| 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 | 28.7 | Very low | 31.6 | Very low | 173 Ų | 173 | 167.5 Ų | 167.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | 0 | 115.2 | 0 | -85.8 | -175.7 | 172.6 | 0 | 0 | 108.8 | Y288 | M1-Y288 WeakPolarHBondContact CE-OH 3.42Š| |||
| 2 | I | 32.3 | Very low | 31.5 | Very low | 96 Ų | 96 | 166.8 Ų | 166.8 | 49% | 0.492 | 79% | 0.788 | S | S | . | * | trans | -103.3 | 106.7 | 165.8 | -60.7 | 173.4 | 0 | 0 | 0 | 105 | K214 | I2-K214 HydrophobicContact CD1-CB 4.46Å; I2-K214 HydrophobicContact CD1-CD 4.31Å; I2-K214 HydrophobicContact CD1-CG 4.35Å | ||
| 3 | R | 37.3 | Very low | 31.4 | Very low | 201 Ų | 201 | 165.5 Ų | 165.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -99.1 | 111.6 | 173.7 | -87.3 | -174 | 168.8 | -164.1 | -1.1 | 107.8 | ||||
| 4 | G | 32.8 | Very low | 31.3 | Very low | 74 Ų | 74 | 161.1 Ų | 161.1 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 134.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | A | 34.7 | Very low | 31.3 | Very low | 86 Ų | 86 | 158.5 Ų | 158.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -65.6 | 157.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 6 | W | 34.9 | Very low | 31.3 | Very low | 246 Ų | 246 | 158.6 Ų | 158.6 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | 99.6 | 80.5 | -178.5 | -59.1 | 92 | 0 | 0 | 0 | 115.9 | ||||
| 7 | M | 27.8 | Very low | 31.2 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -111 | 118.6 | 157.2 | -81.6 | -92 | -90.1 | 0 | 0 | 108.1 | ||||
| 8 | F | 29.3 | Very low | 31.2 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -115.1 | 124.3 | 158.9 | -133 | -85.1 | 0 | 0 | 0 | 108.4 | ||||
| 9 | R | 28.7 | Very low | 31.1 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 135.2 | -175.1 | -170.4 | -177.7 | -177.7 | 133.4 | -0.2 | 109.7 | E11 | R9-E11 IonicContact NE-OE1 3.9Å; R9-E11 IonicContact NH2-OE1 3.89Å | ||
| 10 | R | 31.3 | Very low | 31.1 | Very low | 244 Ų | 244 | 154.4 Ų | 154.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -142.9 | 111.7 | 163.3 | -142.7 | 176.6 | -146.9 | 143.7 | 5.7 | 110.1 | ||||
| 11 | E | 29.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | trans | -52.2 | 141.3 | 157.9 | -94.5 | 89.3 | -168 | 0 | 0 | 110.4 | R9 | R9-E11 IonicContact NE-OE1 3.9Å; R9-E11 IonicContact NH2-OE1 3.89Å | ||
| 12 | D | 30.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | -175.5 | 145.5 | 120.4 | -86.6 | -27.2 | 0 | 0 | 0 | 112.4 | |||||
| 13 | D | 29.8 | Very low | 31.3 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 150.8 | -171 | -68.7 | -55 | 0 | 0 | 0 | 115.9 | ||||
| 14 | A | 30.8 | Very low | 31 | Very low | 104 Ų | 104 | 154 Ų | 154 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -168.4 | 96.2 | 132.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 15 | V | 31 | Very low | 30.9 | Very low | 123 Ų | 123 | 157 Ų | 157 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -74 | 119.4 | 165.7 | 170.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | L | 31.7 | Very low | 30.7 | Very low | 159 Ų | 159 | 160.5 Ų | 160.5 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -113.8 | 96.3 | 161.2 | -146.8 | 85.8 | 0 | 0 | 0 | 110.3 | ||||
| 17 | K | 28.9 | Very low | 30.6 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | trans | -68.9 | 128.8 | 165.1 | -100.9 | 174.3 | 172.4 | 170.8 | 0 | 109.4 | ||||
| 18 | I | 31.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -120.3 | 105.3 | 154.6 | -62.3 | 174.1 | 0 | 0 | 0 | 107.2 | ||||
| 19 | C | 29.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 129.3 | 168.8 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | C | 30.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -140.8 | 108.8 | 151.1 | -82.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | A | 30.7 | Very low | 32.8 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -90.8 | 158.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 22 | P | 36.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -94.7 | 162.6 | -157.4 | 36.9 | -33.5 | 0 | 0 | 0 | 114.1 | ||||
| 23 | K | 30 | Very low | 34.4 | Very low | 217 Ų | 217 | 139.8 Ų | 139.8 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -121.7 | 138.1 | 161.1 | -90.6 | -176.2 | 176.2 | 176.6 | 0 | 111.1 | ||||
| 24 | Q | 31 | Very low | 35.2 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -92.4 | 161.7 | -171.1 | -117.1 | 178.8 | -3.5 | 0 | 0 | 113.3 | ||||
| 25 | N | 29 | Very low | 36.1 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 82.6 | 124.7 | 163.9 | -68.1 | -19.1 | 0 | 0 | 0 | 116.3 | ||||
| 26 | D | 30.6 | Very low | 36.8 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | cis | -136.6 | 171.2 | 44.5 | -78.4 | -45.7 | 0 | 0 | 0 | 117.1 | ||||
| 27 | K | 33.9 | Very low | 37.4 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -84.8 | 179.5 | -166.2 | -114 | 176.7 | -172.5 | 172.2 | 0 | 114.9 | ||||
| 28 | P | 41.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -97.1 | 148.7 | -120.3 | 39.8 | -32.9 | 0 | 0 | 0 | 115 | |||||
| 29 | C | 32.2 | Very low | 39.1 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | trans | -119.7 | 82.1 | 156.7 | -75.4 | 0 | 0 | 0 | 0 | 108.3 | D31 | C29-D31 PolarHBondContact O-N 3.25Š| ||
| 30 | A | 47.4 | Very low | 39.8 | Very low | 87 Ų | 87 | 151 Ų | 151 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 97.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 31 | D | 41.4 | Very low | 41.2 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -179.4 | 46.6 | 150.1 | -96.1 | -21.4 | 0 | 0 | 0 | 114.4 | C29 | C29-D31 PolarHBondContact O-N 3.25Š| ||
| 32 | S | 44.7 | Very low | 42.5 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -123.7 | -6.8 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 33 | E | 49.9 | Very low | 43.6 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -96.8 | -10.2 | -170.1 | -135.2 | -172.4 | 165.1 | 0 | 0 | 114.6 | ||
| 34 | R | 45.3 | Very low | 45.3 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -10.8 | -176.4 | -64.3 | -171.5 | -156.8 | -164 | 7.4 | 114.8 | ||
| 35 | V | 50.2 | Low | 46.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -11.5 | -176.2 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 36 | Q | 47.1 | Very low | 48.9 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -19.9 | 174.1 | -91.7 | -178.5 | -59.9 | 0 | 0 | 115 | W38 R39 | Q36-W38 VanDerWaalsContact C-N 3.28Å; Q36-W38 PolarHBondContact O-N 3.3Å; Q36-R39 PolarHBondContact O-N 2.78Å |
| 37 | K | 44.3 | Very low | 50.7 | Low | 170 Ų | 170 | 130.9 Ų | 130.9 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -22.4 | 179.7 | -120.1 | 171.9 | -178.7 | 170.6 | 0 | 114.1 | ||
| 38 | W | 43 | Very low | 52.1 | Low | 202 Ų | 202 | 127.6 Ų | 127.6 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -20.9 | -179.1 | -70.4 | 95.6 | 0 | 0 | 0 | 114.2 | Q36 | Q36-W38 VanDerWaalsContact C-N 3.28Å; Q36-W38 PolarHBondContact O-N 3.3Å |
| 39 | R | 52.3 | Low | 53.5 | Low | 201 Ų | 201 | 125.7 Ų | 125.7 | 76% | 0.758 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.4 | -25.3 | -177 | -74.3 | -172.2 | 166.7 | -148.8 | -2.4 | 113.9 | Q36 | Q36-R39 PolarHBondContact O-N 2.78Å |
| 40 | M | 44.4 | Very low | 55.3 | Low | 152 Ų | 152 | 123.3 Ų | 123.3 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -84.9 | -20.8 | 176.4 | -63.8 | -59.4 | -74 | 0 | 0 | 113.6 | S44 | M40-S44 PolarHBondContact O-N 3.09Å; M40-S44 PolarHBondContact O-OG 3.14Å |
| 41 | S | 59.2 | Low | 55.9 | Low | 63 Ų | 63 | 122.7 Ų | 122.7 | 44% | 0.441 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -80.4 | -35.1 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | S44 L45 | S41-S44 PolarHBondContact O-OG 3.28Å; S41-L45 WeakPolarHBondContact O-CB 3.34Å; S41-L45 PolarHBondContact O-N 3.38Å; S41-L45 VanDerWaalsContact O-N 3.11Å |
| 42 | L | 58.5 | Low | 56.8 | Low | 114 Ų | 114 | 121.3 Ų | 121.3 | 60% | 0.597 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -36.5 | 179.3 | -168 | 137.5 | 0 | 0 | 0 | 112.2 | L45 L46 | L42-L45 PolarHBondContact O-N 3.26Å; L42-L46 HydrophobicContact CD2-CD1 3.73Å; L42-L46 HydrophobicContact CD2-CG 4.34Å; L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.35Å |
| 43 | A | 60.2 | Low | 57.3 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L46 F47 | A43-L46 PolarHBondContact O-N 2.97Å; A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 3.5Å |
| 44 | S | 65.8 | Low | 57.3 | Low | 53 Ų | 53 | 116.7 Ų | 116.7 | 37% | 0.371 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.4 | -38.7 | 175.1 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | M40 S41 F47 F48 | M40-S44 PolarHBondContact O-N 3.09Å; M40-S44 PolarHBondContact O-OG 3.14Å; S41-S44 PolarHBondContact O-OG 3.28Å; S44-F47 PolarHBondContact O-N 2.82Å; S44-F48 WeakPolarHBondContact O-CD2 3.2Å; S44-F48 PolarHBondContact O-N 3.36Å |
| 45 | L | 65 | Low | 57.6 | Low | 95 Ų | 95 | 113.7 Ų | 113.7 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -39.4 | 177.3 | -155.6 | 121.4 | 0 | 0 | 0 | 112.4 | S41 L42 T49 | S41-L45 WeakPolarHBondContact O-CB 3.34Å; S41-L45 PolarHBondContact O-N 3.38Å; S41-L45 VanDerWaalsContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 3.26Å; L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 VanDerWaalsContact O-CG2 3.26Å; L45-T49 WeakPolarHBondContact O-CG2 3.38Å; L45-T49 PolarHBondContact O-N 3.41Å; L45-T49 PolarHBondContact O-OG1 3.29Å |
| 46 | L | 70 | Confident | 57.6 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -38 | 172.5 | -71.1 | 176.4 | 0 | 0 | 0 | 112.1 | L42 A43 T49 V50 | L42-L46 HydrophobicContact CD2-CD1 3.73Å; L42-L46 HydrophobicContact CD2-CG 4.34Å; L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.35Å; A43-L46 PolarHBondContact O-N 2.97Å; L46-T49 VanDerWaalsContact CA-OG1 3.31Å; L46-T49 WeakPolarHBondContact CA-OG1 3.2Å; L46-T49 PolarHBondContact O-N 2.94Å; L46-T49 PolarHBondContact O-OG1 3.04Å; L46-V50 WeakPolarHBondContact O-CG2 3.14Å; L46-V50 PolarHBondContact O-N 3.38Å; L46-V50 VanDerWaalsContact O-N 3.12Å |
| 47 | F | 69.5 | Low | 57.5 | Low | 137 Ų | 137 | 117.7 Ų | 117.7 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 176.7 | -165.9 | -102.3 | 0 | 0 | 0 | 112.4 | A43 S44 V50 L51 | A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 3.5Å; S44-F47 PolarHBondContact O-N 2.82Å; F47-V50 PolarHBondContact O-N 3.42Å; F47-L51 HydrophobicContact CD1-CD1 3.67Å; F47-L51 HydrophobicContact CD1-CG 4.42Å; F47-L51 HydrophobicContact CE1-CD1 3.38Å; F47-L51 HydrophobicContact CE1-CG 4.2Å; F47-L51 HydrophobicContact CZ-CD1 4.14Å; F47-L51 PolarHBondContact O-N 2.99Å |
| 48 | F | 61.8 | Low | 57.5 | Low | 131 Ų | 131 | 116.5 Ų | 116.5 | 58% | 0.575 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 176.4 | -86.1 | -71.2 | 0 | 0 | 0 | 112.5 | S44 L51 L52 | S44-F48 WeakPolarHBondContact O-CD2 3.2Å; S44-F48 PolarHBondContact O-N 3.36Å; F48-L51 PolarHBondContact O-N 3.32Å; F48-L52 WeakPolarHBondContact O-CB 3.16Å; F48-L52 WeakPolarHBondContact O-CD1 3.23Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 2.88Å; F48-L52 PolarHBondContact O-N 3.33Å |
| 49 | T | 71.7 | Confident | 57.5 | Low | 68 Ų | 68 | 112.6 Ų | 112.6 | 42% | 0.417 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | L45 L46 S53 | L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 VanDerWaalsContact O-CG2 3.26Å; L45-T49 WeakPolarHBondContact O-CG2 3.38Å; L45-T49 PolarHBondContact O-N 3.41Å; L45-T49 PolarHBondContact O-OG1 3.29Å; L46-T49 VanDerWaalsContact CA-OG1 3.31Å; L46-T49 WeakPolarHBondContact CA-OG1 3.2Å; L46-T49 PolarHBondContact O-N 2.94Å; L46-T49 PolarHBondContact O-OG1 3.04Å; T49-S53 WeakPolarHBondContact O-CB 3.35Å; T49-S53 PolarHBondContact O-N 2.92Å |
| 50 | V | 68.9 | Low | 57.1 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66 | -45.2 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L46 F47 L52 S53 N54 | L46-V50 WeakPolarHBondContact O-CG2 3.14Å; L46-V50 PolarHBondContact O-N 3.38Å; L46-V50 VanDerWaalsContact O-N 3.12Å; F47-V50 PolarHBondContact O-N 3.42Å; V50-L52 PolarHBondContact O-N 3.4Å; V50-S53 PolarHBondContact O-N 2.63Å; V50-S53 PolarHBondContact O-OG 3.49Å; V50-N54 PolarHBondContact O-N 2.94Å |
| 51 | L | 61.6 | Low | 57.1 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 38% | 0.382 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -42.6 | 177 | -79.2 | 174.6 | 0 | 0 | 0 | 112.7 | F47 F48 S53 N54 H55 | F47-L51 HydrophobicContact CD1-CD1 3.67Å; F47-L51 HydrophobicContact CD1-CG 4.42Å; F47-L51 HydrophobicContact CE1-CD1 3.38Å; F47-L51 HydrophobicContact CE1-CG 4.2Å; F47-L51 HydrophobicContact CZ-CD1 4.14Å; F47-L51 PolarHBondContact O-N 2.99Å; F48-L51 PolarHBondContact O-N 3.32Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.39Å; L51-N54 PolarHBondContact O-N 3.24Å; L51-H55 PolarHBondContact O-CD2 3.28Å; L51-H55 PolarHBondContact O-N 3.1Å |
| 52 | L | 60.3 | Low | 55.9 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -33.1 | 177.5 | -77.2 | 159.1 | 0 | 0 | 0 | 112.3 | F48 V50 L56 | F48-L52 WeakPolarHBondContact O-CB 3.16Å; F48-L52 WeakPolarHBondContact O-CD1 3.23Å; F48-L52 VanDerWaalsContact O-CG 3.31Å; F48-L52 WeakPolarHBondContact O-CG 2.88Å; F48-L52 PolarHBondContact O-N 3.33Å; V50-L52 PolarHBondContact O-N 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.38Å |
| 53 | S | 53.8 | Low | 54.8 | Low | 62 Ų | 62 | 111 Ų | 111 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.5 | -35.9 | 177.8 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | T49 V50 L51 | T49-S53 WeakPolarHBondContact O-CB 3.35Å; T49-S53 PolarHBondContact O-N 2.92Å; V50-S53 PolarHBondContact O-N 2.63Å; V50-S53 PolarHBondContact O-OG 3.49Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.39Å |
| 54 | N | 51.3 | Low | 53.3 | Low | 103 Ų | 103 | 115 Ų | 115 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73 | -30 | 179 | -85.4 | -17.1 | 0 | 0 | 0 | 113.2 | V50 L51 | V50-N54 PolarHBondContact O-N 2.94Å; L51-N54 PolarHBondContact O-N 3.24Å |
| 55 | H | 50.5 | Low | 51.7 | Low | 133 Ų | 133 | 123.1 Ų | 123.1 | 62% | 0.616 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.4 | -14.4 | 178.2 | -81.2 | -70.4 | 0 | 0 | 0 | 114.4 | L51 | L51-H55 PolarHBondContact O-CD2 3.28Å; L51-H55 PolarHBondContact O-N 3.1Å |
| 56 | L | 49.5 | Very low | 50 | Low | 137 Ų | 137 | 124 Ų | 124 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.2 | -22.2 | 175.2 | -83.7 | 156.1 | 0 | 0 | 0 | 113 | L52 | L52-L56 WeakPolarHBondContact O-CD1 3.38Å |
| 57 | W | 46 | Very low | 48.1 | Very low | 220 Ų | 220 | 127.3 Ų | 127.3 | 83% | 0.833 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.5 | -25.8 | -178.9 | -147.8 | -44.3 | 0 | 0 | 0 | 112.9 | C59 | W57-C59 VanDerWaalsContact C-N 3.3Å; W57-C59 PolarHBondContact O-N 2.65Å |
| 58 | L | 44.9 | Very low | 46.2 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -4.8 | -176.5 | -79.4 | 158.5 | 0 | 0 | 0 | 115 | ||
| 59 | C | 42.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 130 Ų | 130 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 2.5 | -178.2 | -72.1 | 0 | 0 | 0 | 0 | 115.1 | W57 | W57-C59 VanDerWaalsContact C-N 3.3Å; W57-C59 PolarHBondContact O-N 2.65Å |
| 60 | A | 44.2 | Very low | 42.6 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -100.1 | 10.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 61 | G | 44.3 | Very low | 40.6 | Very low | 62 Ų | 62 | 134 Ų | 134 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -121.2 | 33.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 62 | V | 32.4 | Very low | 39.1 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | -147.8 | 107.7 | 159.5 | -165.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 63 | K | 36.2 | Very low | 37.6 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -124.4 | 128.1 | 165.7 | -179.3 | 173.3 | -175.7 | 171.4 | 0 | 107.8 | ||||
| 64 | L | 29.2 | Very low | 36.4 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 145.6 | 113.5 | 150 | -81.1 | 159.9 | 0 | 0 | 0 | 108.3 | ||||
| 65 | R | 32.6 | Very low | 35.2 | Very low | 223 Ų | 223 | 156.7 Ų | 156.7 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | 108.4 | 117.4 | 63.7 | -134.1 | -163.2 | -160.1 | -123.5 | 5.8 | 109.4 | |||||
| 66 | S | 28 | Very low | 34.1 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 171.7 | 114.3 | 143.3 | -154.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 67 | K | 31.4 | Very low | 33 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 51 | 119.9 | 57.7 | -164 | 152.7 | -179 | 166.7 | 0 | 110.2 | |||||
| 68 | D | 28.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | cis | -167.3 | 164 | 27.7 | -160.1 | 2.7 | 0 | 0 | 0 | 111.2 | ||||
| 69 | R | 30.6 | Very low | 31.4 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 42.1 | 120.9 | 142.9 | -94.1 | 167.7 | 151 | 171.5 | -5.4 | 122.1 | ||||
| 70 | S | 26.4 | Very low | 30.6 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | 91.6 | 114.2 | 78.8 | 178.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 71 | N | 27.9 | Very low | 29.8 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | 173.3 | 131.6 | 100.2 | -114.7 | -17.8 | 0 | 0 | 0 | 111.9 | |||||
| 72 | R | 29.8 | Very low | 28.9 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 134.1 | 157.8 | -82.9 | -178.9 | -113.3 | -154.7 | -5.2 | 108.1 | ||||
| 73 | K | 29.2 | Very low | 28.7 | Very low | 204 Ų | 204 | 154.9 Ų | 154.9 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -146.9 | 131.2 | 148.5 | -99 | -175.7 | -175.7 | -179.8 | 0 | 110.7 | ||||
| 74 | I | 29.1 | Very low | 28.5 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 144.1 | 174.7 | -71 | 153.5 | 0 | 0 | 0 | 109 | ||||
| 75 | W | 24.6 | Very low | 28.4 | Very low | 242 Ų | 242 | 148.9 Ų | 148.9 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -151.9 | 142 | 143.8 | -162.9 | -74.4 | 0 | 0 | 0 | 110.6 | ||||
| 76 | I | 27.4 | Very low | 28.3 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 59% | 0.585 | 78% | 0.776 | S | S | * | * | trans | -114.4 | 147.2 | -172.7 | -81.1 | 179.1 | 0 | 0 | 0 | 109.8 | ||||
| 77 | N | 27.6 | Very low | 28.2 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 147.4 | 162.8 | -65.6 | -9.9 | 0 | 0 | 0 | 117.3 | ||||
| 78 | A | 27.2 | Very low | 28.2 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | cis | -161.8 | 165.5 | 20.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 79 | T | 29.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | 72.5 | 111.8 | 142.3 | 41.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 80 | D | 26.9 | Very low | 28.1 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | 83.7 | 125.2 | 111.7 | -141.4 | 6.1 | 0 | 0 | 0 | 119.8 | |||||
| 81 | G | 26.2 | Very low | 28.2 | Very low | 61 Ų | 61 | 150.6 Ų | 150.6 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | trans | 144.1 | 80.9 | 168 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 82 | V | 26.4 | Very low | 28.2 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | 62.6 | 112.7 | 137.6 | -172 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | H | 27.3 | Very low | 28.4 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 155.2 | 161.6 | -85.3 | -72.8 | 0 | 0 | 0 | 112.3 | ||||
| 84 | P | 32.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -138.4 | 135.4 | 87.9 | 29.2 | -10.1 | 0 | 0 | 0 | 115.9 | |||||
| 85 | A | 27.3 | Very low | 28.3 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 17.5 | 112.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 86 | L | 29.5 | Very low | 28.5 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -143.3 | 104 | 142.7 | -117.8 | 142.8 | 0 | 0 | 0 | 106.9 | E88 | L86-E88 PolarHBondContact O-N 3.12Š| ||
| 87 | N | 26.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -91.7 | 92.4 | -170.4 | -148.7 | 13.2 | 0 | 0 | 0 | 108.4 | ||||
| 88 | E | 32.5 | Very low | 28.5 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 93.2 | 168.2 | -159.2 | 179.1 | -168.8 | 0 | 0 | 107.5 | L86 K90 | L86-E88 PolarHBondContact O-N 3.12Å; E88-K90 PolarHBondContact O-N 3.11Å; E88-K90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | G | 27.4 | Very low | 28.5 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -77.4 | 91.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 90 | K | 28.1 | Very low | 28.8 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -69.4 | 118.4 | 164.5 | -120.2 | 162.5 | -179 | 161.3 | 0 | 109.9 | E88 G92 | E88-K90 PolarHBondContact O-N 3.11Å; E88-K90 VanDerWaalsContact O-N 3.11Å; K90-G92 PolarHBondContact O-N 3.04Å | ||
| 91 | C | 28.5 | Very low | 28.9 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 92% | 0.919 | 82% | 0.817 | S | S | * | * | trans | -79.7 | 106.6 | 170.2 | -163.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | G | 29.1 | Very low | 29.4 | Very low | 62 Ų | 62 | 144.3 Ų | 144.3 | 64% | 0.639 | 83% | 0.829 | S | S | * | * | trans | -97.6 | 130.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K90 | K90-G92 PolarHBondContact O-N 3.04Š| ||
| 93 | I | 32.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | -64.4 | 128.3 | 174.1 | -61.4 | 166.2 | 0 | 0 | 0 | 110 | ||||
| 94 | F | 26.2 | Very low | 29.9 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -137.3 | 119.2 | 158 | -94 | -80.9 | 0 | 0 | 0 | 112.1 | ||||
| 95 | L | 30.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -84.9 | 124 | 161.9 | -85.4 | 156 | 0 | 0 | 0 | 109.3 | ||||
| 96 | S | 27.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | 145.9 | 123.3 | 111.6 | 61.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 97 | N | 26.3 | Very low | 30.2 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | 72.3 | 123.1 | 133 | -77.3 | -11.6 | 0 | 0 | 0 | 125.6 | ||||
| 98 | L | 30.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 79.2 | 100 | 141 | -77.5 | 154.5 | 0 | 0 | 0 | 119.7 | ||||
| 99 | T | 27.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 175.1 | 129 | 99 | 27.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 100 | K | 34.1 | Very low | 31.1 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | 25.9 | 98 | 144.7 | -167.2 | 177.2 | -174 | 177.3 | 0 | 118.6 | ||||
| 101 | S | 29 | Very low | 31.7 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 171.2 | 146.3 | 127 | 52.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 102 | A | 37.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -58 | 133.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 103 | A | 30.4 | Very low | 33.1 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -163.7 | 147.3 | 147 | 0 | 0 | 0 | 0 | 0 | 109.3 | G105 | A103-G105 PolarHBondContact O-N 3.15Š| ||
| 104 | P | 32.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.4 | 175.4 | -14.9 | 28.8 | 0 | 0 | 0 | 110.3 | ||
| 105 | G | 28.8 | Very low | 35 | Very low | 61 Ų | 61 | 121.4 Ų | 121.4 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A103 H107 | A103-G105 PolarHBondContact O-N 3.15Å; G105-H107 PolarHBondContact O-N 3.11Å |
| 106 | P | 35.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.8 | 178.7 | 26.9 | -30.8 | 0 | 0 | 0 | 109.7 | C108 | P106-C108 PolarHBondContact O-N 2.92Š|
| 107 | H | 31.9 | Very low | 38.7 | Very low | 175 Ų | 175 | 117.2 Ų | 117.2 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.2 | 168.1 | -116.5 | -79.6 | 0 | 0 | 0 | 109.1 | G105 T109 | G105-H107 PolarHBondContact O-N 3.11Å; H107-T109 PolarHBondContact O-N 3.16Å |
| 108 | C | 31.8 | Very low | 41.6 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.9 | 168.1 | -62.9 | 0 | 0 | 0 | 0 | 107.8 | P106 | P106-C108 PolarHBondContact O-N 2.92Š|
| 109 | T | 36.8 | Very low | 44.1 | Very low | 95 Ų | 95 | 109 Ų | 109 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | trans | -101.3 | 28.4 | -174.1 | 35 | 0 | 0 | 0 | 0 | 112.4 | H107 | H107-T109 PolarHBondContact O-N 3.16Š| ||
| 110 | D | 38.1 | Very low | 47 | Very low | 126 Ų | 126 | 104.7 Ų | 104.7 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -88.2 | -21.4 | -179.6 | -70.2 | -34 | 0 | 0 | 0 | 113.5 | Q112 S113 | D110-Q112 VanDerWaalsContact C-N 3.27Å; D110-Q112 PolarHBondContact O-N 3.4Å; D110-S113 PolarHBondContact O-OG 2.93Å; D110-S113 VanDerWaalsContact O-OG 3.08Å |
| 111 | A | 40.8 | Very low | 49.6 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 72% | 0.719 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.3 | -23 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 112 | Q | 40.8 | Very low | 52.5 | Low | 137 Ų | 137 | 89.2 Ų | 89.2 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -84.5 | -21.2 | -174 | -157.2 | 138.8 | 23.7 | 0 | 0 | 113 | D110 T116 | D110-Q112 VanDerWaalsContact C-N 3.27Å; D110-Q112 PolarHBondContact O-N 3.4Å; Q112-T116 WeakPolarHBondContact O-CB 2.9Å; Q112-T116 WeakPolarHBondContact O-CG2 3.34Å; Q112-T116 PolarHBondContact O-N 2.96Å; Q112-T116 PolarHBondContact O-OG1 3.38Å |
| 113 | S | 45.4 | Very low | 54.8 | Low | 61 Ų | 61 | 87.3 Ų | 87.3 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.1 | -37.2 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | D110 T116 | D110-S113 PolarHBondContact O-OG 2.93Å; D110-S113 VanDerWaalsContact O-OG 3.08Å; S113-T116 PolarHBondContact O-OG1 3.27Å; S113-T116 VanDerWaalsContact O-OG1 3.07Å |
