177 D178 S183 | G176-A185 VanDerWaalsContact CA-O 3.24Å; G176-A185 WeakPolarHBondContact CA-O 3.47Å; C177-A185 PolarHBondContact N-O 2.91Å; C177-A185 PolarHBondContact SG-O 2.02Å; D178-A185 HydrophobicContact CB-CB 4.17Å; S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 2.88Å | ||
| 186 | L | 95.9 | Very high | 95.5 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | trans | -117.1 | 149 | 179.5 | -61.3 | 177 | 0 | 0 | 0 | 110.5 | C177 G184 G194 | C177-L186 PolarHBondContact SG-N 3.03Å; C177-L186 PolarHBondContact SG-O 3.07Å; G184-L186 PolarHBondContact O-N 2.79Å; L186-G194 PolarHBondContact O-N 2.8Å | ||
| 187 | E | 97 | Very high | 95.5 | Very high | 127 Ų | 127 | 67 Ų | 67 | 59% | 0.593 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -69.4 | 144.2 | 167.8 | -62.8 | -177.2 | 159.5 | 0 | 0 | 109.9 | C177 | C177-E187 HydrophobicContact CB-CG 3.53Å |
| 188 | D | 96.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 70.7 Ų | 70.7 | 10% | 0.096 | 43% | 0.434 | C | S | . | . | trans | -73.2 | 176.8 | 165.3 | 80.9 | -5.4 | 0 | 0 | 0 | 110.3 | C190 G191 R192 G195 A196 N197 | D188-C190 PolarHBondContact O-N 3.19Å; D188-C190 VanDerWaalsContact OD1-C 3.32Å; D188-C190 VanDerWaalsContact OD1-CA 3.25Å; D188-C190 WeakPolarHBondContact OD1-CA 3.24Å; D188-C190 WeakPolarHBondContact OD1-CB 3.31Å; D188-C190 PolarHBondContact OD1-N 3.24Å; D188-G191 PolarHBondContact O-N 2.75Å; D188-G191 PolarHBondContact OD1-N 3.32Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å; D188-R192 PolarHBondContact N-O 2.85Å; D188-R192 PolarHBondContact OD1-N 2.71Å; D188-G195 WeakPolarHBondContact CB-O 3.44Å; D188-G195 VanDerWaalsContact OD2-C 3.26Å; D188-G195 VanDerWaalsContact OD2-CA 3.26Å; D188-G195 WeakPolarHBondContact OD2-CA 3.24Å; D188-A196 PolarHBondContact OD2-N 2.85Å; D188-N197 WeakPolarHBondContact CB-OD1 3.4Å; D188-N197 WeakPolarHBondContact OD2-CA 3.47Å; D188-N197 PolarHBondContact OD2-N 3.42Å | ||
| 189 | R | 95.8 | Very high | 95.5 | Very high | 221 Ų | 221 | 70 Ų | 70 | 83% | 0.834 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.2 | 179.7 | -64.3 | 180 | -178.2 | -167 | 1.1 | 113.7 | N197 | R189-N197 WeakPolarHBondContact CB-OD1 3.46Å; R189-N197 WeakPolarHBondContact CG-OD1 3.46Å; R189-N197 PolarHBondContact N-OD1 3.25Å |
| 190 | C | 95.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 71 Ų | 71 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 1.4 | 177 | -56 | 0 | 0 | 0 | 0 | 112.6 | D188 R192 S199 C200 | D188-C190 PolarHBondContact O-N 3.19Å; D188-C190 VanDerWaalsContact OD1-C 3.32Å; D188-C190 VanDerWaalsContact OD1-CA 3.25Å; D188-C190 WeakPolarHBondContact OD1-CA 3.24Å; D188-C190 WeakPolarHBondContact OD1-CB 3.31Å; D188-C190 PolarHBondContact OD1-N 3.24Å; C190-R192 VanDerWaalsContact C-N 3.29Å; C190-S199 WeakPolarHBondContact CB-OG 3.23Å; C190-C200 WeakPolarHBondContact CA-SG 3.27Å; C190-C200 HydrophobicContact CB-CB 3.54Å; C190-C200 WeakPolarHBondContact CB-SG 3.37Å; C190-C200 VanDerWaalsContact SG-CA 3.59Å; C190-C200 WeakPolarHBondContact SG-CB 3.37Å; C190-C200 PolarHBondContact SG-N 3.3Å; C190-C200 CovalentContact SG-SG 2.03Å; C190-C200 PolarHBondContact SG-SG 3.2Å |
