| 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 | 44.2 | Very low | 48.6 | Very low | 239 Ų | 239 | 146.3 Ų | 146.3 | 100% | 1.177 | 85% | 0.849 | S | S | * | * | 0 | 102.7 | 0 | -73.4 | -73.8 | 167.4 | 0 | 0 | 106.6 | |||||
| 2 | H | 42.1 | Very low | 48.4 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 82% | 0.819 | 84% | 0.842 | S | S | * | * | trans | -74.9 | 143.7 | 178.8 | -72.9 | 82.2 | 0 | 0 | 0 | 109.5 | ||||
| 3 | S | 53.6 | Low | 49 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -137 | 97.9 | 159.7 | -68.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | D | 45.4 | Very low | 49.4 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -66.9 | 135.5 | 167.2 | -63.9 | -63.4 | 0 | 0 | 0 | 110.2 | ||||
| 5 | S | 58.1 | Low | 49.6 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -112.5 | 105.6 | 164.1 | -71 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | S | 46.4 | Very low | 49.6 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 138.4 | -178.5 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | S | 48.9 | Very low | 49.6 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 66.6 | 123.3 | 149.4 | -140.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 8 | S | 49.8 | Very low | 49.5 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -154.5 | 125.3 | 81.2 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 9 | R | 49.4 | Very low | 49.5 | Very low | 239 Ų | 239 | 135.2 Ų | 135.2 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -81.8 | 115.2 | 171.7 | -59.5 | 167.2 | 87.3 | -173.6 | 6.8 | 108.3 | ||||
| 10 | S | 46.8 | Very low | 49.7 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -88.8 | 106.2 | 163.7 | 57 | 0 | 0 | 0 | 0 | 108.7 | S12 | S10-S12 PolarHBondContact O-N 3.15Š| ||
| 11 | S | 49.4 | Very low | 49.6 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -69.3 | 108 | 169.6 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | S | 47 | Very low | 49.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -96.4 | 125.4 | 166.1 | -164.2 | 0 | 0 | 0 | 0 | 108 | S10 D14 | S10-S12 PolarHBondContact O-N 3.15Å; S12-D14 PolarHBondContact O-N 3.2Å | ||
| 13 | P | 56.3 | Low | 49.7 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | trans | -68.8 | 128.3 | 171.6 | 27.3 | -29.7 | 0 | 0 | 0 | 109.2 | M15 | P13-M15 HydrophobicContact CB-CE 4.45Å; P13-M15 PolarHBondContact O-N 3.22Å | ||
| 14 | D | 53.8 | Low | 49.5 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -57.3 | 111 | 172.5 | -167.9 | -87.2 | 0 | 0 | 0 | 109.6 | S12 | S12-D14 PolarHBondContact O-N 3.2Š| ||
| 15 | M | 52.8 | Low | 49.5 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | trans | -112.6 | 11.2 | 176.1 | -71.5 | -70.6 | 169.9 | 0 | 0 | 111.8 | P13 G17 | P13-M15 HydrophobicContact CB-CE 4.45Å; P13-M15 PolarHBondContact O-N 3.22Å; M15-G17 VanDerWaalsContact C-N 3.32Å; M15-G17 PolarHBondContact O-N 3.4Å | ||
| 16 | D | 49.1 | Very low | 48.9 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -10.4 | -175 | -78.3 | -63.2 | 0 | 0 | 0 | 113.5 | ||
| 17 | G | 50 | Low | 48.8 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -21.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | M15 | M15-G17 VanDerWaalsContact C-N 3.32Å; M15-G17 PolarHBondContact O-N 3.4Å |
| 18 | M | 48.7 | Very low | 49.1 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 67% | 0.665 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -28 | -171.3 | -121.8 | -165.9 | 74.1 | 0 | 0 | 114.2 | ||
| 19 | Y | 49.6 | Very low | 49.1 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83.4 | -19.6 | -175.5 | -68 | -82.8 | 0 | 0 | 0 | 114 | R21 H23 | Y19-R21 VanDerWaalsContact C-N 3.34Å; Y19-H23 PolarHBondContact O-CD2 2.97Å |
| 20 | L | 52.4 | Low | 49.4 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78 | -18.8 | 177.3 | -117.5 | 85.8 | 0 | 0 | 0 | 113.6 | ||
| 21 | R | 47.6 | Very low | 49.8 | Very low | 205 Ų | 205 | 118.6 Ų | 118.6 | 77% | 0.774 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -89.1 | -29.1 | -171.4 | -162.6 | 161.3 | 174.9 | -149 | -2.6 | 113.6 | Y19 | Y19-R21 VanDerWaalsContact C-N 3.34Å |
| 22 | D | 42.5 | Very low | 50.1 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84 | -25.3 | -178.2 | -80.3 | -52 | 0 | 0 | 0 | 114 | L24 | D22-L24 PolarHBondContact O-N 3.28Å |
| 23 | H | 46.5 | Very low | 50.5 | Low | 147 Ų | 147 | 116.2 Ų | 116.2 | 68% | 0.681 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -15.7 | -179.7 | -77.7 | -61.7 | 0 | 0 | 0 | 114.9 | Y19 | Y19-H23 PolarHBondContact O-CD2 2.97Š|
| 24 | L | 49.6 | Very low | 50.6 | Low | 138 Ų | 138 | 117 Ų | 117 | 72% | 0.723 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -16.5 | 177.5 | -62.7 | 178.5 | 0 | 0 | 0 | 113.6 | D22 | D22-L24 PolarHBondContact O-N 3.28Š|
| 25 | N | 45.3 | Very low | 50.8 | Low | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -18.2 | -178 | -89.3 | 18.7 | 0 | 0 | 0 | 114.3 | V27 | N25-V27 PolarHBondContact O-N 3.46Š|
| 26 | S | 44.4 | Very low | 51 | Low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18.5 | -173.7 | -162.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 27 | V | 45.8 | Very low | 51.4 | Low | 93 Ų | 93 | 113 Ų | 113 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -5.4 | -178.9 | -153.7 | 0 | 0 | 0 | 0 | 113 | N25 | N25-V27 PolarHBondContact O-N 3.46Š|
| 28 | S | 54.1 | Low | 51.7 | Low | 41 Ų | 41 | 115.5 Ų | 115.5 | 29% | 0.287 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -91.3 | -13 | -162.2 | -149 | 0 | 0 | 0 | 0 | 115.4 | N32 | S28-N32 VanDerWaalsContact O-CB 3.31Å; S28-N32 WeakPolarHBondContact O-CB 3.38Å; S28-N32 PolarHBondContact O-N 2.99Å; S28-N32 PolarHBondContact O-ND2 3.18Å; S28-N32 PolarHBondContact OG-ND2 3.43Å |
| 29 | S | 49.9 | Very low | 52.1 | Low | 92 Ų | 92 | 110.3 Ų | 110.3 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.7 | -42.2 | -173.9 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 30 | T | 55.9 | Low | 52.3 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -84.9 | -30.6 | -178.4 | 54 | 0 | 0 | 0 | 0 | 113.3 | L34 | T30-L34 PolarHBondContact O-N 3.46Å |
| 31 | Q | 55.6 | Low | 52.2 | Low | 110 Ų | 110 | 105.5 Ų | 105.5 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 174.7 | -86.4 | -169.4 | -2.4 | 0 | 0 | 112.7 | L35 | Q31-L35 WeakPolarHBondContact O-CB 3.47Å; Q31-L35 PolarHBondContact O-N 3.38Å |
| 32 | N | 55.6 | Low | 52.3 | Low | 37 Ų | 37 | 103.1 Ų | 103.1 | 20% | 0.198 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 179.9 | -85.7 | -14.7 | 0 | 0 | 0 | 112.7 | S28 L35 Q36 R71 | S28-N32 VanDerWaalsContact O-CB 3.31Å; S28-N32 WeakPolarHBondContact O-CB 3.38Å; S28-N32 PolarHBondContact O-N 2.99Å; S28-N32 PolarHBondContact O-ND2 3.18Å; S28-N32 PolarHBondContact OG-ND2 3.43Å; N32-L35 PolarHBondContact O-N 2.92Å; N32-Q36 WeakPolarHBondContact O-CB 3.36Å; N32-Q36 WeakPolarHBondContact O-CG 3.38Å; N32-Q36 PolarHBondContact O-N 2.96Å; N32-R71 PolarHBondContact OD1-NH2 3.42Å |
| 33 | E | 55.2 | Low | 52.8 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -44.1 | 174.5 | -81.6 | -161 | 95.7 | 0 | 0 | 112.3 | L35 Q36 K37 | E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.3Å; E33-Q36 PolarHBondContact O-N 3.14Å; E33-K37 PolarHBondContact O-N 2.82Å |
| 34 | L | 58 | Low | 52.8 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -40.5 | 179.1 | -152.7 | 149.1 | 0 | 0 | 0 | 110.3 | T30 K37 M38 | T30-L34 PolarHBondContact O-N 3.46Å; L34-K37 VanDerWaalsContact O-CB 3.27Å; L34-K37 WeakPolarHBondContact O-CB 3.38Å; L34-K37 PolarHBondContact O-N 2.98Å; L34-M38 HydrophobicContact CD2-CE 4.33Å; L34-M38 HydrophobicContact CD2-CG 4.19Å; L34-M38 HydrophobicContact CD2-SD 3.75Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 3.11Å; L34-M38 VanDerWaalsContact O-N 3.12Å |
| 35 | L | 57.6 | Low | 52.8 | Low | 27 Ų | 27 | 107.1 Ų | 107.1 | 14% | 0.141 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -69.8 | -37.5 | 179.7 | -166.6 | 58.8 | 0 | 0 | 0 | 113.4 | Q31 N32 E33 K37 M38 T39 I67 R71 | Q31-L35 WeakPolarHBondContact O-CB 3.47Å; Q31-L35 PolarHBondContact O-N 3.38Å; N32-L35 PolarHBondContact O-N 2.92Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.3Å; L35-K37 PolarHBondContact O-N 2.95Å; L35-M38 HydrophobicContact CD1-CG 4.5Å; L35-M38 PolarHBondContact O-N 2.97Å; L35-M38 VanDerWaalsContact O-N 3.12Å; L35-T39 PolarHBondContact O-N 2.9Å; L35-T39 PolarHBondContact O-OG1 2.84Å; L35-I67 HydrophobicContact CD2-CG2 3.29Å; L35-I67 HydrophobicContact CG-CG2 4.21Å; L35-R71 HydrophobicContact CD2-CG 3.81Å |
| 36 | Q | 57.5 | Low | 52.9 | Low | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.8 | -35.7 | 171 | -84.3 | -178.8 | 24 | 0 | 0 | 112.1 | N32 E33 T39 S40 | N32-Q36 WeakPolarHBondContact O-CB 3.36Å; N32-Q36 WeakPolarHBondContact O-CG 3.38Å; N32-Q36 PolarHBondContact O-N 2.96Å; E33-Q36 PolarHBondContact O-N 3.14Å; Q36-T39 WeakPolarHBondContact CA-OG1 3.44Å; Q36-T39 PolarHBondContact O-OG1 3.26Å; Q36-S40 PolarHBondContact O-N 3.21Å |
| 37 | K | 56.9 | Low | 52.6 | Low | 152 Ų | 152 | 107.6 Ų | 107.6 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -42.6 | 173.3 | -159.1 | 92.9 | 175.5 | -115.5 | 0 | 111.2 | E33 L34 L35 E41 | E33-K37 PolarHBondContact O-N 2.82Å; L34-K37 VanDerWaalsContact O-CB 3.27Å; L34-K37 WeakPolarHBondContact O-CB 3.38Å; L34-K37 PolarHBondContact O-N 2.98Å; L35-K37 PolarHBondContact O-N 2.95Å; K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.44Å |
| 38 | M | 57.7 | Low | 52.5 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | 179.8 | -44.1 | -56.8 | -98 | 0 | 0 | 113.2 | L34 L35 E41 H42 | L34-M38 HydrophobicContact CD2-CE 4.33Å; L34-M38 HydrophobicContact CD2-CG 4.19Å; L34-M38 HydrophobicContact CD2-SD 3.75Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 3.11Å; L34-M38 VanDerWaalsContact O-N 3.12Å; L35-M38 HydrophobicContact CD1-CG 4.5Å; L35-M38 PolarHBondContact O-N 2.97Å; L35-M38 VanDerWaalsContact O-N 3.12Å; M38-E41 PolarHBondContact O-N 3.41Å; M38-H42 PolarHBondContact O-N 3.14Å; M38-H42 VanDerWaalsContact O-N 3.15Å |