| 114 | H | 48.3 | Very low | 57.5 | Low | 146 Ų | 146 | 86.2 Ų | 86.2 | 68% | 0.676 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75 | -37.7 | 177.4 | -74.9 | -85.8 | 0 | 0 | 0 | 112.3 | H117 L118 | H114-H117 PolarHBondContact O-N 3.27Å; H114-L118 PolarHBondContact O-N 3.1Å |
| 115 | H | 51 | Low | 60 | Low | 81 Ų | 81 | 81 Ų | 81 | 38% | 0.375 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 179.9 | -154.1 | 55.3 | 0 | 0 | 0 | 112.2 | H117 L118 E119 M205 | H115-H117 VanDerWaalsContact C-N 3.28Å; H115-H117 PolarHBondContact O-N 2.93Å; H115-L118 PolarHBondContact O-N 2.94Å; H115-E119 PolarHBondContact O-N 2.79Å; H115-M205 WeakPolarHBondContact CE1-CE 2.97Å |
| 116 | T | 59.1 | Low | 62.4 | Low | 74 Ų | 74 | 80 Ų | 80 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.3 | -27.2 | 178.1 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | Q112 S113 S120 | Q112-T116 WeakPolarHBondContact O-CB 2.9Å; Q112-T116 WeakPolarHBondContact O-CG2 3.34Å; Q112-T116 PolarHBondContact O-N 2.96Å; Q112-T116 PolarHBondContact O-OG1 3.38Å; S113-T116 PolarHBondContact O-OG1 3.27Å; S113-T116 VanDerWaalsContact O-OG1 3.07Å; T116-S120 PolarHBondContact O-N 2.95Å; T116-S120 PolarHBondContact O-OG 2.56Å |
| 117 | H | 77.8 | Confident | 64.5 | Low | 98 Ų | 98 | 82.8 Ų | 82.8 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.4 | -38.8 | 177.6 | -165.6 | -108.1 | 0 | 0 | 0 | 112.1 | H114 H115 S120 A121 F152 | H114-H117 PolarHBondContact O-N 3.27Å; H115-H117 VanDerWaalsContact C-N 3.28Å; H115-H117 PolarHBondContact O-N 2.93Å; H117-S120 PolarHBondContact O-OG 3.38Å; H117-A121 PolarHBondContact O-N 2.79Å; H117-F152 AromaticContact CE1-CD1 3.97Å; H117-F152 AromaticContact CE1-CE1 3.14Å; H117-F152 WeakPolarHBondContact CE1-CE1 3.49Å; H117-F152 AromaticContact CE1-CZ 3.34Å; H117-F152 WeakPolarHBondContact CE1-CZ 3.06Å; H117-F152 AromaticContact CG-CE1 3.95Å; H117-F152 AromaticContact ND1-CD1 3.52Å; H117-F152 AromaticContact ND1-CE1 3.02Å; H117-F152 WeakPolarHBondContact ND1-CE1 3.41Å; H117-F152 AromaticContact ND1-CZ 3.75Å; H117-F152 WeakPolarHBondContact O-CE1 3.5Å |
| 118 | L | 86.6 | Confident | 66.7 | Low | 9 Ų | 9 | 78.7 Ų | 78.7 | 5% | 0.047 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.8 | -43.8 | -179.8 | -179.3 | 62.4 | 0 | 0 | 0 | 112.7 | H114 H115 S120 A121 F152 I162 I201 M205 | H114-L118 PolarHBondContact O-N 3.1Å; H115-L118 PolarHBondContact O-N 2.94Å; L118-S120 PolarHBondContact O-N 2.57Å; L118-A121 WeakPolarHBondContact O-CB 3.37Å; L118-A121 PolarHBondContact O-N 3.3Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-F152 HydrophobicContact CD1-CB 3.96Å; L118-F152 HydrophobicContact CD1-CD1 4.05Å; L118-F152 HydrophobicContact CD1-CG 4.38Å; L118-I162 HydrophobicContact CD1-CD1 3.94Å; L118-I162 HydrophobicContact CD1-CG1 3.57Å; L118-I162 HydrophobicContact CD2-CD1 4.23Å; L118-I201 HydrophobicContact CD1-CG2 3.88Å; L118-I201 HydrophobicContact CD2-CG2 4.27Å; L118-I201 HydrophobicContact CG-CG2 3.76Å; L118-M205 HydrophobicContact CD2-CG 3.75Å; L118-M205 HydrophobicContact CD2-SD 3.99Å; L118-M205 HydrophobicContact CG-SD 4.21Å |
| 119 | E | 83.1 | Confident | 68.5 | Low | 116 Ų | 116 | 77 Ų | 77 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | -179.8 | -169.7 | 177.4 | -170.6 | 0 | 0 | 112.3 | H115 | H115-E119 PolarHBondContact O-N 2.79Å |
| 120 | S | 87.4 | Confident | 69.6 | Low | 40 Ų | 40 | 77.1 Ų | 77.1 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -86.2 | -9.5 | 177.1 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | T116 H117 L118 C122 T123 I124 | T116-S120 PolarHBondContact O-N 2.95Å; T116-S120 PolarHBondContact O-OG 2.56Å; H117-S120 PolarHBondContact O-OG 3.38Å; L118-S120 PolarHBondContact O-N 2.57Å; S120-C122 PolarHBondContact O-N 3.31Å; S120-T123 PolarHBondContact O-N 2.99Å; S120-T123 VanDerWaalsContact O-N 3.15Å; S120-T123 PolarHBondContact O-OG1 3.37Å; S120-I124 WeakPolarHBondContact O-CG1 3.48Å; S120-I124 PolarHBondContact O-N 3.1Å; S120-I124 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 89.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H117 L118 T123 I124 L125 Y148 F149 F152 | H117-A121 PolarHBondContact O-N 2.79Å; L118-A121 WeakPolarHBondContact O-CB 3.37Å; L118-A121 PolarHBondContact O-N 3.3Å; L118-A121 VanDerWaalsContact O-N 3.1Å; A121-T123 PolarHBondContact O-N 3.29Å; A121-I124 PolarHBondContact O-N 2.72Å; A121-L125 WeakPolarHBondContact O-CB 3.49Å; A121-L125 PolarHBondContact O-N 3.3Å; A121-Y148 WeakPolarHBondContact CA-OH 2.97Å; A121-Y148 HydrophobicContact CB-CE1 4.21Å; A121-Y148 PolarHBondContact O-OH 3.16Å; A121-F149 HydrophobicContact CB-CE1 4.04Å; A121-F152 HydrophobicContact CB-CD1 3.94Å; A121-F152 HydrophobicContact CB-CE1 3.45Å; A121-F152 VanDerWaalsContact CB-CE1 3.45Å; A121-F152 HydrophobicContact CB-CZ 3.85Å |
| 122 | C | 89.1 | Confident | 71.4 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 178.4 | -69 | 0 | 0 | 0 | 0 | 111.3 | S120 I124 L125 Y126 C197 S198 I201 | S120-C122 PolarHBondContact O-N 3.31Å; C122-I124 VanDerWaalsContact C-N 3.31Å; C122-I124 PolarHBondContact O-N 3.08Å; C122-L125 WeakPolarHBondContact O-CB 3.03Å; C122-L125 PolarHBondContact O-N 2.89Å; C122-L125 VanDerWaalsContact O-N 3.12Å; C122-Y126 HydrophobicContact CB-CE2 4.16Å; C122-Y126 WeakPolarHBondContact O-CD2 3.16Å; C122-Y126 PolarHBondContact O-N 2.86Å; C122-C197 HydrophobicContact CB-CB 3.8Å; C122-C197 WeakPolarHBondContact CB-SG 3.12Å; C122-C197 WeakPolarHBondContact SG-CB 3.4Å; C122-C197 PolarHBondContact SG-O 3.42Å; C122-C197 CovalentContact SG-SG 2.05Å; C122-C197 PolarHBondContact SG-SG 3.45Å; C122-S198 PolarHBondContact SG-N 3.15Å; C122-I201 VanDerWaalsContact SG-CG1 3.59Å |
| 123 | T | 86.2 | Confident | 72 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 179.7 | 70.7 | 0 | 0 | 0 | 0 | 113 | S120 A121 R127 | S120-T123 PolarHBondContact O-N 2.99Å; S120-T123 VanDerWaalsContact O-N 3.15Å; S120-T123 PolarHBondContact O-OG1 3.37Å; A121-T123 PolarHBondContact O-N 3.29Å; T123-R127 PolarHBondContact O-N 2.95Å; T123-R127 VanDerWaalsContact O-N 3.12Å |
| 124 | I | 87.1 | Confident | 72.2 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 35% | 0.349 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 175.3 | -66.1 | 167 | 0 | 0 | 0 | 109.9 | S120 A121 C122 Y126 R127 Q128 | S120-I124 WeakPolarHBondContact O-CG1 3.48Å; S120-I124 PolarHBondContact O-N 3.1Å; S120-I124 VanDerWaalsContact O-N 3.08Å; A121-I124 PolarHBondContact O-N 2.72Å; C122-I124 VanDerWaalsContact C-N 3.31Å; C122-I124 PolarHBondContact O-N 3.08Å; I124-Y126 PolarHBondContact O-N 2.83Å; I124-R127 PolarHBondContact O-N 3.31Å; I124-Q128 WeakPolarHBondContact O-CB 3.3Å; I124-Q128 PolarHBondContact O-N 3.34Å |
| 125 | L | 84.8 | Confident | 72.2 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.3 | -173.1 | 64.8 | 0 | 0 | 0 | 111.8 | A121 C122 Q128 K129 L145 Y148 F149 L186 | A121-L125 WeakPolarHBondContact O-CB 3.49Å; A121-L125 PolarHBondContact O-N 3.3Å; C122-L125 WeakPolarHBondContact O-CB 3.03Å; C122-L125 PolarHBondContact O-N 2.89Å; C122-L125 VanDerWaalsContact O-N 3.12Å; L125-Q128 PolarHBondContact O-N 3.12Å; L125-K129 PolarHBondContact O-N 3.26Å; L125-K129 VanDerWaalsContact O-N 3.1Å; L125-L145 HydrophobicContact CD2-CD1 4.46Å; L125-Y148 HydrophobicContact CB-CE1 4.09Å; L125-Y148 HydrophobicContact CD1-CD1 3.96Å; L125-Y148 HydrophobicContact CD1-CD2 4.19Å; L125-Y148 HydrophobicContact CD1-CE1 4.21Å; L125-Y148 HydrophobicContact CD1-CE2 4.43Å; L125-Y148 HydrophobicContact CD1-CG 3.95Å; L125-Y148 HydrophobicContact CD2-CD1 4.16Å; L125-Y148 HydrophobicContact CD2-CE1 4.27Å; L125-Y148 HydrophobicContact CG-CD1 4.48Å; L125-Y148 HydrophobicContact CG-CE1 4.43Å; L125-F149 HydrophobicContact CD2-CE2 3.86Å; L125-F149 HydrophobicContact CD2-CZ 4.12Å; L125-L186 HydrophobicContact CD2-CD1 4.41Å; L125-L186 HydrophobicContact CD2-CD2 3.66Å; L125-L186 HydrophobicContact CG-CD2 3.84Å |
| 126 | Y | 80 | Confident | 72 | Confident | 41 Ų | 41 | 83.9 Ų | 83.9 | 16% | 0.161 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.7 | -72.3 | -74.4 | 0 | 0 | 0 | 112.5 | C122 I124 K129 T130 D185 L186 D195 C197 | C122-Y126 HydrophobicContact CB-CE2 4.16Å; C122-Y126 WeakPolarHBondContact O-CD2 3.16Å; C122-Y126 PolarHBondContact O-N 2.86Å; I124-Y126 PolarHBondContact O-N 2.83Å; Y126-K129 WeakPolarHBondContact O-CB 3.38Å; Y126-K129 PolarHBondContact O-N 3.08Å; Y126-T130 PolarHBondContact O-N 3.15Å; Y126-D185 PolarHBondContact OH-OD2 3.08Å; Y126-L186 HydrophobicContact CD1-CB 4.22Å; Y126-L186 HydrophobicContact CD1-CD2 3.84Å; Y126-L186 HydrophobicContact CE1-CB 3.74Å; Y126-L186 HydrophobicContact CE1-CD2 3.59Å; Y126-L186 HydrophobicContact CE1-CG 3.96Å; Y126-L186 HydrophobicContact CE2-CD2 4.27Å; Y126-L186 HydrophobicContact CG-CD2 4.3Å; Y126-D195 HydrophobicContact CE2-CB 3.84Å; Y126-C197 HydrophobicContact CE2-CB 4.05Å; Y126-C197 VanDerWaalsContact OH-CB 3.31Å; Y126-C197 WeakPolarHBondContact OH-CB 3.06Å |
| 127 | R | 80.1 | Confident | 71.7 | Confident | 185 Ų | 185 | 86 Ų | 86 | 70% | 0.698 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | 175.6 | -78.7 | -176.1 | -177.3 | 164.4 | 4.2 | 111.5 | T123 I124 K129 T130 | T123-R127 PolarHBondContact O-N 2.95Å; T123-R127 VanDerWaalsContact O-N 3.12Å; I124-R127 PolarHBondContact O-N 3.31Å; R127-K129 VanDerWaalsContact C-N 3.25Å; R127-K129 PolarHBondContact O-N 2.94Å; R127-T130 PolarHBondContact O-N 3.35Å; R127-T130 PolarHBondContact O-OG1 3.33Å |
| 128 | Q | 77.1 | Confident | 70.3 | Confident | 89 Ų | 89 | 86.1 Ų | 86.1 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 179.9 | -171.9 | 169.8 | 16.7 | 0 | 0 | 111.6 | I124 L125 T130 D131 F132 | I124-Q128 WeakPolarHBondContact O-CB 3.3Å; I124-Q128 PolarHBondContact O-N 3.34Å; L125-Q128 PolarHBondContact O-N 3.12Å; Q128-T130 VanDerWaalsContact C-N 3.33Å; Q128-T130 PolarHBondContact O-N 2.72Å; Q128-D131 PolarHBondContact O-N 3.11Å; Q128-F132 HydrophobicContact CG-CD2 4.05Å; Q128-F132 HydrophobicContact CG-CE2 3.63Å; Q128-F132 WeakPolarHBondContact O-CD2 3.42Å |
| 129 | K | 69.4 | Low | 68.5 | Low | 77 Ų | 77 | 91.1 Ų | 91.1 | 34% | 0.335 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 172.6 | -178.3 | -163.5 | 169 | -154.4 | 0 | 112.8 | L125 Y126 R127 D131 F132 L186 | L125-K129 PolarHBondContact O-N 3.26Å; L125-K129 VanDerWaalsContact O-N 3.1Å; Y126-K129 WeakPolarHBondContact O-CB 3.38Å; Y126-K129 PolarHBondContact O-N 3.08Å; R127-K129 VanDerWaalsContact C-N 3.25Å; R127-K129 PolarHBondContact O-N 2.94Å; K129-D131 PolarHBondContact O-N 3.41Å; K129-F132 PolarHBondContact O-N 3.38Å; K129-F132 VanDerWaalsContact O-N 3.14Å; K129-L186 HydrophobicContact CD-CB 4.44Å; K129-L186 WeakPolarHBondContact CD-O 3.07Å; K129-L186 WeakPolarHBondContact CE-O 3.48Å; K129-L186 PolarHBondContact NZ-O 3.31Å |
| 130 | T | 61.2 | Low | 67.3 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 60% | 0.595 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.7 | -28.5 | -177.8 | 60.5 | 0 | 0 | 0 | 0 | 113 | Y126 R127 Q128 | Y126-T130 PolarHBondContact O-N 3.15Å; R127-T130 PolarHBondContact O-N 3.35Å; R127-T130 PolarHBondContact O-OG1 3.33Å; Q128-T130 VanDerWaalsContact C-N 3.33Å; Q128-T130 PolarHBondContact O-N 2.72Å |
| 131 | D | 59.3 | Low | 66.8 | Low | 136 Ų | 136 | 91 Ų | 91 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.8 | -23.7 | 177.5 | -64.8 | -32.8 | 0 | 0 | 0 | 113.1 | Q128 K129 R133 | Q128-D131 PolarHBondContact O-N 3.11Å; K129-D131 PolarHBondContact O-N 3.41Å; D131-R133 VanDerWaalsContact C-N 3.33Å; D131-R133 PolarHBondContact O-N 3.14Å |
| 132 | F | 55.9 | Low | 66.4 | Low | 92 Ų | 92 | 92.4 Ų | 92.4 | 40% | 0.404 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 7.9 | -176.5 | -83.1 | -69.9 | 0 | 0 | 0 | 115.5 | Q128 K129 S134 S135 F140 | Q128-F132 HydrophobicContact CG-CD2 4.05Å; Q128-F132 HydrophobicContact CG-CE2 3.63Å; Q128-F132 WeakPolarHBondContact O-CD2 3.42Å; K129-F132 PolarHBondContact O-N 3.38Å; K129-F132 VanDerWaalsContact O-N 3.14Å; F132-S134 PolarHBondContact O-N 2.93Å; F132-S135 PolarHBondContact O-N 2.88Å; F132-F140 HydrophobicContact CD1-CE2 4.49Å; F132-F140 HydrophobicContact CD2-CZ 4.3Å; F132-F140 HydrophobicContact CE2-CZ 4.29Å |
| 133 | R | 53.9 | Low | 66.3 | Low | 230 Ų | 230 | 97.6 Ų | 97.6 | 87% | 0.868 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 5.7 | -174.2 | -142.4 | 176.8 | -176.6 | -160.7 | 2 | 115.6 | D131 | D131-R133 VanDerWaalsContact C-N 3.33Å; D131-R133 PolarHBondContact O-N 3.14Å |
| 134 | S | 50.2 | Low | 66.2 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 85% | 0.846 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -2.7 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 115 | F132 | F132-S134 PolarHBondContact O-N 2.93Š|
| 135 | S | 46.9 | Very low | 66.2 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -127.7 | 143.6 | -175.5 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | F132 | F132-S135 PolarHBondContact O-N 2.88Š|
| 136 | T | 48.4 | Very low | 66.5 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | trans | -54.4 | 148.5 | -168.5 | 39.6 | 0 | 0 | 0 | 0 | 115.2 | S138 | T136-S138 PolarHBondContact O-N 2.99Š| ||
| 137 | P | 52.1 | Low | 67 | Low | 118 Ų | 118 | 97 Ų | 97 | 77% | 0.766 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.6 | 8.3 | -157.7 | -9.3 | 28.3 | 0 | 0 | 0 | 117.3 | ||
| 138 | S | 48.4 | Very low | 67.5 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -105.3 | 10.1 | -158 | 60 | 0 | 0 | 0 | 0 | 117 | T136 | T136-S138 PolarHBondContact O-N 2.99Š|
| 139 | T | 48.5 | Very low | 68.2 | Low | 114 Ų | 114 | 86 Ų | 86 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -144.9 | -5.3 | 178.7 | -39.2 | 0 | 0 | 0 | 0 | 115 | S141 | T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 2.88Å; T139-S141 VanDerWaalsContact O-N 3.09Å |
| 140 | F | 59.2 | Low | 69.3 | Low | 90 Ų | 90 | 87.4 Ų | 87.4 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | trans | -84.6 | 67 | 172.5 | -134.4 | -74.2 | 0 | 0 | 0 | 109 | F132 M144 F187 | F132-F140 HydrophobicContact CD1-CE2 4.49Å; F132-F140 HydrophobicContact CD2-CZ 4.3Å; F132-F140 HydrophobicContact CE2-CZ 4.29Å; F140-M144 HydrophobicContact CB-SD 4.23Å; F140-M144 HydrophobicContact CD1-CB 4.21Å; F140-M144 HydrophobicContact CD1-SD 3.51Å; F140-M144 VanDerWaalsContact CD1-SD 3.51Å; F140-M144 HydrophobicContact CD2-CE 3.94Å; F140-M144 HydrophobicContact CD2-SD 3.2Å; F140-M144 WeakPolarHBondContact CD2-SD 3.01Å; F140-M144 HydrophobicContact CE1-CB 4.15Å; F140-M144 HydrophobicContact CE1-SD 3.5Å; F140-M144 WeakPolarHBondContact CE1-SD 2.97Å; F140-M144 HydrophobicContact CE2-CE 3.95Å; F140-M144 HydrophobicContact CE2-SD 3.2Å; F140-M144 WeakPolarHBondContact CE2-SD 3.37Å; F140-M144 HydrophobicContact CG-SD 3.35Å; F140-M144 WeakPolarHBondContact CG-SD 3.32Å; F140-M144 HydrophobicContact CZ-SD 3.34Å; F140-M144 WeakPolarHBondContact CZ-SD 3.3Å; F140-F187 WeakPolarHBondContact O-CE2 3.36Å; F140-F187 WeakPolarHBondContact O-CZ 3.31Å | ||
| 141 | S | 75 | Confident | 70.7 | Confident | 62 Ų | 62 | 89.2 Ų | 89.2 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -129.1 | -31.2 | -157.8 | 154.2 | 0 | 0 | 0 | 0 | 118.2 | T139 V183 | T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 2.88Å; T139-S141 VanDerWaalsContact O-N 3.09Å; S141-V183 VanDerWaalsContact O-CG1 3.23Å; S141-V183 WeakPolarHBondContact O-CG1 3.27Å; S141-V183 WeakPolarHBondContact O-CG2 3.4Å |
| 142 | S | 82.1 | Confident | 72.3 | Confident | 31 Ų | 31 | 83.3 Ų | 83.3 | 22% | 0.217 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -162.2 | -41.8 | 175.1 | -70.7 | 0 | 0 | 0 | 0 | 109.7 | M144 L145 L146 | S142-M144 VanDerWaalsContact C-N 3.34Å; S142-M144 PolarHBondContact O-N 3.47Å; S142-L145 WeakPolarHBondContact O-CB 3.16Å; S142-L145 PolarHBondContact O-N 3.32Å; S142-L145 VanDerWaalsContact O-N 3.16Å; S142-L146 WeakPolarHBondContact O-CG 3.24Å; S142-L146 PolarHBondContact O-N 3.23Å |
| 143 | Q | 86.1 | Confident | 74.1 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.7 | -164 | 61.3 | 35.8 | 0 | 0 | 112.5 | L145 L146 D147 | Q143-L145 VanDerWaalsContact C-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.17Å; Q143-L146 PolarHBondContact O-N 3.35Å; Q143-D147 PolarHBondContact NE2-OD1 3.43Å; Q143-D147 WeakPolarHBondContact O-CB 3.39Å; Q143-D147 PolarHBondContact O-N 3.35Å |
| 144 | M | 85.1 | Confident | 76.1 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 177.6 | -70.3 | -168.1 | 169.9 | 0 | 0 | 113.3 | F140 S142 Y148 | F140-M144 HydrophobicContact CB-SD 4.23Å; F140-M144 HydrophobicContact CD1-CB 4.21Å; F140-M144 HydrophobicContact CD1-SD 3.51Å; F140-M144 VanDerWaalsContact CD1-SD 3.51Å; F140-M144 HydrophobicContact CD2-CE 3.94Å; F140-M144 HydrophobicContact CD2-SD 3.2Å; F140-M144 WeakPolarHBondContact CD2-SD 3.01Å; F140-M144 HydrophobicContact CE1-CB 4.15Å; F140-M144 HydrophobicContact CE1-SD 3.5Å; F140-M144 WeakPolarHBondContact CE1-SD 2.97Å; F140-M144 HydrophobicContact CE2-CE 3.95Å; F140-M144 HydrophobicContact CE2-SD 3.2Å; F140-M144 WeakPolarHBondContact CE2-SD 3.37Å; F140-M144 HydrophobicContact CG-SD 3.35Å; F140-M144 WeakPolarHBondContact CG-SD 3.32Å; F140-M144 HydrophobicContact CZ-SD 3.34Å; F140-M144 WeakPolarHBondContact CZ-SD 3.3Å; S142-M144 VanDerWaalsContact C-N 3.34Å; S142-M144 PolarHBondContact O-N 3.47Å; M144-Y148 WeakPolarHBondContact O-CB 3.44Å; M144-Y148 PolarHBondContact O-N 3.07Å |
| 145 | L | 87.3 | Confident | 78.2 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 175.5 | -175 | 144.2 | 0 | 0 | 0 | 110.4 | L125 S142 Q143 D147 Y148 F149 L166 L179 M182 V183 L186 | L125-L145 HydrophobicContact CD2-CD1 4.46Å; S142-L145 WeakPolarHBondContact O-CB 3.16Å; S142-L145 PolarHBondContact O-N 3.32Å; S142-L145 VanDerWaalsContact O-N 3.16Å; Q143-L145 VanDerWaalsContact C-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.17Å; L145-D147 VanDerWaalsContact C-N 3.35Å; L145-D147 PolarHBondContact O-N 3.12Å; L145-Y148 PolarHBondContact O-N 3.38Å; L145-F149 HydrophobicContact CD2-CD2 3.73Å; L145-F149 HydrophobicContact CD2-CE2 4.07Å; L145-F149 HydrophobicContact CG-CD2 3.9Å; L145-F149 HydrophobicContact CG-CE2 3.99Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.32Å; L145-F149 PolarHBondContact O-N 2.93Å; L145-L166 HydrophobicContact CD2-CD1 3.57Å; L145-L179 HydrophobicContact CD2-CD2 3.68Å; L145-M182 HydrophobicContact CD1-CB 4.16Å; L145-M182 HydrophobicContact CD2-CE 4.45Å; L145-M182 HydrophobicContact CD2-SD 4.23Å; L145-V183 HydrophobicContact CD1-CG2 4.33Å; L145-L186 HydrophobicContact CD1-CD1 3.56Å |
| 146 | L | 90.9 | Very high | 80.6 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.052 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 174 | -70.8 | 171.4 | 0 | 0 | 0 | 111.8 | S142 Q143 F149 R150 S163 L166 L167 L179 | S142-L146 WeakPolarHBondContact O-CG 3.24Å; S142-L146 PolarHBondContact O-N 3.23Å; Q143-L146 PolarHBondContact O-N 3.35Å; L146-F149 CarbonylContact O-C 3.58Å; L146-F149 PolarHBondContact O-N 2.94Å; L146-R150 WeakPolarHBondContact O-CG 3.14Å; L146-R150 PolarHBondContact O-N 3.44Å; L146-S163 WeakPolarHBondContact CA-OG 3.3Å; L146-S163 WeakPolarHBondContact CD2-OG 3.27Å; L146-S163 WeakPolarHBondContact O-CB 3.44Å; L146-S163 PolarHBondContact O-OG 3.16Å; L146-L166 HydrophobicContact CD2-CB 4.36Å; L146-L167 HydrophobicContact CD1-CD1 4.22Å; L146-L167 HydrophobicContact CD1-CD2 3.81Å; L146-L167 HydrophobicContact CD1-CG 4.15Å; L146-L167 HydrophobicContact CD2-CD1 3.97Å; L146-L167 HydrophobicContact CD2-CD2 4.14Å; L146-L167 HydrophobicContact CD2-CG 3.66Å; L146-L179 HydrophobicContact CD1-CD1 3.93Å; L146-L179 HydrophobicContact CD1-CD2 4.46Å; L146-L179 HydrophobicContact CD2-CD1 4.07Å; L146-L179 HydrophobicContact CD2-CD2 3.64Å; L146-L179 HydrophobicContact CD2-CG 4.42Å; L146-L179 HydrophobicContact CG-CD1 4.22Å; L146-L179 HydrophobicContact CG-CD2 3.86Å |
| 147 | D | 90 | Very high | 82.9 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 179.7 | -67.4 | -20.9 | 0 | 0 | 0 | 111.8 | Q143 L145 R150 | Q143-D147 PolarHBondContact NE2-OD1 3.43Å; Q143-D147 WeakPolarHBondContact O-CB 3.39Å; Q143-D147 PolarHBondContact O-N 3.35Å; L145-D147 VanDerWaalsContact C-N 3.35Å; L145-D147 PolarHBondContact O-N 3.12Å; D147-R150 IonicContact OD1-NE 3.38Å; D147-R150 PolarHBondContact OD1-NE 3.15Å |
| 148 | Y | 90.5 | Very high | 84.9 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 171 | 175.3 | -99.9 | 0 | 0 | 0 | 110.9 | A121 L125 M144 L145 R150 F152 | A121-Y148 WeakPolarHBondContact CA-OH 2.97Å; A121-Y148 HydrophobicContact CB-CE1 4.21Å; A121-Y148 PolarHBondContact O-OH 3.16Å; L125-Y148 HydrophobicContact CB-CE1 4.09Å; L125-Y148 HydrophobicContact CD1-CD1 3.96Å; L125-Y148 HydrophobicContact CD1-CD2 4.19Å; L125-Y148 HydrophobicContact CD1-CE1 4.21Å; L125-Y148 HydrophobicContact CD1-CE2 4.43Å; L125-Y148 HydrophobicContact CD1-CG 3.95Å; L125-Y148 HydrophobicContact CD2-CD1 4.16Å; L125-Y148 HydrophobicContact CD2-CE1 4.27Å; L125-Y148 HydrophobicContact CG-CD1 4.48Å; L125-Y148 HydrophobicContact CG-CE1 4.43Å; M144-Y148 WeakPolarHBondContact O-CB 3.44Å; M144-Y148 PolarHBondContact O-N 3.07Å; L145-Y148 PolarHBondContact O-N 3.38Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.4Å; Y148-F152 HydrophobicContact CD1-CE2 4.17Å; Y148-F152 HydrophobicContact CD2-CE2 4.45Å; Y148-F152 AromaticContact CE1-CE2 3.78Å; Y148-F152 HydrophobicContact CE1-CE2 3.78Å; Y148-F152 HydrophobicContact CE1-CZ 4.04Å; Y148-F152 HydrophobicContact CE2-CE2 4.09Å; Y148-F152 HydrophobicContact CE2-CZ 4.25Å; Y148-F152 HydrophobicContact CG-CE2 4.48Å; Y148-F152 AromaticContact CZ-CE2 3.73Å; Y148-F152 AromaticContact CZ-CZ 3.69Å; Y148-F152 VanDerWaalsContact O-CD2 3.24Å; Y148-F152 WeakPolarHBondContact O-CD2 3.02Å; Y148-F152 VanDerWaalsContact O-CE2 3.27Å; Y148-F152 WeakPolarHBondContact O-CE2 3.43Å; Y148-F152 WeakPolarHBondContact OH-CZ 3.47Å |
| 149 | F | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.2 | -4.4 | -176.7 | -78.9 | -59.8 | 0 | 0 | 0 | 115 | A121 L125 L145 L146 N151 F152 I162 S163 L166 I201 | A121-F149 HydrophobicContact CB-CE1 4.04Å; L125-F149 HydrophobicContact CD2-CE2 3.86Å; L125-F149 HydrophobicContact CD2-CZ 4.12Å; L145-F149 HydrophobicContact CD2-CD2 3.73Å; L145-F149 HydrophobicContact CD2-CE2 4.07Å; L145-F149 HydrophobicContact CG-CD2 3.9Å; L145-F149 HydrophobicContact CG-CE2 3.99Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.32Å; L145-F149 PolarHBondContact O-N 2.93Å; L146-F149 CarbonylContact O-C 3.58Å; L146-F149 PolarHBondContact O-N 2.94Å; F149-N151 PolarHBondContact O-N 3.47Å; F149-F152 HydrophobicContact CD1-CB 4.42Å; F149-F152 HydrophobicContact CD1-CD2 4.14Å; F149-F152 HydrophobicContact CD1-CG 4.35Å; F149-F152 PolarHBondContact O-N 2.81Å; F149-I162 HydrophobicContact CB-CB 3.89Å; F149-I162 HydrophobicContact CB-CG2 3.79Å; F149-I162 HydrophobicContact CD1-CB 3.87Å; F149-I162 HydrophobicContact CD1-CG1 4.34Å; F149-I162 HydrophobicContact CD1-CG2 3.52Å; F149-I162 HydrophobicContact CD2-CG2 4.27Å; F149-I162 HydrophobicContact CE1-CG2 4.14Å; F149-I162 HydrophobicContact CG-CB 4.1Å; F149-I162 HydrophobicContact CG-CG2 3.6Å; F149-S163 PolarHBondContact O-N 2.9Å; F149-L166 HydrophobicContact CD2-CD1 3.87Å; F149-L166 HydrophobicContact CE2-CD1 4.44Å; F149-L166 HydrophobicContact CG-CD1 4.35Å; F149-I201 HydrophobicContact CE1-CD1 4.04Å; F149-I201 HydrophobicContact CZ-CD1 4.38Å |
| 150 | R | 91.9 | Very high | 89.2 | Confident | 107 Ų | 107 | 49.7 Ų | 49.7 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.5 | 174.7 | -89.3 | 177.4 | -173.2 | -121.1 | -4.9 | 113.1 | L146 D147 Y148 F152 T161 Q258 | L146-R150 WeakPolarHBondContact O-CG 3.14Å; L146-R150 PolarHBondContact O-N 3.44Å; D147-R150 IonicContact OD1-NE 3.38Å; D147-R150 PolarHBondContact OD1-NE 3.15Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.4Å; R150-F152 VanDerWaalsContact C-N 3.29Å; R150-T161 WeakPolarHBondContact O-CG2 3.34Å; R150-Q258 PolarHBondContact O-NE2 3.04Å |
| 151 | N | 89.7 | Confident | 90.9 | Very high | 134 Ų | 134 | 45.5 Ų | 45.5 | 72% | 0.717 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6 | -176.6 | -62.2 | -32.5 | 0 | 0 | 0 | 113 | F149 | F149-N151 PolarHBondContact O-N 3.47Š|