| 191 | G | 94.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 76.7 Ų | 76.7 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 76.7 | 14.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D188 | D188-G191 PolarHBondContact O-N 2.75Å; D188-G191 PolarHBondContact OD1-N 3.32Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å |
| 192 | R | 96.6 | Very high | 95.2 | Very high | 146 Ų | 146 | 84.5 Ų | 84.5 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | trans | -94.1 | 122.8 | 175.6 | -180 | 176.8 | -87.2 | 178.9 | -6.2 | 109.4 | D188 C190 G194 G195 | D188-R192 PolarHBondContact N-O 2.85Å; D188-R192 PolarHBondContact OD1-N 2.71Å; C190-R192 VanDerWaalsContact C-N 3.29Å; R192-G194 PolarHBondContact O-N 2.95Å; R192-G195 PolarHBondContact O-N 3.45Å | ||
| 193 | C | 97.2 | Very high | 95 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 35% | 0.345 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 124.1 | 175.8 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | C177 D178 G195 | C177-C193 HydrophobicContact CB-CB 3.57Å; C177-C193 WeakPolarHBondContact CB-SG 3.38Å; C177-C193 WeakPolarHBondContact SG-CA 3.46Å; C177-C193 WeakPolarHBondContact SG-CB 2.95Å; C177-C193 CovalentContact SG-SG 2.02Å; C177-C193 PolarHBondContact SG-SG 3.12Å; D178-C193 PolarHBondContact N-SG 2.85Å; C193-G195 PolarHBondContact O-N 3.46Å |
| 194 | G | 95.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 92.2 Ų | 92.2 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L186 R192 | L186-G194 PolarHBondContact O-N 2.8Å; R192-G194 PolarHBondContact O-N 2.95Å |
| 195 | G | 95.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 98.4 Ų | 98.4 | 23% | 0.227 | 53% | 0.528 | C | S | . | . | trans | -74.1 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D188 R192 C193 | D188-G195 WeakPolarHBondContact CB-O 3.44Å; D188-G195 VanDerWaalsContact OD2-C 3.26Å; D188-G195 VanDerWaalsContact OD2-CA 3.26Å; D188-G195 WeakPolarHBondContact OD2-CA 3.24Å; R192-G195 PolarHBondContact O-N 3.45Å; C193-G195 PolarHBondContact O-N 3.46Å | ||
| 196 | A | 95.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 103.3 Ų | 103.3 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | trans | -98.2 | 9.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D188 D198 | D188-A196 PolarHBondContact OD2-N 2.85Å; A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.02Å | ||
| 197 | N | 94.7 | Very high | 93.5 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 63.3 | 25.6 | -172.8 | -50 | -73.1 | 0 | 0 | 0 | 114.8 | D188 R189 | D188-N197 WeakPolarHBondContact CB-OD1 3.4Å; D188-N197 WeakPolarHBondContact OD2-CA 3.47Å; D188-N197 PolarHBondContact OD2-N 3.42Å; R189-N197 WeakPolarHBondContact CB-OD1 3.46Å; R189-N197 WeakPolarHBondContact CG-OD1 3.46Å; R189-N197 PolarHBondContact N-OD1 3.25Å |
| 198 | D | 95.4 | Very high | 92.6 | Very high | 120 Ų | 120 | 110 Ų | 110 | 64% | 0.642 | 57% | 0.571 | S | S | * | * | trans | -110.1 | -6.9 | -176.2 | 63.2 | -13.3 | 0 | 0 | 0 | 113.5 | A196 C200 | A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.02Å; D198-C200 VanDerWaalsContact C-N 3.34Å | ||
| 199 | S | 95.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 117 Ų | 117 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -86.2 | -3.4 | -178.1 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | C190 | C190-S199 WeakPolarHBondContact CB-OG 3.23Š|