| 39 | T | 56.6 | Low | 52 | Low | 27 Ų | 27 | 119.8 Ų | 119.8 | 17% | 0.166 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -70.2 | -36.8 | 178.3 | 19.9 | 0 | 0 | 0 | 0 | 112.4 | L35 Q36 E41 H42 L43 L70 | L35-T39 PolarHBondContact O-N 2.9Å; L35-T39 PolarHBondContact O-OG1 2.84Å; Q36-T39 WeakPolarHBondContact CA-OG1 3.44Å; Q36-T39 PolarHBondContact O-OG1 3.26Å; T39-E41 VanDerWaalsContact C-N 3.27Å; T39-E41 PolarHBondContact O-N 2.77Å; T39-H42 PolarHBondContact O-N 3.09Å; T39-L43 PolarHBondContact O-N 3.08Å; T39-L70 HydrophobicContact CG2-CD2 3.21Å |
| 40 | S | 54 | Low | 51.3 | Low | 73 Ų | 73 | 120.9 Ų | 120.9 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.3 | -38 | 175 | -172.8 | 0 | 0 | 0 | 0 | 112 | Q36 S44 | Q36-S40 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-OG 3.13Å; S40-S44 VanDerWaalsContact O-OG 3.1Å |
| 41 | E | 49 | Very low | 50.8 | Low | 132 Ų | 132 | 122.4 Ų | 122.4 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.6 | -37 | -178.9 | -65.2 | -65.7 | 124.1 | 0 | 0 | 112.6 | K37 M38 T39 S44 | K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.44Å; M38-E41 PolarHBondContact O-N 3.41Å; T39-E41 VanDerWaalsContact C-N 3.27Å; T39-E41 PolarHBondContact O-N 2.77Å; E41-S44 PolarHBondContact O-N 3.21Å |
| 42 | H | 51 | Low | 50 | Low | 155 Ų | 155 | 120.8 Ų | 120.8 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.9 | -27.2 | -178.7 | -168.2 | -87.4 | 0 | 0 | 0 | 113.4 | M38 T39 S44 | M38-H42 PolarHBondContact O-N 3.14Å; M38-H42 VanDerWaalsContact O-N 3.15Å; T39-H42 PolarHBondContact O-N 3.09Å; H42-S44 VanDerWaalsContact C-N 3.31Å |
| 43 | L | 52.8 | Low | 49.5 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.3 | -19.1 | 177.4 | -153.6 | 70.7 | 0 | 0 | 0 | 112.9 | T39 R45 | T39-L43 PolarHBondContact O-N 3.08Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.47Å |
| 44 | S | 45.3 | Very low | 48.8 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.8 | -178.5 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | S40 E41 H42 | S40-S44 PolarHBondContact O-OG 3.13Å; S40-S44 VanDerWaalsContact O-OG 3.1Å; E41-S44 PolarHBondContact O-N 3.21Å; H42-S44 VanDerWaalsContact C-N 3.31Å |
| 45 | R | 50.6 | Low | 48.1 | Very low | 230 Ų | 230 | 125.2 Ų | 125.2 | 87% | 0.868 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 1.5 | -173 | -111.3 | 178.9 | 173.1 | -90.9 | 1 | 115.8 | L43 | L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.47Å |
| 46 | H | 47.8 | Very low | 47.3 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | trans | -137 | 57.2 | -178.9 | -146.5 | -69 | 0 | 0 | 0 | 112.3 | ||||
| 47 | G | 38.5 | Very low | 47 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -109.7 | 94.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | E | 43.9 | Very low | 46.4 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -66.7 | 141.3 | 165.1 | -71.3 | -82.6 | 100.4 | 0 | 0 | 109.5 | ||||
| 49 | K | 41.8 | Very low | 46.1 | Very low | 211 Ų | 211 | 138 Ų | 138 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -58.2 | 134 | -175 | -83.6 | 167.5 | 170.4 | 171.7 | 0 | 113.3 | ||||
| 50 | S | 35.9 | Very low | 46.4 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -145.7 | 134.5 | 147.6 | -86.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 51 | P | 46.2 | Very low | 46.8 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -93.5 | 122.3 | -179.4 | 34.8 | -27.1 | 0 | 0 | 0 | 109.7 | ||||
| 52 | G | 38.2 | Very low | 47.9 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 165.5 | 113.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 53 | G | 45.2 | Very low | 49.7 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -60.7 | 143.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 54 | S | 40.2 | Very low | 51.4 | Low | 87 Ų | 87 | 138.6 Ų | 138.6 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -154.6 | 110.1 | 149.3 | -100.6 | 0 | 0 | 0 | 0 | 110 | Y56 | S54-Y56 PolarHBondContact O-N 3.42Å; S54-Y56 WeakPolarHBondContact OG-CE1 3.33Å | ||
| 55 | K | 43.6 | Very low | 53.6 | Low | 217 Ų | 217 | 141.5 Ų | 141.5 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | trans | -77.2 | 90.3 | 166.3 | -66.7 | -155.9 | -179.5 | -175.1 | 0 | 108.6 | ||||
| 56 | Y | 41.1 | Very low | 55.6 | Low | 168 Ų | 168 | 133.7 Ų | 133.7 | 66% | 0.659 | 71% | 0.712 | S | S | * | * | trans | -157.4 | 122.2 | 149.9 | 44.3 | -90.7 | 0 | 0 | 0 | 108.5 | S54 L58 | S54-Y56 PolarHBondContact O-N 3.42Å; S54-Y56 WeakPolarHBondContact OG-CE1 3.33Å; Y56-L58 HydrophobicContact CD2-CB 4.35Å; Y56-L58 PolarHBondContact O-N 3.36Å | ||
| 57 | K | 49.7 | Very low | 57.7 | Low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -62.7 | 86.5 | 167 | -74.1 | -175.6 | 173.9 | 178.1 | 0 | 108.1 | K59 | K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.86Å; K57-K59 VanDerWaalsContact O-N 3.09Å | ||
| 58 | L | 45.1 | Very low | 60.4 | Low | 132 Ų | 132 | 128 Ų | 128 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | trans | -78.2 | 89.9 | 160 | -170.1 | 67.1 | 0 | 0 | 0 | 106.2 | Y56 K60 | Y56-L58 HydrophobicContact CD2-CB 4.35Å; Y56-L58 PolarHBondContact O-N 3.36Å; L58-K60 PolarHBondContact O-N 3.01Å | ||
| 59 | K | 52.4 | Low | 62.9 | Low | 185 Ų | 185 | 125.3 Ų | 125.3 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | trans | -60.2 | 85.2 | 156.1 | -79.7 | -176.5 | 172.1 | -174 | 0 | 105.7 | K57 Q61 | K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.86Å; K57-K59 VanDerWaalsContact O-N 3.09Å; K59-Q61 VanDerWaalsContact C-N 3.3Å; K59-Q61 PolarHBondContact O-N 3.42Å | ||
| 60 | K | 62.5 | Low | 65.5 | Low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | trans | -63.3 | 100 | 171 | -163.9 | -172.4 | -175.5 | -150 | 0 | 104.6 | L58 V62 E66 | L58-K60 PolarHBondContact O-N 3.01Å; K60-V62 PolarHBondContact O-N 3.33Å; K60-E66 IonicContact NZ-OE1 3.95Å; K60-E66 PolarHBondContact NZ-OE1 3.23Å; K60-E66 VanDerWaalsContact NZ-OE1 3.15Å | ||
| 61 | Q | 63 | Low | 68.4 | Low | 176 Ų | 176 | 115.3 Ų | 115.3 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | trans | -61 | 109.3 | 172.7 | -65 | -149.1 | 61.7 | 0 | 0 | 105.6 | K59 T63 | K59-Q61 VanDerWaalsContact C-N 3.3Å; K59-Q61 PolarHBondContact O-N 3.42Å; Q61-T63 PolarHBondContact O-N 3.44Å; Q61-T63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | V | 71.5 | Confident | 70.8 | Confident | 61 Ų | 61 | 113.9 Ų | 113.9 | 37% | 0.37 | 58% | 0.581 | S | S | . | * | trans | -58.6 | 119.6 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 105.7 | K60 E66 I67 | K60-V62 PolarHBondContact O-N 3.33Å; V62-E66 WeakPolarHBondContact CA-OE2 3.28Å; V62-E66 HydrophobicContact CG1-CB 3.59Å; V62-I67 HydrophobicContact CB-CG1 4.3Å; V62-I67 HydrophobicContact CG1-CD1 4.41Å; V62-I67 HydrophobicContact CG1-CG1 3.55Å | ||
| 63 | T | 87.4 | Confident | 73.7 | Confident | 79 Ų | 79 | 117.4 Ų | 117.4 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | trans | -68.1 | 146.5 | -176.7 | -50 | 0 | 0 | 0 | 0 | 107.9 | Q61 Q65 E66 I67 | Q61-T63 PolarHBondContact O-N 3.44Å; Q61-T63 VanDerWaalsContact O-N 3.11Å; T63-Q65 HydrophobicContact CG2-CB 4.44Å; T63-Q65 PolarHBondContact O-N 2.91Å; T63-E66 PolarHBondContact N-OE2 2.9Å; T63-E66 WeakPolarHBondContact O-CA 3.46Å; T63-E66 WeakPolarHBondContact O-CB 3.47Å; T63-E66 PolarHBondContact O-N 2.97Å; T63-I67 PolarHBondContact O-N 3.42Å; T63-I67 VanDerWaalsContact O-N 3.14Å | ||
| 64 | E | 90.5 | Very high | 76.2 | Confident | 91 Ų | 91 | 118 Ų | 118 | 43% | 0.425 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -50 | -33.9 | 178.6 | -172.9 | 60.1 | -151.5 | 0 | 0 | 112.2 | I67 Q68 | E64-I67 WeakPolarHBondContact O-CB 3.32Å; E64-I67 PolarHBondContact O-N 3.35Å; E64-Q68 PolarHBondContact O-N 3.43Å |
| 65 | Q | 90.7 | Very high | 79 | Confident | 158 Ų | 158 | 117.9 Ų | 117.9 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 174.2 | -63.7 | -177.7 | -8.7 | 0 | 0 | 113.8 | T63 I67 Q68 H69 | T63-Q65 HydrophobicContact CG2-CB 4.44Å; T63-Q65 PolarHBondContact O-N 2.91Å; Q65-I67 VanDerWaalsContact C-N 3.33Å; Q65-Q68 PolarHBondContact O-N 2.88Å; Q65-H69 WeakPolarHBondContact O-CB 3.48Å; Q65-H69 PolarHBondContact O-N 3.25Å |
| 66 | E | 92.1 | Very high | 81.6 | Confident | 66 Ų | 66 | 108.9 Ų | 108.9 | 31% | 0.308 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 175.8 | -68.8 | 175.1 | 138.7 | 0 | 0 | 110.3 | K60 V62 T63 H69 L70 | K60-E66 IonicContact NZ-OE1 3.95Å; K60-E66 PolarHBondContact NZ-OE1 3.23Å; K60-E66 VanDerWaalsContact NZ-OE1 3.15Å; V62-E66 WeakPolarHBondContact CA-OE2 3.28Å; V62-E66 HydrophobicContact CG1-CB 3.59Å; T63-E66 PolarHBondContact N-OE2 2.9Å; T63-E66 WeakPolarHBondContact O-CA 3.46Å; T63-E66 WeakPolarHBondContact O-CB 3.47Å; T63-E66 PolarHBondContact O-N 2.97Å; E66-H69 PolarHBondContact O-N 3.47Å; E66-L70 WeakPolarHBondContact O-CD1 3.44Å; E66-L70 PolarHBondContact O-N 3.41Å |
| 67 | I | 92.9 | Very high | 84.3 | Confident | 14 Ų | 14 | 110.7 Ų | 110.7 | 7% | 0.072 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 174.4 | -59.2 | -176.7 | 0 | 0 | 0 | 110.4 | L35 V62 T63 E64 Q65 H69 L70 R71 | L35-I67 HydrophobicContact CD2-CG2 3.29Å; L35-I67 HydrophobicContact CG-CG2 4.21Å; V62-I67 HydrophobicContact CB-CG1 4.3Å; V62-I67 HydrophobicContact CG1-CD1 4.41Å; V62-I67 HydrophobicContact CG1-CG1 3.55Å; T63-I67 PolarHBondContact O-N 3.42Å; T63-I67 VanDerWaalsContact O-N 3.14Å; E64-I67 WeakPolarHBondContact O-CB 3.32Å; E64-I67 PolarHBondContact O-N 3.35Å; Q65-I67 VanDerWaalsContact C-N 3.33Å; I67-H69 VanDerWaalsContact C-N 3.34Å; I67-H69 PolarHBondContact O-N 3.41Å; I67-L70 WeakPolarHBondContact O-CB 3.44Å; I67-L70 PolarHBondContact O-N 3.1Å; I67-R71 WeakPolarHBondContact O-CG 3.4Å; I67-R71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 94.7 | Very high | 86.6 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | -179.7 | -166.7 | 141.7 | 13.4 | 0 | 0 | 112 | E64 Q65 L70 R71 L72 | E64-Q68 PolarHBondContact O-N 3.43Å; Q65-Q68 PolarHBondContact O-N 2.88Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 2.92Å; Q68-R71 PolarHBondContact O-N 2.81Å; Q68-L72 WeakPolarHBondContact O-CG 3.4Å; Q68-L72 PolarHBondContact O-N 3.25Å |