| 152 | F | 93 | Very high | 91.9 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | trans | -112.9 | 107.8 | -178.3 | -66.8 | -96.2 | 0 | 0 | 0 | 108.5 | H117 L118 A121 Y148 F149 R150 T161 I162 | H117-F152 AromaticContact CE1-CD1 3.97Å; H117-F152 AromaticContact CE1-CE1 3.14Å; H117-F152 WeakPolarHBondContact CE1-CE1 3.49Å; H117-F152 AromaticContact CE1-CZ 3.34Å; H117-F152 WeakPolarHBondContact CE1-CZ 3.06Å; H117-F152 AromaticContact CG-CE1 3.95Å; H117-F152 AromaticContact ND1-CD1 3.52Å; H117-F152 AromaticContact ND1-CE1 3.02Å; H117-F152 WeakPolarHBondContact ND1-CE1 3.41Å; H117-F152 AromaticContact ND1-CZ 3.75Å; H117-F152 WeakPolarHBondContact O-CE1 3.5Å; L118-F152 HydrophobicContact CD1-CB 3.96Å; L118-F152 HydrophobicContact CD1-CD1 4.05Å; L118-F152 HydrophobicContact CD1-CG 4.38Å; A121-F152 HydrophobicContact CB-CD1 3.94Å; A121-F152 HydrophobicContact CB-CE1 3.45Å; A121-F152 VanDerWaalsContact CB-CE1 3.45Å; A121-F152 HydrophobicContact CB-CZ 3.85Å; Y148-F152 HydrophobicContact CD1-CE2 4.17Å; Y148-F152 HydrophobicContact CD2-CE2 4.45Å; Y148-F152 AromaticContact CE1-CE2 3.78Å; Y148-F152 HydrophobicContact CE1-CE2 3.78Å; Y148-F152 HydrophobicContact CE1-CZ 4.04Å; Y148-F152 HydrophobicContact CE2-CE2 4.09Å; Y148-F152 HydrophobicContact CE2-CZ 4.25Å; Y148-F152 HydrophobicContact CG-CE2 4.48Å; Y148-F152 AromaticContact CZ-CE2 3.73Å; Y148-F152 AromaticContact CZ-CZ 3.69Å; Y148-F152 VanDerWaalsContact O-CD2 3.24Å; Y148-F152 WeakPolarHBondContact O-CD2 3.02Å; Y148-F152 VanDerWaalsContact O-CE2 3.27Å; Y148-F152 WeakPolarHBondContact O-CE2 3.43Å; Y148-F152 WeakPolarHBondContact OH-CZ 3.47Å; F149-F152 HydrophobicContact CD1-CB 4.42Å; F149-F152 HydrophobicContact CD1-CD2 4.14Å; F149-F152 HydrophobicContact CD1-CG 4.35Å; F149-F152 PolarHBondContact O-N 2.81Å; R150-F152 VanDerWaalsContact C-N 3.29Å; F152-T161 CarbonylContact O-C 3.44Å; F152-T161 VanDerWaalsContact O-CA 3.23Å; F152-T161 WeakPolarHBondContact O-CA 3.4Å; F152-I162 HydrophobicContact CB-CB 4.46Å; F152-I162 HydrophobicContact CB-CG1 3.98Å; F152-I162 PolarHBondContact O-N 3.19Å | ||
| 153 | S | 94.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -99.1 | 157.5 | 173.2 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | D158 Y160 | S153-D158 WeakPolarHBondContact CB-O 3.49Å; S153-D158 PolarHBondContact OG-O 3.2Å; S153-Y160 WeakPolarHBondContact CA-O 3.38Å |
| 154 | L | 95.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -64.6 | 159.2 | 166.5 | -64.5 | 179.1 | 0 | 0 | 0 | 111.2 | C157 D158 Y160 I162 L165 D208 F252 | L154-C157 HydrophobicContact CB-CB 4.45Å; L154-C157 HydrophobicContact CD1-CB 4.11Å; L154-D158 WeakPolarHBondContact O-CA 3.18Å; L154-Y160 PolarHBondContact N-O 2.69Å; L154-Y160 VanDerWaalsContact N-O 3.14Å; L154-I162 HydrophobicContact CD2-CD1 4.03Å; L154-L165 HydrophobicContact CD1-CD1 3.85Å; L154-L165 HydrophobicContact CD2-CD1 4.21Å; L154-L165 HydrophobicContact CG-CD1 4.11Å; L154-D208 HydrophobicContact CB-CB 4.38Å; L154-D208 HydrophobicContact CD1-CB 4.12Å; L154-D208 HydrophobicContact CD2-CB 4.26Å; L154-F252 HydrophobicContact CD1-CD2 4.18Å; L154-F252 HydrophobicContact CD1-CE1 3.92Å; L154-F252 HydrophobicContact CD1-CE2 3.48Å; L154-F252 VanDerWaalsContact CD1-CE2 3.48Å; L154-F252 HydrophobicContact CD1-CZ 3.32Å | ||
| 155 | S | 95 | Very high | 93.4 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 47% | 0.469 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -75.8 | -46.3 | -176.6 | 37.4 | 0 | 0 | 0 | 0 | 112.9 | D208 | S155-D208 PolarHBondContact N-OD2 3.02Å; S155-D208 PolarHBondContact OG-OD2 3.44Å |
| 156 | F | 97.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -92.6 | -55.9 | -179.6 | 174.3 | -103.7 | 0 | 0 | 0 | 110.6 | D158 D208 A211 Q212 Y215 K244 | F156-D158 PolarHBondContact O-N 3.03Å; F156-D208 WeakPolarHBondContact CB-OD1 3.48Å; F156-D208 PolarHBondContact N-OD1 3.45Å; F156-D208 PolarHBondContact N-OD2 3.02Å; F156-A211 HydrophobicContact CD1-CB 4.03Å; F156-A211 HydrophobicContact CE1-CB 4.09Å; F156-Q212 HydrophobicContact CB-CB 3.94Å; F156-Q212 HydrophobicContact CB-CG 4.41Å; F156-Q212 HydrophobicContact CD1-CB 4.01Å; F156-Q212 HydrophobicContact CD2-CB 3.89Å; F156-Q212 HydrophobicContact CD2-CG 3.83Å; F156-Q212 HydrophobicContact CE2-CB 4.46Å; F156-Q212 HydrophobicContact CE2-CG 4.35Å; F156-Q212 HydrophobicContact CG-CB 3.66Å; F156-Q212 HydrophobicContact CG-CG 4.1Å; F156-Y215 AromaticContact CE2-CD1 3.8Å; F156-Y215 HydrophobicContact CE2-CD1 3.8Å; F156-Y215 HydrophobicContact CE2-CE1 4.48Å; F156-Y215 AromaticContact CE2-CG 3.85Å; F156-Y215 HydrophobicContact CE2-CG 3.85Å; F156-Y215 AromaticContact CZ-CD1 3.91Å; F156-Y215 HydrophobicContact CZ-CD1 3.91Å; F156-Y215 AromaticContact CZ-CD2 3.93Å; F156-Y215 HydrophobicContact CZ-CD2 3.93Å; F156-Y215 AromaticContact CZ-CG 3.44Å; F156-Y215 HydrophobicContact CZ-CG 3.44Å; F156-Y215 VanDerWaalsContact CZ-CG 3.44Å; F156-K244 HydrophobicContact CE1-CG 4.22Å; F156-K244 HydrophobicContact CE2-CD 4.33Å; F156-K244 HydrophobicContact CE2-CG 4.35Å; F156-K244 HydrophobicContact CZ-CD 4.21Å; F156-K244 HydrophobicContact CZ-CG 3.74Å; F156-K244 WeakPolarHBondContact O-CE 3.39Å; F156-K244 PolarHBondContact O-NZ 3.45Å |
| 157 | C | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -81.6 | 57.5 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L154 S159 Y160 D208 C248 F252 | L154-C157 HydrophobicContact CB-CB 4.45Å; L154-C157 HydrophobicContact CD1-CB 4.11Å; C157-S159 PolarHBondContact O-N 2.01Å; C157-Y160 HydrophobicContact CB-CD2 4.18Å; C157-Y160 PolarHBondContact O-N 3.25Å; C157-D208 WeakPolarHBondContact CB-OD1 3.49Å; C157-D208 PolarHBondContact N-OD1 2.93Å; C157-C248 WeakPolarHBondContact CA-SG 3.43Å; C157-C248 HydrophobicContact CB-CB 3.8Å; C157-C248 WeakPolarHBondContact CB-SG 3.45Å; C157-C248 VanDerWaalsContact SG-CA 3.54Å; C157-C248 WeakPolarHBondContact SG-CB 3.05Å; C157-C248 CovalentContact SG-SG 2.04Å; C157-C248 PolarHBondContact SG-SG 2.04Å; C157-F252 HydrophobicContact CB-CD2 4.17Å; C157-F252 HydrophobicContact CB-CE2 3.86Å |
| 158 | D | 93.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 34.7 Ų | 34.7 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20 | -174.1 | 60.6 | -36 | 0 | 0 | 0 | 116 | S153 L154 F156 Y160 K244 | S153-D158 WeakPolarHBondContact CB-O 3.49Å; S153-D158 PolarHBondContact OG-O 3.2Å; L154-D158 WeakPolarHBondContact O-CA 3.18Å; F156-D158 PolarHBondContact O-N 3.03Å; D158-Y160 PolarHBondContact O-N 3.18Å; D158-K244 IonicContact OD1-NZ 3.85Å; D158-K244 PolarHBondContact OD1-NZ 3.38Å |
| 159 | S | 92.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13 | 171.7 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | C157 Q256 | C157-S159 PolarHBondContact O-N 2.01Å; S159-Q256 PolarHBondContact OG-NE2 2.94Å |
| 160 | Y | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -104.1 | 126.6 | 176.3 | -70.9 | -93.5 | 0 | 0 | 0 | 110.9 | S153 L154 C157 D158 L165 C248 S249 F252 A254 Q256 C311 | S153-Y160 WeakPolarHBondContact CA-O 3.38Å; L154-Y160 PolarHBondContact N-O 2.69Å; L154-Y160 VanDerWaalsContact N-O 3.14Å; C157-Y160 HydrophobicContact CB-CD2 4.18Å; C157-Y160 PolarHBondContact O-N 3.25Å; D158-Y160 PolarHBondContact O-N 3.18Å; Y160-L165 HydrophobicContact CD1-CD2 3.88Å; Y160-L165 HydrophobicContact CG-CD2 4.37Å; Y160-C248 HydrophobicContact CD2-CB 4.44Å; Y160-C248 HydrophobicContact CE2-CB 3.91Å; Y160-S249 WeakPolarHBondContact OH-CA 3.25Å; Y160-F252 HydrophobicContact CD1-CB 4Å; Y160-F252 HydrophobicContact CD2-CD2 4.34Å; Y160-F252 HydrophobicContact CE1-CB 3.69Å; Y160-F252 HydrophobicContact CE2-CB 4.24Å; Y160-F252 HydrophobicContact CE2-CD2 4.48Å; Y160-F252 HydrophobicContact CG-CB 4.39Å; Y160-F252 PolarHBondContact OH-O 3.5Å; Y160-F252 VanDerWaalsContact OH-O 3.13Å; Y160-A254 HydrophobicContact CD1-CB 4.4Å; Y160-A254 HydrophobicContact CE1-CB 4.16Å; Y160-A254 WeakPolarHBondContact CE1-O 3.46Å; Y160-Q256 HydrophobicContact CD1-CG 4.07Å; Y160-Q256 HydrophobicContact CE1-CG 3.82Å; Y160-Q256 HydrophobicContact CE2-CG 4.36Å; Y160-Q256 HydrophobicContact CG-CG 4.45Å; Y160-C311 PolarHBondContact OH-SG 3.37Å | ||
| 161 | T | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -91.2 | 156.1 | 167.5 | 68 | 0 | 0 | 0 | 0 | 110.6 | R150 F152 S163 D164 L165 Q258 | R150-T161 WeakPolarHBondContact O-CG2 3.34Å; F152-T161 CarbonylContact O-C 3.44Å; F152-T161 VanDerWaalsContact O-CA 3.23Å; F152-T161 WeakPolarHBondContact O-CA 3.4Å; T161-S163 PolarHBondContact O-N 3.11Å; T161-D164 WeakPolarHBondContact CB-OD2 3.49Å; T161-D164 PolarHBondContact N-OD2 3.24Å; T161-D164 WeakPolarHBondContact O-CB 3.41Å; T161-D164 PolarHBondContact O-N 3.32Å; T161-D164 PolarHBondContact OG1-N 2.97Å; T161-D164 PolarHBondContact OG1-OD2 3.4Å; T161-L165 WeakPolarHBondContact O-CG 3.48Å; T161-L165 PolarHBondContact O-N 3.15Å; T161-L165 VanDerWaalsContact O-N 3.16Å; T161-Q258 HydrophobicContact CG2-CG 4.35Å |
| 162 | I | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.9 | -38.6 | 171.3 | -61.3 | -53.7 | 0 | 0 | 0 | 110.1 | L118 F149 F152 L154 D164 L165 L166 I201 | L118-I162 HydrophobicContact CD1-CD1 3.94Å; L118-I162 HydrophobicContact CD1-CG1 3.57Å; L118-I162 HydrophobicContact CD2-CD1 4.23Å; F149-I162 HydrophobicContact CB-CB 3.89Å; F149-I162 HydrophobicContact CB-CG2 3.79Å; F149-I162 HydrophobicContact CD1-CB 3.87Å; F149-I162 HydrophobicContact CD1-CG1 4.34Å; F149-I162 HydrophobicContact CD1-CG2 3.52Å; F149-I162 HydrophobicContact CD2-CG2 4.27Å; F149-I162 HydrophobicContact CE1-CG2 4.14Å; F149-I162 HydrophobicContact CG-CB 4.1Å; F149-I162 HydrophobicContact CG-CG2 3.6Å; F152-I162 HydrophobicContact CB-CB 4.46Å; F152-I162 HydrophobicContact CB-CG1 3.98Å; F152-I162 PolarHBondContact O-N 3.19Å; L154-I162 HydrophobicContact CD2-CD1 4.03Å; I162-D164 VanDerWaalsContact C-N 3.31Å; I162-D164 PolarHBondContact O-N 3.04Å; I162-L165 HydrophobicContact CD1-CD1 4.22Å; I162-L165 PolarHBondContact O-N 2.53Å; I162-L165 VanDerWaalsContact O-N 3.11Å; I162-L166 HydrophobicContact CG2-CD1 3.79Å; I162-L166 HydrophobicContact CG2-CD2 4.48Å; I162-L166 HydrophobicContact CG2-CG 3.93Å; I162-L166 VanDerWaalsContact O-CG 3.23Å; I162-L166 WeakPolarHBondContact O-CG 3.38Å; I162-L166 PolarHBondContact O-N 3.19Å; I162-I201 HydrophobicContact CB-CD1 4.38Å; I162-I201 HydrophobicContact CD1-CD1 3.99Å; I162-I201 HydrophobicContact CG1-CD1 4.04Å; I162-I201 HydrophobicContact CG2-CD1 3.42Å; I162-I201 VanDerWaalsContact CG2-CD1 3.42Å |
| 163 | S | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.3 | -44.4 | 174.8 | -155.8 | 0 | 0 | 0 | 0 | 113.1 | L146 F149 T161 L167 | L146-S163 WeakPolarHBondContact CA-OG 3.3Å; L146-S163 WeakPolarHBondContact CD2-OG 3.27Å; L146-S163 WeakPolarHBondContact O-CB 3.44Å; L146-S163 PolarHBondContact O-OG 3.16Å; F149-S163 PolarHBondContact O-N 2.9Å; T161-S163 PolarHBondContact O-N 3.11Å; S163-L167 WeakPolarHBondContact O-CG 3.42Å; S163-L167 PolarHBondContact O-N 2.76Å |
| 164 | D | 95.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.4 | -58.4 | -44.1 | 0 | 0 | 0 | 111.2 | T161 I162 L167 G168 T255 S257 | T161-D164 WeakPolarHBondContact CB-OD2 3.49Å; T161-D164 PolarHBondContact N-OD2 3.24Å; T161-D164 WeakPolarHBondContact O-CB 3.41Å; T161-D164 PolarHBondContact O-N 3.32Å; T161-D164 PolarHBondContact OG1-N 2.97Å; T161-D164 PolarHBondContact OG1-OD2 3.4Å; I162-D164 VanDerWaalsContact C-N 3.31Å; I162-D164 PolarHBondContact O-N 3.04Å; D164-L167 PolarHBondContact O-N 3.14Å; D164-G168 PolarHBondContact O-N 2.04Å; D164-T255 WeakPolarHBondContact CB-O 3.34Å; D164-S257 WeakPolarHBondContact OD1-CB 3.44Å; D164-S257 PolarHBondContact OD1-N 2.86Å; D164-S257 PolarHBondContact OD1-OG 2.83Å |
| 165 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -40.8 | -178.8 | -60.5 | 177.1 | 0 | 0 | 0 | 112.1 | L154 Y160 T161 I162 L167 G168 M169 Y204 F252 A254 | L154-L165 HydrophobicContact CD1-CD1 3.85Å; L154-L165 HydrophobicContact CD2-CD1 4.21Å; L154-L165 HydrophobicContact CG-CD1 4.11Å; Y160-L165 HydrophobicContact CD1-CD2 3.88Å; Y160-L165 HydrophobicContact CG-CD2 4.37Å; T161-L165 WeakPolarHBondContact O-CG 3.48Å; T161-L165 PolarHBondContact O-N 3.15Å; T161-L165 VanDerWaalsContact O-N 3.16Å; I162-L165 HydrophobicContact CD1-CD1 4.22Å; I162-L165 PolarHBondContact O-N 2.53Å; I162-L165 VanDerWaalsContact O-N 3.11Å; L165-L167 PolarHBondContact O-N 3.32Å; L165-G168 PolarHBondContact O-N 3.3Å; L165-M169 CarbonylContact O-C 3.59Å; L165-M169 VanDerWaalsContact O-C 3.28Å; L165-M169 WeakPolarHBondContact O-CA 3.49Å; L165-M169 PolarHBondContact O-N 2.99Å; L165-M169 VanDerWaalsContact O-O 3.14Å; L165-Y204 HydrophobicContact CB-CD1 4.12Å; L165-Y204 HydrophobicContact CB-CE1 3.78Å; L165-Y204 HydrophobicContact CB-CE2 4.27Å; L165-Y204 HydrophobicContact CB-CG 4.49Å; L165-Y204 HydrophobicContact CD1-CD1 3.74Å; L165-Y204 HydrophobicContact CD1-CD2 4.33Å; L165-Y204 HydrophobicContact CD1-CE1 4.28Å; L165-Y204 HydrophobicContact CD1-CG 3.77Å; L165-Y204 HydrophobicContact CG-CD1 4.39Å; L165-Y204 HydrophobicContact CG-CE1 4.48Å; L165-Y204 PolarHBondContact O-OH 3.14Å; L165-F252 HydrophobicContact CD1-CD1 4.4Å; L165-F252 HydrophobicContact CD1-CE1 4.34Å; L165-F252 HydrophobicContact CD2-CB 3.9Å; L165-F252 HydrophobicContact CD2-CD1 3.51Å; L165-F252 HydrophobicContact CD2-CE1 4.26Å; L165-F252 HydrophobicContact CD2-CG 3.85Å; L165-A254 HydrophobicContact CD2-CB 4.24Å |
| 166 | L | 93.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -27.2 | 177.7 | -63.9 | -179.4 | 0 | 0 | 0 | 112.9 | L145 L146 F149 I162 L179 M182 Y204 | L145-L166 HydrophobicContact CD2-CD1 3.57Å; L146-L166 HydrophobicContact CD2-CB 4.36Å; F149-L166 HydrophobicContact CD2-CD1 3.87Å; F149-L166 HydrophobicContact CE2-CD1 4.44Å; F149-L166 HydrophobicContact CG-CD1 4.35Å; I162-L166 HydrophobicContact CG2-CD1 3.79Å; I162-L166 HydrophobicContact CG2-CD2 4.48Å; I162-L166 HydrophobicContact CG2-CG 3.93Å; I162-L166 VanDerWaalsContact O-CG 3.23Å; I162-L166 WeakPolarHBondContact O-CG 3.38Å; I162-L166 PolarHBondContact O-N 3.19Å; L166-L179 HydrophobicContact CB-CD2 4.05Å; L166-L179 HydrophobicContact CB-CG 4.46Å; L166-L179 HydrophobicContact CD1-CD2 4.47Å; L166-M182 HydrophobicContact CB-CE 4Å; L166-M182 HydrophobicContact CD1-CE 3.53Å; L166-M182 HydrophobicContact CD1-SD 3.64Å; L166-M182 HydrophobicContact CD2-CE 3.1Å; L166-M182 HydrophobicContact CD2-SD 3.65Å; L166-M182 HydrophobicContact CG-CE 3.63Å; L166-M182 HydrophobicContact CG-SD 4.19Å; L166-Y204 HydrophobicContact CD2-CE2 3.73Å |
| 167 | L | 92.6 | Very high | 92.7 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -82.7 | -44 | 175.2 | -76.3 | 168 | 0 | 0 | 0 | 112.9 | L146 S163 D164 L165 L179 | L146-L167 HydrophobicContact CD1-CD1 4.22Å; L146-L167 HydrophobicContact CD1-CD2 3.81Å; L146-L167 HydrophobicContact CD1-CG 4.15Å; L146-L167 HydrophobicContact CD2-CD1 3.97Å; L146-L167 HydrophobicContact CD2-CD2 4.14Å; L146-L167 HydrophobicContact CD2-CG 3.66Å; S163-L167 WeakPolarHBondContact O-CG 3.42Å; S163-L167 PolarHBondContact O-N 2.76Å; D164-L167 PolarHBondContact O-N 3.14Å; L165-L167 PolarHBondContact O-N 3.32Å; L167-L179 HydrophobicContact CD2-CD1 3.72Å; L167-L179 HydrophobicContact CG-CD1 4.44Å |
| 168 | G | 90.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -95.8 | -27.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | D164 L165 | D164-G168 PolarHBondContact O-N 2.04Å; L165-G168 PolarHBondContact O-N 3.3Å |
| 169 | M | 92.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 36.7 Ų | 36.7 | 16% | 0.163 | 23% | 0.23 | C | C | . | . | trans | -133.9 | 78.5 | -171.8 | -178.4 | 174.8 | -84.7 | 0 | 0 | 111.2 | L165 S171 Y204 Y251 F252 N253 | L165-M169 CarbonylContact O-C 3.59Å; L165-M169 VanDerWaalsContact O-C 3.28Å; L165-M169 WeakPolarHBondContact O-CA 3.49Å; L165-M169 PolarHBondContact O-N 2.99Å; L165-M169 VanDerWaalsContact O-O 3.14Å; M169-S171 PolarHBondContact O-N 3.39Å; M169-Y204 HydrophobicContact CG-CE1 4.31Å; M169-Y204 PolarHBondContact O-OH 3.34Å; M169-Y204 HydrophobicContact SD-CE1 4.33Å; M169-Y251 WeakPolarHBondContact CE-O 3.49Å; M169-F252 HydrophobicContact SD-CD1 4.09Å; M169-N253 HydrophobicContact CE-CB 3.91Å | ||
| 170 | S | 89.6 | Confident | 92.1 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -75.8 | -3.4 | -177.1 | 61.3 | 0 | 0 | 0 | 0 | 115.1 | C177 S178 | S170-C177 CarbonylContact O-C 3.44Å; S170-C177 WeakPolarHBondContact O-CA 3.08Å; S170-C177 PolarHBondContact O-N 3.14Å; S170-S178 PolarHBondContact O-N 2.83Å |
| 171 | S | 90.5 | Very high | 91.7 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | trans | -138.4 | 61.6 | -175.6 | 65.4 | 0 | 0 | 0 | 0 | 115 | M169 L175 | M169-S171 PolarHBondContact O-N 3.39Å; S171-L175 WeakPolarHBondContact CA-O 3.28Å; S171-L175 VanDerWaalsContact CB-O 3.26Å; S171-L175 WeakPolarHBondContact CB-O 3.02Å | ||
| 172 | P | 91.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -65.2 | 140.4 | 170 | 32.3 | -36.4 | 0 | 0 | 0 | 110 | S174 L175 C177 A203 Y204 L207 | P172-S174 PolarHBondContact O-N 3.46Å; P172-L175 VanDerWaalsContact O-CB 3.26Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 PolarHBondContact O-N 3.48Å; P172-C177 HydrophobicContact CG-CB 4.14Å; P172-C177 VanDerWaalsContact CG-SG 3.54Å; P172-A203 HydrophobicContact CB-CB 4.18Å; P172-A203 HydrophobicContact CG-CB 4.13Å; P172-Y204 HydrophobicContact CB-CD1 4Å; P172-Y204 HydrophobicContact CB-CE1 3.76Å; P172-Y204 HydrophobicContact CG-CD1 4.14Å; P172-Y204 HydrophobicContact CG-CE1 3.61Å; P172-Y204 HydrophobicContact CG-CE2 4.34Å; P172-L207 HydrophobicContact CB-CD1 3.9Å |
| 173 | D | 88.4 | Confident | 90.9 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | 49 | 29.8 | 178.4 | -67 | -10.1 | 0 | 0 | 0 | 115 | L175 R206 | D173-L175 PolarHBondContact O-N 3.15Å; D173-R206 IonicContact OD2-CZ 3.95Å; D173-R206 IonicContact OD2-NH1 3.17Å; D173-R206 PolarHBondContact OD2-NH1 2.05Å |
| 174 | S | 89.3 | Confident | 90.4 | Very high | 124 Ų | 124 | 49 Ų | 49 | 87% | 0.867 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 65.5 | 12.9 | -173.9 | -43.7 | 0 | 0 | 0 | 0 | 115.8 | P172 | P172-S174 PolarHBondContact O-N 3.46Š|
| 175 | L | 90.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | trans | -74.4 | 166.1 | 171.3 | -62 | 165.4 | 0 | 0 | 0 | 110.8 | S171 P172 D173 I199 A203 | S171-L175 WeakPolarHBondContact CA-O 3.28Å; S171-L175 VanDerWaalsContact CB-O 3.26Å; S171-L175 WeakPolarHBondContact CB-O 3.02Å; P172-L175 VanDerWaalsContact O-CB 3.26Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 PolarHBondContact O-N 3.48Å; D173-L175 PolarHBondContact O-N 3.15Å; L175-I199 HydrophobicContact CD1-CG2 3.76Å; L175-I199 HydrophobicContact CD2-CG2 3.94Å; L175-I199 HydrophobicContact CG-CG2 4.48Å; L175-A203 HydrophobicContact CD1-CB 3.52Å | ||
| 176 | N | 92.4 | Very high | 88.8 | Confident | 90 Ų | 90 | 51.3 Ų | 51.3 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | trans | -107.3 | 89.8 | 170.7 | -174.4 | -6.6 | 0 | 0 | 0 | 109.8 | S178 N181 | N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 VanDerWaalsContact OD1-CB 3.3Å; N176-S178 WeakPolarHBondContact OD1-CB 3.44Å; N176-S178 PolarHBondContact OD1-N 3.31Å; N176-S178 PolarHBondContact OD1-OG 3.1Å; N176-N181 PolarHBondContact O-ND2 2.76Å | ||
| 177 | C | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -99.2 | 28.4 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | S170 P172 M182 C200 Y204 | S170-C177 CarbonylContact O-C 3.44Å; S170-C177 WeakPolarHBondContact O-CA 3.08Å; S170-C177 PolarHBondContact O-N 3.14Å; P172-C177 HydrophobicContact CG-CB 4.14Å; P172-C177 VanDerWaalsContact CG-SG 3.54Å; C177-M182 VanDerWaalsContact O-CE 3.24Å; C177-M182 WeakPolarHBondContact O-CE 3.23Å; C177-C200 WeakPolarHBondContact CA-SG 3.4Å; C177-C200 HydrophobicContact CB-CB 3.75Å; C177-C200 WeakPolarHBondContact CB-SG 3.34Å; C177-C200 WeakPolarHBondContact SG-CA 3.24Å; C177-C200 WeakPolarHBondContact SG-CB 3.39Å; C177-C200 CovalentContact SG-SG 2.03Å; C177-C200 PolarHBondContact SG-SG 2.66Å; C177-Y204 HydrophobicContact CB-CE2 4.47Å | ||
| 178 | S | 92 | Very high | 86.7 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | trans | -63.3 | 147 | 172.2 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | S170 N176 Q180 N181 M182 | S170-S178 PolarHBondContact O-N 2.83Å; N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 VanDerWaalsContact OD1-CB 3.3Å; N176-S178 WeakPolarHBondContact OD1-CB 3.44Å; N176-S178 PolarHBondContact OD1-N 3.31Å; N176-S178 PolarHBondContact OD1-OG 3.1Å; S178-Q180 PolarHBondContact O-N 3.25Å; S178-N181 PolarHBondContact O-N 2.99Å; S178-N181 WeakPolarHBondContact OG-CB 3.47Å; S178-N181 PolarHBondContact OG-N 3.31Å; S178-M182 PolarHBondContact O-N 3.41Å; S178-M182 VanDerWaalsContact O-N 3.07Å | ||
| 179 | L | 89.6 | Confident | 85 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -50.8 | -41.4 | 175.6 | -74.9 | 166.1 | 0 | 0 | 0 | 112.2 | L145 L146 L166 L167 N181 M182 V183 | L145-L179 HydrophobicContact CD2-CD2 3.68Å; L146-L179 HydrophobicContact CD1-CD1 3.93Å; L146-L179 HydrophobicContact CD1-CD2 4.46Å; L146-L179 HydrophobicContact CD2-CD1 4.07Å; L146-L179 HydrophobicContact CD2-CD2 3.64Å; L146-L179 HydrophobicContact CD2-CG 4.42Å; L146-L179 HydrophobicContact CG-CD1 4.22Å; L146-L179 HydrophobicContact CG-CD2 3.86Å; L166-L179 HydrophobicContact CB-CD2 4.05Å; L166-L179 HydrophobicContact CB-CG 4.46Å; L166-L179 HydrophobicContact CD1-CD2 4.47Å; L167-L179 HydrophobicContact CD2-CD1 3.72Å; L167-L179 HydrophobicContact CG-CD1 4.44Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.3Å; L179-M182 HydrophobicContact CD2-CE 4.3Å; L179-M182 PolarHBondContact O-N 3.34Å; L179-V183 VanDerWaalsContact O-CB 3.3Å; L179-V183 WeakPolarHBondContact O-CB 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.21Å; L179-V183 PolarHBondContact O-N 3.02Å |
| 180 | Q | 87.7 | Confident | 83.2 | Confident | 136 Ų | 136 | 60 Ų | 60 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 177.9 | -168.5 | 66.2 | 46 | 0 | 0 | 112.2 | S178 L184 | S178-Q180 PolarHBondContact O-N 3.25Å; Q180-L184 VanDerWaalsContact O-CB 3.3Å; Q180-L184 WeakPolarHBondContact O-CB 3.48Å; Q180-L184 PolarHBondContact O-N 2.76Å |
| 181 | N | 87.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.6 | -44.2 | -179.4 | -162.8 | 40.7 | 0 | 0 | 0 | 111.7 | N176 S178 L179 V183 L184 D185 | N176-N181 PolarHBondContact O-ND2 2.76Å; S178-N181 PolarHBondContact O-N 2.99Å; S178-N181 WeakPolarHBondContact OG-CB 3.47Å; S178-N181 PolarHBondContact OG-N 3.31Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.3Å; N181-V183 VanDerWaalsContact C-N 3.28Å; N181-V183 PolarHBondContact O-N 3.29Å; N181-L184 PolarHBondContact O-N 3.47Å; N181-D185 WeakPolarHBondContact O-CB 3.16Å; N181-D185 PolarHBondContact O-N 3.38Å |
| 182 | M | 86.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 174 | -82.1 | 179.1 | -80 | 0 | 0 | 112.5 | L145 L166 C177 S178 L179 L186 | L145-M182 HydrophobicContact CD1-CB 4.16Å; L145-M182 HydrophobicContact CD2-CE 4.45Å; L145-M182 HydrophobicContact CD2-SD 4.23Å; L166-M182 HydrophobicContact CB-CE 4Å; L166-M182 HydrophobicContact CD1-CE 3.53Å; L166-M182 HydrophobicContact CD1-SD 3.64Å; L166-M182 HydrophobicContact CD2-CE 3.1Å; L166-M182 HydrophobicContact CD2-SD 3.65Å; L166-M182 HydrophobicContact CG-CE 3.63Å; L166-M182 HydrophobicContact CG-SD 4.19Å; C177-M182 VanDerWaalsContact O-CE 3.24Å; C177-M182 WeakPolarHBondContact O-CE 3.23Å; S178-M182 PolarHBondContact O-N 3.41Å; S178-M182 VanDerWaalsContact O-N 3.07Å; L179-M182 HydrophobicContact CD2-CE 4.3Å; L179-M182 PolarHBondContact O-N 3.34Å; M182-L186 WeakPolarHBondContact O-CA 3.3Å; M182-L186 VanDerWaalsContact O-CD1 3.27Å; M182-L186 WeakPolarHBondContact O-CD1 3.31Å; M182-L186 WeakPolarHBondContact O-CG 3.11Å; M182-L186 PolarHBondContact O-N 2.84Å |
| 183 | V | 85.5 | Confident | 78 | Confident | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | S141 L145 L179 N181 D185 L186 F187 | S141-V183 VanDerWaalsContact O-CG1 3.23Å; S141-V183 WeakPolarHBondContact O-CG1 3.27Å; S141-V183 WeakPolarHBondContact O-CG2 3.4Å; L145-V183 HydrophobicContact CD1-CG2 4.33Å; L179-V183 VanDerWaalsContact O-CB 3.3Å; L179-V183 WeakPolarHBondContact O-CB 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.21Å; L179-V183 PolarHBondContact O-N 3.02Å; N181-V183 VanDerWaalsContact C-N 3.28Å; N181-V183 PolarHBondContact O-N 3.29Å; V183-D185 VanDerWaalsContact C-N 3.34Å; V183-L186 CarbonylContact O-C 3.46Å; V183-L186 WeakPolarHBondContact O-CA 3.42Å; V183-L186 PolarHBondContact O-N 3.36Å; V183-F187 HydrophobicContact CG1-CD2 3.79Å; V183-F187 HydrophobicContact CG1-CE2 3.8Å; V183-F187 WeakPolarHBondContact O-CD2 3.18Å; V183-F187 PolarHBondContact O-N 3.07Å |
| 184 | L | 83.6 | Confident | 77 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175 | -178.5 | 65.1 | 0 | 0 | 0 | 111.4 | Q180 N181 F187 S188 | Q180-L184 VanDerWaalsContact O-CB 3.3Å; Q180-L184 WeakPolarHBondContact O-CB 3.48Å; Q180-L184 PolarHBondContact O-N 2.76Å; N181-L184 PolarHBondContact O-N 3.47Å; L184-F187 PolarHBondContact O-N 2.97Å; L184-F187 VanDerWaalsContact O-N 3.1Å; L184-S188 WeakPolarHBondContact O-CB 3.23Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.37Å |
| 185 | D | 81 | Confident | 76.5 | Confident | 35 Ų | 35 | 72 Ų | 72 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62 | -46 | 173.5 | -173.5 | 64.5 | 0 | 0 | 0 | 111.3 | Y126 N181 V183 F187 S188 V196 | Y126-D185 PolarHBondContact OH-OD2 3.08Å; N181-D185 WeakPolarHBondContact O-CB 3.16Å; N181-D185 PolarHBondContact O-N 3.38Å; V183-D185 VanDerWaalsContact C-N 3.34Å; D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 PolarHBondContact O-N 2.76Å; D185-F187 VanDerWaalsContact O-N 3.15Å; D185-S188 PolarHBondContact O-N 3.21Å; D185-V196 HydrophobicContact CB-CB 3.81Å; D185-V196 HydrophobicContact CB-CG2 3.93Å; D185-V196 WeakPolarHBondContact OD1-CG2 3.35Å; D185-V196 PolarHBondContact OD2-N 3.45Å; D185-V196 VanDerWaalsContact OD2-N 3.15Å |