| 200 | C | 95.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 114.9 Ų | 114.9 | 39% | 0.385 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -144.6 | 162.3 | -179.7 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | C190 D198 | C190-C200 WeakPolarHBondContact CA-SG 3.27Å; C190-C200 HydrophobicContact CB-CB 3.54Å; C190-C200 WeakPolarHBondContact CB-SG 3.37Å; C190-C200 VanDerWaalsContact SG-CA 3.59Å; C190-C200 WeakPolarHBondContact SG-CB 3.37Å; C190-C200 PolarHBondContact SG-N 3.3Å; C190-C200 CovalentContact SG-SG 2.03Å; C190-C200 PolarHBondContact SG-SG 3.2Å; D198-C200 VanDerWaalsContact C-N 3.34Å |
| 201 | L | 93.4 | Very high | 90.1 | Very high | 159 Ų | 159 | 119 Ų | 119 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -106.8 | 134.2 | 175.9 | -62.8 | 172 | 0 | 0 | 0 | 109.9 | V203 | L201-V203 PolarHBondContact O-N 3.43Š| ||
| 202 | F | 90.8 | Very high | 89.8 | Confident | 174 Ų | 174 | 123.1 Ų | 123.1 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | trans | -75.2 | 119.8 | 171.1 | -179.3 | -101.3 | 0 | 0 | 0 | 110 | Q204 | F202-Q204 HydrophobicContact CE1-CB 3.86Å; F202-Q204 HydrophobicContact CZ-CB 4.28Å | ||
| 203 | V | 90.9 | Very high | 89.4 | Confident | 102 Ų | 102 | 121.8 Ų | 121.8 | 62% | 0.618 | 68% | 0.677 | S | S | * | * | trans | -117.3 | 117.6 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L201 R205 | L201-V203 PolarHBondContact O-N 3.43Å; V203-R205 HydrophobicContact CG1-CG 4.22Å | ||
| 204 | Q | 90.6 | Very high | 89 | Confident | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | -109 | 129.9 | 172 | -170.9 | 174.6 | 8.4 | 0 | 0 | 109.3 | F202 | F202-Q204 HydrophobicContact CE1-CB 3.86Å; F202-Q204 HydrophobicContact CZ-CB 4.28Å | ||
| 205 | R | 87.9 | Confident | 88.6 | Confident | 192 Ų | 192 | 129.5 Ų | 129.5 | 73% | 0.725 | 70% | 0.696 | S | S | * | * | trans | -121.9 | 141.9 | 173.9 | -59.8 | -168.4 | -165.7 | -162.1 | 5.3 | 109.8 | V203 F207 | V203-R205 HydrophobicContact CG1-CG 4.22Å; R205-F207 HydrophobicContact CB-CE2 4.06Å; R205-F207 HydrophobicContact CB-CZ 4.45Å | ||
| 206 | V | 86 | Confident | 88.2 | Confident | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -105.3 | 123.1 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 207 | F | 84 | Confident | 87.6 | Confident | 171 Ų | 171 | 141.2 Ų | 141.2 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | trans | -98.1 | 135.2 | 172.8 | -66.4 | -88.8 | 0 | 0 | 0 | 108.6 | R205 | R205-F207 HydrophobicContact CB-CE2 4.06Å; R205-F207 HydrophobicContact CB-CZ 4.45Å | ||
| 208 | R | 77.8 | Confident | 87.1 | Confident | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -109.1 | 123 | 167.1 | -77.1 | -174.9 | 178.5 | -176.6 | -0.5 | 107.3 | ||||
| 209 | D | 75.3 | Confident | 86.4 | Confident | 165 Ų | 165 | 147.8 Ų | 147.8 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 140.3 | 171.9 | -62.5 | -37.1 | 0 | 0 | 0 | 109.4 | ||||
| 210 | A | 68.8 | Low | 85.5 | Confident | 176 Ų | 176 | 155.9 Ų | 155.9 | 100% | 1.455 | 80% | 0.8 | S | S | * | * | trans | -85.2 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 210 of 210 residues in 688.8 ms
(Link to these results)