| 69 | H | 95.5 | Very high | 89.2 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 173.2 | -176.6 | -138.6 | 0 | 0 | 0 | 112 | Q65 E66 I67 L72 K73 | Q65-H69 WeakPolarHBondContact O-CB 3.48Å; Q65-H69 PolarHBondContact O-N 3.25Å; E66-H69 PolarHBondContact O-N 3.47Å; I67-H69 VanDerWaalsContact C-N 3.34Å; I67-H69 PolarHBondContact O-N 3.41Å; H69-L72 PolarHBondContact O-N 3.44Å; H69-K73 WeakPolarHBondContact O-CB 3.44Å; H69-K73 PolarHBondContact O-N 3.17Å |
| 70 | L | 96.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 29% | 0.293 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.9 | -102.1 | 69.1 | 0 | 0 | 0 | 112.3 | T39 E66 I67 Q68 L72 K73 I74 | T39-L70 HydrophobicContact CG2-CD2 3.21Å; E66-L70 WeakPolarHBondContact O-CD1 3.44Å; E66-L70 PolarHBondContact O-N 3.41Å; I67-L70 WeakPolarHBondContact O-CB 3.44Å; I67-L70 PolarHBondContact O-N 3.1Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 2.92Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.87Å; L70-K73 PolarHBondContact O-N 3.08Å; L70-I74 WeakPolarHBondContact O-CB 3.45Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.43Å |
| 71 | R | 96.8 | Very high | 93.1 | Very high | 60 Ų | 60 | 106.3 Ų | 106.3 | 23% | 0.226 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 175.2 | -70.1 | 177.2 | -177.2 | 174.7 | 2.9 | 111 | N32 L35 I67 Q68 I74 N75 | N32-R71 PolarHBondContact OD1-NH2 3.42Å; L35-R71 HydrophobicContact CD2-CG 3.81Å; I67-R71 WeakPolarHBondContact O-CG 3.4Å; I67-R71 PolarHBondContact O-N 2.93Å; Q68-R71 PolarHBondContact O-N 2.81Å; R71-I74 PolarHBondContact O-N 3.26Å; R71-N75 WeakPolarHBondContact O-CB 3.33Å; R71-N75 PolarHBondContact O-N 3.49Å; R71-N75 PolarHBondContact O-ND2 3.38Å |
| 72 | L | 97.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 177.9 | -69.6 | 173.7 | 0 | 0 | 0 | 112.1 | Q68 H69 L70 N75 G76 | Q68-L72 WeakPolarHBondContact O-CG 3.4Å; Q68-L72 PolarHBondContact O-N 3.25Å; H69-L72 PolarHBondContact O-N 3.44Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.87Å; L72-N75 PolarHBondContact O-N 3.26Å; L72-G76 PolarHBondContact O-N 3.05Å |
| 73 | K | 97.8 | Very high | 96.1 | Very high | 150 Ų | 150 | 103.9 Ų | 103.9 | 65% | 0.652 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 177.5 | -174.3 | 173.1 | 179.9 | 171.5 | 0 | 112 | H69 L70 G76 R77 | H69-K73 WeakPolarHBondContact O-CB 3.44Å; H69-K73 PolarHBondContact O-N 3.17Å; L70-K73 PolarHBondContact O-N 3.08Å; K73-G76 PolarHBondContact O-N 3.49Å; K73-R77 PolarHBondContact O-N 3.24Å; K73-R77 VanDerWaalsContact O-N 3.08Å |
| 74 | I | 98 | Very high | 96.7 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.7 | -68.6 | 167.2 | 0 | 0 | 0 | 110.3 | L70 R71 G76 R77 E78 | L70-I74 WeakPolarHBondContact O-CB 3.45Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.43Å; R71-I74 PolarHBondContact O-N 3.26Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 2.87Å; I74-R77 WeakPolarHBondContact O-CB 3.47Å; I74-R77 PolarHBondContact O-N 2.97Å; I74-R77 VanDerWaalsContact O-N 3.13Å; I74-E78 PolarHBondContact O-N 2.9Å |
| 75 | N | 98.4 | Very high | 97 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 178.4 | -73.2 | -19 | 0 | 0 | 0 | 112.2 | R71 L72 E78 R79 | R71-N75 WeakPolarHBondContact O-CB 3.33Å; R71-N75 PolarHBondContact O-N 3.49Å; R71-N75 PolarHBondContact O-ND2 3.38Å; L72-N75 PolarHBondContact O-N 3.26Å; N75-E78 PolarHBondContact O-N 3.36Å; N75-R79 WeakPolarHBondContact O-CG 3.17Å; N75-R79 PolarHBondContact O-N 3.47Å |
| 76 | G | 98.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 100.5 Ų | 100.5 | 29% | 0.289 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L72 K73 I74 R79 K80 | L72-G76 PolarHBondContact O-N 3.05Å; K73-G76 PolarHBondContact O-N 3.49Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 2.87Å; G76-R79 PolarHBondContact O-N 3.02Å; G76-K80 PolarHBondContact O-N 3.44Å; G76-K80 VanDerWaalsContact O-N 3.14Å |
| 77 | R | 98.6 | Very high | 97.7 | Very high | 206 Ų | 206 | 101.8 Ų | 101.8 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 176.4 | -176.2 | -177.4 | 173.1 | -150 | -1.3 | 112.1 | K73 I74 K80 R81 | K73-R77 PolarHBondContact O-N 3.24Å; K73-R77 VanDerWaalsContact O-N 3.08Å; I74-R77 WeakPolarHBondContact O-CB 3.47Å; I74-R77 PolarHBondContact O-N 2.97Å; I74-R77 VanDerWaalsContact O-N 3.13Å; R77-K80 WeakPolarHBondContact O-CB 3.47Å; R77-K80 PolarHBondContact O-N 3.38Å; R77-R81 PolarHBondContact O-N 3.48Å |
| 78 | E | 98.6 | Very high | 98 | Very high | 79 Ų | 79 | 104.3 Ų | 104.3 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | -179.5 | -173.5 | 58.5 | -161.9 | 0 | 0 | 112 | I74 N75 K80 R81 M82 | I74-E78 PolarHBondContact O-N 2.9Å; N75-E78 PolarHBondContact O-N 3.36Å; E78-K80 VanDerWaalsContact C-N 3.3Å; E78-K80 PolarHBondContact O-N 3Å; E78-R81 PolarHBondContact O-N 3.49Å; E78-R81 IonicContact OE1-CZ 3.87Å; E78-R81 IonicContact OE1-NH1 2.66Å; E78-R81 PolarHBondContact OE1-NH1 3.49Å; E78-R81 WeakPolarHBondContact OE2-CD 3.31Å; E78-R81 IonicContact OE2-NH1 2.9Å; E78-R81 PolarHBondContact OE2-NH1 2.8Å; E78-M82 WeakPolarHBondContact O-CB 3.45Å; E78-M82 PolarHBondContact O-N 3.01Å |
| 79 | R | 98.8 | Very high | 98.2 | Very high | 162 Ų | 162 | 100 Ų | 100 | 61% | 0.611 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58 | -44.2 | 171.2 | -76.5 | -168.7 | -64.8 | -91.5 | 4.2 | 111.7 | N75 G76 M82 H83 | N75-R79 WeakPolarHBondContact O-CG 3.17Å; N75-R79 PolarHBondContact O-N 3.47Å; G76-R79 PolarHBondContact O-N 3.02Å; R79-M82 PolarHBondContact O-N 3.45Å; R79-H83 WeakPolarHBondContact O-CB 3.22Å; R79-H83 PolarHBondContact O-N 3.12Å |
| 80 | K | 98.8 | Very high | 98.2 | Very high | 167 Ų | 167 | 96.6 Ų | 96.6 | 73% | 0.726 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 176.6 | -175.1 | 174.2 | -179.5 | 174.7 | 0 | 111.6 | G76 R77 E78 M82 H83 D84 | G76-K80 PolarHBondContact O-N 3.44Å; G76-K80 VanDerWaalsContact O-N 3.14Å; R77-K80 WeakPolarHBondContact O-CB 3.47Å; R77-K80 PolarHBondContact O-N 3.38Å; E78-K80 VanDerWaalsContact C-N 3.3Å; E78-K80 PolarHBondContact O-N 3Å; K80-M82 PolarHBondContact O-N 3.12Å; K80-H83 PolarHBondContact O-N 3.39Å; K80-D84 PolarHBondContact O-N 3.15Å |
| 81 | R | 98.7 | Very high | 98.3 | Very high | 164 Ų | 164 | 95.4 Ų | 95.4 | 62% | 0.619 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | 175.8 | -178.1 | -167 | 172 | -139.7 | 1.4 | 111.9 | R77 E78 H83 D84 L85 | R77-R81 PolarHBondContact O-N 3.48Å; E78-R81 PolarHBondContact O-N 3.49Å; E78-R81 IonicContact OE1-CZ 3.87Å; E78-R81 IonicContact OE1-NH1 2.66Å; E78-R81 PolarHBondContact OE1-NH1 3.49Å; E78-R81 WeakPolarHBondContact OE2-CD 3.31Å; E78-R81 IonicContact OE2-NH1 2.9Å; E78-R81 PolarHBondContact OE2-NH1 2.8Å; R81-H83 VanDerWaalsContact C-N 3.33Å; R81-H83 PolarHBondContact O-N 3.23Å; R81-D84 PolarHBondContact O-N 3.44Å; R81-L85 PolarHBondContact O-N 2.94Å |
| 82 | M | 98.8 | Very high | 98.3 | Very high | 69 Ų | 69 | 94.8 Ų | 94.8 | 34% | 0.34 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 178.1 | -81.8 | -60.9 | -55.1 | 0 | 0 | 112.7 | E78 R79 K80 L85 N86 | E78-M82 WeakPolarHBondContact O-CB 3.45Å; E78-M82 PolarHBondContact O-N 3.01Å; R79-M82 PolarHBondContact O-N 3.45Å; K80-M82 PolarHBondContact O-N 3.12Å; M82-L85 HydrophobicContact CE-CD2 4.32Å; M82-L85 HydrophobicContact SD-CD2 4.01Å; M82-N86 WeakPolarHBondContact O-CB 3.44Å; M82-N86 PolarHBondContact O-N 3.48Å; M82-N86 PolarHBondContact O-ND2 3.24Å |
| 83 | H | 98.8 | Very high | 98.3 | Very high | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 173.6 | -174.9 | 66.5 | 0 | 0 | 0 | 111.2 | R79 K80 R81 L85 N86 L87 | R79-H83 WeakPolarHBondContact O-CB 3.22Å; R79-H83 PolarHBondContact O-N 3.12Å; K80-H83 PolarHBondContact O-N 3.39Å; R81-H83 VanDerWaalsContact C-N 3.33Å; R81-H83 PolarHBondContact O-N 3.23Å; H83-L85 PolarHBondContact O-N 3.22Å; H83-N86 PolarHBondContact O-N 3.5Å; H83-N86 VanDerWaalsContact O-N 3.08Å; H83-L87 WeakPolarHBondContact O-CG 3.35Å; H83-L87 PolarHBondContact O-N 3Å |
| 84 | D | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 91.6 Ų | 91.6 | 60% | 0.599 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.7 | -44.6 | 176.6 | -173.4 | 58 | 0 | 0 | 0 | 112.5 | K80 R81 N86 L87 A88 | K80-D84 PolarHBondContact O-N 3.15Å; R81-D84 PolarHBondContact O-N 3.44Å; D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 3.42Å; D84-L87 WeakPolarHBondContact O-CB 3.47Å; D84-L87 PolarHBondContact O-N 3.18Å; D84-A88 PolarHBondContact O-N 3.18Å |
| 85 | L | 98.6 | Very high | 98.1 | Very high | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.2 | 174.9 | 62.3 | 0 | 0 | 0 | 112.3 | R81 M82 H83 L87 A88 M89 | R81-L85 PolarHBondContact O-N 2.94Å; M82-L85 HydrophobicContact CE-CD2 4.32Å; M82-L85 HydrophobicContact SD-CD2 4.01Å; H83-L85 PolarHBondContact O-N 3.22Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-A88 PolarHBondContact O-N 2.96Å; L85-M89 WeakPolarHBondContact O-CG 3.44Å; L85-M89 PolarHBondContact O-N 3.13Å |
| 86 | N | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 88.1 Ų | 88.1 | 32% | 0.316 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.5 | -34 | 179 | -70.8 | -25.7 | 0 | 0 | 0 | 111.6 | M82 H83 D84 M89 D90 K109 | M82-N86 WeakPolarHBondContact O-CB 3.44Å; M82-N86 PolarHBondContact O-N 3.48Å; M82-N86 PolarHBondContact O-ND2 3.24Å; H83-N86 PolarHBondContact O-N 3.5Å; H83-N86 VanDerWaalsContact O-N 3.08Å; D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 3.42Å; N86-M89 PolarHBondContact O-N 2.85Å; N86-D90 PolarHBondContact O-N 3.49Å; N86-K109 WeakPolarHBondContact OD1-CE 3.49Å; N86-K109 PolarHBondContact OD1-NZ 3.28Å |