| 186 | L | 77.3 | Confident | 76.5 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.094 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -27.2 | -58.4 | 156.3 | 59.5 | 66.5 | 0 | 0 | 0 | 113.4 | L125 Y126 K129 L145 M182 V183 | L125-L186 HydrophobicContact CD2-CD1 4.41Å; L125-L186 HydrophobicContact CD2-CD2 3.66Å; L125-L186 HydrophobicContact CG-CD2 3.84Å; Y126-L186 HydrophobicContact CD1-CB 4.22Å; Y126-L186 HydrophobicContact CD1-CD2 3.84Å; Y126-L186 HydrophobicContact CE1-CB 3.74Å; Y126-L186 HydrophobicContact CE1-CD2 3.59Å; Y126-L186 HydrophobicContact CE1-CG 3.96Å; Y126-L186 HydrophobicContact CE2-CD2 4.27Å; Y126-L186 HydrophobicContact CG-CD2 4.3Å; K129-L186 HydrophobicContact CD-CB 4.44Å; K129-L186 WeakPolarHBondContact CD-O 3.07Å; K129-L186 WeakPolarHBondContact CE-O 3.48Å; K129-L186 PolarHBondContact NZ-O 3.31Å; L145-L186 HydrophobicContact CD1-CD1 3.56Å; M182-L186 WeakPolarHBondContact O-CA 3.3Å; M182-L186 VanDerWaalsContact O-CD1 3.27Å; M182-L186 WeakPolarHBondContact O-CD1 3.31Å; M182-L186 WeakPolarHBondContact O-CG 3.11Å; M182-L186 PolarHBondContact O-N 2.84Å; V183-L186 CarbonylContact O-C 3.46Å; V183-L186 WeakPolarHBondContact O-CA 3.42Å; V183-L186 PolarHBondContact O-N 3.36Å |
| 187 | F | 70.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -102 | -11.1 | -169.4 | -72.6 | -72.3 | 0 | 0 | 0 | 114.8 | F140 V183 L184 D185 S189 | F140-F187 WeakPolarHBondContact O-CE2 3.36Å; F140-F187 WeakPolarHBondContact O-CZ 3.31Å; V183-F187 HydrophobicContact CG1-CD2 3.79Å; V183-F187 HydrophobicContact CG1-CE2 3.8Å; V183-F187 WeakPolarHBondContact O-CD2 3.18Å; V183-F187 PolarHBondContact O-N 3.07Å; L184-F187 PolarHBondContact O-N 2.97Å; L184-F187 VanDerWaalsContact O-N 3.1Å; D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 PolarHBondContact O-N 2.76Å; D185-F187 VanDerWaalsContact O-N 3.15Å; F187-S189 PolarHBondContact O-N 3.29Å |
| 188 | S | 71.3 | Confident | 76.2 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -74.7 | 123.1 | 178.7 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | L184 D185 G190 | L184-S188 WeakPolarHBondContact O-CB 3.23Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.37Å; D185-S188 PolarHBondContact O-N 3.21Å; S188-G190 PolarHBondContact O-N 2.77Å |
| 189 | S | 54.6 | Low | 76.2 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 78% | 0.776 | 40% | 0.401 | S | S | * | . | trans | -88.3 | 98.1 | -169.2 | -165.2 | 0 | 0 | 0 | 0 | 110.4 | F187 | F187-S189 PolarHBondContact O-N 3.29Š| ||
| 190 | G | 55.2 | Low | 76.4 | Confident | 82 Ų | 82 | 67 Ų | 67 | 85% | 0.845 | 39% | 0.394 | S | S | * | . | trans | 81.3 | 122.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | S188 | S188-G190 PolarHBondContact O-N 2.77Š| ||
| 191 | G | 49.3 | Very low | 76.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | trans | 177.9 | 144.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107 | D193 | G191-D193 PolarHBondContact O-N 3.24Š| ||
| 192 | D | 54.8 | Low | 76.9 | Confident | 186 Ų | 186 | 62.6 Ų | 62.6 | 100% | 0.995 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -62.3 | 26.2 | 174.7 | -75.6 | -43.3 | 0 | 0 | 0 | 113.6 | ||
| 193 | D | 57.3 | Low | 77.4 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -83 | 137.9 | 173.9 | -80.9 | -23.7 | 0 | 0 | 0 | 109 | G191 D195 | G191-D193 PolarHBondContact O-N 3.24Å; D193-D195 PolarHBondContact O-N 2.83Å; D193-D195 VanDerWaalsContact O-N 3.13Å |
| 194 | E | 66.8 | Low | 77.9 | Confident | 137 Ų | 137 | 62 Ų | 62 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | trans | -50.9 | 114.2 | -179.7 | -164.9 | 179.7 | 177.3 | 0 | 0 | 111.2 | V196 I199 | E194-V196 PolarHBondContact O-N 2.88Å; E194-I199 HydrophobicContact CB-CD1 3.93Å; E194-I199 HydrophobicContact CB-CG1 4.35Å; E194-I199 HydrophobicContact CG-CD1 3.72Å; E194-I199 HydrophobicContact CG-CG1 3.61Å; E194-I199 WeakPolarHBondContact O-CD1 3.21Å | ||
| 195 | D | 80.7 | Confident | 78.5 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | trans | -57 | 126.8 | -173 | -61.9 | -50.2 | 0 | 0 | 0 | 111.6 | Y126 D193 C197 S198 I199 | Y126-D195 HydrophobicContact CE2-CB 3.84Å; D193-D195 PolarHBondContact O-N 2.83Å; D193-D195 VanDerWaalsContact O-N 3.13Å; D195-C197 PolarHBondContact O-N 2.03Å; D195-C197 VanDerWaalsContact O-N 3.15Å; D195-S198 WeakPolarHBondContact O-CB 3.48Å; D195-S198 PolarHBondContact O-N 3.3Å; D195-I199 PolarHBondContact O-N 2.88Å; D195-I199 VanDerWaalsContact O-N 3.1Å | ||
| 196 | V | 88.6 | Confident | 79.2 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.1 | -36.7 | -177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | D185 E194 I199 C200 | D185-V196 HydrophobicContact CB-CB 3.81Å; D185-V196 HydrophobicContact CB-CG2 3.93Å; D185-V196 WeakPolarHBondContact OD1-CG2 3.35Å; D185-V196 PolarHBondContact OD2-N 3.45Å; D185-V196 VanDerWaalsContact OD2-N 3.15Å; E194-V196 PolarHBondContact O-N 2.88Å; V196-I199 PolarHBondContact O-N 3.49Å; V196-C200 WeakPolarHBondContact O-CB 3.3Å; V196-C200 PolarHBondContact O-N 2.84Å; V196-C200 PolarHBondContact O-SG 2.73Å; V196-C200 VanDerWaalsContact O-SG 3.35Å |
| 197 | C | 90 | Very high | 80.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.8 | -54 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 111 | C122 Y126 D195 I199 C200 I201 | C122-C197 HydrophobicContact CB-CB 3.8Å; C122-C197 WeakPolarHBondContact CB-SG 3.12Å; C122-C197 WeakPolarHBondContact SG-CB 3.4Å; C122-C197 PolarHBondContact SG-O 3.42Å; C122-C197 CovalentContact SG-SG 2.05Å; C122-C197 PolarHBondContact SG-SG 3.45Å; Y126-C197 HydrophobicContact CE2-CB 4.05Å; Y126-C197 VanDerWaalsContact OH-CB 3.31Å; Y126-C197 WeakPolarHBondContact OH-CB 3.06Å; D195-C197 PolarHBondContact O-N 2.03Å; D195-C197 VanDerWaalsContact O-N 3.15Å; C197-I199 PolarHBondContact O-N 2.81Å; C197-C200 PolarHBondContact O-N 3.49Å; C197-I201 VanDerWaalsContact O-CG1 3.3Å; C197-I201 WeakPolarHBondContact O-CG1 3.3Å; C197-I201 PolarHBondContact O-N 3.21Å |
| 198 | S | 90 | Very high | 81.4 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | C122 D195 C200 I201 Q202 | C122-S198 PolarHBondContact SG-N 3.15Å; D195-S198 WeakPolarHBondContact O-CB 3.48Å; D195-S198 PolarHBondContact O-N 3.3Å; S198-C200 PolarHBondContact O-N 3.46Å; S198-I201 PolarHBondContact O-N 2.76Å; S198-Q202 WeakPolarHBondContact O-CB 3.49Å; S198-Q202 VanDerWaalsContact O-CG 3.26Å; S198-Q202 WeakPolarHBondContact O-CG 3.34Å; S198-Q202 PolarHBondContact O-N 3.14Å |
| 199 | I | 91.5 | Very high | 82.7 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.6 | -62.1 | 173.3 | 0 | 0 | 0 | 110.9 | L175 E194 D195 V196 C197 Q202 A203 | L175-I199 HydrophobicContact CD1-CG2 3.76Å; L175-I199 HydrophobicContact CD2-CG2 3.94Å; L175-I199 HydrophobicContact CG-CG2 4.48Å; E194-I199 HydrophobicContact CB-CD1 3.93Å; E194-I199 HydrophobicContact CB-CG1 4.35Å; E194-I199 HydrophobicContact CG-CD1 3.72Å; E194-I199 HydrophobicContact CG-CG1 3.61Å; E194-I199 WeakPolarHBondContact O-CD1 3.21Å; D195-I199 PolarHBondContact O-N 2.88Å; D195-I199 VanDerWaalsContact O-N 3.1Å; V196-I199 PolarHBondContact O-N 3.49Å; C197-I199 PolarHBondContact O-N 2.81Å; I199-Q202 PolarHBondContact O-N 3.29Å; I199-A203 WeakPolarHBondContact O-CB 3.49Å; I199-A203 PolarHBondContact O-N 2.5Å |
| 200 | C | 93.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -45.2 | -180 | -76.4 | 0 | 0 | 0 | 0 | 112.5 | C177 V196 C197 S198 Q202 A203 Y204 | C177-C200 WeakPolarHBondContact CA-SG 3.4Å; C177-C200 HydrophobicContact CB-CB 3.75Å; C177-C200 WeakPolarHBondContact CB-SG 3.34Å; C177-C200 WeakPolarHBondContact SG-CA 3.24Å; C177-C200 WeakPolarHBondContact SG-CB 3.39Å; C177-C200 CovalentContact SG-SG 2.03Å; C177-C200 PolarHBondContact SG-SG 2.66Å; V196-C200 WeakPolarHBondContact O-CB 3.3Å; V196-C200 PolarHBondContact O-N 2.84Å; V196-C200 PolarHBondContact O-SG 2.73Å; V196-C200 VanDerWaalsContact O-SG 3.35Å; C197-C200 PolarHBondContact O-N 3.49Å; S198-C200 PolarHBondContact O-N 3.46Å; C200-Q202 PolarHBondContact O-N 2.9Å; C200-A203 WeakPolarHBondContact O-CB 3.36Å; C200-A203 PolarHBondContact O-N 2.75Å; C200-Y204 HydrophobicContact CB-CE2 4.5Å; C200-Y204 WeakPolarHBondContact O-CD2 3.06Å; C200-Y204 PolarHBondContact O-N 3.24Å; C200-Y204 VanDerWaalsContact O-N 3.09Å |
| 201 | I | 93.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.6 | -64.3 | -56.4 | 0 | 0 | 0 | 110.8 | L118 C122 F149 I162 C197 S198 A203 Y204 M205 | L118-I201 HydrophobicContact CD1-CG2 3.88Å; L118-I201 HydrophobicContact CD2-CG2 4.27Å; L118-I201 HydrophobicContact CG-CG2 3.76Å; C122-I201 VanDerWaalsContact SG-CG1 3.59Å; F149-I201 HydrophobicContact CE1-CD1 4.04Å; F149-I201 HydrophobicContact CZ-CD1 4.38Å; I162-I201 HydrophobicContact CB-CD1 4.38Å; I162-I201 HydrophobicContact CD1-CD1 3.99Å; I162-I201 HydrophobicContact CG1-CD1 4.04Å; I162-I201 HydrophobicContact CG2-CD1 3.42Å; I162-I201 VanDerWaalsContact CG2-CD1 3.42Å; C197-I201 VanDerWaalsContact O-CG1 3.3Å; C197-I201 WeakPolarHBondContact O-CG1 3.3Å; C197-I201 PolarHBondContact O-N 3.21Å; S198-I201 PolarHBondContact O-N 2.76Å; I201-A203 VanDerWaalsContact C-N 3.3Å; I201-A203 PolarHBondContact O-N 3.16Å; I201-Y204 PolarHBondContact O-N 2.89Å; I201-M205 HydrophobicContact CG2-CG 4.39Å; I201-M205 HydrophobicContact CG2-SD 3.79Å; I201-M205 VanDerWaalsContact O-CG 3.3Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 3Å |
| 202 | Q | 93.8 | Very high | 89.1 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 176.2 | -74.7 | 178.7 | 4 | 0 | 0 | 112.7 | S198 I199 C200 M205 R206 | S198-Q202 WeakPolarHBondContact O-CB 3.49Å; S198-Q202 VanDerWaalsContact O-CG 3.26Å; S198-Q202 WeakPolarHBondContact O-CG 3.34Å; S198-Q202 PolarHBondContact O-N 3.14Å; I199-Q202 PolarHBondContact O-N 3.29Å; C200-Q202 PolarHBondContact O-N 2.9Å; Q202-M205 PolarHBondContact O-N 3.35Å; Q202-R206 WeakPolarHBondContact O-CB 3.39Å; Q202-R206 PolarHBondContact O-N 3.01Å |
| 203 | A | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P172 L175 I199 C200 I201 M205 R206 L207 | P172-A203 HydrophobicContact CB-CB 4.18Å; P172-A203 HydrophobicContact CG-CB 4.13Å; L175-A203 HydrophobicContact CD1-CB 3.52Å; I199-A203 WeakPolarHBondContact O-CB 3.49Å; I199-A203 PolarHBondContact O-N 2.5Å; C200-A203 WeakPolarHBondContact O-CB 3.36Å; C200-A203 PolarHBondContact O-N 2.75Å; I201-A203 VanDerWaalsContact C-N 3.3Å; I201-A203 PolarHBondContact O-N 3.16Å; A203-M205 PolarHBondContact O-N 2.03Å; A203-R206 PolarHBondContact O-N 3.46Å; A203-L207 PolarHBondContact O-N 2.67Å |
| 204 | Y | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 174.7 | -63.7 | -58.8 | 0 | 0 | 0 | 112.3 | L165 L166 M169 P172 C177 C200 I201 R206 L207 D208 F252 | L165-Y204 HydrophobicContact CB-CD1 4.12Å; L165-Y204 HydrophobicContact CB-CE1 3.78Å; L165-Y204 HydrophobicContact CB-CE2 4.27Å; L165-Y204 HydrophobicContact CB-CG 4.49Å; L165-Y204 HydrophobicContact CD1-CD1 3.74Å; L165-Y204 HydrophobicContact CD1-CD2 4.33Å; L165-Y204 HydrophobicContact CD1-CE1 4.28Å; L165-Y204 HydrophobicContact CD1-CG 3.77Å; L165-Y204 HydrophobicContact CG-CD1 4.39Å; L165-Y204 HydrophobicContact CG-CE1 4.48Å; L165-Y204 PolarHBondContact O-OH 3.14Å; L166-Y204 HydrophobicContact CD2-CE2 3.73Å; M169-Y204 HydrophobicContact CG-CE1 4.31Å; M169-Y204 PolarHBondContact O-OH 3.34Å; M169-Y204 HydrophobicContact SD-CE1 4.33Å; P172-Y204 HydrophobicContact CB-CD1 4Å; P172-Y204 HydrophobicContact CB-CE1 3.76Å; P172-Y204 HydrophobicContact CG-CD1 4.14Å; P172-Y204 HydrophobicContact CG-CE1 3.61Å; P172-Y204 HydrophobicContact CG-CE2 4.34Å; C177-Y204 HydrophobicContact CB-CE2 4.47Å; C200-Y204 HydrophobicContact CB-CE2 4.5Å; C200-Y204 WeakPolarHBondContact O-CD2 3.06Å; C200-Y204 PolarHBondContact O-N 3.24Å; C200-Y204 VanDerWaalsContact O-N 3.09Å; I201-Y204 PolarHBondContact O-N 2.89Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.06Å; Y204-L207 PolarHBondContact O-N 3.04Å; Y204-D208 WeakPolarHBondContact O-CB 3.38Å; Y204-D208 PolarHBondContact O-N 2.97Å; Y204-F252 HydrophobicContact CD1-CE1 4.32Å |
| 205 | M | 95.5 | Very high | 94.5 | Very high | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 175.2 | -69.7 | 168.9 | 69.9 | 0 | 0 | 112.1 | H115 L118 I201 Q202 A203 D208 Q209 | H115-M205 WeakPolarHBondContact CE1-CE 2.97Å; L118-M205 HydrophobicContact CD2-CG 3.75Å; L118-M205 HydrophobicContact CD2-SD 3.99Å; L118-M205 HydrophobicContact CG-SD 4.21Å; I201-M205 HydrophobicContact CG2-CG 4.39Å; I201-M205 HydrophobicContact CG2-SD 3.79Å; I201-M205 VanDerWaalsContact O-CG 3.3Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 3Å; Q202-M205 PolarHBondContact O-N 3.35Å; A203-M205 PolarHBondContact O-N 2.03Å; M205-D208 WeakPolarHBondContact O-CB 2.95Å; M205-D208 PolarHBondContact O-N 2.93Å; M205-Q209 PolarHBondContact O-N 2.95Å |
| 206 | R | 96.3 | Very high | 95.3 | Very high | 104 Ų | 104 | 42 Ų | 42 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.7 | -170.4 | -172 | -57.9 | 118.1 | 5.6 | 112 | D173 Q202 A203 Y204 D208 Q209 H210 | D173-R206 IonicContact OD2-CZ 3.95Å; D173-R206 IonicContact OD2-NH1 3.17Å; D173-R206 PolarHBondContact OD2-NH1 2.05Å; Q202-R206 WeakPolarHBondContact O-CB 3.39Å; Q202-R206 PolarHBondContact O-N 3.01Å; A203-R206 PolarHBondContact O-N 3.46Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.06Å; R206-D208 VanDerWaalsContact C-N 3.32Å; R206-Q209 PolarHBondContact O-N 2.95Å; R206-H210 PolarHBondContact O-N 3.5Å; R206-H210 PolarHBondContact O-ND1 2.95Å |
| 207 | L | 97.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 173.6 | -69 | 174.2 | 0 | 0 | 0 | 111.5 | P172 A203 Y204 H210 A211 Y251 F252 | P172-L207 HydrophobicContact CB-CD1 3.9Å; A203-L207 PolarHBondContact O-N 2.67Å; Y204-L207 PolarHBondContact O-N 3.04Å; L207-H210 PolarHBondContact O-N 2.83Å; L207-A211 PolarHBondContact O-N 3.09Å; L207-Y251 HydrophobicContact CB-CD1 4.34Å; L207-Y251 HydrophobicContact CD2-CD1 4.25Å; L207-Y251 WeakPolarHBondContact O-CD1 3.49Å; L207-F252 HydrophobicContact CB-CE1 3.79Å; L207-F252 HydrophobicContact CB-CZ 3.78Å; L207-F252 HydrophobicContact CD1-CE1 4.13Å |
| 208 | D | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.6 | -168 | 49 | 0 | 0 | 0 | 111.6 | L154 S155 F156 C157 Y204 M205 R206 A211 Q212 F252 | L154-D208 HydrophobicContact CB-CB 4.38Å; L154-D208 HydrophobicContact CD1-CB 4.12Å; L154-D208 HydrophobicContact CD2-CB 4.26Å; S155-D208 PolarHBondContact N-OD2 3.02Å; S155-D208 PolarHBondContact OG-OD2 3.44Å; F156-D208 WeakPolarHBondContact CB-OD1 3.48Å; F156-D208 PolarHBondContact N-OD1 3.45Å; F156-D208 PolarHBondContact N-OD2 3.02Å; C157-D208 WeakPolarHBondContact CB-OD1 3.49Å; C157-D208 PolarHBondContact N-OD1 2.93Å; Y204-D208 WeakPolarHBondContact O-CB 3.38Å; Y204-D208 PolarHBondContact O-N 2.97Å; M205-D208 WeakPolarHBondContact O-CB 2.95Å; M205-D208 PolarHBondContact O-N 2.93Å; R206-D208 VanDerWaalsContact C-N 3.32Å; D208-A211 WeakPolarHBondContact O-CB 3.3Å; D208-A211 PolarHBondContact O-N 3.22Å; D208-Q212 PolarHBondContact O-N 3.49Å; D208-F252 HydrophobicContact CB-CZ 4.32Å |
| 209 | Q | 97.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.2 | -177.1 | -177.2 | -8.8 | 0 | 0 | 111.9 | M205 R206 A211 Q212 E213 | M205-Q209 PolarHBondContact O-N 2.95Å; R206-Q209 PolarHBondContact O-N 2.95Å; Q209-A211 VanDerWaalsContact C-N 3.28Å; Q209-A211 PolarHBondContact O-N 3.46Å; Q209-Q212 WeakPolarHBondContact O-CB 3.26Å; Q209-Q212 PolarHBondContact O-N 3.1Å; Q209-Q212 VanDerWaalsContact O-N 3.13Å; Q209-E213 PolarHBondContact NE2-OE1 2.72Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.13Å |
| 210 | H | 97.9 | Very high | 95.8 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.6 | -69 | 150.6 | 0 | 0 | 0 | 112 | R206 L207 Q212 E213 K214 Y251 | R206-H210 PolarHBondContact O-N 3.5Å; R206-H210 PolarHBondContact O-ND1 2.95Å; L207-H210 PolarHBondContact O-N 2.83Å; H210-Q212 VanDerWaalsContact C-N 3.35Å; H210-E213 IonicContact CD2-OE2 3.51Å; H210-E213 PolarHBondContact O-N 3.24Å; H210-K214 WeakPolarHBondContact O-CG 3.49Å; H210-K214 PolarHBondContact O-N 3.38Å; H210-K214 VanDerWaalsContact O-N 3.08Å; H210-Y251 HydrophobicContact CB-CE1 3.57Å; H210-Y251 PolarHBondContact O-OH 3.42Å |
| 211 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F156 L207 D208 Q209 K214 Y215 L247 Y251 | F156-A211 HydrophobicContact CD1-CB 4.03Å; F156-A211 HydrophobicContact CE1-CB 4.09Å; L207-A211 PolarHBondContact O-N 3.09Å; D208-A211 WeakPolarHBondContact O-CB 3.3Å; D208-A211 PolarHBondContact O-N 3.22Å; Q209-A211 VanDerWaalsContact C-N 3.28Å; Q209-A211 PolarHBondContact O-N 3.46Å; A211-K214 PolarHBondContact O-N 3.24Å; A211-Y215 WeakPolarHBondContact O-CB 3.49Å; A211-Y215 PolarHBondContact O-N 3.43Å; A211-L247 WeakPolarHBondContact O-CD2 3.4Å; A211-Y251 HydrophobicContact CB-CD1 4.29Å; A211-Y251 HydrophobicContact CB-CD2 3.74Å; A211-Y251 HydrophobicContact CB-CE1 4.48Å; A211-Y251 HydrophobicContact CB-CE2 3.95Å; A211-Y251 HydrophobicContact CB-CG 3.91Å |
| 212 | Q | 98.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 175.1 | -176.1 | 179.5 | -19 | 0 | 0 | 111.9 | F156 D208 Q209 H210 K214 Y215 E216 | F156-Q212 HydrophobicContact CB-CB 3.94Å; F156-Q212 HydrophobicContact CB-CG 4.41Å; F156-Q212 HydrophobicContact CD1-CB 4.01Å; F156-Q212 HydrophobicContact CD2-CB 3.89Å; F156-Q212 HydrophobicContact CD2-CG 3.83Å; F156-Q212 HydrophobicContact CE2-CB 4.46Å; F156-Q212 HydrophobicContact CE2-CG 4.35Å; F156-Q212 HydrophobicContact CG-CB 3.66Å; F156-Q212 HydrophobicContact CG-CG 4.1Å; D208-Q212 PolarHBondContact O-N 3.49Å; Q209-Q212 WeakPolarHBondContact O-CB 3.26Å; Q209-Q212 PolarHBondContact O-N 3.1Å; Q209-Q212 VanDerWaalsContact O-N 3.13Å; H210-Q212 VanDerWaalsContact C-N 3.35Å; Q212-K214 VanDerWaalsContact C-N 3.28Å; Q212-K214 PolarHBondContact O-N 2.96Å; Q212-Y215 WeakPolarHBondContact O-CB 3.44Å; Q212-Y215 PolarHBondContact O-N 3Å; Q212-Y215 VanDerWaalsContact O-N 3.07Å; Q212-E216 HydrophobicContact CG-CG 4.42Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.49Å; Q212-E216 PolarHBondContact NE2-OE1 2.93Å; Q212-E216 WeakPolarHBondContact O-CG 3.38Å; Q212-E216 PolarHBondContact O-N 3.34Å |
| 213 | E | 97.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 178.9 | -71 | 171.3 | -173.8 | 0 | 0 | 111.4 | Q209 H210 E216 E217 | Q209-E213 PolarHBondContact NE2-OE1 2.72Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.13Å; H210-E213 IonicContact CD2-OE2 3.51Å; H210-E213 PolarHBondContact O-N 3.24Å; E213-E216 PolarHBondContact O-N 3.32Å; E213-E217 PolarHBondContact O-N 3.32Å |
| 214 | K | 97.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 63.2 Ų | 63.2 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 174.6 | -70.4 | -47.9 | -177.4 | -166.9 | 0 | 113.7 | I2 H210 A211 Q212 E217 F218 L247 Y251 | I2-K214 HydrophobicContact CD1-CB 4.46Å; I2-K214 HydrophobicContact CD1-CD 4.31Å; I2-K214 HydrophobicContact CD1-CG 4.35Å; H210-K214 WeakPolarHBondContact O-CG 3.49Å; H210-K214 PolarHBondContact O-N 3.38Å; H210-K214 VanDerWaalsContact O-N 3.08Å; A211-K214 PolarHBondContact O-N 3.24Å; Q212-K214 VanDerWaalsContact C-N 3.28Å; Q212-K214 PolarHBondContact O-N 2.96Å; K214-E217 IonicContact NZ-OE1 3Å; K214-E217 PolarHBondContact NZ-OE1 2.72Å; K214-E217 IonicContact NZ-OE2 2.76Å; K214-E217 PolarHBondContact NZ-OE2 3.27Å; K214-E217 VanDerWaalsContact NZ-OE2 3.17Å; K214-F218 PolarHBondContact O-N 2.84Å; K214-L247 HydrophobicContact CB-CD1 4.25Å; K214-L247 HydrophobicContact CB-CD2 4.05Å; K214-Y251 WeakPolarHBondContact CG-OH 3.44Å |
| 215 | Y | 97.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 69.8 Ų | 69.8 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 173.7 | -178.1 | -93.6 | 0 | 0 | 0 | 112 | F156 A211 Q212 F218 D219 K240 Y243 K244 | F156-Y215 AromaticContact CE2-CD1 3.8Å; F156-Y215 HydrophobicContact CE2-CD1 3.8Å; F156-Y215 HydrophobicContact CE2-CE1 4.48Å; F156-Y215 AromaticContact CE2-CG 3.85Å; F156-Y215 HydrophobicContact CE2-CG 3.85Å; F156-Y215 AromaticContact CZ-CD1 3.91Å; F156-Y215 HydrophobicContact CZ-CD1 3.91Å; F156-Y215 AromaticContact CZ-CD2 3.93Å; F156-Y215 HydrophobicContact CZ-CD2 3.93Å; F156-Y215 AromaticContact CZ-CG 3.44Å; F156-Y215 HydrophobicContact CZ-CG 3.44Å; F156-Y215 VanDerWaalsContact CZ-CG 3.44Å; A211-Y215 WeakPolarHBondContact O-CB 3.49Å; A211-Y215 PolarHBondContact O-N 3.43Å; Q212-Y215 WeakPolarHBondContact O-CB 3.44Å; Q212-Y215 PolarHBondContact O-N 3Å; Q212-Y215 VanDerWaalsContact O-N 3.07Å; Y215-F218 HydrophobicContact CD2-CD1 4.38Å; Y215-F218 HydrophobicContact CE2-CD1 4.23Å; Y215-F218 HydrophobicContact CE2-CE1 4.41Å; Y215-F218 CarbonylContact O-C 3.55Å; Y215-F218 WeakPolarHBondContact O-CA 3.15Å; Y215-F218 WeakPolarHBondContact O-CB 3.35Å; Y215-F218 PolarHBondContact O-N 2.72Å; Y215-F218 VanDerWaalsContact O-N 3.15Å; Y215-D219 HydrophobicContact CE1-CB 4.21Å; Y215-D219 WeakPolarHBondContact O-CB 3.34Å; Y215-D219 PolarHBondContact O-N 3.01Å; Y215-K240 WeakPolarHBondContact OH-CB 3.36Å; Y215-Y243 AromaticContact CD2-CD1 3.9Å; Y215-Y243 HydrophobicContact CD2-CD1 3.9Å; Y215-Y243 HydrophobicContact CD2-CE1 4.36Å; Y215-Y243 HydrophobicContact CE2-CD1 4.23Å; Y215-K244 HydrophobicContact CD2-CB 4.06Å; Y215-K244 HydrophobicContact CD2-CG 4.48Å; Y215-K244 HydrophobicContact CE2-CB 3.77Å; Y215-K244 HydrophobicContact CE2-CG 4.46Å |
| 216 | E | 96.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 70.8 Ų | 70.8 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 177.6 | -71.9 | 175.7 | -174.8 | 0 | 0 | 112 | Q212 E213 F218 D219 F220 | Q212-E216 HydrophobicContact CG-CG 4.42Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.49Å; Q212-E216 PolarHBondContact NE2-OE1 2.93Å; Q212-E216 WeakPolarHBondContact O-CG 3.38Å; Q212-E216 PolarHBondContact O-N 3.34Å; E213-E216 PolarHBondContact O-N 3.32Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.01Å; E216-D219 PolarHBondContact O-N 2.9Å; E216-F220 VanDerWaalsContact O-CB 3.26Å; E216-F220 WeakPolarHBondContact O-CB 2.93Å; E216-F220 PolarHBondContact O-N 2.84Å |
| 217 | E | 94.2 | Very high | 90.3 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57 | -44 | 169.3 | -75.4 | 177.7 | -154.6 | 0 | 0 | 111.3 | E213 K214 F221 | E213-E217 PolarHBondContact O-N 3.32Å; K214-E217 IonicContact NZ-OE1 3Å; K214-E217 PolarHBondContact NZ-OE1 2.72Å; K214-E217 IonicContact NZ-OE2 2.76Å; K214-E217 PolarHBondContact NZ-OE2 3.27Å; K214-E217 VanDerWaalsContact NZ-OE2 3.17Å; E217-F221 PolarHBondContact O-N 3.1Å |
| 218 | F | 93.3 | Very high | 88.9 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 176.5 | 166 | -91.4 | 0 | 0 | 0 | 112.1 | K214 Y215 E216 F220 F221 F222 K240 Y243 | K214-F218 PolarHBondContact O-N 2.84Å; Y215-F218 HydrophobicContact CD2-CD1 4.38Å; Y215-F218 HydrophobicContact CE2-CD1 4.23Å; Y215-F218 HydrophobicContact CE2-CE1 4.41Å; Y215-F218 CarbonylContact O-C 3.55Å; Y215-F218 WeakPolarHBondContact O-CA 3.15Å; Y215-F218 WeakPolarHBondContact O-CB 3.35Å; Y215-F218 PolarHBondContact O-N 2.72Å; Y215-F218 VanDerWaalsContact O-N 3.15Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.01Å; F218-F220 VanDerWaalsContact C-N 3.32Å; F218-F220 PolarHBondContact O-N 2.86Å; F218-F221 WeakPolarHBondContact O-CA 3.37Å; F218-F221 VanDerWaalsContact O-CB 3.29Å; F218-F221 WeakPolarHBondContact O-CB 3.08Å; F218-F221 PolarHBondContact O-N 2.67Å; F218-F221 VanDerWaalsContact O-N 3.07Å; F218-F222 HydrophobicContact CD1-CD2 4.26Å; F218-F222 HydrophobicContact CD1-CE2 4.27Å; F218-F222 HydrophobicContact CD2-CD2 4.39Å; F218-F222 AromaticContact CD2-CE2 3.91Å; F218-F222 HydrophobicContact CD2-CE2 3.91Å; F218-F222 AromaticContact CE1-CD2 3.92Å; F218-F222 HydrophobicContact CE1-CD2 3.92Å; F218-F222 AromaticContact CE1-CE2 3.64Å; F218-F222 HydrophobicContact CE1-CE2 3.64Å; F218-F222 HydrophobicContact CE1-CZ 4.37Å; F218-F222 HydrophobicContact CE2-CD2 4.11Å; F218-F222 AromaticContact CE2-CE2 3.27Å; F218-F222 HydrophobicContact CE2-CE2 3.27Å; F218-F222 HydrophobicContact CE2-CZ 4.05Å; F218-F222 HydrophobicContact CG-CD2 4.49Å; F218-F222 HydrophobicContact CG-CE2 4.39Å; F218-F222 AromaticContact CZ-CD2 3.86Å; F218-F222 HydrophobicContact CZ-CD2 3.86Å; F218-F222 AromaticContact CZ-CE2 3.1Å; F218-F222 HydrophobicContact CZ-CE2 3.1Å; F218-F222 AromaticContact CZ-CZ 3.66Å; F218-F222 HydrophobicContact CZ-CZ 3.66Å; F218-F222 WeakPolarHBondContact O-CD2 3.34Å; F218-F222 PolarHBondContact O-N 2.96Å; F218-K240 HydrophobicContact CE1-CG 4.16Å; F218-Y243 HydrophobicContact CB-CD1 4.16Å; F218-Y243 HydrophobicContact CB-CE1 3.49Å; F218-Y243 VanDerWaalsContact CB-CE1 3.49Å; F218-Y243 AromaticContact CD1-CD1 3.41Å; F218-Y243 HydrophobicContact CD1-CD1 3.41Å; F218-Y243 VanDerWaalsContact CD1-CD1 3.41Å; F218-Y243 AromaticContact CD1-CE1 3.69Å; F218-Y243 HydrophobicContact CD1-CE1 3.69Å; F218-Y243 HydrophobicContact CD1-CG 4.02Å; F218-Y243 AromaticContact CD2-CD1 3.76Å; F218-Y243 HydrophobicContact CD2-CD1 3.76Å; F218-Y243 AromaticContact CD2-CD2 3.86Å; F218-Y243 HydrophobicContact CD2-CD2 3.86Å; F218-Y243 AromaticContact CD2-CE1 3.56Å; F218-Y243 HydrophobicContact CD2-CE1 3.56Å; F218-Y243 AromaticContact CD2-CE2 3.65Å; F218-Y243 HydrophobicContact CD2-CE2 3.65Å; F218-Y243 AromaticContact CD2-CG 3.91Å; F218-Y243 HydrophobicContact CD2-CG 3.91Å; F218-Y243 AromaticContact CD2-CZ 3.5Å; F218-Y243 VanDerWaalsContact CD2-CZ 3.5Å; F218-Y243 AromaticContact CE1-CD1 3.55Å; F218-Y243 HydrophobicContact CE1-CD1 3.55Å; F218-Y243 HydrophobicContact CE1-CD2 4.49Å; F218-Y243 HydrophobicContact CE1-CE1 4.24Å; F218-Y243 AromaticContact CE1-CG 3.7Å; F218-Y243 HydrophobicContact CE1-CG 3.7Å; F218-Y243 AromaticContact CE2-CD1 3.84Å; F218-Y243 HydrophobicContact CE2-CD1 3.84Å; F218-Y243 AromaticContact CE2-CD2 3.47Å; F218-Y243 HydrophobicContact CE2-CD2 3.47Å; F218-Y243 VanDerWaalsContact CE2-CD2 3.47Å; F218-Y243 HydrophobicContact CE2-CE1 4.09Å; F218-Y243 AromaticContact CE2-CE2 3.73Å; F218-Y243 HydrophobicContact CE2-CE2 3.73Å; F218-Y243 AromaticContact CE2-CG 3.53Å; F218-Y243 HydrophobicContact CE2-CG 3.53Å; F218-Y243 AromaticContact CG-CD1 3.52Å; F218-Y243 HydrophobicContact CG-CD1 3.52Å; F218-Y243 HydrophobicContact CG-CD2 4.47Å; F218-Y243 AromaticContact CG-CE1 3.31Å; F218-Y243 HydrophobicContact CG-CE1 3.31Å; F218-Y243 HydrophobicContact CG-CE2 4.29Å; F218-Y243 HydrophobicContact CG-CG 4.11Å; F218-Y243 AromaticContact CG-CZ 3.73Å; F218-Y243 AromaticContact CZ-CD1 3.75Å; F218-Y243 HydrophobicContact CZ-CD1 3.75Å; F218-Y243 AromaticContact CZ-CD2 3.84Å; F218-Y243 HydrophobicContact CZ-CD2 3.84Å; F218-Y243 HydrophobicContact CZ-CE1 4.41Å; F218-Y243 HydrophobicContact CZ-CE2 4.48Å; F218-Y243 AromaticContact CZ-CG 3.42Å; F218-Y243 HydrophobicContact CZ-CG 3.42Å; F218-Y243 VanDerWaalsContact CZ-CG 3.42Å |
| 219 | D | 92.3 | Very high | 88 | Confident | 44 Ų | 44 | 83.2 Ų | 83.2 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -178.9 | -168.4 | 42.2 | 0 | 0 | 0 | 111.5 | Y215 E216 F221 F222 L223 K240 | Y215-D219 HydrophobicContact CE1-CB 4.21Å; Y215-D219 WeakPolarHBondContact O-CB 3.34Å; Y215-D219 PolarHBondContact O-N 3.01Å; E216-D219 PolarHBondContact O-N 2.9Å; D219-F221 VanDerWaalsContact C-N 3.29Å; D219-F221 PolarHBondContact O-N 3.13Å; D219-F222 WeakPolarHBondContact O-CB 3.47Å; D219-F222 PolarHBondContact O-N 3.13Å; D219-F222 VanDerWaalsContact O-N 3.11Å; D219-L223 PolarHBondContact O-N 3.13Å; D219-L223 VanDerWaalsContact O-N 3.1Å; D219-K240 WeakPolarHBondContact OD1-CE 3.46Å; D219-K240 IonicContact OD1-NZ 3.74Å; D219-K240 PolarHBondContact OD1-NZ 3.4Å |
| 220 | F | 90.7 | Very high | 87.5 | Confident | 128 Ų | 128 | 81.2 Ų | 81.2 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.8 | -37.1 | 173 | -177.3 | -99.9 | 0 | 0 | 0 | 112.4 | E216 F218 F222 L223 K224 | E216-F220 VanDerWaalsContact O-CB 3.26Å; E216-F220 WeakPolarHBondContact O-CB 2.93Å; E216-F220 PolarHBondContact O-N 2.84Å; F218-F220 VanDerWaalsContact C-N 3.32Å; F218-F220 PolarHBondContact O-N 2.86Å; F220-F222 VanDerWaalsContact C-N 3.31Å; F220-F222 PolarHBondContact O-N 3.01Å; F220-L223 PolarHBondContact O-N 3.31Å; F220-K224 HydrophobicContact CE1-CD 4.03Å; F220-K224 HydrophobicContact CZ-CD 4.27Å; F220-K224 WeakPolarHBondContact O-CB 3.38Å; F220-K224 PolarHBondContact O-N 2.84Å; F220-K224 VanDerWaalsContact O-N 3.12Å |
| 221 | F | 86.7 | Confident | 87.1 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 173.8 | 173.7 | -89 | 0 | 0 | 0 | 111.7 | E217 F218 D219 K224 Y225 L226 V279 | E217-F221 PolarHBondContact O-N 3.1Å; F218-F221 WeakPolarHBondContact O-CA 3.37Å; F218-F221 VanDerWaalsContact O-CB 3.29Å; F218-F221 WeakPolarHBondContact O-CB 3.08Å; F218-F221 PolarHBondContact O-N 2.67Å; F218-F221 VanDerWaalsContact O-N 3.07Å; D219-F221 VanDerWaalsContact C-N 3.29Å; D219-F221 PolarHBondContact O-N 3.13Å; F221-K224 PolarHBondContact O-N 2.71Å; F221-Y225 AromaticContact CD2-CD2 3.41Å; F221-Y225 HydrophobicContact CD2-CD2 3.41Å; F221-Y225 VanDerWaalsContact CD2-CD2 3.41Å; F221-Y225 AromaticContact CD2-CE2 3.96Å; F221-Y225 HydrophobicContact CD2-CE2 3.96Å; F221-Y225 HydrophobicContact CD2-CG 4.3Å; F221-Y225 AromaticContact CE2-CD2 3.55Å; F221-Y225 HydrophobicContact CE2-CD2 3.55Å; F221-Y225 HydrophobicContact CE2-CE2 4.25Å; F221-Y225 HydrophobicContact CE2-CG 4.03Å; F221-Y225 HydrophobicContact CG-CD2 4.16Å; F221-Y225 HydrophobicContact CZ-CD2 4.39Å; F221-Y225 PolarHBondContact O-N 3.17Å; F221-L226 HydrophobicContact CD1-CD1 3.91Å; F221-L226 HydrophobicContact CD1-CG 4.43Å; F221-L226 HydrophobicContact CE1-CD1 3.58Å; F221-L226 HydrophobicContact CE1-CD2 4.28Å; F221-L226 HydrophobicContact CE1-CG 3.86Å; F221-V279 HydrophobicContact CE1-CB 4.35Å; F221-V279 HydrophobicContact CE1-CG1 3.96Å; F221-V279 HydrophobicContact CE1-CG2 3.41Å; F221-V279 VanDerWaalsContact CE1-CG2 3.41Å; F221-V279 HydrophobicContact CE2-CG1 4.03Å; F221-V279 HydrophobicContact CZ-CB 4.17Å; F221-V279 HydrophobicContact CZ-CG1 3.35Å; F221-V279 HydrophobicContact CZ-CG2 3.67Å |
| 222 | F | 82.3 | Confident | 86.6 | Confident | 11 Ų | 11 | 87 Ų | 87 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 174.1 | -86.6 | -102.1 | 0 | 0 | 0 | 112.5 | F218 D219 F220 K224 L226 T236 C239 P277 | F218-F222 HydrophobicContact CD1-CD2 4.26Å; F218-F222 HydrophobicContact CD1-CE2 4.27Å; F218-F222 HydrophobicContact CD2-CD2 4.39Å; F218-F222 AromaticContact CD2-CE2 3.91Å; F218-F222 HydrophobicContact CD2-CE2 3.91Å; F218-F222 AromaticContact CE1-CD2 3.92Å; F218-F222 HydrophobicContact CE1-CD2 3.92Å; F218-F222 AromaticContact CE1-CE2 3.64Å; F218-F222 HydrophobicContact CE1-CE2 3.64Å; F218-F222 HydrophobicContact CE1-CZ 4.37Å; F218-F222 HydrophobicContact CE2-CD2 4.11Å; F218-F222 AromaticContact CE2-CE2 3.27Å; F218-F222 HydrophobicContact CE2-CE2 3.27Å; F218-F222 HydrophobicContact CE2-CZ 4.05Å; F218-F222 HydrophobicContact CG-CD2 4.49Å; F218-F222 HydrophobicContact CG-CE2 4.39Å; F218-F222 AromaticContact CZ-CD2 3.86Å; F218-F222 HydrophobicContact CZ-CD2 3.86Å; F218-F222 AromaticContact CZ-CE2 3.1Å; F218-F222 HydrophobicContact CZ-CE2 3.1Å; F218-F222 AromaticContact CZ-CZ 3.66Å; F218-F222 HydrophobicContact CZ-CZ 3.66Å; F218-F222 WeakPolarHBondContact O-CD2 3.34Å; F218-F222 PolarHBondContact O-N 2.96Å; D219-F222 WeakPolarHBondContact O-CB 3.47Å; D219-F222 PolarHBondContact O-N 3.13Å; D219-F222 VanDerWaalsContact O-N 3.11Å; F220-F222 VanDerWaalsContact C-N 3.31Å; F220-F222 PolarHBondContact O-N 3.01Å; F222-K224 PolarHBondContact O-N 2.68Å; F222-L226 HydrophobicContact CB-CD1 4.32Å; F222-L226 HydrophobicContact CD1-CB 4.18Å; F222-L226 HydrophobicContact CD1-CD1 3.36Å; F222-L226 HydrophobicContact CD1-CG 4.41Å; F222-L226 HydrophobicContact CD2-CD1 3.74Å; F222-L226 HydrophobicContact CE1-CD1 3.37Å; F222-L226 HydrophobicContact CE2-CD1 3.65Å; F222-L226 HydrophobicContact CG-CD1 3.57Å; F222-L226 HydrophobicContact CZ-CD1 3.5Å; F222-L226 VanDerWaalsContact CZ-CD1 3.5Å; F222-L226 PolarHBondContact O-N 2.72Å; F222-T236 HydrophobicContact CD1-CG2 3.61Å; F222-T236 HydrophobicContact CE1-CG2 4.08Å; F222-C239 WeakPolarHBondContact CZ-SG 3.34Å; F222-P277 HydrophobicContact CE1-CG 3.77Å; F222-P277 HydrophobicContact CZ-CG 3.66Å |
| 223 | L | 81.8 | Confident | 86.1 | Confident | 132 Ų | 132 | 90.8 Ų | 90.8 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.5 | -32.5 | -179.7 | -68.1 | 174.1 | 0 | 0 | 0 | 112.7 | D219 F220 | D219-L223 PolarHBondContact O-N 3.13Å; D219-L223 VanDerWaalsContact O-N 3.1Å; F220-L223 PolarHBondContact O-N 3.31Å |
| 224 | K | 83.6 | Confident | 85.6 | Confident | 125 Ų | 125 | 87 Ų | 87 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -91.3 | -35.7 | -173.5 | -172.6 | 171.4 | 176.5 | -165.6 | 0 | 114.1 | F220 F221 F222 | F220-K224 HydrophobicContact CE1-CD 4.03Å; F220-K224 HydrophobicContact CZ-CD 4.27Å; F220-K224 WeakPolarHBondContact O-CB 3.38Å; F220-K224 PolarHBondContact O-N 2.84Å; F220-K224 VanDerWaalsContact O-N 3.12Å; F221-K224 PolarHBondContact O-N 2.71Å; F222-K224 PolarHBondContact O-N 2.68Å |
| 225 | Y | 73.1 | Confident | 85.1 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -124.7 | -9 | -164.3 | -59.8 | -71.4 | 0 | 0 | 0 | 115 | F221 | F221-Y225 AromaticContact CD2-CD2 3.41Å; F221-Y225 HydrophobicContact CD2-CD2 3.41Å; F221-Y225 VanDerWaalsContact CD2-CD2 3.41Å; F221-Y225 AromaticContact CD2-CE2 3.96Å; F221-Y225 HydrophobicContact CD2-CE2 3.96Å; F221-Y225 HydrophobicContact CD2-CG 4.3Å; F221-Y225 AromaticContact CE2-CD2 3.55Å; F221-Y225 HydrophobicContact CE2-CD2 3.55Å; F221-Y225 HydrophobicContact CE2-CE2 4.25Å; F221-Y225 HydrophobicContact CE2-CG 4.03Å; F221-Y225 HydrophobicContact CG-CD2 4.16Å; F221-Y225 HydrophobicContact CZ-CD2 4.39Å; F221-Y225 PolarHBondContact O-N 3.17Å |
| 226 | L | 76.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | trans | -114.9 | 135.5 | -172.4 | -65.2 | 173.1 | 0 | 0 | 0 | 112.1 | F221 F222 P277 | F221-L226 HydrophobicContact CD1-CD1 3.91Å; F221-L226 HydrophobicContact CD1-CG 4.43Å; F221-L226 HydrophobicContact CE1-CD1 3.58Å; F221-L226 HydrophobicContact CE1-CD2 4.28Å; F221-L226 HydrophobicContact CE1-CG 3.86Å; F222-L226 HydrophobicContact CB-CD1 4.32Å; F222-L226 HydrophobicContact CD1-CB 4.18Å; F222-L226 HydrophobicContact CD1-CD1 3.36Å; F222-L226 HydrophobicContact CD1-CG 4.41Å; F222-L226 HydrophobicContact CD2-CD1 3.74Å; F222-L226 HydrophobicContact CE1-CD1 3.37Å; F222-L226 HydrophobicContact CE2-CD1 3.65Å; F222-L226 HydrophobicContact CG-CD1 3.57Å; F222-L226 HydrophobicContact CZ-CD1 3.5Å; F222-L226 VanDerWaalsContact CZ-CD1 3.5Å; F222-L226 PolarHBondContact O-N 2.72Å; L226-P277 HydrophobicContact CD1-CB 4.39Å; L226-P277 HydrophobicContact CD1-CG 3.43Å; L226-P277 VanDerWaalsContact CD1-CG 3.43Å; L226-P277 HydrophobicContact CD2-CB 3.97Å; L226-P277 HydrophobicContact CD2-CG 3.91Å; L226-P277 HydrophobicContact CG-CG 4.29Å | ||
| 227 | S | 66.8 | Low | 84.3 | Confident | 83 Ų | 83 | 90 Ų | 90 | 58% | 0.58 | 44% | 0.439 | S | S | * | . | trans | -89 | 152.2 | 171.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | D229 | S227-D229 PolarHBondContact O-N 3.42Å; S227-D229 VanDerWaalsContact O-N 3.11Å | ||
| 228 | E | 67.9 | Low | 84.1 | Confident | 160 Ų | 160 | 87.1 Ų | 87.1 | 75% | 0.748 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.5 | -179.5 | -63.5 | -172.8 | 169.8 | 0 | 0 | 113.3 | ||
| 229 | D | 78.5 | Confident | 84.1 | Confident | 144 Ų | 144 | 85.8 Ų | 85.8 | 77% | 0.77 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 41.7 | -169.1 | -62.2 | -35.3 | 0 | 0 | 0 | 114.7 | S227 S231 | S227-D229 PolarHBondContact O-N 3.42Å; S227-D229 VanDerWaalsContact O-N 3.11Å; D229-S231 VanDerWaalsContact C-N 3.35Å |
| 230 | Y | 86.6 | Confident | 84.1 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 25% | 0.247 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -76.8 | -19.5 | 179.2 | 69.8 | -90.4 | 0 | 0 | 0 | 114 | H235 M275 P277 | Y230-H235 VanDerWaalsContact OH-C 3.29Å; Y230-H235 PolarHBondContact OH-O 3.45Å; Y230-M275 WeakPolarHBondContact CE2-O 3.3Å; Y230-M275 PolarHBondContact OH-O 3.02Å; Y230-P277 HydrophobicContact CD1-CB 4.17Å; Y230-P277 HydrophobicContact CD1-CG 4.35Å; Y230-P277 HydrophobicContact CD2-CB 3.63Å; Y230-P277 HydrophobicContact CD2-CG 4.34Å; Y230-P277 HydrophobicContact CE1-CG 4.48Å; Y230-P277 HydrophobicContact CE2-CB 4.15Å; Y230-P277 HydrophobicContact CE2-CG 4.45Å; Y230-P277 HydrophobicContact CG-CB 3.65Å; Y230-P277 HydrophobicContact CG-CG 4.3Å |
| 231 | S | 89 | Confident | 84.3 | Confident | 46 Ų | 46 | 81 Ų | 81 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | trans | -142.3 | 146.9 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | D229 R233 S234 | D229-S231 VanDerWaalsContact C-N 3.35Å; S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact OG-N 3.21Å; S231-R233 VanDerWaalsContact OG-N 3.11Å; S231-S234 PolarHBondContact OG-N 2.94Å; S231-S234 VanDerWaalsContact OG-N 3.09Å | ||
| 232 | V | 88.9 | Confident | 84.7 | Confident | 152 Ų | 152 | 78.1 Ų | 78.1 | 92% | 0.921 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -79.6 | -17.5 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 233 | R | 86.4 | Confident | 85.4 | Confident | 150 Ų | 150 | 78.5 Ų | 78.5 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -114.5 | -28.4 | -171.1 | -64.9 | -175.1 | 72.9 | -176.2 | -0.9 | 113.6 | S231 P333 | S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact OG-N 3.21Å; S231-R233 VanDerWaalsContact OG-N 3.11Å; R233-P333 HydrophobicContact CB-CB 3.55Å; R233-P333 HydrophobicContact CG-CB 4.46Å; R233-P333 PolarHBondContact NE-O 3.45Å; R233-P333 PolarHBondContact NH2-O 3.46Å; R233-P333 WeakPolarHBondContact O-CA 3.45Å; R233-P333 WeakPolarHBondContact O-CB 3.34Å |
| 234 | S | 87.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.049 | 37% | 0.371 | C | S | . | . | trans | -119.1 | 138.7 | -170.4 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | S231 M275 | S231-S234 PolarHBondContact OG-N 2.94Å; S231-S234 VanDerWaalsContact OG-N 3.09Å; S234-M275 VanDerWaalsContact CB-O 3.3Å; S234-M275 WeakPolarHBondContact CB-O 3.26Å | ||
| 235 | H | 87.5 | Confident | 86.7 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | trans | -103.7 | 165.3 | 176.2 | -51.9 | 86.5 | 0 | 0 | 0 | 111.2 | Y230 E237 D238 C239 | Y230-H235 VanDerWaalsContact OH-C 3.29Å; Y230-H235 PolarHBondContact OH-O 3.45Å; H235-E237 VanDerWaalsContact C-N 3.31Å; H235-E237 PolarHBondContact O-N 3.39Å; H235-D238 WeakPolarHBondContact CB-OD2 3.12Å; H235-D238 IonicContact CG-OD2 2.65Å; H235-D238 PolarHBondContact N-OD2 3.23Å; H235-D238 IonicContact ND1-OD2 2.77Å; H235-D238 PolarHBondContact ND1-OD2 2.82Å; H235-D238 PolarHBondContact O-N 3.45Å; H235-C239 PolarHBondContact O-N 3.37Å | ||
| 236 | T | 88.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | F222 D238 C239 K240 | F222-T236 HydrophobicContact CD1-CG2 3.61Å; F222-T236 HydrophobicContact CE1-CG2 4.08Å; T236-D238 VanDerWaalsContact C-N 3.33Å; T236-D238 PolarHBondContact O-N 3.05Å; T236-C239 PolarHBondContact O-N 2.88Å; T236-K240 HydrophobicContact CG2-CD 4.15Å; T236-K240 HydrophobicContact CG2-CG 4.41Å; T236-K240 WeakPolarHBondContact O-CB 3.35Å; T236-K240 WeakPolarHBondContact O-CG 3.49Å; T236-K240 PolarHBondContact O-N 3.44Å |
| 237 | E | 88.7 | Confident | 88.8 | Confident | 123 Ų | 123 | 62 Ų | 62 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | -179.8 | -60.4 | -51.6 | 133.5 | 0 | 0 | 112.5 | H235 K240 S241 | H235-E237 VanDerWaalsContact C-N 3.31Å; H235-E237 PolarHBondContact O-N 3.39Å; E237-K240 PolarHBondContact O-N 3.08Å; E237-S241 WeakPolarHBondContact O-CB 3.01Å; E237-S241 PolarHBondContact O-N 2.92Å |
| 238 | D | 90 | Very high | 90.3 | Very high | 48 Ų | 48 | 58 Ų | 58 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.4 | -57 | -37.9 | 0 | 0 | 0 | 110.1 | H235 T236 S241 V242 M275 | H235-D238 WeakPolarHBondContact CB-OD2 3.12Å; H235-D238 IonicContact CG-OD2 2.65Å; H235-D238 PolarHBondContact N-OD2 3.23Å; H235-D238 IonicContact ND1-OD2 2.77Å; H235-D238 PolarHBondContact ND1-OD2 2.82Å; H235-D238 PolarHBondContact O-N 3.45Å; T236-D238 VanDerWaalsContact C-N 3.33Å; T236-D238 PolarHBondContact O-N 3.05Å; D238-S241 PolarHBondContact O-N 2.85Å; D238-V242 WeakPolarHBondContact O-CG2 3.44Å; D238-V242 PolarHBondContact O-N 3.03Å; D238-V242 VanDerWaalsContact O-N 3.08Å; D238-M275 HydrophobicContact CB-CE 3.56Å |
| 239 | C | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.3 | 165.7 | 0 | 0 | 0 | 0 | 112 | F222 H235 T236 S241 V242 Y243 C276 | F222-C239 WeakPolarHBondContact CZ-SG 3.34Å; H235-C239 PolarHBondContact O-N 3.37Å; T236-C239 PolarHBondContact O-N 2.88Å; C239-S241 VanDerWaalsContact C-N 3.32Å; C239-S241 PolarHBondContact O-N 3.32Å; C239-V242 WeakPolarHBondContact O-CG2 3.26Å; C239-V242 PolarHBondContact O-N 3.05Å; C239-Y243 VanDerWaalsContact O-CB 3.23Å; C239-Y243 WeakPolarHBondContact O-CB 3.45Å; C239-Y243 PolarHBondContact O-N 3.41Å; C239-C276 VanDerWaalsContact CA-SG 3.53Å; C239-C276 HydrophobicContact CB-CB 4.01Å; C239-C276 WeakPolarHBondContact CB-SG 3.23Å; C239-C276 WeakPolarHBondContact SG-CA 3.1Å; C239-C276 WeakPolarHBondContact SG-CB 3.39Å; C239-C276 CovalentContact SG-SG 2.03Å; C239-C276 PolarHBondContact SG-SG 3.34Å |
| 240 | K | 93.3 | Very high | 92.4 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 10% | 0.104 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 177 | -78.8 | -178.3 | -176 | -168.5 | 0 | 112 | Y215 F218 D219 T236 E237 Y243 K244 | Y215-K240 WeakPolarHBondContact OH-CB 3.36Å; F218-K240 HydrophobicContact CE1-CG 4.16Å; D219-K240 WeakPolarHBondContact OD1-CE 3.46Å; D219-K240 IonicContact OD1-NZ 3.74Å; D219-K240 PolarHBondContact OD1-NZ 3.4Å; T236-K240 HydrophobicContact CG2-CD 4.15Å; T236-K240 HydrophobicContact CG2-CG 4.41Å; T236-K240 WeakPolarHBondContact O-CB 3.35Å; T236-K240 WeakPolarHBondContact O-CG 3.49Å; T236-K240 PolarHBondContact O-N 3.44Å; E237-K240 PolarHBondContact O-N 3.08Å; K240-Y243 PolarHBondContact O-N 3.33Å; K240-K244 WeakPolarHBondContact O-CB 3.42Å; K240-K244 PolarHBondContact O-N 3.02Å |
| 241 | S | 93.7 | Very high | 92.8 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 112 | E237 D238 C239 K244 A245 | E237-S241 WeakPolarHBondContact O-CB 3.01Å; E237-S241 PolarHBondContact O-N 2.92Å; D238-S241 PolarHBondContact O-N 2.85Å; C239-S241 VanDerWaalsContact C-N 3.32Å; C239-S241 PolarHBondContact O-N 3.32Å; S241-K244 PolarHBondContact O-N 3.49Å; S241-A245 PolarHBondContact O-N 3.08Å |
| 242 | V | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.1 | -30.4 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 113 | D238 C239 A245 W246 Y268 E271 V272 M275 V314 R315 | D238-V242 WeakPolarHBondContact O-CG2 3.44Å; D238-V242 PolarHBondContact O-N 3.03Å; D238-V242 VanDerWaalsContact O-N 3.08Å; C239-V242 WeakPolarHBondContact O-CG2 3.26Å; C239-V242 PolarHBondContact O-N 3.05Å; V242-A245 PolarHBondContact O-N 3.29Å; V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.35Å; V242-Y268 HydrophobicContact CB-CD1 4.47Å; V242-E271 HydrophobicContact CB-CB 4.23Å; V242-E271 HydrophobicContact CG1-CB 4.22Å; V242-V272 HydrophobicContact CB-CG2 4.45Å; V242-V272 HydrophobicContact CG2-CG2 4.08Å; V242-M275 HydrophobicContact CB-SD 4.39Å; V242-M275 HydrophobicContact CG1-CE 3.54Å; V242-M275 HydrophobicContact CG1-SD 3.59Å; V242-M275 VanDerWaalsContact CG1-SD 3.59Å; V242-M275 HydrophobicContact CG2-CB 4.03Å; V242-M275 HydrophobicContact CG2-CE 4.2Å; V242-M275 HydrophobicContact CG2-SD 4.06Å; V242-V314 HydrophobicContact CG1-CG2 4.26Å; V242-R315 HydrophobicContact CG1-CG 4.44Å |
| 243 | Y | 96.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 8% | 0.078 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 173.5 | -174 | -93.3 | 0 | 0 | 0 | 111.6 | Y215 F218 C239 K240 A245 W246 L247 V272 F294 | Y215-Y243 AromaticContact CD2-CD1 3.9Å; Y215-Y243 HydrophobicContact CD2-CD1 3.9Å; Y215-Y243 HydrophobicContact CD2-CE1 4.36Å; Y215-Y243 HydrophobicContact CE2-CD1 4.23Å; F218-Y243 HydrophobicContact CB-CD1 4.16Å; F218-Y243 HydrophobicContact CB-CE1 3.49Å; F218-Y243 VanDerWaalsContact CB-CE1 3.49Å; F218-Y243 AromaticContact CD1-CD1 3.41Å; F218-Y243 HydrophobicContact CD1-CD1 3.41Å; F218-Y243 VanDerWaalsContact CD1-CD1 3.41Å; F218-Y243 AromaticContact CD1-CE1 3.69Å; F218-Y243 HydrophobicContact CD1-CE1 3.69Å; F218-Y243 HydrophobicContact CD1-CG 4.02Å; F218-Y243 AromaticContact CD2-CD1 3.76Å; F218-Y243 HydrophobicContact CD2-CD1 3.76Å; F218-Y243 AromaticContact CD2-CD2 3.86Å; F218-Y243 HydrophobicContact CD2-CD2 3.86Å; F218-Y243 AromaticContact CD2-CE1 3.56Å; F218-Y243 HydrophobicContact CD2-CE1 3.56Å; F218-Y243 AromaticContact CD2-CE2 3.65Å; F218-Y243 HydrophobicContact CD2-CE2 3.65Å; F218-Y243 AromaticContact CD2-CG 3.91Å; F218-Y243 HydrophobicContact CD2-CG 3.91Å; F218-Y243 AromaticContact CD2-CZ 3.5Å; F218-Y243 VanDerWaalsContact CD2-CZ 3.5Å; F218-Y243 AromaticContact CE1-CD1 3.55Å; F218-Y243 HydrophobicContact CE1-CD1 3.55Å; F218-Y243 HydrophobicContact CE1-CD2 4.49Å; F218-Y243 HydrophobicContact CE1-CE1 4.24Å; F218-Y243 AromaticContact CE1-CG 3.7Å; F218-Y243 HydrophobicContact CE1-CG 3.7Å; F218-Y243 AromaticContact CE2-CD1 3.84Å; F218-Y243 HydrophobicContact CE2-CD1 3.84Å; F218-Y243 AromaticContact CE2-CD2 3.47Å; F218-Y243 HydrophobicContact CE2-CD2 3.47Å; F218-Y243 VanDerWaalsContact CE2-CD2 3.47Å; F218-Y243 HydrophobicContact CE2-CE1 4.09Å; F218-Y243 AromaticContact CE2-CE2 3.73Å; F218-Y243 HydrophobicContact CE2-CE2 3.73Å; F218-Y243 AromaticContact CE2-CG 3.53Å; F218-Y243 HydrophobicContact CE2-CG 3.53Å; F218-Y243 AromaticContact CG-CD1 3.52Å; F218-Y243 HydrophobicContact CG-CD1 3.52Å; F218-Y243 HydrophobicContact CG-CD2 4.47Å; F218-Y243 AromaticContact CG-CE1 3.31Å; F218-Y243 HydrophobicContact CG-CE1 3.31Å; F218-Y243 HydrophobicContact CG-CE2 4.29Å; F218-Y243 HydrophobicContact CG-CG 4.11Å; F218-Y243 AromaticContact CG-CZ 3.73Å; F218-Y243 AromaticContact CZ-CD1 3.75Å; F218-Y243 HydrophobicContact CZ-CD1 3.75Å; F218-Y243 AromaticContact CZ-CD2 3.84Å; F218-Y243 HydrophobicContact CZ-CD2 3.84Å; F218-Y243 HydrophobicContact CZ-CE1 4.41Å; F218-Y243 HydrophobicContact CZ-CE2 4.48Å; F218-Y243 AromaticContact CZ-CG 3.42Å; F218-Y243 HydrophobicContact CZ-CG 3.42Å; F218-Y243 VanDerWaalsContact CZ-CG 3.42Å; C239-Y243 VanDerWaalsContact O-CB 3.23Å; C239-Y243 WeakPolarHBondContact O-CB 3.45Å; C239-Y243 PolarHBondContact O-N 3.41Å; K240-Y243 PolarHBondContact O-N 3.33Å; Y243-A245 VanDerWaalsContact C-N 3.34Å; Y243-A245 PolarHBondContact O-N 3.38Å; Y243-W246 AromaticContact CD2-CE3 3.97Å; Y243-W246 HydrophobicContact CD2-CE3 3.97Å; Y243-W246 HydrophobicContact CD2-CZ3 4.31Å; Y243-W246 AromaticContact CE2-CE3 3.75Å; Y243-W246 HydrophobicContact CE2-CE3 3.75Å; Y243-W246 AromaticContact CE2-CZ3 3.61Å; Y243-W246 HydrophobicContact CE2-CZ3 3.61Å; Y243-W246 AromaticContact CZ-CZ3 3.84Å; Y243-W246 PolarHBondContact O-N 3.42Å; Y243-L247 HydrophobicContact CE1-CD2 4.21Å; Y243-L247 VanDerWaalsContact O-CB 3.25Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 PolarHBondContact O-N 2.91Å; Y243-V272 HydrophobicContact CD2-CG1 4.06Å; Y243-V272 HydrophobicContact CD2-CG2 4.4Å; Y243-F294 HydrophobicContact CD2-CE2 4.45Å; Y243-F294 HydrophobicContact CE2-CD2 4.28Å; Y243-F294 HydrophobicContact CE2-CE2 4.09Å |
| 244 | K | 97.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 22% | 0.222 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -47.9 | 172.5 | -175 | -173.8 | -178 | -160.7 | 0 | 110.8 | F156 D158 Y215 K240 S241 L247 C248 | F156-K244 HydrophobicContact CE1-CG 4.22Å; F156-K244 HydrophobicContact CE2-CD 4.33Å; F156-K244 HydrophobicContact CE2-CG 4.35Å; F156-K244 HydrophobicContact CZ-CD 4.21Å; F156-K244 HydrophobicContact CZ-CG 3.74Å; F156-K244 WeakPolarHBondContact O-CE 3.39Å; F156-K244 PolarHBondContact O-NZ 3.45Å; D158-K244 IonicContact OD1-NZ 3.85Å; D158-K244 PolarHBondContact OD1-NZ 3.38Å; Y215-K244 HydrophobicContact CD2-CB 4.06Å; Y215-K244 HydrophobicContact CD2-CG 4.48Å; Y215-K244 HydrophobicContact CE2-CB 3.77Å; Y215-K244 HydrophobicContact CE2-CG 4.46Å; K240-K244 WeakPolarHBondContact O-CB 3.42Å; K240-K244 PolarHBondContact O-N 3.02Å; S241-K244 PolarHBondContact O-N 3.49Å; K244-L247 PolarHBondContact O-N 3.04Å; K244-C248 WeakPolarHBondContact O-CB 3.34Å; K244-C248 PolarHBondContact O-N 3.41Å; K244-C248 PolarHBondContact O-SG 2.77Å; K244-C248 VanDerWaalsContact O-SG 3.33Å |
| 245 | A | 96.8 | Very high | 94 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S241 V242 Y243 S249 Y268 V314 | S241-A245 PolarHBondContact O-N 3.08Å; V242-A245 PolarHBondContact O-N 3.29Å; Y243-A245 VanDerWaalsContact C-N 3.34Å; Y243-A245 PolarHBondContact O-N 3.38Å; A245-S249 PolarHBondContact O-N 3.45Å; A245-S249 VanDerWaalsContact O-N 3.08Å; A245-Y268 HydrophobicContact CB-CD1 3.84Å; A245-Y268 HydrophobicContact CB-CD2 4.12Å; A245-Y268 HydrophobicContact CB-CE1 3.61Å; A245-Y268 HydrophobicContact CB-CE2 3.87Å; A245-Y268 HydrophobicContact CB-CG 4.1Å; A245-V314 HydrophobicContact CB-CG1 3.99Å; A245-V314 HydrophobicContact CB-CG2 4.04Å |
| 246 | W | 96.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -52.8 | 172.8 | 171.3 | 66.7 | 0 | 0 | 0 | 111.1 | V242 Y243 C248 S249 E250 V272 F294 | V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.35Å; Y243-W246 AromaticContact CD2-CE3 3.97Å; Y243-W246 HydrophobicContact CD2-CE3 3.97Å; Y243-W246 HydrophobicContact CD2-CZ3 4.31Å; Y243-W246 AromaticContact CE2-CE3 3.75Å; Y243-W246 HydrophobicContact CE2-CE3 3.75Å; Y243-W246 AromaticContact CE2-CZ3 3.61Å; Y243-W246 HydrophobicContact CE2-CZ3 3.61Å; Y243-W246 AromaticContact CZ-CZ3 3.84Å; Y243-W246 PolarHBondContact O-N 3.42Å; W246-C248 PolarHBondContact O-N 2.9Å; W246-S249 WeakPolarHBondContact O-CA 3.49Å; W246-S249 PolarHBondContact O-N 2.92Å; W246-S249 PolarHBondContact O-OG 3.27Å; W246-E250 HydrophobicContact CD2-CG 4.19Å; W246-E250 HydrophobicContact CH2-CG 4.35Å; W246-E250 HydrophobicContact CZ2-CG 3.67Å; W246-E250 PolarHBondContact NE1-OE1 3.27Å; W246-E250 VanDerWaalsContact NE1-OE1 3.08Å; W246-E250 PolarHBondContact O-N 3.06Å; W246-V272 HydrophobicContact CB-CG2 3.77Å; W246-V272 HydrophobicContact CG-CG2 4.21Å; W246-F294 AromaticContact CD2-CE2 3.88Å; W246-F294 HydrophobicContact CD2-CE2 3.88Å; W246-F294 AromaticContact CD2-CZ 3.7Å; W246-F294 HydrophobicContact CD2-CZ 3.7Å; W246-F294 AromaticContact CE2-CE2 3.87Å; W246-F294 AromaticContact CE2-CZ 3.6Å; W246-F294 AromaticContact CE3-CE2 3.74Å; W246-F294 HydrophobicContact CE3-CE2 3.74Å; W246-F294 HydrophobicContact CE3-CZ 4.05Å; W246-F294 HydrophobicContact CG-CZ 4.24Å; W246-F294 AromaticContact CH2-CE2 3.6Å; W246-F294 HydrophobicContact CH2-CE2 3.6Å; W246-F294 HydrophobicContact CH2-CZ 4.2Å; W246-F294 AromaticContact CZ2-CE2 3.72Å; W246-F294 HydrophobicContact CZ2-CE2 3.72Å; W246-F294 AromaticContact CZ2-CZ 3.85Å; W246-F294 HydrophobicContact CZ2-CZ 3.85Å; W246-F294 AromaticContact CZ3-CE2 3.62Å; W246-F294 HydrophobicContact CZ3-CE2 3.62Å; W246-F294 HydrophobicContact CZ3-CZ 4.3Å |