| 87 | L | 98.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 90.2 Ų | 90.2 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 172.3 | -69.3 | 175.2 | 0 | 0 | 0 | 110.9 | H83 D84 L85 M89 D90 G91 | H83-L87 WeakPolarHBondContact O-CG 3.35Å; H83-L87 PolarHBondContact O-N 3Å; D84-L87 WeakPolarHBondContact O-CB 3.47Å; D84-L87 PolarHBondContact O-N 3.18Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L87-M89 VanDerWaalsContact C-N 3.32Å; L87-M89 PolarHBondContact O-N 3.21Å; L87-D90 PolarHBondContact O-N 3.3Å; L87-D90 VanDerWaalsContact O-N 3.13Å; L87-G91 PolarHBondContact O-N 3.39Å |
| 88 | A | 98.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 86.5 Ų | 86.5 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D84 L85 D90 G91 L92 | D84-A88 PolarHBondContact O-N 3.18Å; L85-A88 PolarHBondContact O-N 2.96Å; A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 2.91Å; A88-G91 PolarHBondContact O-N 3.4Å; A88-L92 PolarHBondContact O-N 3.47Å |
| 89 | M | 98.5 | Very high | 96.8 | Very high | 20 Ų | 20 | 85.4 Ų | 85.4 | 10% | 0.099 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 174.6 | -80.5 | -62.9 | -60.1 | 0 | 0 | 113.2 | L85 N86 L87 L92 R93 K109 T112 L113 | L85-M89 WeakPolarHBondContact O-CG 3.44Å; L85-M89 PolarHBondContact O-N 3.13Å; N86-M89 PolarHBondContact O-N 2.85Å; L87-M89 VanDerWaalsContact C-N 3.32Å; L87-M89 PolarHBondContact O-N 3.21Å; M89-L92 HydrophobicContact SD-CD2 4.49Å; M89-R93 WeakPolarHBondContact O-CG 3.45Å; M89-R93 PolarHBondContact O-N 3.13Å; M89-R93 PolarHBondContact O-NH1 3.4Å; M89-K109 HydrophobicContact CE-CB 4.15Å; M89-K109 HydrophobicContact CE-CG 4.26Å; M89-T112 HydrophobicContact CE-CG2 4.08Å; M89-L113 HydrophobicContact CE-CD2 4.31Å; M89-L113 HydrophobicContact CE-CG 4.27Å; M89-L113 HydrophobicContact SD-CD2 4.1Å |
| 90 | D | 96.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 83.5 Ų | 83.5 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.1 | -42.1 | 174.3 | -83.5 | -4.6 | 0 | 0 | 0 | 110.8 | N86 L87 A88 L92 R93 E94 K106 | N86-D90 PolarHBondContact O-N 3.49Å; L87-D90 PolarHBondContact O-N 3.3Å; L87-D90 VanDerWaalsContact O-N 3.13Å; A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 2.91Å; D90-L92 VanDerWaalsContact C-N 3.26Å; D90-L92 PolarHBondContact O-N 3.29Å; D90-R93 WeakPolarHBondContact O-CA 3.44Å; D90-R93 WeakPolarHBondContact O-CB 3.46Å; D90-R93 PolarHBondContact O-N 2.68Å; D90-R93 IonicContact OD1-CZ 3.55Å; D90-R93 IonicContact OD1-NH1 3.5Å; D90-R93 PolarHBondContact OD1-NH1 2.97Å; D90-E94 PolarHBondContact O-N 3.36Å; D90-K106 IonicContact OD1-NZ 3.49Å; D90-K106 IonicContact OD2-NZ 3.15Å; D90-K106 PolarHBondContact OD2-NZ 3.05Å |
| 91 | G | 97.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 77.2 Ų | 77.2 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | L87 A88 R93 E94 | L87-G91 PolarHBondContact O-N 3.39Å; A88-G91 PolarHBondContact O-N 3.4Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 2.9Å; G91-E94 WeakPolarHBondContact O-CB 3.27Å; G91-E94 PolarHBondContact O-N 2.97Å |
| 92 | L | 98.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 76.8 Ų | 76.8 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 171.9 | -178.6 | 62 | 0 | 0 | 0 | 112.3 | A88 M89 D90 E94 V95 M96 T112 L113 A116 | A88-L92 PolarHBondContact O-N 3.47Å; M89-L92 HydrophobicContact SD-CD2 4.49Å; D90-L92 VanDerWaalsContact C-N 3.26Å; D90-L92 PolarHBondContact O-N 3.29Å; L92-E94 VanDerWaalsContact C-N 3.31Å; L92-E94 PolarHBondContact O-N 2.97Å; L92-V95 HydrophobicContact CD1-CG2 4.24Å; L92-V95 WeakPolarHBondContact O-CG2 3.4Å; L92-V95 PolarHBondContact O-N 3.43Å; L92-M96 HydrophobicContact CD1-CE 3.64Å; L92-M96 HydrophobicContact CG-CE 4.24Å; L92-M96 WeakPolarHBondContact O-CG 3.47Å; L92-M96 PolarHBondContact O-N 3.36Å; L92-T112 HydrophobicContact CD2-CG2 3.85Å; L92-T112 HydrophobicContact CG-CG2 3.99Å; L92-L113 HydrophobicContact CD2-CD2 4.2Å; L92-A116 HydrophobicContact CD1-CB 4.15Å; L92-A116 HydrophobicContact CD2-CB 4.16Å; L92-A116 HydrophobicContact CG-CB 4.49Å |
| 93 | R | 97.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 79.3 Ų | 79.3 | 16% | 0.155 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69 | -30.9 | 179.2 | -68.7 | 175.7 | -177 | 95.1 | -14.1 | 112.5 | M89 D90 G91 V95 M96 H100 L107 T112 | M89-R93 WeakPolarHBondContact O-CG 3.45Å; M89-R93 PolarHBondContact O-N 3.13Å; M89-R93 PolarHBondContact O-NH1 3.4Å; D90-R93 WeakPolarHBondContact O-CA 3.44Å; D90-R93 WeakPolarHBondContact O-CB 3.46Å; D90-R93 PolarHBondContact O-N 2.68Å; D90-R93 IonicContact OD1-CZ 3.55Å; D90-R93 IonicContact OD1-NH1 3.5Å; D90-R93 PolarHBondContact OD1-NH1 2.97Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 2.9Å; R93-V95 PolarHBondContact O-N 2.94Å; R93-M96 PolarHBondContact O-N 3.01Å; R93-H100 PolarHBondContact O-NE2 3.49Å; R93-L107 PolarHBondContact NE-O 3.29Å; R93-L107 PolarHBondContact NH2-O 3.03Å; R93-T112 HydrophobicContact CG-CG2 3.65Å; R93-T112 PolarHBondContact NE-OG1 2.07Å |
| 94 | E | 95.8 | Very high | 94.3 | Very high | 146 Ų | 146 | 76.5 Ų | 76.5 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -32.4 | 178.2 | -65.8 | 176.5 | 169.6 | 0 | 0 | 111.7 | D90 G91 L92 H100 | D90-E94 PolarHBondContact O-N 3.36Å; G91-E94 WeakPolarHBondContact O-CB 3.27Å; G91-E94 PolarHBondContact O-N 2.97Å; L92-E94 VanDerWaalsContact C-N 3.31Å; L92-E94 PolarHBondContact O-N 2.97Å; E94-H100 PolarHBondContact O-NE2 3.03Å |
| 95 | V | 96.1 | Very high | 94 | Very high | 96 Ų | 96 | 81.8 Ų | 81.8 | 58% | 0.582 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -0.6 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | L92 R93 | L92-V95 HydrophobicContact CD1-CG2 4.24Å; L92-V95 WeakPolarHBondContact O-CG2 3.4Å; L92-V95 PolarHBondContact O-N 3.43Å; R93-V95 PolarHBondContact O-N 2.94Å |
| 96 | M | 96.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 84.5 Ų | 84.5 | 5% | 0.049 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -76.4 | 139.8 | 178.2 | -71.7 | -57.6 | 94.1 | 0 | 0 | 111.9 | L92 R93 Y98 H100 T112 L115 A116 Y119 | L92-M96 HydrophobicContact CD1-CE 3.64Å; L92-M96 HydrophobicContact CG-CE 4.24Å; L92-M96 WeakPolarHBondContact O-CG 3.47Å; L92-M96 PolarHBondContact O-N 3.36Å; R93-M96 PolarHBondContact O-N 3.01Å; M96-Y98 VanDerWaalsContact C-N 3.27Å; M96-Y98 PolarHBondContact O-N 2.87Å; M96-H100 PolarHBondContact O-CE1 3.38Å; M96-T112 HydrophobicContact CG-CG2 4.44Å; M96-L115 HydrophobicContact CB-CD2 3.94Å; M96-L115 HydrophobicContact CG-CD2 4.18Å; M96-L115 HydrophobicContact SD-CB 4.3Å; M96-L115 HydrophobicContact SD-CD2 4.34Å; M96-L115 HydrophobicContact SD-CG 4.04Å; M96-A116 HydrophobicContact CE-CB 3.89Å; M96-A116 WeakPolarHBondContact SD-CA 3.37Å; M96-A116 HydrophobicContact SD-CB 3.71Å; M96-A116 PolarHBondContact SD-N 3.33Å; M96-Y119 HydrophobicContact CE-CD1 4.22Å |
| 97 | P | 92.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 83.7 Ų | 83.7 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -77.5 | 76.9 | 176.6 | 33.8 | -36.3 | 0 | 0 | 0 | 110.4 | Y119 | P97-Y119 HydrophobicContact CB-CE2 4.37Å; P97-Y119 HydrophobicContact CG-CD1 4.02Å; P97-Y119 HydrophobicContact CG-CD2 3.7Å; P97-Y119 HydrophobicContact CG-CE1 4.15Å; P97-Y119 HydrophobicContact CG-CE2 3.86Å; P97-Y119 HydrophobicContact CG-CG 3.79Å |
| 98 | Y | 91.5 | Very high | 93.7 | Very high | 128 Ų | 128 | 82.2 Ų | 82.2 | 50% | 0.502 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -142.4 | 171.1 | 175.1 | -174.9 | -105.9 | 0 | 0 | 0 | 109.8 | M96 H100 V104 L107 | M96-Y98 VanDerWaalsContact C-N 3.27Å; M96-Y98 PolarHBondContact O-N 2.87Å; Y98-H100 PolarHBondContact O-CE1 3.21Å; Y98-H100 VanDerWaalsContact O-CE1 3.28Å; Y98-H100 PolarHBondContact O-N 2.93Å; Y98-H100 PolarHBondContact O-ND1 3.32Å; Y98-V104 HydrophobicContact CD1-CG1 4.49Å; Y98-V104 HydrophobicContact CE1-CG1 3.71Å; Y98-L107 HydrophobicContact CD1-CD1 4.5Å; Y98-L107 HydrophobicContact CD1-CD2 4.43Å; Y98-L107 HydrophobicContact CD1-CG 4.49Å; Y98-L107 HydrophobicContact CE1-CD2 4.32Å |
| 99 | A | 85.5 | Confident | 93.6 | Very high | 57 Ų | 57 | 83.7 Ų | 83.7 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | trans | -63.7 | 122.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V104 | A99-V104 HydrophobicContact CB-CG1 4.34Å; A99-V104 HydrophobicContact CB-CG2 4.26Å; A99-V104 WeakPolarHBondContact O-CG1 3.18Å | ||
| 100 | H | 89.1 | Confident | 93.6 | Very high | 121 Ų | 121 | 88 Ų | 88 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | trans | -102.2 | 135.5 | 169.6 | -55.6 | 89.4 | 0 | 0 | 0 | 109.8 | R93 E94 M96 Y98 | R93-H100 PolarHBondContact O-NE2 3.49Å; E94-H100 PolarHBondContact O-NE2 3.03Å; M96-H100 PolarHBondContact O-CE1 3.38Å; Y98-H100 PolarHBondContact O-CE1 3.21Å; Y98-H100 VanDerWaalsContact O-CE1 3.28Å; Y98-H100 PolarHBondContact O-N 2.93Å; Y98-H100 PolarHBondContact O-ND1 3.32Å | ||
| 101 | G | 85.7 | Confident | 93.7 | Very high | 36 Ų | 36 | 87.2 Ų | 87.2 | 37% | 0.371 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 175.1 | 155.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S103 V104 | G101-S103 PolarHBondContact O-N 3.26Å; G101-S103 VanDerWaalsContact O-N 3.13Å; G101-V104 PolarHBondContact O-N 3.28Å |
| 102 | P | 84.8 | Confident | 93.7 | Very high | 154 Ų | 154 | 85.7 Ų | 85.7 | 100% | 1 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.6 | -178.9 | 25.3 | -34 | 0 | 0 | 0 | 113 | ||
| 103 | S | 89.3 | Confident | 93.8 | Very high | 123 Ų | 123 | 87.9 Ų | 87.9 | 86% | 0.86 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.8 | 175.7 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | G101 | G101-S103 PolarHBondContact O-N 3.26Å; G101-S103 VanDerWaalsContact O-N 3.13Å |
| 104 | V | 91.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 90.4 Ų | 90.4 | 34% | 0.339 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -90.3 | 131.6 | -176.2 | -175 | 0 | 0 | 0 | 0 | 109.8 | Y98 A99 G101 | Y98-V104 HydrophobicContact CD1-CG1 4.49Å; Y98-V104 HydrophobicContact CE1-CG1 3.71Å; A99-V104 HydrophobicContact CB-CG1 4.34Å; A99-V104 HydrophobicContact CB-CG2 4.26Å; A99-V104 WeakPolarHBondContact O-CG1 3.18Å; G101-V104 PolarHBondContact O-N 3.28Å |