| 247 | L | 97.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | -177 | -173.7 | 66.6 | 0 | 0 | 0 | 111.5 | A211 K214 Y243 K244 S249 E250 Y251 | A211-L247 WeakPolarHBondContact O-CD2 3.4Å; K214-L247 HydrophobicContact CB-CD1 4.25Å; K214-L247 HydrophobicContact CB-CD2 4.05Å; Y243-L247 HydrophobicContact CE1-CD2 4.21Å; Y243-L247 VanDerWaalsContact O-CB 3.25Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 PolarHBondContact O-N 2.91Å; K244-L247 PolarHBondContact O-N 3.04Å; L247-S249 VanDerWaalsContact C-N 3.26Å; L247-S249 PolarHBondContact O-N 3.35Å; L247-E250 WeakPolarHBondContact O-CB 3.43Å; L247-E250 PolarHBondContact O-N 3.42Å; L247-E250 VanDerWaalsContact O-N 3.13Å; L247-Y251 HydrophobicContact CD1-CD2 4.22Å; L247-Y251 HydrophobicContact CD1-CE2 3.87Å; L247-Y251 HydrophobicContact CG-CD2 4.32Å; L247-Y251 HydrophobicContact CG-CE2 4.26Å; L247-Y251 WeakPolarHBondContact O-CD2 3.4Å; L247-Y251 PolarHBondContact O-N 3.48Å; L247-Y251 VanDerWaalsContact O-N 3.16Å |
| 248 | C | 97.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -37.5 | 175.5 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | C157 Y160 K244 W246 E250 Y251 F252 | C157-C248 WeakPolarHBondContact CA-SG 3.43Å; C157-C248 HydrophobicContact CB-CB 3.8Å; C157-C248 WeakPolarHBondContact CB-SG 3.45Å; C157-C248 VanDerWaalsContact SG-CA 3.54Å; C157-C248 WeakPolarHBondContact SG-CB 3.05Å; C157-C248 CovalentContact SG-SG 2.04Å; C157-C248 PolarHBondContact SG-SG 2.04Å; Y160-C248 HydrophobicContact CD2-CB 4.44Å; Y160-C248 HydrophobicContact CE2-CB 3.91Å; K244-C248 WeakPolarHBondContact O-CB 3.34Å; K244-C248 PolarHBondContact O-N 3.41Å; K244-C248 PolarHBondContact O-SG 2.77Å; K244-C248 VanDerWaalsContact O-SG 3.33Å; W246-C248 PolarHBondContact O-N 2.9Å; C248-E250 VanDerWaalsContact C-N 3.34Å; C248-E250 PolarHBondContact O-N 3.45Å; C248-Y251 PolarHBondContact O-N 3.33Å; C248-F252 WeakPolarHBondContact O-CB 3.47Å; C248-F252 WeakPolarHBondContact O-CD2 3.31Å; C248-F252 PolarHBondContact O-N 2.92Å |
| 249 | S | 95.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -25.6 | 177 | 74.4 | 0 | 0 | 0 | 0 | 114.4 | Y160 A245 W246 L247 F252 | Y160-S249 WeakPolarHBondContact OH-CA 3.25Å; A245-S249 PolarHBondContact O-N 3.45Å; A245-S249 VanDerWaalsContact O-N 3.08Å; W246-S249 WeakPolarHBondContact O-CA 3.49Å; W246-S249 PolarHBondContact O-N 2.92Å; W246-S249 PolarHBondContact O-OG 3.27Å; L247-S249 VanDerWaalsContact C-N 3.26Å; L247-S249 PolarHBondContact O-N 3.35Å; S249-F252 CarbonylContact O-C 3.58Å |
| 250 | E | 94.4 | Very high | 93.2 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -72.2 | -36.8 | 171.9 | -66.2 | -67.4 | 136.2 | 0 | 0 | 111.5 | W246 L247 C248 | W246-E250 HydrophobicContact CD2-CG 4.19Å; W246-E250 HydrophobicContact CH2-CG 4.35Å; W246-E250 HydrophobicContact CZ2-CG 3.67Å; W246-E250 PolarHBondContact NE1-OE1 3.27Å; W246-E250 VanDerWaalsContact NE1-OE1 3.08Å; W246-E250 PolarHBondContact O-N 3.06Å; L247-E250 WeakPolarHBondContact O-CB 3.43Å; L247-E250 PolarHBondContact O-N 3.42Å; L247-E250 VanDerWaalsContact O-N 3.13Å; C248-E250 VanDerWaalsContact C-N 3.34Å; C248-E250 PolarHBondContact O-N 3.45Å |
| 251 | Y | 96 | Very high | 92.9 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77 | -33.9 | 175.9 | -84.1 | -96 | 0 | 0 | 0 | 112.7 | M169 L207 H210 A211 K214 L247 C248 | M169-Y251 WeakPolarHBondContact CE-O 3.49Å; L207-Y251 HydrophobicContact CB-CD1 4.34Å; L207-Y251 HydrophobicContact CD2-CD1 4.25Å; L207-Y251 WeakPolarHBondContact O-CD1 3.49Å; H210-Y251 HydrophobicContact CB-CE1 3.57Å; H210-Y251 PolarHBondContact O-OH 3.42Å; A211-Y251 HydrophobicContact CB-CD1 4.29Å; A211-Y251 HydrophobicContact CB-CD2 3.74Å; A211-Y251 HydrophobicContact CB-CE1 4.48Å; A211-Y251 HydrophobicContact CB-CE2 3.95Å; A211-Y251 HydrophobicContact CB-CG 3.91Å; K214-Y251 WeakPolarHBondContact CG-OH 3.44Å; L247-Y251 HydrophobicContact CD1-CD2 4.22Å; L247-Y251 HydrophobicContact CD1-CE2 3.87Å; L247-Y251 HydrophobicContact CG-CD2 4.32Å; L247-Y251 HydrophobicContact CG-CE2 4.26Å; L247-Y251 WeakPolarHBondContact O-CD2 3.4Å; L247-Y251 PolarHBondContact O-N 3.48Å; L247-Y251 VanDerWaalsContact O-N 3.16Å; C248-Y251 PolarHBondContact O-N 3.33Å |
| 252 | F | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -124.9 | 92.1 | -173.4 | -56.6 | -67.9 | 0 | 0 | 0 | 112 | L154 C157 Y160 L165 M169 Y204 L207 D208 C248 S249 A254 | L154-F252 HydrophobicContact CD1-CD2 4.18Å; L154-F252 HydrophobicContact CD1-CE1 3.92Å; L154-F252 HydrophobicContact CD1-CE2 3.48Å; L154-F252 VanDerWaalsContact CD1-CE2 3.48Å; L154-F252 HydrophobicContact CD1-CZ 3.32Å; C157-F252 HydrophobicContact CB-CD2 4.17Å; C157-F252 HydrophobicContact CB-CE2 3.86Å; Y160-F252 HydrophobicContact CD1-CB 4Å; Y160-F252 HydrophobicContact CD2-CD2 4.34Å; Y160-F252 HydrophobicContact CE1-CB 3.69Å; Y160-F252 HydrophobicContact CE2-CB 4.24Å; Y160-F252 HydrophobicContact CE2-CD2 4.48Å; Y160-F252 HydrophobicContact CG-CB 4.39Å; Y160-F252 PolarHBondContact OH-O 3.5Å; Y160-F252 VanDerWaalsContact OH-O 3.13Å; L165-F252 HydrophobicContact CD1-CD1 4.4Å; L165-F252 HydrophobicContact CD1-CE1 4.34Å; L165-F252 HydrophobicContact CD2-CB 3.9Å; L165-F252 HydrophobicContact CD2-CD1 3.51Å; L165-F252 HydrophobicContact CD2-CE1 4.26Å; L165-F252 HydrophobicContact CD2-CG 3.85Å; M169-F252 HydrophobicContact SD-CD1 4.09Å; Y204-F252 HydrophobicContact CD1-CE1 4.32Å; L207-F252 HydrophobicContact CB-CE1 3.79Å; L207-F252 HydrophobicContact CB-CZ 3.78Å; L207-F252 HydrophobicContact CD1-CE1 4.13Å; D208-F252 HydrophobicContact CB-CZ 4.32Å; C248-F252 WeakPolarHBondContact O-CB 3.47Å; C248-F252 WeakPolarHBondContact O-CD2 3.31Å; C248-F252 PolarHBondContact O-N 2.92Å; S249-F252 CarbonylContact O-C 3.58Å; F252-A254 PolarHBondContact O-N 3.4Å | ||
| 253 | N | 92.4 | Very high | 92.6 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 54% | 0.54 | 23% | 0.23 | S | C | . | . | trans | -72.7 | 67.3 | 168.3 | -172.7 | 19.2 | 0 | 0 | 0 | 111.6 | M169 P309 | M169-N253 HydrophobicContact CE-CB 3.91Å; N253-P309 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 254 | A | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -138.7 | 152.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y160 L165 F252 | Y160-A254 HydrophobicContact CD1-CB 4.4Å; Y160-A254 HydrophobicContact CE1-CB 4.16Å; Y160-A254 WeakPolarHBondContact CE1-O 3.46Å; L165-A254 HydrophobicContact CD2-CB 4.24Å; F252-A254 PolarHBondContact O-N 3.4Å |
| 255 | T | 93.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | trans | -82.6 | 131.1 | 175 | -66.3 | 0 | 0 | 0 | 0 | 110.1 | D164 P309 E310 | D164-T255 WeakPolarHBondContact CB-O 3.34Å; T255-P309 WeakPolarHBondContact OG1-CA 2.99Å; T255-E310 CarbonylContact C-O 3.28Å; T255-E310 WeakPolarHBondContact CA-O 3.45Å; T255-E310 HydrophobicContact CG2-CB 4.04Å; T255-E310 PolarHBondContact OG1-N 2.97Å | ||
| 256 | Q | 93.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | trans | -81 | 127 | 178 | -61.9 | 178.8 | -4.8 | 0 | 0 | 110.3 | S159 Y160 R262 E310 C312 | S159-Q256 PolarHBondContact OG-NE2 2.94Å; Y160-Q256 HydrophobicContact CD1-CG 4.07Å; Y160-Q256 HydrophobicContact CE1-CG 3.82Å; Y160-Q256 HydrophobicContact CE2-CG 4.36Å; Y160-Q256 HydrophobicContact CG-CG 4.45Å; Q256-R262 VanDerWaalsContact O-CZ 3.25Å; Q256-R262 PolarHBondContact O-NH2 3.41Å; Q256-R262 VanDerWaalsContact O-NH2 3.15Å; Q256-E310 PolarHBondContact N-O 2.93Å; Q256-C312 PolarHBondContact OE1-SG 3.32Å | ||
| 257 | S | 85.1 | Confident | 91.7 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | trans | -87.9 | -32 | -177.3 | 61 | 0 | 0 | 0 | 0 | 113.9 | D164 C259 R262 | D164-S257 WeakPolarHBondContact OD1-CB 3.44Å; D164-S257 PolarHBondContact OD1-N 2.86Å; D164-S257 PolarHBondContact OD1-OG 2.83Å; S257-C259 VanDerWaalsContact C-N 3.35Å; S257-C259 PolarHBondContact O-N 3.01Å; S257-C259 VanDerWaalsContact O-N 3.11Å; S257-R262 PolarHBondContact O-NH2 3.26Å | ||
| 258 | Q | 83.6 | Confident | 91.5 | Very high | 111 Ų | 111 | 50.8 Ų | 50.8 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -90.3 | 54.8 | -169.7 | -58.4 | -167.6 | 8.3 | 0 | 0 | 114 | R150 T161 | R150-Q258 PolarHBondContact O-NE2 3.04Å; T161-Q258 HydrophobicContact CG2-CG 4.35Å |
| 259 | C | 85.6 | Confident | 91.3 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -132.8 | 140.4 | -176.9 | -34.1 | 0 | 0 | 0 | 0 | 112.1 | S257 R262 C312 | S257-C259 VanDerWaalsContact C-N 3.35Å; S257-C259 PolarHBondContact O-N 3.01Å; S257-C259 VanDerWaalsContact O-N 3.11Å; C259-R262 HydrophobicContact CB-CG 3.89Å; C259-C312 HydrophobicContact CB-CB 3.72Å; C259-C312 WeakPolarHBondContact CB-SG 3.38Å; C259-C312 WeakPolarHBondContact SG-CA 2.99Å; C259-C312 WeakPolarHBondContact SG-CB 3.36Å; C259-C312 PolarHBondContact SG-N 3.07Å; C259-C312 VanDerWaalsContact SG-N 3.38Å; C259-C312 CovalentContact SG-SG 2.01Å; C259-C312 PolarHBondContact SG-SG 2.91Å | ||
| 260 | Q | 83.3 | Confident | 91.2 | Very high | 141 Ų | 141 | 53.6 Ų | 53.6 | 66% | 0.659 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -83.1 | -40.7 | 165.9 | -65.3 | -174.9 | 6.2 | 0 | 0 | 111.9 | P321 | Q260-P321 VanDerWaalsContact NE2-CG 3.34Š|
| 261 | H | 86.9 | Confident | 91.1 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -113.1 | 130.1 | 178.9 | -68.2 | -70.2 | 0 | 0 | 0 | 109.7 | C312 D313 W316 | H261-C312 WeakPolarHBondContact O-CA 3.26Å; H261-D313 HydrophobicContact CB-CB 4.24Å; H261-D313 PolarHBondContact O-N 3.21Å; H261-W316 HydrophobicContact CB-CB 4.4Å; H261-W316 HydrophobicContact CB-CD2 4.36Å; H261-W316 HydrophobicContact CB-CG 4.1Å; H261-W316 AromaticContact CD2-CD2 3.71Å; H261-W316 AromaticContact CD2-CE3 3.51Å; H261-W316 AromaticContact CE1-CZ3 3.9Å; H261-W316 AromaticContact CG-CD2 3.88Å; H261-W316 AromaticContact NE2-CE3 3.49Å; H261-W316 AromaticContact NE2-CZ3 3.67Å |
| 262 | R | 90.8 | Very high | 91.1 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.2 | -175.8 | -63.6 | -177.3 | -179.6 | -151.3 | -5.5 | 110.8 | Q256 S257 C259 E310 C311 | Q256-R262 VanDerWaalsContact O-CZ 3.25Å; Q256-R262 PolarHBondContact O-NH2 3.41Å; Q256-R262 VanDerWaalsContact O-NH2 3.15Å; S257-R262 PolarHBondContact O-NH2 3.26Å; C259-R262 HydrophobicContact CB-CG 3.89Å; R262-E310 HydrophobicContact CB-CB 4.31Å; R262-E310 WeakPolarHBondContact CD-OE2 3.39Å; R262-E310 IonicContact CZ-OE2 2.86Å; R262-E310 IonicContact NH1-OE2 2.83Å; R262-E310 PolarHBondContact NH1-OE2 3.46Å; R262-E310 VanDerWaalsContact NH1-OE2 3.11Å; R262-C311 CarbonylContact C-O 3.49Å; R262-C311 VanDerWaalsContact CA-O 3.25Å; R262-C311 WeakPolarHBondContact CA-O 3.49Å |
| 263 | I | 91.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.8 | 170.7 | 59.3 | 172.5 | 0 | 0 | 0 | 109.2 | C265 Q267 Y268 C311 D313 | I263-C265 PolarHBondContact O-N 3.12Å; I263-Q267 HydrophobicContact CD1-CB 4.37Å; I263-Q267 HydrophobicContact CD1-CG 4.35Å; I263-Y268 HydrophobicContact CD1-CD1 4.31Å; I263-Y268 HydrophobicContact CD1-CD2 4.31Å; I263-Y268 HydrophobicContact CD1-CE1 3.85Å; I263-Y268 HydrophobicContact CD1-CE2 3.88Å; I263-Y268 HydrophobicContact CD1-CG 4.49Å; I263-Y268 HydrophobicContact CG1-CE2 4.17Å; I263-C311 PolarHBondContact N-O 3.3Å; I263-C311 PolarHBondContact O-N 3.27Å; I263-D313 HydrophobicContact CD1-CB 4.46Å; I263-D313 HydrophobicContact CG1-CB 4.31Å; I263-D313 HydrophobicContact CG2-CB 3.99Å |
| 264 | P | 92.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 128.2 | 169.6 | -23.7 | 35.2 | 0 | 0 | 0 | 109.7 | K266 Q267 L304 | P264-K266 PolarHBondContact O-N 3.49Å; P264-K266 VanDerWaalsContact O-N 3.13Å; P264-Q267 WeakPolarHBondContact O-CB 3.31Å; P264-Q267 PolarHBondContact O-N 3.05Å; P264-L304 HydrophobicContact CB-CD2 3.95Å; P264-L304 HydrophobicContact CG-CD1 4.26Å |
| 265 | C | 93 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -37.2 | -173.3 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | I263 Q267 Y268 P309 C311 | I263-C265 PolarHBondContact O-N 3.12Å; C265-Q267 PolarHBondContact O-N 2.9Å; C265-Q267 VanDerWaalsContact O-N 3.1Å; C265-Y268 WeakPolarHBondContact O-CB 3.34Å; C265-Y268 WeakPolarHBondContact O-CD2 3.24Å; C265-Y268 PolarHBondContact O-N 3.09Å; C265-P309 HydrophobicContact CB-CG 4.13Å; C265-P309 PolarHBondContact N-O 2.9Å; C265-P309 VanDerWaalsContact SG-C 3.59Å; C265-P309 PolarHBondContact SG-O 3.08Å; C265-C311 HydrophobicContact CB-CB 4.03Å; C265-C311 WeakPolarHBondContact CB-SG 3.41Å; C265-C311 WeakPolarHBondContact SG-CB 3.21Å; C265-C311 PolarHBondContact SG-N 3.37Å; C265-C311 CovalentContact SG-SG 2.03Å; C265-C311 PolarHBondContact SG-SG 2.77Å |
| 266 | K | 90 | Very high | 90.8 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.3 | 177.7 | -60.6 | -178.3 | -177.3 | 158.8 | 0 | 114.1 | P264 Y268 C269 L299 L304 D308 | P264-K266 PolarHBondContact O-N 3.49Å; P264-K266 VanDerWaalsContact O-N 3.13Å; K266-Y268 PolarHBondContact O-N 3.22Å; K266-C269 WeakPolarHBondContact O-CB 3.34Å; K266-C269 PolarHBondContact O-N 3.02Å; K266-L299 HydrophobicContact CB-CD1 3.53Å; K266-L299 HydrophobicContact CD-CD1 4.03Å; K266-L299 HydrophobicContact CG-CD1 4.38Å; K266-L304 HydrophobicContact CB-CD2 4.36Å; K266-D308 WeakPolarHBondContact CE-OD1 2.98Å; K266-D308 IonicContact NZ-OD1 3.63Å; K266-D308 PolarHBondContact NZ-OD1 2.97Å; K266-D308 IonicContact NZ-OD2 3.05Å; K266-D308 PolarHBondContact NZ-OD2 3.42Å |
| 267 | Q | 91.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 49 Ų | 49 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -30.4 | 174.4 | -178.5 | 59.7 | 24.3 | 0 | 0 | 111.4 | I263 P264 C265 C269 L270 E271 | I263-Q267 HydrophobicContact CD1-CB 4.37Å; I263-Q267 HydrophobicContact CD1-CG 4.35Å; P264-Q267 WeakPolarHBondContact O-CB 3.31Å; P264-Q267 PolarHBondContact O-N 3.05Å; C265-Q267 PolarHBondContact O-N 2.9Å; C265-Q267 VanDerWaalsContact O-N 3.1Å; Q267-C269 PolarHBondContact O-N 3.21Å; Q267-C269 VanDerWaalsContact O-N 3.13Å; Q267-L270 PolarHBondContact O-N 3.28Å; Q267-E271 HydrophobicContact CG-CG 4.32Å; Q267-E271 PolarHBondContact NE2-OE1 3.27Å; Q267-E271 PolarHBondContact O-N 3.02Å; Q267-E271 VanDerWaalsContact O-N 3.17Å |
| 268 | Y | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -29.2 | 179.7 | -83.6 | -58.3 | 0 | 0 | 0 | 113.9 | V242 A245 I263 C265 K266 L270 E271 V272 C311 C312 D313 V314 | V242-Y268 HydrophobicContact CB-CD1 4.47Å; A245-Y268 HydrophobicContact CB-CD1 3.84Å; A245-Y268 HydrophobicContact CB-CD2 4.12Å; A245-Y268 HydrophobicContact CB-CE1 3.61Å; A245-Y268 HydrophobicContact CB-CE2 3.87Å; A245-Y268 HydrophobicContact CB-CG 4.1Å; I263-Y268 HydrophobicContact CD1-CD1 4.31Å; I263-Y268 HydrophobicContact CD1-CD2 4.31Å; I263-Y268 HydrophobicContact CD1-CE1 3.85Å; I263-Y268 HydrophobicContact CD1-CE2 3.88Å; I263-Y268 HydrophobicContact CD1-CG 4.49Å; I263-Y268 HydrophobicContact CG1-CE2 4.17Å; C265-Y268 WeakPolarHBondContact O-CB 3.34Å; C265-Y268 WeakPolarHBondContact O-CD2 3.24Å; C265-Y268 PolarHBondContact O-N 3.09Å; K266-Y268 PolarHBondContact O-N 3.22Å; Y268-L270 VanDerWaalsContact C-N 3.33Å; Y268-L270 PolarHBondContact O-N 3.26Å; Y268-E271 HydrophobicContact CD1-CB 4.43Å; Y268-E271 HydrophobicContact CD1-CG 4.46Å; Y268-E271 PolarHBondContact O-N 2.02Å; Y268-V272 WeakPolarHBondContact O-CG2 3.35Å; Y268-V272 PolarHBondContact O-N 3.48Å; Y268-C311 HydrophobicContact CD2-CB 4.34Å; Y268-C311 HydrophobicContact CE2-CB 3.74Å; Y268-C312 PolarHBondContact OH-O 2.85Å; Y268-D313 WeakPolarHBondContact OH-CA 3.44Å; Y268-V314 HydrophobicContact CE1-CG2 3.8Å; Y268-V314 PolarHBondContact OH-N 2.65Å |
| 269 | C | 94.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 173.7 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | K266 Q267 E271 V272 Q273 C296 | K266-C269 WeakPolarHBondContact O-CB 3.34Å; K266-C269 PolarHBondContact O-N 3.02Å; Q267-C269 PolarHBondContact O-N 3.21Å; Q267-C269 VanDerWaalsContact O-N 3.13Å; C269-E271 VanDerWaalsContact C-N 3.34Å; C269-E271 PolarHBondContact O-N 2.92Å; C269-V272 PolarHBondContact O-N 3.24Å; C269-Q273 PolarHBondContact O-N 3.08Å; C269-Q273 VanDerWaalsContact O-N 3.09Å; C269-C296 WeakPolarHBondContact CA-SG 3.16Å; C269-C296 HydrophobicContact CB-CB 4.03Å; C269-C296 WeakPolarHBondContact CB-SG 3.36Å; C269-C296 PolarHBondContact O-SG 3.49Å; C269-C296 WeakPolarHBondContact SG-CA 3.42Å; C269-C296 WeakPolarHBondContact SG-CB 3.27Å; C269-C296 CovalentContact SG-SG 2.02Å; C269-C296 PolarHBondContact SG-SG 3.42Å |
| 270 | L | 92.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 53 Ų | 53 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 178.7 | -62.1 | 179.8 | 0 | 0 | 0 | 112.1 | Q267 Y268 V272 Q273 T274 C296 L299 | Q267-L270 PolarHBondContact O-N 3.28Å; Y268-L270 VanDerWaalsContact C-N 3.33Å; Y268-L270 PolarHBondContact O-N 3.26Å; L270-V272 VanDerWaalsContact C-N 3.31Å; L270-V272 PolarHBondContact O-N 3.03Å; L270-Q273 PolarHBondContact O-N 2.96Å; L270-T274 WeakPolarHBondContact O-CG2 3.48Å; L270-T274 PolarHBondContact O-N 2.92Å; L270-T274 PolarHBondContact O-OG1 2.89Å; L270-C296 HydrophobicContact CD2-CB 4.05Å; L270-L299 HydrophobicContact CD1-CD2 3.55Å; L270-L299 HydrophobicContact CD2-CD2 4.02Å; L270-L299 HydrophobicContact CG-CD2 3.44Å; L270-L299 VanDerWaalsContact CG-CD2 3.44Å |
| 271 | E | 93.5 | Very high | 91.9 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 174.8 | -58 | -61.3 | 144.4 | 0 | 0 | 110.4 | V242 Q267 Y268 C269 T274 M275 R315 | V242-E271 HydrophobicContact CB-CB 4.23Å; V242-E271 HydrophobicContact CG1-CB 4.22Å; Q267-E271 HydrophobicContact CG-CG 4.32Å; Q267-E271 PolarHBondContact NE2-OE1 3.27Å; Q267-E271 PolarHBondContact O-N 3.02Å; Q267-E271 VanDerWaalsContact O-N 3.17Å; Y268-E271 HydrophobicContact CD1-CB 4.43Å; Y268-E271 HydrophobicContact CD1-CG 4.46Å; Y268-E271 PolarHBondContact O-N 2.02Å; C269-E271 VanDerWaalsContact C-N 3.34Å; C269-E271 PolarHBondContact O-N 2.92Å; E271-T274 WeakPolarHBondContact CA-OG1 3.38Å; E271-T274 PolarHBondContact O-N 3.06Å; E271-T274 PolarHBondContact O-OG1 3.41Å; E271-T274 VanDerWaalsContact O-OG1 3.05Å; E271-M275 HydrophobicContact CB-SD 4.22Å; E271-M275 VanDerWaalsContact O-CB 3.24Å; E271-M275 WeakPolarHBondContact O-CB 3.48Å; E271-M275 WeakPolarHBondContact O-CG 3.36Å; E271-M275 PolarHBondContact O-N 2.87Å; E271-R315 IonicContact OE1-CZ 4Å; E271-R315 IonicContact OE1-NH1 3.62Å; E271-R315 PolarHBondContact OE1-NH1 3.4Å; E271-R315 IonicContact OE2-CZ 3.11Å; E271-R315 IonicContact OE2-NE 3.9Å; E271-R315 IonicContact OE2-NH1 3.82Å; E271-R315 PolarHBondContact OE2-NH1 3Å |
| 272 | V | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | V242 Y243 W246 Y268 C269 L270 T274 M275 C276 F294 | V242-V272 HydrophobicContact CB-CG2 4.45Å; V242-V272 HydrophobicContact CG2-CG2 4.08Å; Y243-V272 HydrophobicContact CD2-CG1 4.06Å; Y243-V272 HydrophobicContact CD2-CG2 4.4Å; W246-V272 HydrophobicContact CB-CG2 3.77Å; W246-V272 HydrophobicContact CG-CG2 4.21Å; Y268-V272 WeakPolarHBondContact O-CG2 3.35Å; Y268-V272 PolarHBondContact O-N 3.48Å; C269-V272 PolarHBondContact O-N 3.24Å; L270-V272 VanDerWaalsContact C-N 3.31Å; L270-V272 PolarHBondContact O-N 3.03Å; V272-T274 PolarHBondContact O-N 3.02Å; V272-M275 PolarHBondContact O-N 3.13Å; V272-C276 HydrophobicContact CG1-CB 4.21Å; V272-C276 WeakPolarHBondContact O-CB 3.46Å; V272-C276 PolarHBondContact O-N 3.16Å; V272-F294 HydrophobicContact CB-CD1 4.15Å; V272-F294 HydrophobicContact CB-CE1 3.61Å; V272-F294 HydrophobicContact CB-CZ 3.81Å; V272-F294 HydrophobicContact CG1-CD1 3.55Å; V272-F294 HydrophobicContact CG1-CD2 3.93Å; V272-F294 HydrophobicContact CG1-CE1 3.43Å; V272-F294 VanDerWaalsContact CG1-CE1 3.43Å; V272-F294 HydrophobicContact CG1-CE2 3.81Å; V272-F294 HydrophobicContact CG1-CG 3.8Å; V272-F294 HydrophobicContact CG1-CZ 3.57Å; V272-F294 HydrophobicContact CG2-CZ 4.27Å |
| 273 | Q | 93.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.1 | -30.6 | 178.8 | -74.5 | -171.5 | -53.2 | 0 | 0 | 114 | C269 L270 F294 I295 C296 | C269-Q273 PolarHBondContact O-N 3.08Å; C269-Q273 VanDerWaalsContact O-N 3.09Å; L270-Q273 PolarHBondContact O-N 2.96Å; Q273-F294 HydrophobicContact CG-CD1 3.82Å; Q273-F294 HydrophobicContact CG-CE1 4.17Å; Q273-I295 VanDerWaalsContact NE2-CA 3.34Å; Q273-C296 VanDerWaalsContact NE2-N 3.1Å; Q273-C296 PolarHBondContact OE1-SG 3.46Å; Q273-C296 VanDerWaalsContact OE1-SG 3.4Å |
| 274 | T | 91.6 | Very high | 91.7 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -91.8 | -28.4 | -176.2 | 53 | 0 | 0 | 0 | 0 | 112.9 | L270 E271 V272 | L270-T274 WeakPolarHBondContact O-CG2 3.48Å; L270-T274 PolarHBondContact O-N 2.92Å; L270-T274 PolarHBondContact O-OG1 2.89Å; E271-T274 WeakPolarHBondContact CA-OG1 3.38Å; E271-T274 PolarHBondContact O-N 3.06Å; E271-T274 PolarHBondContact O-OG1 3.41Å; E271-T274 VanDerWaalsContact O-OG1 3.05Å; V272-T274 PolarHBondContact O-N 3.02Å |
| 275 | M | 91.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -100 | -27.5 | -175.5 | -64.5 | 168.5 | 64.7 | 0 | 0 | 112.7 | Y230 S234 D238 V242 E271 V272 | Y230-M275 WeakPolarHBondContact CE2-O 3.3Å; Y230-M275 PolarHBondContact OH-O 3.02Å; S234-M275 VanDerWaalsContact CB-O 3.3Å; S234-M275 WeakPolarHBondContact CB-O 3.26Å; D238-M275 HydrophobicContact CB-CE 3.56Å; V242-M275 HydrophobicContact CB-SD 4.39Å; V242-M275 HydrophobicContact CG1-CE 3.54Å; V242-M275 HydrophobicContact CG1-SD 3.59Å; V242-M275 VanDerWaalsContact CG1-SD 3.59Å; V242-M275 HydrophobicContact CG2-CB 4.03Å; V242-M275 HydrophobicContact CG2-CE 4.2Å; V242-M275 HydrophobicContact CG2-SD 4.06Å; E271-M275 HydrophobicContact CB-SD 4.22Å; E271-M275 VanDerWaalsContact O-CB 3.24Å; E271-M275 WeakPolarHBondContact O-CB 3.48Å; E271-M275 WeakPolarHBondContact O-CG 3.36Å; E271-M275 PolarHBondContact O-N 2.87Å; V272-M275 PolarHBondContact O-N 3.13Å |
| 276 | C | 92.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -90.3 | 156.1 | -177.4 | -68.4 | 0 | 0 | 0 | 0 | 114 | C239 V272 | C239-C276 VanDerWaalsContact CA-SG 3.53Å; C239-C276 HydrophobicContact CB-CB 4.01Å; C239-C276 WeakPolarHBondContact CB-SG 3.23Å; C239-C276 WeakPolarHBondContact SG-CA 3.1Å; C239-C276 WeakPolarHBondContact SG-CB 3.39Å; C239-C276 CovalentContact SG-SG 2.03Å; C239-C276 PolarHBondContact SG-SG 3.34Å; V272-C276 HydrophobicContact CG1-CB 4.21Å; V272-C276 WeakPolarHBondContact O-CB 3.46Å; V272-C276 PolarHBondContact O-N 3.16Å |
| 277 | P | 92.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -63.7 | 151.4 | 177.8 | 21.3 | -29.5 | 0 | 0 | 0 | 112.7 | F222 L226 Y230 V279 | F222-P277 HydrophobicContact CE1-CG 3.77Å; F222-P277 HydrophobicContact CZ-CG 3.66Å; L226-P277 HydrophobicContact CD1-CB 4.39Å; L226-P277 HydrophobicContact CD1-CG 3.43Å; L226-P277 VanDerWaalsContact CD1-CG 3.43Å; L226-P277 HydrophobicContact CD2-CB 3.97Å; L226-P277 HydrophobicContact CD2-CG 3.91Å; L226-P277 HydrophobicContact CG-CG 4.29Å; Y230-P277 HydrophobicContact CD1-CB 4.17Å; Y230-P277 HydrophobicContact CD1-CG 4.35Å; Y230-P277 HydrophobicContact CD2-CB 3.63Å; Y230-P277 HydrophobicContact CD2-CG 4.34Å; Y230-P277 HydrophobicContact CE1-CG 4.48Å; Y230-P277 HydrophobicContact CE2-CB 4.15Å; Y230-P277 HydrophobicContact CE2-CG 4.45Å; Y230-P277 HydrophobicContact CG-CB 3.65Å; Y230-P277 HydrophobicContact CG-CG 4.3Å; P277-V279 PolarHBondContact O-N 2.85Å; P277-V279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | F | 91.6 | Very high | 91.2 | Very high | 131 Ų | 131 | 65 Ų | 65 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | trans | -71.5 | 108.1 | 170.5 | -177.2 | -86.3 | 0 | 0 | 0 | 109.9 | L280 G290 | F278-L280 HydrophobicContact CE1-CB 4.34Å; F278-L280 HydrophobicContact CE1-CD1 4.06Å; F278-L280 HydrophobicContact CZ-CD1 4.25Å; F278-G290 VanDerWaalsContact CZ-O 3.29Å; F278-G290 WeakPolarHBondContact CZ-O 2.9Å | ||
| 279 | V | 90.2 | Very high | 91 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 132.7 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | F221 P277 S292 S293 | F221-V279 HydrophobicContact CE1-CB 4.35Å; F221-V279 HydrophobicContact CE1-CG1 3.96Å; F221-V279 HydrophobicContact CE1-CG2 3.41Å; F221-V279 VanDerWaalsContact CE1-CG2 3.41Å; F221-V279 HydrophobicContact CE2-CG1 4.03Å; F221-V279 HydrophobicContact CZ-CB 4.17Å; F221-V279 HydrophobicContact CZ-CG1 3.35Å; F221-V279 HydrophobicContact CZ-CG2 3.67Å; P277-V279 PolarHBondContact O-N 2.85Å; P277-V279 VanDerWaalsContact O-N 3.16Å; V279-S292 CarbonylContact O-C 3.53Å; V279-S292 WeakPolarHBondContact O-CA 3.43Å; V279-S292 PolarHBondContact O-OG 2.03Å; V279-S293 WeakPolarHBondContact CG1-OG 3.4Å; V279-S293 PolarHBondContact O-N 2.91Å; V279-S293 PolarHBondContact O-OG 3.36Å |