| 105 | R | 93.6 | Very high | 93.9 | Very high | 224 Ų | 224 | 85.9 Ų | 85.9 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 135.1 | -179.9 | -171.3 | -175.1 | -67.6 | 145.9 | -1.4 | 110.6 | L107 | R105-L107 PolarHBondContact O-N 3.02Š|
| 106 | K | 94.1 | Very high | 94.1 | Very high | 144 Ų | 144 | 81.8 Ų | 81.8 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 136 | 171.5 | -69.4 | -170.4 | 172.4 | -168.8 | 0 | 111.3 | D90 | D90-K106 IonicContact OD1-NZ 3.49Å; D90-K106 IonicContact OD2-NZ 3.15Å; D90-K106 PolarHBondContact OD2-NZ 3.05Å |
| 107 | L | 95.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 88.6 Ų | 88.6 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.3 | 171.1 | -62.4 | 176.8 | 0 | 0 | 0 | 111.3 | R93 Y98 R105 A111 L115 | R93-L107 PolarHBondContact NE-O 3.29Å; R93-L107 PolarHBondContact NH2-O 3.03Å; Y98-L107 HydrophobicContact CD1-CD1 4.5Å; Y98-L107 HydrophobicContact CD1-CD2 4.43Å; Y98-L107 HydrophobicContact CD1-CG 4.49Å; Y98-L107 HydrophobicContact CE1-CD2 4.32Å; R105-L107 PolarHBondContact O-N 3.02Å; L107-A111 HydrophobicContact CB-CB 4.42Å; L107-L115 HydrophobicContact CD1-CD2 3.82Å |
| 108 | S | 97.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 89 Ų | 89 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 162.1 | 172.4 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | I110 A111 T112 | S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.48Å; S108-I110 WeakPolarHBondContact OG-CG2 3.28Å; S108-A111 PolarHBondContact O-N 2.75Å; S108-A111 VanDerWaalsContact OG-CB 3.26Å; S108-A111 WeakPolarHBondContact OG-CB 3.24Å; S108-A111 PolarHBondContact OG-N 3.08Å; S108-T112 WeakPolarHBondContact O-CB 3.26Å; S108-T112 PolarHBondContact O-N 3.43Å; S108-T112 PolarHBondContact O-OG1 3.28Å |
| 109 | K | 98.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 86.7 Ų | 86.7 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 179.3 | -68 | -173.2 | 174.7 | -172 | 0 | 111.6 | N86 M89 T112 L113 | N86-K109 WeakPolarHBondContact OD1-CE 3.49Å; N86-K109 PolarHBondContact OD1-NZ 3.28Å; M89-K109 HydrophobicContact CE-CB 4.15Å; M89-K109 HydrophobicContact CE-CG 4.26Å; K109-T112 PolarHBondContact O-N 3.1Å; K109-L113 WeakPolarHBondContact O-CG 3.39Å; K109-L113 PolarHBondContact O-N 3.26Å; K109-L113 VanDerWaalsContact O-N 3.12Å |
| 110 | I | 98.5 | Very high | 95.4 | Very high | 111 Ų | 111 | 88.8 Ų | 88.8 | 57% | 0.569 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.2 | -42.4 | 179.4 | -173.1 | 59.5 | 0 | 0 | 0 | 112 | S108 T112 L113 L114 | S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.48Å; S108-I110 WeakPolarHBondContact OG-CG2 3.28Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.98Å; I110-L113 PolarHBondContact O-N 3.33Å; I110-L114 HydrophobicContact CD1-CD1 4.44Å; I110-L114 HydrophobicContact CD1-CG 4.35Å; I110-L114 HydrophobicContact CG1-CD1 4.1Å; I110-L114 HydrophobicContact CG1-CG 4.46Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å |
| 111 | A | 98 | Very high | 95.8 | Very high | 34 Ų | 34 | 87.3 Ų | 87.3 | 28% | 0.281 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L107 S108 L114 L115 | L107-A111 HydrophobicContact CB-CB 4.42Å; S108-A111 PolarHBondContact O-N 2.75Å; S108-A111 VanDerWaalsContact OG-CB 3.26Å; S108-A111 WeakPolarHBondContact OG-CB 3.24Å; S108-A111 PolarHBondContact OG-N 3.08Å; A111-L114 PolarHBondContact O-N 2.89Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 PolarHBondContact O-N 3.4Å |
| 112 | T | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 177.4 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | M89 L92 R93 M96 S108 K109 I110 L115 A116 | M89-T112 HydrophobicContact CE-CG2 4.08Å; L92-T112 HydrophobicContact CD2-CG2 3.85Å; L92-T112 HydrophobicContact CG-CG2 3.99Å; R93-T112 HydrophobicContact CG-CG2 3.65Å; R93-T112 PolarHBondContact NE-OG1 2.07Å; M96-T112 HydrophobicContact CG-CG2 4.44Å; S108-T112 WeakPolarHBondContact O-CB 3.26Å; S108-T112 PolarHBondContact O-N 3.43Å; S108-T112 PolarHBondContact O-OG1 3.28Å; K109-T112 PolarHBondContact O-N 3.1Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.98Å; T112-L115 PolarHBondContact O-N 3.38Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.33Å |
| 113 | L | 98.7 | Very high | 97.1 | Very high | 93 Ų | 93 | 87.9 Ų | 87.9 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 179.8 | -66.3 | 176.1 | 0 | 0 | 0 | 112.6 | M89 L92 K109 I110 A116 R117 | M89-L113 HydrophobicContact CE-CD2 4.31Å; M89-L113 HydrophobicContact CE-CG 4.27Å; M89-L113 HydrophobicContact SD-CD2 4.1Å; L92-L113 HydrophobicContact CD2-CD2 4.2Å; K109-L113 WeakPolarHBondContact O-CG 3.39Å; K109-L113 PolarHBondContact O-N 3.26Å; K109-L113 VanDerWaalsContact O-N 3.12Å; I110-L113 PolarHBondContact O-N 3.33Å; L113-A116 PolarHBondContact O-N 2.87Å; L113-R117 PolarHBondContact O-N 3.2Å |
| 114 | L | 98.4 | Very high | 97.5 | Very high | 94 Ų | 94 | 85.8 Ų | 85.8 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.6 | -72.4 | 173.2 | 0 | 0 | 0 | 111.6 | I110 A111 R117 N118 | I110-L114 HydrophobicContact CD1-CD1 4.44Å; I110-L114 HydrophobicContact CD1-CG 4.35Å; I110-L114 HydrophobicContact CG1-CD1 4.1Å; I110-L114 HydrophobicContact CG1-CG 4.46Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å; A111-L114 PolarHBondContact O-N 2.89Å; L114-R117 PolarHBondContact O-N 3.42Å; L114-N118 PolarHBondContact O-N 2.93Å |
| 115 | L | 98.2 | Very high | 97.8 | Very high | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.5 | -175.3 | 59 | 0 | 0 | 0 | 111.1 | M96 L107 A111 T112 R117 N118 Y119 | M96-L115 HydrophobicContact CB-CD2 3.94Å; M96-L115 HydrophobicContact CG-CD2 4.18Å; M96-L115 HydrophobicContact SD-CB 4.3Å; M96-L115 HydrophobicContact SD-CD2 4.34Å; M96-L115 HydrophobicContact SD-CG 4.04Å; L107-L115 HydrophobicContact CD1-CD2 3.82Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 PolarHBondContact O-N 3.4Å; T112-L115 PolarHBondContact O-N 3.38Å; L115-R117 PolarHBondContact O-N 3.4Å; L115-N118 PolarHBondContact O-N 3.43Å; L115-Y119 VanDerWaalsContact O-CB 3.3Å; L115-Y119 WeakPolarHBondContact O-CB 3.49Å; L115-Y119 PolarHBondContact O-N 3.42Å |
| 116 | A | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 79.3 Ų | 79.3 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L92 M96 T112 L113 N118 Y119 I120 | L92-A116 HydrophobicContact CD1-CB 4.15Å; L92-A116 HydrophobicContact CD2-CB 4.16Å; L92-A116 HydrophobicContact CG-CB 4.49Å; M96-A116 HydrophobicContact CE-CB 3.89Å; M96-A116 WeakPolarHBondContact SD-CA 3.37Å; M96-A116 HydrophobicContact SD-CB 3.71Å; M96-A116 PolarHBondContact SD-N 3.33Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.33Å; L113-A116 PolarHBondContact O-N 2.87Å; A116-N118 PolarHBondContact O-N 3.33Å; A116-Y119 PolarHBondContact O-N 3.12Å; A116-I120 WeakPolarHBondContact O-CG1 3.34Å; A116-I120 PolarHBondContact O-N 3.21Å |
| 117 | R | 98.5 | Very high | 98.2 | Very high | 153 Ų | 153 | 76.6 Ų | 76.6 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57.6 | -49.8 | 175.9 | -179.6 | -174.3 | 177.7 | -79.2 | -1.7 | 111.3 | L113 L114 L115 Y119 I120 L121 | L113-R117 PolarHBondContact O-N 3.2Å; L114-R117 PolarHBondContact O-N 3.42Å; L115-R117 PolarHBondContact O-N 3.4Å; R117-Y119 VanDerWaalsContact C-N 3.28Å; R117-Y119 PolarHBondContact O-N 3.5Å; R117-I120 PolarHBondContact O-N 3.13Å; R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 2.93Å |
| 118 | N | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 79 Ų | 79 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | -178.6 | -68.9 | -14.4 | 0 | 0 | 0 | 111.5 | L114 L115 A116 L121 M122 | L114-N118 PolarHBondContact O-N 2.93Å; L115-N118 PolarHBondContact O-N 3.43Å; A116-N118 PolarHBondContact O-N 3.33Å; N118-L121 PolarHBondContact O-N 3Å; N118-M122 VanDerWaalsContact O-CG 3.29Å; N118-M122 WeakPolarHBondContact O-CG 3.36Å; N118-M122 PolarHBondContact O-N 3.33Å |
| 119 | Y | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 79.9 Ų | 79.9 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 178 | -173.8 | -145 | 0 | 0 | 0 | 112 | M96 P97 L115 A116 R117 L121 M122 L123 | M96-Y119 HydrophobicContact CE-CD1 4.22Å; P97-Y119 HydrophobicContact CB-CE2 4.37Å; P97-Y119 HydrophobicContact CG-CD1 4.02Å; P97-Y119 HydrophobicContact CG-CD2 3.7Å; P97-Y119 HydrophobicContact CG-CE1 4.15Å; P97-Y119 HydrophobicContact CG-CE2 3.86Å; P97-Y119 HydrophobicContact CG-CG 3.79Å; L115-Y119 VanDerWaalsContact O-CB 3.3Å; L115-Y119 WeakPolarHBondContact O-CB 3.49Å; L115-Y119 PolarHBondContact O-N 3.42Å; A116-Y119 PolarHBondContact O-N 3.12Å; R117-Y119 VanDerWaalsContact C-N 3.28Å; R117-Y119 PolarHBondContact O-N 3.5Å; Y119-L121 VanDerWaalsContact C-N 3.3Å; Y119-L121 PolarHBondContact O-N 3.49Å; Y119-M122 PolarHBondContact O-N 2.92Å; Y119-L123 HydrophobicContact CD1-CD1 4.2Å; Y119-L123 HydrophobicContact CD2-CD1 4.13Å; Y119-L123 HydrophobicContact CD2-CD2 4.44Å; Y119-L123 HydrophobicContact CD2-CG 3.93Å; Y119-L123 HydrophobicContact CE1-CD1 3.92Å; Y119-L123 HydrophobicContact CE2-CD1 3.85Å; Y119-L123 HydrophobicContact CE2-CD2 3.7Å; Y119-L123 HydrophobicContact CE2-CG 3.65Å; Y119-L123 HydrophobicContact CG-CD1 4.31Å; Y119-L123 WeakPolarHBondContact O-CG 3.34Å; Y119-L123 PolarHBondContact O-N 2.95Å |
| 120 | I | 98.6 | Very high | 98.2 | Very high | 100 Ų | 100 | 80.3 Ų | 80.3 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 173.4 | -67.2 | 165.1 | 0 | 0 | 0 | 110.9 | A116 R117 M122 L123 N124 | A116-I120 WeakPolarHBondContact O-CG1 3.34Å; A116-I120 PolarHBondContact O-N 3.21Å; R117-I120 PolarHBondContact O-N 3.13Å; I120-M122 PolarHBondContact O-N 3.48Å; I120-L123 PolarHBondContact O-N 3.41Å; I120-N124 VanDerWaalsContact O-CG 3.32Å; I120-N124 PolarHBondContact O-N 3.42Å; I120-N124 PolarHBondContact O-ND2 3.49Å |
| 121 | L | 98.5 | Very high | 98.1 | Very high | 90 Ų | 90 | 81.4 Ų | 81.4 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.5 | -68.1 | 176.1 | 0 | 0 | 0 | 112.3 | R117 N118 Y119 N124 S125 | R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 2.93Å; N118-L121 PolarHBondContact O-N 3Å; Y119-L121 VanDerWaalsContact C-N 3.3Å; Y119-L121 PolarHBondContact O-N 3.49Å; L121-N124 PolarHBondContact O-N 3Å; L121-S125 PolarHBondContact O-N 3.23Å |
| 122 | M | 98.4 | Very high | 98 | Very high | 129 Ų | 129 | 85.2 Ų | 85.2 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 176.9 | -72 | -111.9 | -59.4 | 0 | 0 | 112.1 | N118 Y119 I120 S125 S126 | N118-M122 VanDerWaalsContact O-CG 3.29Å; N118-M122 WeakPolarHBondContact O-CG 3.36Å; N118-M122 PolarHBondContact O-N 3.33Å; Y119-M122 PolarHBondContact O-N 2.92Å; I120-M122 PolarHBondContact O-N 3.48Å; M122-S125 PolarHBondContact O-N 2.98Å; M122-S126 WeakPolarHBondContact O-CB 3.29Å; M122-S126 PolarHBondContact O-N 2.94Å; M122-S126 PolarHBondContact O-OG 3.45Å |
| 123 | L | 98.3 | Very high | 97.8 | Very high | 74 Ų | 74 | 88.7 Ų | 88.7 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.6 | -70.9 | 174.4 | 0 | 0 | 0 | 111.2 | Y119 I120 S126 L127 | Y119-L123 HydrophobicContact CD1-CD1 4.2Å; Y119-L123 HydrophobicContact CD2-CD1 4.13Å; Y119-L123 HydrophobicContact CD2-CD2 4.44Å; Y119-L123 HydrophobicContact CD2-CG 3.93Å; Y119-L123 HydrophobicContact CE1-CD1 3.92Å; Y119-L123 HydrophobicContact CE2-CD1 3.85Å; Y119-L123 HydrophobicContact CE2-CD2 3.7Å; Y119-L123 HydrophobicContact CE2-CG 3.65Å; Y119-L123 HydrophobicContact CG-CD1 4.31Å; Y119-L123 WeakPolarHBondContact O-CG 3.34Å; Y119-L123 PolarHBondContact O-N 2.95Å; I120-L123 PolarHBondContact O-N 3.41Å; L123-S126 PolarHBondContact O-N 2.93Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.36Å |
| 124 | N | 98.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 88 Ų | 88 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.1 | -71.4 | -17.7 | 0 | 0 | 0 | 111.8 | I120 L121 S126 L127 D128 | I120-N124 VanDerWaalsContact O-CG 3.32Å; I120-N124 PolarHBondContact O-N 3.42Å; I120-N124 PolarHBondContact O-ND2 3.49Å; L121-N124 PolarHBondContact O-N 3Å; N124-S126 VanDerWaalsContact C-N 3.26Å; N124-S126 PolarHBondContact O-N 3.37Å; N124-L127 PolarHBondContact O-N 3.27Å; N124-D128 PolarHBondContact O-N 2.82Å |
| 125 | S | 98.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 85.4 Ų | 85.4 | 57% | 0.566 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59 | -39 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | L121 M122 E129 | L121-S125 PolarHBondContact O-N 3.23Å; M122-S125 PolarHBondContact O-N 2.98Å; S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 PolarHBondContact O-N 3.31Å; S125-E129 VanDerWaalsContact O-N 3.08Å |
| 126 | S | 98.1 | Very high | 97 | Very high | 63 Ų | 63 | 87.9 Ų | 87.9 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | M122 L123 N124 M130 | M122-S126 WeakPolarHBondContact O-CB 3.29Å; M122-S126 PolarHBondContact O-N 2.94Å; M122-S126 PolarHBondContact O-OG 3.45Å; L123-S126 PolarHBondContact O-N 2.93Å; N124-S126 VanDerWaalsContact C-N 3.26Å; N124-S126 PolarHBondContact O-N 3.37Å; S126-M130 WeakPolarHBondContact O-CG 3.22Å; S126-M130 PolarHBondContact O-N 3.23Å |
| 127 | L | 98.2 | Very high | 96.6 | Very high | 86 Ų | 86 | 93.1 Ų | 93.1 | 45% | 0.45 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.9 | -73.4 | 173.8 | 0 | 0 | 0 | 111.7 | L123 N124 M130 K131 | L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.36Å; N124-L127 PolarHBondContact O-N 3.27Å; L127-M130 HydrophobicContact CD2-CE 3.83Å; L127-M130 PolarHBondContact O-N 3.46Å; L127-K131 VanDerWaalsContact O-CG 3.28Å; L127-K131 WeakPolarHBondContact O-CG 3.47Å; L127-K131 PolarHBondContact O-N 2.88Å |
| 128 | D | 97.4 | Very high | 96 | Very high | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -38.8 | -179.7 | -67.2 | -25.7 | 0 | 0 | 0 | 112 | N124 K131 R132 | N124-D128 PolarHBondContact O-N 2.82Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-K131 IonicContact OD1-NZ 2.85Å; D128-K131 PolarHBondContact OD1-NZ 3.38Å; D128-R132 PolarHBondContact O-N 2.98Å |
| 129 | E | 97.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 94.6 Ų | 94.6 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 173.2 | 179.6 | 59 | -170.2 | 0 | 0 | 112 | S125 K131 R132 L133 | S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 PolarHBondContact O-N 3.31Å; S125-E129 VanDerWaalsContact O-N 3.08Å; E129-K131 VanDerWaalsContact C-N 3.32Å; E129-K131 PolarHBondContact O-N 2.99Å; E129-R132 WeakPolarHBondContact O-CB 3.32Å; E129-R132 PolarHBondContact O-N 3.46Å; E129-R132 VanDerWaalsContact O-N 3.16Å; E129-R132 IonicContact OE1-CZ 3.64Å; E129-R132 IonicContact OE1-NE 3.03Å; E129-R132 IonicContact OE1-NH2 3.63Å; E129-R132 PolarHBondContact OE1-NH2 3.06Å; E129-R132 IonicContact OE2-CZ 3.48Å; E129-R132 IonicContact OE2-NE 2.93Å; E129-R132 PolarHBondContact OE2-NE 3.48Å; E129-R132 IonicContact OE2-NH2 2.68Å; E129-L133 HydrophobicContact CG-CD1 4.29Å; E129-L133 WeakPolarHBondContact O-CG 3.43Å; E129-L133 PolarHBondContact O-N 3.27Å |
| 130 | M | 97.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 92.5 Ų | 92.5 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 174.7 | -75.6 | -172.5 | -66.7 | 0 | 0 | 112 | S126 L127 R132 L133 V134 | S126-M130 WeakPolarHBondContact O-CG 3.22Å; S126-M130 PolarHBondContact O-N 3.23Å; L127-M130 HydrophobicContact CD2-CE 3.83Å; L127-M130 PolarHBondContact O-N 3.46Å; M130-R132 VanDerWaalsContact C-N 3.34Å; M130-R132 PolarHBondContact O-N 3.38Å; M130-L133 PolarHBondContact O-N 3.03Å; M130-V134 WeakPolarHBondContact O-CB 3.31Å; M130-V134 VanDerWaalsContact O-CG2 3.22Å; M130-V134 WeakPolarHBondContact O-CG2 3.4Å; M130-V134 PolarHBondContact O-N 3.09Å |
| 131 | K | 95.4 | Very high | 90.5 | Very high | 134 Ų | 134 | 95.8 Ų | 95.8 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 174.5 | -70.6 | 169.1 | -160.4 | 156.3 | 0 | 111.9 | L127 D128 E129 G135 | L127-K131 VanDerWaalsContact O-CG 3.28Å; L127-K131 WeakPolarHBondContact O-CG 3.47Å; L127-K131 PolarHBondContact O-N 2.88Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-K131 IonicContact OD1-NZ 2.85Å; D128-K131 PolarHBondContact OD1-NZ 3.38Å; E129-K131 VanDerWaalsContact C-N 3.32Å; E129-K131 PolarHBondContact O-N 2.99Å; K131-G135 PolarHBondContact O-N 2.93Å |
| 132 | R | 95.6 | Very high | 88.4 | Confident | 113 Ų | 113 | 100 Ų | 100 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 176 | -173.8 | -172.5 | 70.4 | 81.4 | 1.7 | 110.7 | D128 E129 M130 V134 G135 E136 | D128-R132 PolarHBondContact O-N 2.98Å; E129-R132 WeakPolarHBondContact O-CB 3.32Å; E129-R132 PolarHBondContact O-N 3.46Å; E129-R132 VanDerWaalsContact O-N 3.16Å; E129-R132 IonicContact OE1-CZ 3.64Å; E129-R132 IonicContact OE1-NE 3.03Å; E129-R132 IonicContact OE1-NH2 3.63Å; E129-R132 PolarHBondContact OE1-NH2 3.06Å; E129-R132 IonicContact OE2-CZ 3.48Å; E129-R132 IonicContact OE2-NE 2.93Å; E129-R132 PolarHBondContact OE2-NE 3.48Å; E129-R132 IonicContact OE2-NH2 2.68Å; M130-R132 VanDerWaalsContact C-N 3.34Å; M130-R132 PolarHBondContact O-N 3.38Å; R132-V134 PolarHBondContact O-N 2.66Å; R132-G135 CarbonylContact O-C 3.56Å; R132-G135 WeakPolarHBondContact O-CA 3.37Å; R132-G135 PolarHBondContact O-N 3.4Å; R132-G135 VanDerWaalsContact O-N 3.14Å; R132-E136 IonicContact CZ-OE1 3.67Å; R132-E136 IonicContact CZ-OE2 3.52Å; R132-E136 IonicContact NH1-OE1 2.58Å; R132-E136 PolarHBondContact NH1-OE1 2.91Å; R132-E136 IonicContact NH1-OE2 2.89Å; R132-E136 PolarHBondContact NH1-OE2 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.38Å; R132-E136 PolarHBondContact O-N 3.5Å |
| 133 | L | 95.1 | Very high | 86.4 | Confident | 73 Ų | 73 | 99.4 Ų | 99.4 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 179.4 | -67.4 | 173.3 | 0 | 0 | 0 | 112.4 | E129 M130 G135 E136 I137 | E129-L133 HydrophobicContact CG-CD1 4.29Å; E129-L133 WeakPolarHBondContact O-CG 3.43Å; E129-L133 PolarHBondContact O-N 3.27Å; M130-L133 PolarHBondContact O-N 3.03Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-E136 PolarHBondContact O-N 2.92Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.28Å; L133-I137 PolarHBondContact O-N 3.38Å |
| 134 | V | 94.7 | Very high | 84.3 | Confident | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | M130 R132 E136 I137 Y138 | M130-V134 WeakPolarHBondContact O-CB 3.31Å; M130-V134 VanDerWaalsContact O-CG2 3.22Å; M130-V134 WeakPolarHBondContact O-CG2 3.4Å; M130-V134 PolarHBondContact O-N 3.09Å; R132-V134 PolarHBondContact O-N 2.66Å; V134-E136 VanDerWaalsContact C-N 3.26Å; V134-E136 PolarHBondContact O-N 3.26Å; V134-I137 PolarHBondContact O-N 3.27Å; V134-Y138 HydrophobicContact CG1-CD2 3.62Å; V134-Y138 HydrophobicContact CG1-CE2 3.94Å; V134-Y138 WeakPolarHBondContact O-CB 3.44Å; V134-Y138 VanDerWaalsContact O-CD2 3.3Å; V134-Y138 WeakPolarHBondContact O-CD2 3.3Å; V134-Y138 PolarHBondContact O-N 2.79Å |
| 135 | G | 92.7 | Very high | 81.8 | Confident | 41 Ų | 41 | 107.4 Ų | 107.4 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.1 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | K131 R132 L133 G139 | K131-G135 PolarHBondContact O-N 2.93Å; R132-G135 CarbonylContact O-C 3.56Å; R132-G135 WeakPolarHBondContact O-CA 3.37Å; R132-G135 PolarHBondContact O-N 3.4Å; R132-G135 VanDerWaalsContact O-N 3.14Å; L133-G135 VanDerWaalsContact C-N 3.35Å; G135-G139 WeakPolarHBondContact O-CA 3.42Å; G135-G139 PolarHBondContact O-N 3.41Å |
| 136 | E | 91.3 | Very high | 79.3 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.7 | -39.8 | 175.9 | -73.9 | 169.1 | -177.2 | 0 | 0 | 112.5 | R132 L133 V134 | R132-E136 IonicContact CZ-OE1 3.67Å; R132-E136 IonicContact CZ-OE2 3.52Å; R132-E136 IonicContact NH1-OE1 2.58Å; R132-E136 PolarHBondContact NH1-OE1 2.91Å; R132-E136 IonicContact NH1-OE2 2.89Å; R132-E136 PolarHBondContact NH1-OE2 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.38Å; R132-E136 PolarHBondContact O-N 3.5Å; L133-E136 PolarHBondContact O-N 2.92Å; V134-E136 VanDerWaalsContact C-N 3.26Å; V134-E136 PolarHBondContact O-N 3.26Å |