| 280 | L | 90.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 69.8 Ų | 69.8 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 128.3 | 175.3 | -167.7 | 72.5 | 0 | 0 | 0 | 109.4 | F278 | F278-L280 HydrophobicContact CE1-CB 4.34Å; F278-L280 HydrophobicContact CE1-CD1 4.06Å; F278-L280 HydrophobicContact CZ-CD1 4.25Å |
| 281 | P | 90.7 | Very high | 90.6 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 153.8 | 176.5 | 30.6 | -33.3 | 0 | 0 | 0 | 111.2 | N283 Y288 Q291 S293 | P281-N283 PolarHBondContact O-ND2 3.11Å; P281-Y288 HydrophobicContact CB-CD2 3.99Å; P281-Y288 HydrophobicContact CB-CE2 4.11Å; P281-Y288 HydrophobicContact CB-CG 4.25Å; P281-Y288 HydrophobicContact CG-CD1 3.88Å; P281-Y288 HydrophobicContact CG-CD2 3.6Å; P281-Y288 HydrophobicContact CG-CE1 4.42Å; P281-Y288 HydrophobicContact CG-CE2 4.19Å; P281-Y288 HydrophobicContact CG-CG 3.44Å; P281-Y288 VanDerWaalsContact CG-CG 3.44Å; P281-Q291 WeakPolarHBondContact CD-O 3.49Å; P281-S293 WeakPolarHBondContact CA-OG 3.47Å; P281-S293 WeakPolarHBondContact CD-OG 3.4Å; P281-S293 VanDerWaalsContact N-OG 3.14Å |
| 282 | D | 88.1 | Confident | 90.5 | Very high | 131 Ų | 131 | 72.3 Ų | 72.3 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 136.3 | 174.2 | -63.1 | -37.1 | 0 | 0 | 0 | 110.5 | Y288 | D282-Y288 VanDerWaalsContact O-CE2 3.24Å; D282-Y288 WeakPolarHBondContact O-CE2 3.47Å |
| 283 | N | 87.9 | Confident | 90.3 | Very high | 68 Ų | 68 | 75.2 Ų | 75.2 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | trans | -100.8 | 18.6 | -175.5 | -67.5 | -84.6 | 0 | 0 | 0 | 113.3 | P281 L286 Y288 | P281-N283 PolarHBondContact O-ND2 3.11Å; N283-L286 VanDerWaalsContact CA-O 3.26Å; N283-L286 WeakPolarHBondContact CA-O 3.25Å; N283-L286 PolarHBondContact OD1-O 3.09Å; N283-Y288 PolarHBondContact OD1-N 2.72Å | ||
| 284 | D | 89.2 | Confident | 90.3 | Very high | 149 Ų | 149 | 73.3 Ų | 73.3 | 80% | 0.797 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -66.5 | -45.1 | -172.9 | -68.1 | -15.5 | 0 | 0 | 0 | 112 | ||
| 285 | D | 88.8 | Confident | 90.3 | Very high | 159 Ų | 159 | 73.1 Ų | 73.1 | 85% | 0.85 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -100.5 | -22.5 | -178.1 | -63.6 | -40.4 | 0 | 0 | 0 | 113.6 | ||
| 286 | L | 89.2 | Confident | 90.2 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -150.4 | 136.2 | -175.8 | -176.1 | 64.2 | 0 | 0 | 0 | 110.8 | N283 Y288 | N283-L286 VanDerWaalsContact CA-O 3.26Å; N283-L286 WeakPolarHBondContact CA-O 3.25Å; N283-L286 PolarHBondContact OD1-O 3.09Å; L286-Y288 HydrophobicContact CB-CE2 3.93Å; L286-Y288 HydrophobicContact CD2-CE1 3.89Å; L286-Y288 HydrophobicContact CD2-CE2 4.46Å; L286-Y288 HydrophobicContact CG-CE2 4.36Å; L286-Y288 WeakPolarHBondContact O-CD2 3.19Å; L286-Y288 VanDerWaalsContact O-CE2 3.25Å; L286-Y288 WeakPolarHBondContact O-CE2 3.48Å |
| 287 | V | 91.3 | Very high | 89.2 | Confident | 123 Ų | 123 | 76.9 Ų | 76.9 | 75% | 0.745 | 45% | 0.452 | S | S | * | . | trans | -85.2 | 114.4 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 288 | Y | 87.1 | Confident | 87.8 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 17% | 0.169 | 47% | 0.473 | C | S | . | . | trans | -90.7 | -7.9 | -176.8 | -69 | -86.3 | 0 | 0 | 0 | 114.3 | M1 P281 D282 N283 L286 G290 Q291 | M1-Y288 WeakPolarHBondContact CE-OH 3.42Å; P281-Y288 HydrophobicContact CB-CD2 3.99Å; P281-Y288 HydrophobicContact CB-CE2 4.11Å; P281-Y288 HydrophobicContact CB-CG 4.25Å; P281-Y288 HydrophobicContact CG-CD1 3.88Å; P281-Y288 HydrophobicContact CG-CD2 3.6Å; P281-Y288 HydrophobicContact CG-CE1 4.42Å; P281-Y288 HydrophobicContact CG-CE2 4.19Å; P281-Y288 HydrophobicContact CG-CG 3.44Å; P281-Y288 VanDerWaalsContact CG-CG 3.44Å; D282-Y288 VanDerWaalsContact O-CE2 3.24Å; D282-Y288 WeakPolarHBondContact O-CE2 3.47Å; N283-Y288 PolarHBondContact OD1-N 2.72Å; L286-Y288 HydrophobicContact CB-CE2 3.93Å; L286-Y288 HydrophobicContact CD2-CE1 3.89Å; L286-Y288 HydrophobicContact CD2-CE2 4.46Å; L286-Y288 HydrophobicContact CG-CE2 4.36Å; L286-Y288 WeakPolarHBondContact O-CD2 3.19Å; L286-Y288 VanDerWaalsContact O-CE2 3.25Å; L286-Y288 WeakPolarHBondContact O-CE2 3.48Å; Y288-G290 VanDerWaalsContact C-N 3.26Å; Y288-G290 PolarHBondContact O-N 2.88Å; Y288-Q291 WeakPolarHBondContact O-CB 3.36Å; Y288-Q291 VanDerWaalsContact O-CG 3.25Å; Y288-Q291 WeakPolarHBondContact O-CG 3.4Å; Y288-Q291 PolarHBondContact O-N 3.4Å | ||
| 289 | G | 89.8 | Confident | 86 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 73% | 0.732 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 31.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 290 | G | 88.9 | Confident | 84.1 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 14.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F278 Y288 | F278-G290 VanDerWaalsContact CZ-O 3.29Å; F278-G290 WeakPolarHBondContact CZ-O 2.9Å; Y288-G290 VanDerWaalsContact C-N 3.26Å; Y288-G290 PolarHBondContact O-N 2.88Å |
| 291 | Q | 90.4 | Very high | 82.2 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | trans | -69.8 | 149.9 | 167.4 | -68.6 | 175.5 | 35.5 | 0 | 0 | 110.9 | P281 Y288 | P281-Q291 WeakPolarHBondContact CD-O 3.49Å; Y288-Q291 WeakPolarHBondContact O-CB 3.36Å; Y288-Q291 VanDerWaalsContact O-CG 3.25Å; Y288-Q291 WeakPolarHBondContact O-CG 3.4Å; Y288-Q291 PolarHBondContact O-N 3.4Å | ||
| 292 | S | 91.7 | Very high | 80.2 | Confident | 24 Ų | 24 | 88.3 Ų | 88.3 | 17% | 0.168 | 52% | 0.523 | C | S | . | . | trans | -73.5 | 153.9 | 174.3 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | V279 F294 | V279-S292 CarbonylContact O-C 3.53Å; V279-S292 WeakPolarHBondContact O-CA 3.43Å; V279-S292 PolarHBondContact O-OG 2.03Å; S292-F294 PolarHBondContact O-N 3.18Å | ||
| 293 | S | 90.6 | Very high | 78.3 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -59.9 | -26.1 | 171 | -58.9 | 0 | 0 | 0 | 0 | 113 | V279 P281 | V279-S293 WeakPolarHBondContact CG1-OG 3.4Å; V279-S293 PolarHBondContact O-N 2.91Å; V279-S293 PolarHBondContact O-OG 3.36Å; P281-S293 WeakPolarHBondContact CA-OG 3.47Å; P281-S293 WeakPolarHBondContact CD-OG 3.4Å; P281-S293 VanDerWaalsContact N-OG 3.14Å |
| 294 | F | 92.8 | Very high | 76.8 | Confident | 42 Ų | 42 | 90.6 Ų | 90.6 | 18% | 0.184 | 53% | 0.529 | C | S | . | . | trans | -113.8 | 114 | 177.4 | -165 | -81.2 | 0 | 0 | 0 | 110.4 | Y243 W246 V272 Q273 S292 | Y243-F294 HydrophobicContact CD2-CE2 4.45Å; Y243-F294 HydrophobicContact CE2-CD2 4.28Å; Y243-F294 HydrophobicContact CE2-CE2 4.09Å; W246-F294 AromaticContact CD2-CE2 3.88Å; W246-F294 HydrophobicContact CD2-CE2 3.88Å; W246-F294 AromaticContact CD2-CZ 3.7Å; W246-F294 HydrophobicContact CD2-CZ 3.7Å; W246-F294 AromaticContact CE2-CE2 3.87Å; W246-F294 AromaticContact CE2-CZ 3.6Å; W246-F294 AromaticContact CE3-CE2 3.74Å; W246-F294 HydrophobicContact CE3-CE2 3.74Å; W246-F294 HydrophobicContact CE3-CZ 4.05Å; W246-F294 HydrophobicContact CG-CZ 4.24Å; W246-F294 AromaticContact CH2-CE2 3.6Å; W246-F294 HydrophobicContact CH2-CE2 3.6Å; W246-F294 HydrophobicContact CH2-CZ 4.2Å; W246-F294 AromaticContact CZ2-CE2 3.72Å; W246-F294 HydrophobicContact CZ2-CE2 3.72Å; W246-F294 AromaticContact CZ2-CZ 3.85Å; W246-F294 HydrophobicContact CZ2-CZ 3.85Å; W246-F294 AromaticContact CZ3-CE2 3.62Å; W246-F294 HydrophobicContact CZ3-CE2 3.62Å; W246-F294 HydrophobicContact CZ3-CZ 4.3Å; V272-F294 HydrophobicContact CB-CD1 4.15Å; V272-F294 HydrophobicContact CB-CE1 3.61Å; V272-F294 HydrophobicContact CB-CZ 3.81Å; V272-F294 HydrophobicContact CG1-CD1 3.55Å; V272-F294 HydrophobicContact CG1-CD2 3.93Å; V272-F294 HydrophobicContact CG1-CE1 3.43Å; V272-F294 VanDerWaalsContact CG1-CE1 3.43Å; V272-F294 HydrophobicContact CG1-CE2 3.81Å; V272-F294 HydrophobicContact CG1-CG 3.8Å; V272-F294 HydrophobicContact CG1-CZ 3.57Å; V272-F294 HydrophobicContact CG2-CZ 4.27Å; Q273-F294 HydrophobicContact CG-CD1 3.82Å; Q273-F294 HydrophobicContact CG-CE1 4.17Å; S292-F294 PolarHBondContact O-N 3.18Å | ||
| 295 | I | 91 | Very high | 75.2 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | trans | -134.9 | 137.1 | 176.4 | 56.5 | 170 | 0 | 0 | 0 | 112.1 | Q273 A297 | Q273-I295 VanDerWaalsContact NE2-CA 3.34Å; I295-A297 PolarHBondContact O-N 2.85Å | ||
| 296 | C | 89.3 | Confident | 73.5 | Confident | 25 Ų | 25 | 88.7 Ų | 88.7 | 17% | 0.169 | 52% | 0.522 | C | S | . | . | trans | -89 | 97 | 171.5 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | C269 L270 Q273 | C269-C296 WeakPolarHBondContact CA-SG 3.16Å; C269-C296 HydrophobicContact CB-CB 4.03Å; C269-C296 WeakPolarHBondContact CB-SG 3.36Å; C269-C296 PolarHBondContact O-SG 3.49Å; C269-C296 WeakPolarHBondContact SG-CA 3.42Å; C269-C296 WeakPolarHBondContact SG-CB 3.27Å; C269-C296 CovalentContact SG-SG 2.02Å; C269-C296 PolarHBondContact SG-SG 3.42Å; L270-C296 HydrophobicContact CD2-CB 4.05Å; Q273-C296 VanDerWaalsContact NE2-N 3.1Å; Q273-C296 PolarHBondContact OE1-SG 3.46Å; Q273-C296 VanDerWaalsContact OE1-SG 3.4Å | ||
| 297 | A | 73 | Confident | 72.4 | Confident | 92 Ų | 92 | 89 Ų | 89 | 76% | 0.76 | 54% | 0.536 | S | S | * | . | trans | -81.8 | 136.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I295 L299 | I295-A297 PolarHBondContact O-N 2.85Å; A297-L299 PolarHBondContact O-N 3.31Å | ||
| 298 | G | 61.6 | Low | 71.8 | Confident | 53 Ų | 53 | 84.8 Ų | 84.8 | 55% | 0.546 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 79.3 | 8.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 299 | L | 54.3 | Low | 71.9 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 20% | 0.199 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.7 | 176.6 | -160.2 | 73.2 | 0 | 0 | 0 | 113.6 | K266 L270 A297 L304 | K266-L299 HydrophobicContact CB-CD1 3.53Å; K266-L299 HydrophobicContact CD-CD1 4.03Å; K266-L299 HydrophobicContact CG-CD1 4.38Å; L270-L299 HydrophobicContact CD1-CD2 3.55Å; L270-L299 HydrophobicContact CD2-CD2 4.02Å; L270-L299 HydrophobicContact CG-CD2 3.44Å; L270-L299 VanDerWaalsContact CG-CD2 3.44Å; A297-L299 PolarHBondContact O-N 3.31Å; L299-L304 HydrophobicContact CD1-CD2 4.45Å |
| 300 | L | 50 | Low | 72.1 | Confident | 166 Ų | 166 | 84.2 Ų | 84.2 | 87% | 0.869 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -24.3 | -179.5 | -160.4 | 67.9 | 0 | 0 | 0 | 113 | ||
| 301 | E | 49.9 | Very low | 72.4 | Confident | 157 Ų | 157 | 81.9 Ų | 81.9 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -20.1 | -173.2 | -117.3 | 70.7 | -159.7 | 0 | 0 | 114.3 | ||
| 302 | N | 48.9 | Very low | 72.5 | Confident | 119 Ų | 119 | 78 Ų | 78 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -112.1 | 97.7 | 175.3 | -68.2 | -41.4 | 0 | 0 | 0 | 107.6 | L304 | N302-L304 PolarHBondContact O-N 2.92Š|
| 303 | H | 49.2 | Very low | 72.6 | Confident | 174 Ų | 174 | 77.4 Ų | 77.4 | 81% | 0.806 | 45% | 0.446 | S | S | * | . | trans | -38.6 | 118.8 | 164.2 | -78.6 | -78.6 | 0 | 0 | 0 | 108.5 | T305 | H303-T305 VanDerWaalsContact C-N 3.3Å; H303-T305 WeakPolarHBondContact O-CG2 3.49Å; H303-T305 PolarHBondContact O-N 3.36Å | ||
| 304 | L | 56.3 | Low | 72.6 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | trans | -42.4 | 97.9 | 171.9 | -66.1 | 161.3 | 0 | 0 | 0 | 107.5 | P264 K266 L299 N302 | P264-L304 HydrophobicContact CB-CD2 3.95Å; P264-L304 HydrophobicContact CG-CD1 4.26Å; K266-L304 HydrophobicContact CB-CD2 4.36Å; L299-L304 HydrophobicContact CD1-CD2 4.45Å; N302-L304 PolarHBondContact O-N 2.92Å | ||
| 305 | T | 54.9 | Low | 72.2 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | trans | -77.2 | 146.4 | -178.3 | 52 | 0 | 0 | 0 | 0 | 106 | H303 A307 D308 | H303-T305 VanDerWaalsContact C-N 3.3Å; H303-T305 WeakPolarHBondContact O-CG2 3.49Å; H303-T305 PolarHBondContact O-N 3.36Å; T305-A307 PolarHBondContact O-N 3.37Å; T305-D308 PolarHBondContact O-N 3.27Å | ||
| 306 | N | 54 | Low | 71.7 | Confident | 182 Ų | 182 | 75.7 Ų | 75.7 | 97% | 0.973 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 3.6 | 177.3 | -62.4 | -59.1 | 0 | 0 | 0 | 113.9 | ||
| 307 | A | 64.8 | Low | 70.6 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 74% | 0.744 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -9.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T305 | T305-A307 PolarHBondContact O-N 3.37Š|
| 308 | D | 79.5 | Confident | 69.9 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 19% | 0.187 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -73.5 | 144.4 | 177.1 | -75 | -26 | 0 | 0 | 0 | 111 | K266 T305 | K266-D308 WeakPolarHBondContact CE-OD1 2.98Å; K266-D308 IonicContact NZ-OD1 3.63Å; K266-D308 PolarHBondContact NZ-OD1 2.97Å; K266-D308 IonicContact NZ-OD2 3.05Å; K266-D308 PolarHBondContact NZ-OD2 3.42Å; T305-D308 PolarHBondContact O-N 3.27Å |
| 309 | P | 89.9 | Confident | 70 | Confident | 17 Ų | 17 | 76.2 Ų | 76.2 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.7 | -179.6 | 28.5 | -37.4 | 0 | 0 | 0 | 111.6 | N253 T255 C265 | N253-P309 WeakPolarHBondContact OD1-CG 3.41Å; T255-P309 WeakPolarHBondContact OG1-CA 2.99Å; C265-P309 HydrophobicContact CB-CG 4.13Å; C265-P309 PolarHBondContact N-O 2.9Å; C265-P309 VanDerWaalsContact SG-C 3.59Å; C265-P309 PolarHBondContact SG-O 3.08Å |
| 310 | E | 93.7 | Very high | 70.2 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.7 | 173.3 | -60.4 | -171.8 | 135.5 | 0 | 0 | 111.1 | T255 Q256 R262 | T255-E310 CarbonylContact C-O 3.28Å; T255-E310 WeakPolarHBondContact CA-O 3.45Å; T255-E310 HydrophobicContact CG2-CB 4.04Å; T255-E310 PolarHBondContact OG1-N 2.97Å; Q256-E310 PolarHBondContact N-O 2.93Å; R262-E310 HydrophobicContact CB-CB 4.31Å; R262-E310 WeakPolarHBondContact CD-OE2 3.39Å; R262-E310 IonicContact CZ-OE2 2.86Å; R262-E310 IonicContact NH1-OE2 2.83Å; R262-E310 PolarHBondContact NH1-OE2 3.46Å; R262-E310 VanDerWaalsContact NH1-OE2 3.11Å |
| 311 | C | 94.7 | Very high | 70.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151 | 176.7 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | Y160 R262 I263 C265 Y268 D313 | Y160-C311 PolarHBondContact OH-SG 3.37Å; R262-C311 CarbonylContact C-O 3.49Å; R262-C311 VanDerWaalsContact CA-O 3.25Å; R262-C311 WeakPolarHBondContact CA-O 3.49Å; I263-C311 PolarHBondContact N-O 3.3Å; I263-C311 PolarHBondContact O-N 3.27Å; C265-C311 HydrophobicContact CB-CB 4.03Å; C265-C311 WeakPolarHBondContact CB-SG 3.41Å; C265-C311 WeakPolarHBondContact SG-CB 3.21Å; C265-C311 PolarHBondContact SG-N 3.37Å; C265-C311 CovalentContact SG-SG 2.03Å; C265-C311 PolarHBondContact SG-SG 2.77Å; Y268-C311 HydrophobicContact CD2-CB 4.34Å; Y268-C311 HydrophobicContact CE2-CB 3.74Å; C311-D313 PolarHBondContact O-N 2.99Å |
| 312 | C | 93 | Very high | 71.3 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 135.8 | 168.3 | -65.3 | 0 | 0 | 0 | 0 | 109.3 | Q256 C259 H261 Y268 V314 | Q256-C312 PolarHBondContact OE1-SG 3.32Å; C259-C312 HydrophobicContact CB-CB 3.72Å; C259-C312 WeakPolarHBondContact CB-SG 3.38Å; C259-C312 WeakPolarHBondContact SG-CA 2.99Å; C259-C312 WeakPolarHBondContact SG-CB 3.36Å; C259-C312 PolarHBondContact SG-N 3.07Å; C259-C312 VanDerWaalsContact SG-N 3.38Å; C259-C312 CovalentContact SG-SG 2.01Å; C259-C312 PolarHBondContact SG-SG 2.91Å; H261-C312 WeakPolarHBondContact O-CA 3.26Å; Y268-C312 PolarHBondContact OH-O 2.85Å; C312-V314 PolarHBondContact O-N 2.84Å |
| 313 | D | 92.7 | Very high | 71.8 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.064 | 42% | 0.417 | C | S | . | . | trans | -79.9 | 101.5 | 173.5 | -168.1 | -18.5 | 0 | 0 | 0 | 110.4 | H261 I263 Y268 C311 R315 W316 | H261-D313 HydrophobicContact CB-CB 4.24Å; H261-D313 PolarHBondContact O-N 3.21Å; I263-D313 HydrophobicContact CD1-CB 4.46Å; I263-D313 HydrophobicContact CG1-CB 4.31Å; I263-D313 HydrophobicContact CG2-CB 3.99Å; Y268-D313 WeakPolarHBondContact OH-CA 3.44Å; C311-D313 PolarHBondContact O-N 2.99Å; D313-R315 PolarHBondContact O-N 3.13Å; D313-R315 VanDerWaalsContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CB 3.27Å; D313-R315 WeakPolarHBondContact OD1-CG 3.29Å; D313-R315 IonicContact OD1-CZ 3.57Å; D313-R315 PolarHBondContact OD1-N 3.38Å; D313-R315 VanDerWaalsContact OD1-N 3.14Å; D313-R315 IonicContact OD1-NE 2.83Å; D313-R315 PolarHBondContact OD1-NE 3.41Å; D313-R315 IonicContact OD1-NH2 3.24Å; D313-R315 IonicContact OD2-CZ 3.94Å; D313-R315 IonicContact OD2-NE 2.67Å; D313-R315 IonicContact OD2-NH2 2.77Å; D313-R315 PolarHBondContact OD2-NH2 3.49Å; D313-W316 HydrophobicContact CB-CG 4.49Å; D313-W316 WeakPolarHBondContact O-CB 3.49Å; D313-W316 PolarHBondContact O-N 3.4Å; D313-W316 PolarHBondContact OD2-NE1 2.9Å; D313-W316 VanDerWaalsContact OD2-NE1 3.14Å | ||
| 314 | V | 90.1 | Very high | 72.3 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -66.1 | -17.8 | -176.5 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | V242 A245 Y268 C312 W316 S317 | V242-V314 HydrophobicContact CG1-CG2 4.26Å; A245-V314 HydrophobicContact CB-CG1 3.99Å; A245-V314 HydrophobicContact CB-CG2 4.04Å; Y268-V314 HydrophobicContact CE1-CG2 3.8Å; Y268-V314 PolarHBondContact OH-N 2.65Å; C312-V314 PolarHBondContact O-N 2.84Å; V314-W316 PolarHBondContact O-N 3.11Å; V314-S317 WeakPolarHBondContact O-CB 3.47Å; V314-S317 PolarHBondContact O-N 3.4Å; V314-S317 PolarHBondContact O-OG 3.16Å |
| 315 | R | 85.1 | Confident | 72.3 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -68.5 | -14.1 | 173.9 | -55.4 | 174.2 | -59 | 173.2 | 7.5 | 112.4 | V242 E271 D313 | V242-R315 HydrophobicContact CG1-CG 4.44Å; E271-R315 IonicContact OE1-CZ 4Å; E271-R315 IonicContact OE1-NH1 3.62Å; E271-R315 PolarHBondContact OE1-NH1 3.4Å; E271-R315 IonicContact OE2-CZ 3.11Å; E271-R315 IonicContact OE2-NE 3.9Å; E271-R315 IonicContact OE2-NH1 3.82Å; E271-R315 PolarHBondContact OE2-NH1 3Å; D313-R315 PolarHBondContact O-N 3.13Å; D313-R315 VanDerWaalsContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CB 3.27Å; D313-R315 WeakPolarHBondContact OD1-CG 3.29Å; D313-R315 IonicContact OD1-CZ 3.57Å; D313-R315 PolarHBondContact OD1-N 3.38Å; D313-R315 VanDerWaalsContact OD1-N 3.14Å; D313-R315 IonicContact OD1-NE 2.83Å; D313-R315 PolarHBondContact OD1-NE 3.41Å; D313-R315 IonicContact OD1-NH2 3.24Å; D313-R315 IonicContact OD2-CZ 3.94Å; D313-R315 IonicContact OD2-NE 2.67Å; D313-R315 IonicContact OD2-NH2 2.77Å; D313-R315 PolarHBondContact OD2-NH2 3.49Å |
| 316 | W | 80.6 | Confident | 72.3 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -98.3 | 0.6 | 173.1 | -63.4 | 72.2 | 0 | 0 | 0 | 112.7 | H261 D313 V314 G318 C319 A325 A328 | H261-W316 HydrophobicContact CB-CB 4.4Å; H261-W316 HydrophobicContact CB-CD2 4.36Å; H261-W316 HydrophobicContact CB-CG 4.1Å; H261-W316 AromaticContact CD2-CD2 3.71Å; H261-W316 AromaticContact CD2-CE3 3.51Å; H261-W316 AromaticContact CE1-CZ3 3.9Å; H261-W316 AromaticContact CG-CD2 3.88Å; H261-W316 AromaticContact NE2-CE3 3.49Å; H261-W316 AromaticContact NE2-CZ3 3.67Å; D313-W316 HydrophobicContact CB-CG 4.49Å; D313-W316 WeakPolarHBondContact O-CB 3.49Å; D313-W316 PolarHBondContact O-N 3.4Å; D313-W316 PolarHBondContact OD2-NE1 2.9Å; D313-W316 VanDerWaalsContact OD2-NE1 3.14Å; V314-W316 PolarHBondContact O-N 3.11Å; W316-G318 PolarHBondContact O-N 3.25Å; W316-C319 WeakPolarHBondContact O-CB 3.4Å; W316-C319 PolarHBondContact O-N 3.34Å; W316-C319 VanDerWaalsContact O-N 3.08Å; W316-A325 HydrophobicContact CH2-CB 4.07Å; W316-A328 HydrophobicContact CD2-CB 3.68Å; W316-A328 VanDerWaalsContact CE2-CB 3.47Å; W316-A328 HydrophobicContact CE3-CB 3.69Å; W316-A328 HydrophobicContact CH2-CB 3.37Å; W316-A328 HydrophobicContact CZ2-CB 3.33Å; W316-A328 HydrophobicContact CZ3-CB 3.54Å |
| 317 | S | 65.6 | Low | 72.6 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 128.7 | 177 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | V314 Q331 | V314-S317 WeakPolarHBondContact O-CB 3.47Å; V314-S317 PolarHBondContact O-N 3.4Å; V314-S317 PolarHBondContact O-OG 3.16Å; S317-Q331 PolarHBondContact O-NE2 2.97Å |
| 318 | G | 59.5 | Low | 72.1 | Confident | 82 Ų | 82 | 50 Ų | 50 | 85% | 0.845 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 3.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | W316 | W316-G318 PolarHBondContact O-N 3.25Š|
| 319 | C | 63.4 | Low | 70.8 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | trans | -80.8 | 128.1 | 168.8 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | W316 C327 | W316-C319 WeakPolarHBondContact O-CB 3.4Å; W316-C319 PolarHBondContact O-N 3.34Å; W316-C319 VanDerWaalsContact O-N 3.08Å; C319-C327 WeakPolarHBondContact CA-SG 3.4Å; C319-C327 HydrophobicContact CB-CB 3.61Å; C319-C327 WeakPolarHBondContact CB-SG 3.49Å; C319-C327 VanDerWaalsContact SG-C 3.6Å; C319-C327 WeakPolarHBondContact SG-CB 3.49Å; C319-C327 CovalentContact SG-SG 2.04Å; C319-C327 PolarHBondContact SG-SG 3.18Å | ||
| 320 | D | 58.8 | Low | 69 | Low | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | trans | -69.1 | 127.3 | 174 | -168.6 | -39.8 | 0 | 0 | 0 | 109 | S322 V323 | D320-S322 PolarHBondContact O-N 2.92Å; D320-S322 WeakPolarHBondContact OD1-CB 3.29Å; D320-S322 PolarHBondContact OD1-N 3.33Å; D320-S322 PolarHBondContact OD1-OG 3.49Å; D320-S322 PolarHBondContact OD2-OG 2.96Å; D320-V323 HydrophobicContact CB-CB 4.48Å; D320-V323 HydrophobicContact CB-CG2 3.96Å; D320-V323 PolarHBondContact O-N 2.99Å | ||
| 321 | P | 59.9 | Low | 67 | Low | 82 Ų | 82 | 53.6 Ų | 53.6 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.6 | 178.7 | -23 | 31.8 | 0 | 0 | 0 | 113.1 | Q260 | Q260-P321 VanDerWaalsContact NE2-CG 3.34Š|
| 322 | S | 61.8 | Low | 64.8 | Low | 98 Ų | 98 | 57.6 Ų | 57.6 | 69% | 0.685 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21.7 | 178.8 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | D320 | D320-S322 PolarHBondContact O-N 2.92Å; D320-S322 WeakPolarHBondContact OD1-CB 3.29Å; D320-S322 PolarHBondContact OD1-N 3.33Å; D320-S322 PolarHBondContact OD1-OG 3.49Å; D320-S322 PolarHBondContact OD2-OG 2.96Å |
| 323 | V | 60 | Low | 62.4 | Low | 83 Ų | 83 | 58.4 Ų | 58.4 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -14.6 | -178 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | D320 A326 C327 | D320-V323 HydrophobicContact CB-CB 4.48Å; D320-V323 HydrophobicContact CB-CG2 3.96Å; D320-V323 PolarHBondContact O-N 2.99Å; V323-A326 HydrophobicContact CG1-CB 4.4Å; V323-C327 HydrophobicContact CG1-CB 4.11Å |
| 324 | G | 60 | Low | 60 | Low | 33 Ų | 33 | 61.1 Ų | 61.1 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -157.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | A326 C327 | G324-A326 PolarHBondContact O-N 3.4Å; G324-C327 PolarHBondContact O-N 3.11Å; G324-C327 VanDerWaalsContact O-N 3.1Å |
| 325 | A | 56.6 | Low | 57.5 | Low | 62 Ų | 62 | 61.9 Ų | 61.9 | 51% | 0.512 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58 | -15.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W316 C327 A328 L329 | W316-A325 HydrophobicContact CH2-CB 4.07Å; A325-C327 VanDerWaalsContact C-N 3.26Å; A325-C327 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 3.37Å; A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 3.41Å; A325-L329 VanDerWaalsContact O-N 3.15Å |
| 326 | A | 54.3 | Low | 55.3 | Low | 57 Ų | 57 | 64.2 Ų | 64.2 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V323 G324 L329 T330 | V323-A326 HydrophobicContact CG1-CB 4.4Å; G324-A326 PolarHBondContact O-N 3.4Å; A326-L329 PolarHBondContact O-N 3.43Å; A326-T330 PolarHBondContact O-N 3.07Å; A326-T330 VanDerWaalsContact O-N 3.12Å; A326-T330 PolarHBondContact O-OG1 3.28Å |
| 327 | C | 61.7 | Low | 53.4 | Low | 19 Ų | 19 | 64.4 Ų | 64.4 | 13% | 0.128 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | C319 V323 G324 A325 L329 T330 Q331 | C319-C327 WeakPolarHBondContact CA-SG 3.4Å; C319-C327 HydrophobicContact CB-CB 3.61Å; C319-C327 WeakPolarHBondContact CB-SG 3.49Å; C319-C327 VanDerWaalsContact SG-C 3.6Å; C319-C327 WeakPolarHBondContact SG-CB 3.49Å; C319-C327 CovalentContact SG-SG 2.04Å; C319-C327 PolarHBondContact SG-SG 3.18Å; V323-C327 HydrophobicContact CG1-CB 4.11Å; G324-C327 PolarHBondContact O-N 3.11Å; G324-C327 VanDerWaalsContact O-N 3.1Å; A325-C327 VanDerWaalsContact C-N 3.26Å; A325-C327 PolarHBondContact O-N 3.45Å; C327-L329 VanDerWaalsContact C-N 3.33Å; C327-L329 PolarHBondContact O-N 3.15Å; C327-T330 WeakPolarHBondContact CA-OG1 3.49Å; C327-T330 PolarHBondContact O-N 2.9Å; C327-T330 VanDerWaalsContact O-N 3.16Å; C327-T330 PolarHBondContact O-OG1 2.99Å; C327-Q331 PolarHBondContact O-N 3.11Å; C327-Q331 VanDerWaalsContact O-N 3.14Å |
| 328 | A | 54.2 | Low | 52 | Low | 12 Ų | 12 | 67.9 Ų | 67.9 | 10% | 0.099 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W316 A325 T330 Q331 L332 | W316-A328 HydrophobicContact CD2-CB 3.68Å; W316-A328 VanDerWaalsContact CE2-CB 3.47Å; W316-A328 HydrophobicContact CE3-CB 3.69Å; W316-A328 HydrophobicContact CH2-CB 3.37Å; W316-A328 HydrophobicContact CZ2-CB 3.33Å; W316-A328 HydrophobicContact CZ3-CB 3.54Å; A325-A328 PolarHBondContact O-N 3.37Å; A328-T330 VanDerWaalsContact C-N 3.27Å; A328-T330 PolarHBondContact O-N 3.37Å; A328-Q331 CarbonylContact O-C 3.55Å; A328-Q331 WeakPolarHBondContact O-CA 3.26Å; A328-Q331 PolarHBondContact O-N 2.78Å; A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 3.07Å |