| 137 | I | 90.8 | Very high | 76.5 | Confident | 122 Ų | 122 | 114.4 Ų | 114.4 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -42.2 | 179.2 | -66.4 | 165.9 | 0 | 0 | 0 | 111.5 | L133 V134 | L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.28Å; L133-I137 PolarHBondContact O-N 3.38Å; V134-I137 PolarHBondContact O-N 3.27Å |
| 138 | Y | 84.3 | Confident | 74.2 | Confident | 195 Ų | 195 | 113.5 Ų | 113.5 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -95.2 | -24.2 | -174.6 | -72.6 | -90.2 | 0 | 0 | 0 | 113.9 | V134 | V134-Y138 HydrophobicContact CG1-CD2 3.62Å; V134-Y138 HydrophobicContact CG1-CE2 3.94Å; V134-Y138 WeakPolarHBondContact O-CB 3.44Å; V134-Y138 VanDerWaalsContact O-CD2 3.3Å; V134-Y138 WeakPolarHBondContact O-CD2 3.3Å; V134-Y138 PolarHBondContact O-N 2.79Å |
| 139 | G | 68.1 | Low | 71.6 | Confident | 68 Ų | 68 | 115.6 Ų | 115.6 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -90 | -3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G135 | G135-G139 WeakPolarHBondContact O-CA 3.42Å; G135-G139 PolarHBondContact O-N 3.41Å |
| 140 | G | 56.8 | Low | 69.3 | Low | 35 Ų | 35 | 117.7 Ų | 117.7 | 36% | 0.361 | 65% | 0.65 | S | S | . | * | trans | 120.1 | 123.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | H142 | G140-H142 PolarHBondContact O-N 3.49Š| ||
| 141 | H | 56.3 | Low | 66.7 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 78% | 0.782 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -61.1 | 45.8 | 151.7 | -77.4 | 119.9 | 0 | 0 | 0 | 112.9 | ||
| 142 | H | 54.2 | Low | 64 | Low | 179 Ų | 179 | 116 Ų | 116 | 83% | 0.829 | 68% | 0.678 | S | S | * | * | trans | -111.3 | 13.8 | -174.9 | -73.2 | -69.3 | 0 | 0 | 0 | 115.3 | G140 | G140-H142 PolarHBondContact O-N 3.49Š| ||
| 143 | S | 56.3 | Low | 61.5 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -134.2 | 12 | 178.6 | -129.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 144 | T | 53.5 | Low | 58.9 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -119.7 | 13.7 | -176 | -44.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 145 | F | 45.7 | Very low | 56.2 | Low | 194 Ų | 194 | 121.1 Ų | 121.1 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | -122.9 | 64.1 | 165.8 | -60.1 | -77.9 | 0 | 0 | 0 | 110.9 | ||||
| 146 | H | 46.4 | Very low | 53.8 | Low | 183 Ų | 183 | 127.3 Ų | 127.3 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -112.9 | 87.6 | 146.3 | -150.8 | -68.3 | 0 | 0 | 0 | 108.3 | ||||
| 147 | C | 39.5 | Very low | 51.9 | Low | 108 Ų | 108 | 128.4 Ų | 128.4 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -49.8 | 145.7 | 164.9 | 179 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 148 | G | 50.4 | Low | 49.4 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -55.8 | 148.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 149 | T | 42.6 | Very low | 47.5 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -133.8 | 116.3 | 156.5 | -78.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 150 | V | 49.6 | Very low | 46.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 152.4 | 167.8 | -73 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 151 | S | 42.1 | Very low | 45.9 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | 82 | 124.6 | 156.6 | -65.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 152 | G | 38.3 | Very low | 45.3 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 167.4 | 85 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 153 | H | 43.5 | Very low | 45 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -37.1 | 154.5 | 156.8 | -95.8 | -59.2 | 0 | 0 | 0 | 113.7 | ||||
| 154 | S | 40.9 | Very low | 44.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -171.3 | 151.9 | 19.7 | -85.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 155 | G | 37.9 | Very low | 44 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 147.8 | 109.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 156 | N | 41.7 | Very low | 43.7 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 84.5 | 127.9 | 159.6 | -76.9 | 16 | 0 | 0 | 0 | 121.7 | ||||
| 157 | P | 50.8 | Low | 43.5 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -102.7 | 132 | 168.3 | 36.5 | -25.1 | 0 | 0 | 0 | 111.8 | ||||
| 158 | A | 38.4 | Very low | 43.7 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -174.4 | 115 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 159 | H | 45.7 | Very low | 43.2 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 30 | 118.8 | 152.4 | -63.2 | -78 | 0 | 0 | 0 | 119.7 | ||||
| 160 | Q | 45 | Very low | 43.2 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 174.9 | 128.3 | 101.9 | -88.8 | -173.6 | 46.9 | 0 | 0 | 112.1 | |||||
| 161 | V | 44.3 | Very low | 42.7 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | 9.3 | 132.9 | 158.8 | -68.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 162 | H | 44.3 | Very low | 42.7 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -46.9 | 151.9 | 176.2 | -87 | -116.6 | 0 | 0 | 0 | 117.3 | ||||
| 163 | P | 48.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -124.8 | 121.9 | 119 | 19.5 | -2 | 0 | 0 | 0 | 110.8 | |||||
| 164 | L | 44.2 | Very low | 42.5 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 136 | 177.9 | -171.8 | 64.9 | 0 | 0 | 0 | 110.7 | ||||
| 165 | L | 44 | Very low | 42.6 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -60.5 | 164.5 | 178.4 | -76.9 | 147.4 | 0 | 0 | 0 | 114.4 | ||||
| 166 | G | 39 | Very low | 42.6 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -77.9 | -179.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 167 | S | 42.6 | Very low | 42.7 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 96.8 | 114.3 | 155.7 | -59.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 168 | A | 43.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 68.6 | 114.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 169 | L | 40.7 | Very low | 42.3 | Very low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | -146.4 | 130.9 | 129.8 | -170.6 | 57.2 | 0 | 0 | 0 | 111.1 | |||||
| 170 | S | 42.3 | Very low | 42 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -47.2 | 140.7 | 168.9 | -48.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 171 | S | 37.8 | Very low | 42 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -135.2 | 105.7 | 158.9 | -70.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 172 | S | 42.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -59.9 | 134 | 157.9 | -48.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 173 | T | 40.9 | Very low | 41.7 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -142.4 | 128.5 | 146.1 | 43.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 174 | S | 36.6 | Very low | 41.6 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -67.2 | 161.2 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 175 | S | 43.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -48.4 | 140.8 | 167.9 | -35.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 176 | T | 38.3 | Very low | 41.4 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -145.5 | 116.9 | 143.6 | 36.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | L | 44.1 | Very low | 41.6 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -77.3 | 125.1 | 162.7 | -66.2 | 164.5 | 0 | 0 | 0 | 107.3 | ||||
| 178 | T | 37.9 | Very low | 41.5 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -129.9 | 104.7 | 165.6 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 179 | T | 42.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 121.3 | 159.4 | -51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 180 | T | 39.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -155.4 | 117.6 | 153.1 | 39.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 181 | L | 45.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -70.8 | 148.4 | 157 | -94.8 | 78.5 | 0 | 0 | 0 | 109.1 | ||||
| 182 | P | 46.2 | Very low | 41.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -138.5 | 151.7 | 99.9 | 30.9 | -13.8 | 0 | 0 | 0 | 110.9 | |||||
| 183 | G | 35.6 | Very low | 41.9 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 99 | 76.1 | 43.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 184 | L | 47 | Very low | 42 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 54.4 | 117.6 | 156.9 | -56.2 | 171.5 | 0 | 0 | 0 | 119.8 | ||||
| 185 | T | 40.4 | Very low | 42 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | -165.1 | 137.9 | 121.9 | 39.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 186 | S | 43.5 | Very low | 41.7 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -70.4 | 124.6 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 187 | I | 43.6 | Very low | 41.7 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 81% | 0.813 | S | S | * | * | trans | -141.6 | 117.8 | 155.7 | -54 | -179.2 | 0 | 0 | 0 | 110.1 | ||||
| 188 | R | 41 | Very low | 41.7 | Very low | 227 Ų | 227 | 139 Ų | 139 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123 | 171.4 | 177.9 | 172.5 | -174.8 | 156.5 | -0.2 | 110.6 | ||
| 189 | A | 39 | Very low | 42 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 130.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 190 | P | 47.8 | Very low | 42.5 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 145.9 | 173.8 | 31.1 | -32 | 0 | 0 | 0 | 111.4 | S192 | P190-S192 PolarHBondContact O-N 3.4Š|
| 191 | H | 43.1 | Very low | 42.8 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.2 | 175.7 | -64 | -101.6 | 0 | 0 | 0 | 111.1 | ||
| 192 | S | 37.7 | Very low | 42.7 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -103.6 | 101 | 163.1 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | P190 M194 | P190-S192 PolarHBondContact O-N 3.4Å; S192-M194 PolarHBondContact O-N 3.31Å | ||
| 193 | L | 47.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -55.1 | 114.8 | 161 | -95.6 | 125.2 | 0 | 0 | 0 | 110.1 | ||||
| 194 | M | 42.3 | Very low | 43 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -124.8 | 98.2 | 163.6 | -68.9 | -82.2 | 98.2 | 0 | 0 | 109.2 | S192 | S192-M194 PolarHBondContact O-N 3.31Š| ||