| 329 | L | 51.5 | Low | 50.8 | Low | 109 Ų | 109 | 72.5 Ų | 72.5 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.3 | -32.5 | 174 | -69.3 | 173.2 | 0 | 0 | 0 | 112.7 | A325 A326 C327 Q331 L332 S335 | A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 3.41Å; A325-L329 VanDerWaalsContact O-N 3.15Å; A326-L329 PolarHBondContact O-N 3.43Å; C327-L329 VanDerWaalsContact C-N 3.33Å; C327-L329 PolarHBondContact O-N 3.15Å; L329-Q331 VanDerWaalsContact C-N 3.35Å; L329-L332 HydrophobicContact CD2-CD1 3.52Å; L329-S335 WeakPolarHBondContact O-CB 3.42Å |
| 330 | T | 51.8 | Low | 49.4 | Very low | 55 Ų | 55 | 81.4 Ų | 81.4 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.2 | -19 | 172 | 30.5 | 0 | 0 | 0 | 0 | 114.5 | A326 C327 A328 S335 S337 | A326-T330 PolarHBondContact O-N 3.07Å; A326-T330 VanDerWaalsContact O-N 3.12Å; A326-T330 PolarHBondContact O-OG1 3.28Å; C327-T330 WeakPolarHBondContact CA-OG1 3.49Å; C327-T330 PolarHBondContact O-N 2.9Å; C327-T330 VanDerWaalsContact O-N 3.16Å; C327-T330 PolarHBondContact O-OG1 2.99Å; A328-T330 VanDerWaalsContact C-N 3.27Å; A328-T330 PolarHBondContact O-N 3.37Å; T330-S335 WeakPolarHBondContact CA-OG 3.16Å; T330-S335 WeakPolarHBondContact O-CB 3.4Å; T330-S335 PolarHBondContact O-OG 3.37Å; T330-S337 VanDerWaalsContact CB-OG 3.25Å; T330-S337 WeakPolarHBondContact CB-OG 3.46Å; T330-S337 WeakPolarHBondContact CG2-OG 3.37Å; T330-S337 PolarHBondContact O-OG 3.12Å |
| 331 | Q | 51.8 | Low | 48.7 | Very low | 50 Ų | 50 | 88.4 Ų | 88.4 | 23% | 0.234 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -93.9 | -12.1 | 172.2 | -61.8 | -146.2 | 45.9 | 0 | 0 | 113.3 | S317 C327 A328 L329 W338 | S317-Q331 PolarHBondContact O-NE2 2.97Å; C327-Q331 PolarHBondContact O-N 3.11Å; C327-Q331 VanDerWaalsContact O-N 3.14Å; A328-Q331 CarbonylContact O-C 3.55Å; A328-Q331 WeakPolarHBondContact O-CA 3.26Å; A328-Q331 PolarHBondContact O-N 2.78Å; L329-Q331 VanDerWaalsContact C-N 3.35Å; Q331-W338 HydrophobicContact CG-CZ2 3.79Å |
| 332 | L | 47.6 | Very low | 47.5 | Very low | 83 Ų | 83 | 89.9 Ų | 89.9 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -62.5 | 144.9 | 177.9 | -84.4 | 174.3 | 0 | 0 | 0 | 110.7 | A328 L329 G334 S335 | A328-L332 WeakPolarHBondContact O-CG 3.5Å; A328-L332 PolarHBondContact O-N 3.07Å; L329-L332 HydrophobicContact CD2-CD1 3.52Å; L332-G334 PolarHBondContact O-N 3.34Å; L332-S335 PolarHBondContact O-N 2.93Å; L332-S335 VanDerWaalsContact O-N 3.16Å |
| 333 | P | 43.8 | Very low | 46.1 | Very low | 41 Ų | 41 | 90.2 Ų | 90.2 | 27% | 0.266 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 107.2 | -178.5 | -17.3 | 28.5 | 0 | 0 | 0 | 109.3 | R233 | R233-P333 HydrophobicContact CB-CB 3.55Å; R233-P333 HydrophobicContact CG-CB 4.46Å; R233-P333 PolarHBondContact NE-O 3.45Å; R233-P333 PolarHBondContact NH2-O 3.46Å; R233-P333 WeakPolarHBondContact O-CA 3.45Å; R233-P333 WeakPolarHBondContact O-CB 3.34Å |
| 334 | G | 42.3 | Very low | 45.1 | Very low | 70 Ų | 70 | 91.5 Ų | 91.5 | 72% | 0.722 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.7 | -2.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L332 | L332-G334 PolarHBondContact O-N 3.34Š|
| 335 | S | 37.4 | Very low | 43.9 | Very low | 45 Ų | 45 | 96 Ų | 96 | 32% | 0.315 | 55% | 0.549 | S | S | . | . | trans | -89.9 | 120.2 | 168 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L329 T330 L332 S337 | L329-S335 WeakPolarHBondContact O-CB 3.42Å; T330-S335 WeakPolarHBondContact CA-OG 3.16Å; T330-S335 WeakPolarHBondContact O-CB 3.4Å; T330-S335 PolarHBondContact O-OG 3.37Å; L332-S335 PolarHBondContact O-N 2.93Å; L332-S335 VanDerWaalsContact O-N 3.16Å; S335-S337 PolarHBondContact O-N 2.95Å; S335-S337 PolarHBondContact OG-OG 3.31Å; S335-S337 VanDerWaalsContact OG-OG 3.14Å | ||
| 336 | S | 37.9 | Very low | 43 | Very low | 123 Ų | 123 | 99.5 Ų | 99.5 | 86% | 0.86 | 56% | 0.563 | S | S | * | * | trans | -73.7 | 24.7 | -174.6 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 337 | S | 42 | Very low | 41.9 | Very low | 61 Ų | 61 | 102.1 Ų | 102.1 | 43% | 0.427 | 58% | 0.579 | S | S | . | * | trans | -97.6 | 0.4 | -165.6 | 55.2 | 0 | 0 | 0 | 0 | 116.6 | T330 S335 Q339 | T330-S337 VanDerWaalsContact CB-OG 3.25Å; T330-S337 WeakPolarHBondContact CB-OG 3.46Å; T330-S337 WeakPolarHBondContact CG2-OG 3.37Å; T330-S337 PolarHBondContact O-OG 3.12Å; S335-S337 PolarHBondContact O-N 2.95Å; S335-S337 PolarHBondContact OG-OG 3.31Å; S335-S337 VanDerWaalsContact OG-OG 3.14Å; S337-Q339 PolarHBondContact O-N 3.49Å | ||
| 338 | W | 35.7 | Very low | 40.8 | Very low | 148 Ų | 148 | 105.6 Ų | 105.6 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | trans | -83.7 | 57.4 | 173.7 | -70.9 | 89.5 | 0 | 0 | 0 | 112.4 | Q331 | Q331-W338 HydrophobicContact CG-CZ2 3.79Š| ||
| 339 | Q | 35.2 | Very low | 39.8 | Very low | 178 Ų | 178 | 108.9 Ų | 108.9 | 83% | 0.832 | 64% | 0.635 | S | S | * | * | trans | -103.9 | 66.2 | 157.5 | -77.6 | -169.8 | -25.5 | 0 | 0 | 109.2 | S337 R341 | S337-Q339 PolarHBondContact O-N 3.49Å; Q339-R341 PolarHBondContact O-N 3.1Å | ||
| 340 | R | 33.1 | Very low | 39.3 | Very low | 210 Ų | 210 | 108.2 Ų | 108.2 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | trans | -83 | 72.1 | 166.3 | -140.1 | -163.5 | -68.2 | -152.3 | 4.7 | 110.2 | ||||
| 341 | R | 43.9 | Very low | 39.1 | Very low | 237 Ų | 237 | 117 Ų | 117 | 89% | 0.894 | 67% | 0.667 | S | S | * | * | trans | 17.8 | 98.6 | 141.3 | -151.5 | 179 | -66.5 | -128.8 | 2 | 117 | Q339 | Q339-R341 PolarHBondContact O-N 3.1Š| ||
| 342 | S | 35.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -145.9 | 67.4 | 156.2 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 343 | S | 31.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -169 | 144.8 | 155.3 | 8.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 344 | P | 40 | Very low | 38.9 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 158.1 | 177 | 29.4 | -33 | 0 | 0 | 0 | 110.7 | V346 | P344-V346 PolarHBondContact O-N 3.27Š| ||
| 345 | P | 35.1 | Very low | 39.4 | Very low | 126 Ų | 126 | 122 Ų | 122 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -72.1 | 99.7 | -170.2 | 30.1 | -33.6 | 0 | 0 | 0 | 110.4 | S347 | P345-S347 PolarHBondContact O-N 3.49Š| ||
| 346 | V | 35.9 | Very low | 40.5 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -76.4 | 109.7 | 155.8 | 179.4 | 0 | 0 | 0 | 0 | 106 | P344 A348 | P344-V346 PolarHBondContact O-N 3.27Å; V346-A348 PolarHBondContact O-N 3.37Å | ||
| 347 | S | 33.1 | Very low | 41.7 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -57 | 96.2 | 173.2 | -74.6 | 0 | 0 | 0 | 0 | 110.1 | P345 A349 | P345-S347 PolarHBondContact O-N 3.49Å; S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 2.92Å | ||
| 348 | A | 36.6 | Very low | 42.7 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | trans | -75.4 | 84.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | V346 S350 | V346-A348 PolarHBondContact O-N 3.37Å; A348-S350 VanDerWaalsContact C-N 3.31Å; A348-S350 PolarHBondContact O-N 2.75Å | ||
| 349 | A | 34.3 | Very low | 44.2 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | trans | -67 | 97.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | S347 R351 | S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 2.92Å; A349-R351 VanDerWaalsContact C-N 3.27Å; A349-R351 PolarHBondContact O-N 3.27Å | ||
| 350 | S | 41.3 | Very low | 45.6 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | trans | -64.4 | 85.2 | 171.2 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | A348 L352 | A348-S350 VanDerWaalsContact C-N 3.31Å; A348-S350 PolarHBondContact O-N 2.75Å; S350-L352 PolarHBondContact O-N 3.33Å | ||
| 351 | R | 47.4 | Very low | 47.6 | Very low | 239 Ų | 239 | 121 Ų | 121 | 90% | 0.902 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 40.9 | 168.1 | -68.3 | -171.3 | -178.3 | -135 | 2.8 | 112.5 | A349 | A349-R351 VanDerWaalsContact C-N 3.27Å; A349-R351 PolarHBondContact O-N 3.27Å |
| 352 | L | 45.1 | Very low | 48.9 | Very low | 115 Ų | 115 | 114.5 Ų | 114.5 | 60% | 0.602 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 6.7 | -178.4 | -97.2 | 143.6 | 0 | 0 | 0 | 113.9 | S350 | S350-L352 PolarHBondContact O-N 3.33Š|
| 353 | C | 44.6 | Very low | 51.1 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 70% | 0.703 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -1.6 | 173 | -85.1 | 0 | 0 | 0 | 0 | 115 | L357 | C353-L357 WeakPolarHBondContact O-CB 3.33Š|
| 354 | S | 49.1 | Very low | 53.2 | Low | 63 Ų | 63 | 113 Ų | 113 | 44% | 0.441 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | -39 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 112.8 | R358 | S354-R358 WeakPolarHBondContact O-CB 3.35Å; S354-R358 WeakPolarHBondContact O-CD 3.38Å; S354-R358 WeakPolarHBondContact O-CG 3.31Å; S354-R358 PolarHBondContact O-N 3.16Å; S354-R358 VanDerWaalsContact O-N 3.12Å; S354-R358 PolarHBondContact OG-NE 2.81Å |
| 355 | S | 53 | Low | 54.9 | Low | 67 Ų | 67 | 112.1 Ų | 112.1 | 47% | 0.469 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.8 | -41 | -174.8 | 55.3 | 0 | 0 | 0 | 0 | 113 | R358 L359 | S355-R358 PolarHBondContact O-N 2.72Å; S355-L359 WeakPolarHBondContact O-CB 3.32Å; S355-L359 PolarHBondContact O-N 2.96Å |
| 356 | R | 60.7 | Low | 56.8 | Low | 188 Ų | 188 | 111.2 Ų | 111.2 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.9 | -38.2 | 179.3 | -64.7 | -171.3 | 179 | -135.1 | 1 | 112.2 | L359 C360 | R356-L359 PolarHBondContact O-N 3.42Å; R356-C360 WeakPolarHBondContact O-CB 3.43Å; R356-C360 PolarHBondContact O-N 3.23Å; R356-C360 PolarHBondContact O-SG 3.04Å |
| 357 | L | 63.4 | Low | 58.8 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -38.1 | 177.4 | -150 | 149.7 | 0 | 0 | 0 | 111.2 | C353 C360 V361 | C353-L357 WeakPolarHBondContact O-CB 3.33Å; L357-C360 PolarHBondContact O-N 3.47Å; L357-V361 HydrophobicContact CD2-CG2 4.13Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 VanDerWaalsContact O-CG2 3.27Å; L357-V361 WeakPolarHBondContact O-CG2 3.32Å; L357-V361 PolarHBondContact O-N 3.4Å |
| 358 | R | 61.5 | Low | 60.5 | Low | 176 Ų | 176 | 110.6 Ų | 110.6 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -40.2 | 171.6 | -74.6 | 174.6 | -177 | -159.2 | -0.5 | 112.9 | S354 S355 V361 L362 | S354-R358 WeakPolarHBondContact O-CB 3.35Å; S354-R358 WeakPolarHBondContact O-CD 3.38Å; S354-R358 WeakPolarHBondContact O-CG 3.31Å; S354-R358 PolarHBondContact O-N 3.16Å; S354-R358 VanDerWaalsContact O-N 3.12Å; S354-R358 PolarHBondContact OG-NE 2.81Å; S355-R358 PolarHBondContact O-N 2.72Å; R358-V361 PolarHBondContact O-N 3.46Å; R358-L362 WeakPolarHBondContact O-CB 3.42Å; R358-L362 PolarHBondContact O-N 2.76Å |
| 359 | L | 68.8 | Low | 62.2 | Low | 118 Ų | 118 | 109 Ų | 109 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.6 | -44.9 | 175.7 | -162.3 | 85.3 | 0 | 0 | 0 | 110.9 | S355 R356 L362 V363 | S355-L359 WeakPolarHBondContact O-CB 3.32Å; S355-L359 PolarHBondContact O-N 2.96Å; R356-L359 PolarHBondContact O-N 3.42Å; L359-L362 PolarHBondContact O-N 3.23Å; L359-V363 VanDerWaalsContact O-CG2 3.28Å; L359-V363 WeakPolarHBondContact O-CG2 3.5Å; L359-V363 PolarHBondContact O-N 2.86Å |
| 360 | C | 64.5 | Low | 64 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 52% | 0.52 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.6 | -42.8 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | R356 L357 V363 L364 | R356-C360 WeakPolarHBondContact O-CB 3.43Å; R356-C360 PolarHBondContact O-N 3.23Å; R356-C360 PolarHBondContact O-SG 3.04Å; L357-C360 PolarHBondContact O-N 3.47Å; C360-V363 PolarHBondContact O-N 3.22Å; C360-L364 WeakPolarHBondContact O-CB 3.25Å; C360-L364 VanDerWaalsContact O-CG 3.29Å; C360-L364 WeakPolarHBondContact O-CG 3.29Å; C360-L364 PolarHBondContact O-N 2.93Å |
| 361 | V | 74.3 | Confident | 65.3 | Low | 70 Ų | 70 | 109 Ų | 109 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -40.8 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L357 R358 L364 I365 | L357-V361 HydrophobicContact CD2-CG2 4.13Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 VanDerWaalsContact O-CG2 3.27Å; L357-V361 WeakPolarHBondContact O-CG2 3.32Å; L357-V361 PolarHBondContact O-N 3.4Å; R358-V361 PolarHBondContact O-N 3.46Å; V361-L364 PolarHBondContact O-N 3.17Å; V361-I365 HydrophobicContact CG1-CD1 3.77Å; V361-I365 HydrophobicContact CG1-CG1 4.4Å; V361-I365 VanDerWaalsContact O-CG1 3.27Å; V361-I365 WeakPolarHBondContact O-CG1 3.13Å; V361-I365 PolarHBondContact O-N 3.49Å |
| 362 | L | 71.4 | Confident | 66 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.3 | -86.5 | 165.3 | 0 | 0 | 0 | 112.4 | R358 L359 L364 I365 L366 | R358-L362 WeakPolarHBondContact O-CB 3.42Å; R358-L362 PolarHBondContact O-N 2.76Å; L359-L362 PolarHBondContact O-N 3.23Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.43Å; L362-I365 PolarHBondContact O-N 2.9Å; L362-L366 WeakPolarHBondContact O-CB 3.18Å; L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.46Å |
| 363 | V | 81.9 | Confident | 66.5 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L359 C360 L366 L367 | L359-V363 VanDerWaalsContact O-CG2 3.28Å; L359-V363 WeakPolarHBondContact O-CG2 3.5Å; L359-V363 PolarHBondContact O-N 2.86Å; C360-V363 PolarHBondContact O-N 3.22Å; V363-L366 PolarHBondContact O-N 2.9Å; V363-L367 VanDerWaalsContact O-CB 3.31Å; V363-L367 WeakPolarHBondContact O-CB 3.45Å; V363-L367 PolarHBondContact O-N 3.47Å |
| 364 | L | 74.4 | Confident | 67.1 | Low | 101 Ų | 101 | 100.6 Ų | 100.6 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.7 | -72.5 | 170.4 | 0 | 0 | 0 | 112.6 | C360 V361 L362 L367 H368 | C360-L364 WeakPolarHBondContact O-CB 3.25Å; C360-L364 VanDerWaalsContact O-CG 3.29Å; C360-L364 WeakPolarHBondContact O-CG 3.29Å; C360-L364 PolarHBondContact O-N 2.93Å; V361-L364 PolarHBondContact O-N 3.17Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.43Å; L364-L367 PolarHBondContact O-N 2.94Å; L364-H368 WeakPolarHBondContact O-CB 3.5Å; L364-H368 PolarHBondContact O-N 3.39Å |
| 365 | I | 75.8 | Confident | 67.2 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.1 | -68.6 | 166.6 | 0 | 0 | 0 | 110.1 | V361 L362 L367 H368 T369 | V361-I365 HydrophobicContact CG1-CD1 3.77Å; V361-I365 HydrophobicContact CG1-CG1 4.4Å; V361-I365 VanDerWaalsContact O-CG1 3.27Å; V361-I365 WeakPolarHBondContact O-CG1 3.13Å; V361-I365 PolarHBondContact O-N 3.49Å; L362-I365 PolarHBondContact O-N 2.9Å; I365-L367 VanDerWaalsContact C-N 3.33Å; I365-L367 PolarHBondContact O-N 3.22Å; I365-H368 PolarHBondContact O-N 3.12Å; I365-T369 HydrophobicContact CG2-CG2 4.42Å; I365-T369 WeakPolarHBondContact O-CG2 3.41Å; I365-T369 PolarHBondContact O-N 3.33Å; I365-T369 PolarHBondContact O-OG1 2.73Å |
| 366 | L | 74.8 | Confident | 67.1 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 178 | -73.2 | 170.3 | 0 | 0 | 0 | 111.2 | L362 V363 H368 T369 V370 | L362-L366 WeakPolarHBondContact O-CB 3.18Å; L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.46Å; V363-L366 PolarHBondContact O-N 2.9Å; L366-H368 PolarHBondContact O-N 3.47Å; L366-T369 WeakPolarHBondContact CA-OG1 3.34Å; L366-T369 PolarHBondContact O-N 3.04Å; L366-T369 PolarHBondContact O-OG1 3.27Å; L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 3.01Å |
| 367 | L | 79 | Confident | 66.6 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.3 | -161.6 | 74.6 | 0 | 0 | 0 | 111.6 | V363 L364 I365 T369 V370 V371 | V363-L367 VanDerWaalsContact O-CB 3.31Å; V363-L367 WeakPolarHBondContact O-CB 3.45Å; V363-L367 PolarHBondContact O-N 3.47Å; L364-L367 PolarHBondContact O-N 2.94Å; I365-L367 VanDerWaalsContact C-N 3.33Å; I365-L367 PolarHBondContact O-N 3.22Å; L367-T369 VanDerWaalsContact C-N 3.34Å; L367-T369 PolarHBondContact O-N 3.02Å; L367-V370 PolarHBondContact O-N 3.37Å; L367-V371 WeakPolarHBondContact O-CG2 3.26Å; L367-V371 PolarHBondContact O-N 3.2Å |
| 368 | H | 69.3 | Low | 65.7 | Low | 138 Ų | 138 | 101.7 Ų | 101.7 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -39.4 | 175.2 | -107.6 | -73.8 | 0 | 0 | 0 | 112.7 | L364 I365 L366 S372 | L364-H368 WeakPolarHBondContact O-CB 3.5Å; L364-H368 PolarHBondContact O-N 3.39Å; I365-H368 PolarHBondContact O-N 3.12Å; L366-H368 PolarHBondContact O-N 3.47Å; H368-S372 WeakPolarHBondContact O-CB 3.38Å; H368-S372 PolarHBondContact O-N 3.5Å; H368-S372 PolarHBondContact O-OG 3.07Å |
| 369 | T | 70.8 | Confident | 64.8 | Low | 58 Ų | 58 | 97.7 Ų | 97.7 | 36% | 0.356 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -44 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | I365 L366 L367 V371 S372 F373 | I365-T369 HydrophobicContact CG2-CG2 4.42Å; I365-T369 WeakPolarHBondContact O-CG2 3.41Å; I365-T369 PolarHBondContact O-N 3.33Å; I365-T369 PolarHBondContact O-OG1 2.73Å; L366-T369 WeakPolarHBondContact CA-OG1 3.34Å; L366-T369 PolarHBondContact O-N 3.04Å; L366-T369 PolarHBondContact O-OG1 3.27Å; L367-T369 VanDerWaalsContact C-N 3.34Å; L367-T369 PolarHBondContact O-N 3.02Å; T369-V371 PolarHBondContact O-N 3.06Å; T369-S372 PolarHBondContact O-N 3.05Å; T369-F373 VanDerWaalsContact O-CD2 3.26Å; T369-F373 WeakPolarHBondContact O-CD2 3.46Å; T369-F373 PolarHBondContact O-N 3.48Å |
| 370 | V | 71.9 | Confident | 63.6 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62 | -45.4 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L366 L367 S372 F373 S374 | L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 3.01Å; L367-V370 PolarHBondContact O-N 3.37Å; V370-S372 VanDerWaalsContact C-N 3.33Å; V370-S372 PolarHBondContact O-N 3.36Å; V370-F373 PolarHBondContact O-N 3.26Å; V370-S374 WeakPolarHBondContact O-CB 3.25Å; V370-S374 PolarHBondContact O-N 3Å; V370-S374 PolarHBondContact O-OG 3Å |
| 371 | V | 68.9 | Low | 62.6 | Low | 83 Ų | 83 | 95.8 Ų | 95.8 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -41.5 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L367 T369 S374 T375 | L367-V371 WeakPolarHBondContact O-CG2 3.26Å; L367-V371 PolarHBondContact O-N 3.2Å; T369-V371 PolarHBondContact O-N 3.06Å; V371-S374 PolarHBondContact O-N 3.35Å; V371-T375 WeakPolarHBondContact O-CG2 3.24Å; V371-T375 PolarHBondContact O-N 3.39Å; V371-T375 PolarHBondContact O-OG1 3.41Å |
| 372 | S | 62.9 | Low | 60.8 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.2 | -42.8 | 179.9 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | H368 T369 V370 T375 V376 | H368-S372 WeakPolarHBondContact O-CB 3.38Å; H368-S372 PolarHBondContact O-N 3.5Å; H368-S372 PolarHBondContact O-OG 3.07Å; T369-S372 PolarHBondContact O-N 3.05Å; V370-S372 VanDerWaalsContact C-N 3.33Å; V370-S372 PolarHBondContact O-N 3.36Å; S372-T375 WeakPolarHBondContact CA-OG1 3.13Å; S372-T375 PolarHBondContact O-N 3.19Å; S372-T375 PolarHBondContact O-OG1 2.92Å; S372-V376 WeakPolarHBondContact O-CG2 3.26Å; S372-V376 PolarHBondContact O-N 3.47Å |
| 373 | F | 55.7 | Low | 58.8 | Low | 154 Ų | 154 | 98.3 Ų | 98.3 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.3 | -35.9 | 175.7 | -84.3 | -75.7 | 0 | 0 | 0 | 112.4 | T369 V370 T375 V376 Q377 | T369-F373 VanDerWaalsContact O-CD2 3.26Å; T369-F373 WeakPolarHBondContact O-CD2 3.46Å; T369-F373 PolarHBondContact O-N 3.48Å; V370-F373 PolarHBondContact O-N 3.26Å; F373-T375 VanDerWaalsContact C-N 3.33Å; F373-T375 PolarHBondContact O-N 2.95Å; F373-V376 PolarHBondContact O-N 2.97Å; F373-Q377 WeakPolarHBondContact O-CB 3.49Å; F373-Q377 PolarHBondContact O-N 2.86Å |
| 374 | S | 56.5 | Low | 56.5 | Low | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.3 | -33.1 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | V370 V371 S378 | V370-S374 WeakPolarHBondContact O-CB 3.25Å; V370-S374 PolarHBondContact O-N 3Å; V370-S374 PolarHBondContact O-OG 3Å; V371-S374 PolarHBondContact O-N 3.35Å; S374-S378 PolarHBondContact O-N 3.24Å |
| 375 | T | 51.9 | Low | 54.6 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.4 | -32.9 | 174.7 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | V371 S372 F373 S379 | V371-T375 WeakPolarHBondContact O-CG2 3.24Å; V371-T375 PolarHBondContact O-N 3.39Å; V371-T375 PolarHBondContact O-OG1 3.41Å; S372-T375 WeakPolarHBondContact CA-OG1 3.13Å; S372-T375 PolarHBondContact O-N 3.19Å; S372-T375 PolarHBondContact O-OG1 2.92Å; F373-T375 VanDerWaalsContact C-N 3.33Å; F373-T375 PolarHBondContact O-N 2.95Å; T375-S379 PolarHBondContact O-OG 3.2Å; T375-S379 VanDerWaalsContact O-OG 3.06Å |
| 376 | V | 50.9 | Low | 52.6 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.7 | -36.8 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | S372 F373 S378 S379 | S372-V376 WeakPolarHBondContact O-CG2 3.26Å; S372-V376 PolarHBondContact O-N 3.47Å; F373-V376 PolarHBondContact O-N 2.97Å; V376-S378 VanDerWaalsContact C-N 3.32Å; V376-S378 PolarHBondContact O-N 3.17Å; V376-S379 PolarHBondContact O-N 3.46Å; V376-S379 PolarHBondContact O-OG 3.36Å |
| 377 | Q | 49.4 | Very low | 50.6 | Low | 168 Ų | 168 | 109.3 Ų | 109.3 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.6 | -24.5 | 178.4 | -154.5 | 161.6 | 42.5 | 0 | 0 | 112.8 | F373 S379 | F373-Q377 WeakPolarHBondContact O-CB 3.49Å; F373-Q377 PolarHBondContact O-N 2.86Å; Q377-S379 VanDerWaalsContact C-N 3.34Å |
| 378 | S | 44.3 | Very low | 48.4 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -14.1 | 174.2 | -172 | 0 | 0 | 0 | 0 | 114 | S374 V376 | S374-S378 PolarHBondContact O-N 3.24Å; V376-S378 VanDerWaalsContact C-N 3.32Å; V376-S378 PolarHBondContact O-N 3.17Å |
| 379 | S | 44.5 | Very low | 47.1 | Very low | 93 Ų | 93 | 109.3 Ų | 109.3 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 3.4 | -179.8 | 43.6 | 0 | 0 | 0 | 0 | 114.5 | T375 V376 Q377 | T375-S379 PolarHBondContact O-OG 3.2Å; T375-S379 VanDerWaalsContact O-OG 3.06Å; V376-S379 PolarHBondContact O-N 3.46Å; V376-S379 PolarHBondContact O-OG 3.36Å; Q377-S379 VanDerWaalsContact C-N 3.34Å |
| 380 | G | 43 | Very low | 44.9 | Very low | 71 Ų | 71 | 114.4 Ų | 114.4 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -96.4 | 12.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 381 | A | 44.1 | Very low | 43.6 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | trans | -134.3 | 62 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | V | 34.6 | Very low | 41.8 | Very low | 151 Ų | 151 | 117.3 Ų | 117.3 | 92% | 0.915 | 72% | 0.715 | S | S | * | * | trans | -154 | 109.9 | 152.9 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 383 | G | 31.3 | Very low | 40.2 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | 75.1 | 147.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 384 | L | 32.3 | Very low | 38.9 | Very low | 160 Ų | 160 | 122 Ų | 122 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | cis | -171.3 | 143.7 | -3.6 | -167.6 | 73 | 0 | 0 | 0 | 106.3 | ||||
| 385 | E | 35.1 | Very low | 37.6 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | 9.1 | 129.3 | 161.5 | -61.7 | -165.9 | 138.5 | 0 | 0 | 122.4 | ||||
| 386 | A | 33.5 | Very low | 36.7 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -150.4 | 98.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 387 | M | 31.8 | Very low | 35.8 | Very low | 180 Ų | 180 | 124.8 Ų | 124.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 42.7 | 107.1 | 144.5 | -61.2 | 174.1 | -167.4 | 0 | 0 | 122 | ||||
| 388 | V | 33.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | 56 | 145.8 | 114.9 | 176.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 389 | P | 41.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -141.2 | 159.4 | -36.6 | 39.1 | -19.1 | 0 | 0 | 0 | 116.6 | ||||
| 390 | L | 26.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 57.4 | 167.9 | 144.7 | -73.1 | 169.4 | 0 | 0 | 0 | 121.4 | ||||
| 391 | P | 44.3 | Very low | 33.5 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | cis | -137 | -168.5 | -21.2 | 28.5 | -4.6 | 0 | 0 | 0 | 114.2 | ||||
| 392 | L | 30.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | 92.4 | 104.4 | 158.2 | -62 | 170.4 | 0 | 0 | 0 | 116.2 | ||||
| 393 | E | 29.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | 106.9 | 145.9 | 89.3 | -94.9 | -167.1 | 170.3 | 0 | 0 | 107.8 | |||||
| 394 | E | 29.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | cis | -169.3 | 153.8 | 4.7 | 162.8 | 158.8 | -174.3 | 0 | 0 | 107 | ||||
| 395 | S | 29.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 52.6 | 121.9 | 151.2 | -170.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 396 | S | 32.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -163.9 | 108.8 | 119.3 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 397 | A | 31.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 139 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 398 | R | 30.1 | Very low | 32.8 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | 67.1 | 151.9 | 166.5 | -86.4 | 177.9 | 177.9 | 163.9 | -1.9 | 115.7 | ||||
| 399 | E | 31.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | cis | -146.1 | 167.4 | 16.4 | -105.2 | 137 | -172.6 | 0 | 0 | 105.5 | ||||
| 400 | E | 36.2 | Very low | 31.9 | Very low | 262 Ų | 262 | 151.9 Ų | 151.9 | 100% | 1.224 | 80% | 0.799 | S | S | * | * | cis | -165.9 | 0 | 41 | -153.6 | 174.3 | 164.3 | 0 | 0 | 109.1 |
Retrieved 400 of 400 residues in 154 ms
(Link to these results)