| 195 | K | 36.8 | Very low | 42.7 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 24.2 | 104.1 | 140 | -149.3 | 83.1 | 158.3 | -171.6 | 0 | 116.6 | ||||
| 196 | S | 37.3 | Very low | 43.4 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.4 | 163.5 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 197 | A | 37.7 | Very low | 43.8 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 151.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 198 | P | 44.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79 | 139.8 | -159.9 | 31.2 | -33.5 | 0 | 0 | 0 | 113.1 | ||
| 199 | A | 44.9 | Very low | 45 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 200 | P | 52.4 | Low | 46 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 155.9 | 164 | 31.2 | -31.7 | 0 | 0 | 0 | 110.6 | L202 | P200-L202 PolarHBondContact O-N 2.97Š|
| 201 | P | 46.1 | Very low | 46.3 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 128.8 | -171.7 | 27.6 | -32.9 | 0 | 0 | 0 | 111.4 | Q203 | P201-Q203 PolarHBondContact O-N 3.43Š|
| 202 | L | 41.5 | Very low | 47.2 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 112.3 | 172.7 | -72.7 | 162.4 | 0 | 0 | 0 | 109.8 | P200 | P200-L202 PolarHBondContact O-N 2.97Š| ||
| 203 | Q | 40.3 | Very low | 48.5 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -78.8 | 121.9 | 159.3 | -86.7 | -168.2 | 4.8 | 0 | 0 | 109.3 | P201 G205 | P201-Q203 PolarHBondContact O-N 3.43Å; Q203-G205 VanDerWaalsContact C-N 3.34Å; Q203-G205 PolarHBondContact O-N 3Å | ||
| 204 | L | 48.5 | Very low | 49.7 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 97% | 0.974 | 76% | 0.755 | S | S | * | * | trans | -68.2 | 87.1 | 173.3 | -175.7 | 66.2 | 0 | 0 | 0 | 109.6 | ||||
| 205 | G | 41.3 | Very low | 51 | Low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -118.6 | 117.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | Q203 G207 | Q203-G205 VanDerWaalsContact C-N 3.34Å; Q203-G205 PolarHBondContact O-N 3Å; G205-G207 PolarHBondContact O-N 2.95Å | ||
| 206 | S | 54.9 | Low | 52.7 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | trans | -65.2 | 92.7 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 207 | G | 51.3 | Low | 54.3 | Low | 53 Ų | 53 | 120.8 Ų | 120.8 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | trans | -161.5 | 129.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | G205 Q209 | G205-G207 PolarHBondContact O-N 2.95Å; G207-Q209 PolarHBondContact O-N 3.08Å | ||
| 208 | F | 52.1 | Low | 56 | Low | 201 Ų | 201 | 118.6 Ų | 118.6 | 88% | 0.882 | 70% | 0.696 | S | S | * | * | trans | -67.1 | 98.4 | 174.8 | -113 | -94.7 | 0 | 0 | 0 | 109 | H210 | F208-H210 PolarHBondContact O-N 3.16Š| ||
| 209 | Q | 58.7 | Low | 57 | Low | 137 Ų | 137 | 118 Ų | 118 | 64% | 0.64 | 69% | 0.692 | S | S | * | * | trans | -77.1 | 119.8 | 172.2 | -62.2 | -70.8 | 36.3 | 0 | 0 | 108.8 | G207 | G207-Q209 PolarHBondContact O-N 3.08Š| ||
| 210 | H | 59.3 | Low | 58.5 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 37% | 0.366 | 70% | 0.695 | S | S | . | * | trans | -94.7 | 166.7 | 166 | 68.3 | -83.1 | 0 | 0 | 0 | 110 | F208 S212 G213 L214 C216 | F208-H210 PolarHBondContact O-N 3.16Å; H210-S212 PolarHBondContact O-N 2.96Å; H210-G213 PolarHBondContact O-N 2.95Å; H210-G213 VanDerWaalsContact O-N 3.09Å; H210-L214 PolarHBondContact CE1-O 3.32Å; H210-L214 PolarHBondContact ND1-O 3.17Å; H210-C216 PolarHBondContact CE1-N 2.91Å | ||
| 211 | W | 54.9 | Low | 59.5 | Low | 262 Ų | 262 | 119.6 Ų | 119.6 | 99% | 0.992 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.8 | 6.7 | -159.8 | -63.6 | 95.2 | 0 | 0 | 0 | 121.9 | ||
| 212 | S | 60.8 | Low | 60.6 | Low | 86 Ų | 86 | 120.1 Ų | 120.1 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.5 | 11.5 | -179.3 | 41.3 | 0 | 0 | 0 | 0 | 114.5 | H210 L214 | H210-S212 PolarHBondContact O-N 2.96Å; S212-L214 PolarHBondContact O-N 3Å |
| 213 | G | 65.9 | Low | 62.3 | Low | 49 Ų | 49 | 117.2 Ų | 117.2 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | S | Bend | trans | 71.9 | 11.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H210 | H210-G213 PolarHBondContact O-N 2.95Å; H210-G213 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 71.9 | Confident | 63.4 | Low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 143 | 173.7 | -63.6 | 174.4 | 0 | 0 | 0 | 110.4 | H210 S212 | H210-L214 PolarHBondContact CE1-O 3.32Å; H210-L214 PolarHBondContact ND1-O 3.17Å; S212-L214 PolarHBondContact O-N 3Å |
| 215 | P | 69.4 | Low | 64.3 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.2 | 176.6 | 26 | -32.7 | 0 | 0 | 0 | 110.7 | ||
| 216 | C | 72.6 | Confident | 65.2 | Low | 29 Ų | 29 | 112.2 Ų | 112.2 | 20% | 0.196 | 65% | 0.65 | C | S | . | * | P | Polyproline II helix | trans | -64.7 | 140 | 176.6 | 96 | 0 | 0 | 0 | 0 | 109.1 | H210 C218 C221 | H210-C216 PolarHBondContact CE1-N 2.91Å; C216-C218 HydrophobicContact CB-CB 4.34Å; C216-C218 WeakPolarHBondContact CB-SG 3.43Å; C216-C218 PolarHBondContact O-N 3.21Å; C216-C218 VanDerWaalsContact SG-CA 3.56Å; C216-C218 WeakPolarHBondContact SG-CB 3.49Å; C216-C218 PolarHBondContact SG-N 3.33Å; C216-C218 PolarHBondContact SG-O 2.83Å; C216-C218 VanDerWaalsContact SG-O 3.38Å; C216-C218 CovalentContact SG-SG 2.07Å; C216-C218 PolarHBondContact SG-SG 2.9Å; C216-C221 WeakPolarHBondContact SG-CB 3.12Å |
| 217 | P | 70.4 | Confident | 65.6 | Low | 126 Ų | 126 | 111.6 Ų | 111.6 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -78.9 | 9.9 | 173.4 | 33 | -35.8 | 0 | 0 | 0 | 112.7 | ||||
| 218 | C | 74.7 | Confident | 65.8 | Low | 43 Ų | 43 | 117.5 Ų | 117.5 | 29% | 0.291 | 66% | 0.656 | S | S | . | * | trans | -89.1 | 129 | -171.9 | 64 | 0 | 0 | 0 | 0 | 111.2 | C216 I220 C221 Q222 | C216-C218 HydrophobicContact CB-CB 4.34Å; C216-C218 WeakPolarHBondContact CB-SG 3.43Å; C216-C218 PolarHBondContact O-N 3.21Å; C216-C218 VanDerWaalsContact SG-CA 3.56Å; C216-C218 WeakPolarHBondContact SG-CB 3.49Å; C216-C218 PolarHBondContact SG-N 3.33Å; C216-C218 PolarHBondContact SG-O 2.83Å; C216-C218 VanDerWaalsContact SG-O 3.38Å; C216-C218 CovalentContact SG-SG 2.07Å; C216-C218 PolarHBondContact SG-SG 2.9Å; C218-I220 PolarHBondContact O-N 2.66Å; C218-C221 PolarHBondContact O-N 3.02Å; C218-C221 VanDerWaalsContact O-N 3.1Å; C218-C221 PolarHBondContact SG-SG 3.38Å; C218-Q222 PolarHBondContact O-N 3.14Å | ||
| 219 | P | 65.3 | Low | 66.1 | Low | 116 Ų | 116 | 115 Ų | 115 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -11.9 | -176.7 | 26.6 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 220 | I | 76.1 | Confident | 65.7 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 82% | 0.815 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -29.6 | 179.2 | -60.3 | 165.7 | 0 | 0 | 0 | 111.7 | C218 | C218-I220 PolarHBondContact O-N 2.66Š|
| 221 | C | 73.4 | Confident | 65.4 | Low | 74 Ų | 74 | 118 Ų | 118 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.6 | -0.6 | 179.2 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | C216 C218 V223 | C216-C221 WeakPolarHBondContact SG-CB 3.12Å; C218-C221 PolarHBondContact O-N 3.02Å; C218-C221 VanDerWaalsContact O-N 3.1Å; C218-C221 PolarHBondContact SG-SG 3.38Å; C221-V223 PolarHBondContact O-N 3.24Å |
| 222 | Q | 69.7 | Low | 65 | Low | 139 Ų | 139 | 110.9 Ų | 110.9 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | -79 | 109.8 | 172.9 | -158.7 | 157 | 18 | 0 | 0 | 109.1 | C218 | C218-Q222 PolarHBondContact O-N 3.14Š| ||
| 223 | V | 76.9 | Confident | 64.6 | Low | 117 Ų | 117 | 112.3 Ų | 112.3 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 124.5 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | C221 | C221-V223 PolarHBondContact O-N 3.24Š|
| 224 | P | 63.1 | Low | 63.6 | Low | 105 Ų | 105 | 114 Ų | 114 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.7 | 178.4 | 22.8 | -30.5 | 0 | 0 | 0 | 110.5 | ||
| 225 | P | 68.2 | Low | 62.3 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142.1 | 179 | 25.7 | -32.8 | 0 | 0 | 0 | 110.4 | ||
| 226 | P | 59.9 | Low | 61.2 | Low | 113 Ų | 113 | 115.1 Ų | 115.1 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144.6 | 177.2 | 26.2 | -32.5 | 0 | 0 | 0 | 110.6 | H228 | P226-H228 PolarHBondContact O-N 3.03Š|
| 227 | P | 63.6 | Low | 59.8 | Low | 116 Ų | 116 | 120 Ų | 120 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.8 | 178.6 | 25.9 | -32.6 | 0 | 0 | 0 | 110.5 | I229 | P227-I229 PolarHBondContact O-N 2.89Š|
| 228 | H | 55.3 | Low | 58.5 | Low | 177 Ų | 177 | 124.8 Ų | 124.8 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | trans | -67.4 | 115.3 | 172.6 | 42.6 | -91 | 0 | 0 | 0 | 109 | P226 P230 | P226-H228 PolarHBondContact O-N 3.03Å; H228-P230 WeakPolarHBondContact O-CD 3.46Å | ||
| 229 | I | 57.8 | Low | 57.1 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -88.2 | 115.2 | 169.3 | -42.9 | 172.7 | 0 | 0 | 0 | 105.9 | P227 I231 | P227-I229 PolarHBondContact O-N 2.89Å; I229-I231 PolarHBondContact O-N 2.77Å | ||
| 230 | P | 51.4 | Low | 56 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -67.2 | 118 | 175.2 | 25.9 | -30.5 | 0 | 0 | 0 | 108.9 | H228 S232 | H228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 2.89Å | ||
| 231 | I | 51.7 | Low | 54.4 | Low | 165 Ų | 165 | 128.7 Ų | 128.7 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -71.1 | 95.5 | 168.9 | -61.3 | 172.3 | 0 | 0 | 0 | 106.3 | I229 S233 | I229-I231 PolarHBondContact O-N 2.77Å; I231-S233 PolarHBondContact O-N 2.58Å | ||
| 232 | S | 46.8 | Very low | 52.9 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 103.9 | 169.6 | -143.1 | 0 | 0 | 0 | 0 | 107.7 | P230 A234 | P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 2.89Å; S232-A234 PolarHBondContact O-N 2.83Å | ||
| 233 | S | 51.8 | Low | 51.7 | Low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -70.5 | 82.3 | 167.8 | 58.6 | 0 | 0 | 0 | 0 | 109 | I231 | I231-S233 PolarHBondContact O-N 2.58Š| ||
| 234 | A | 45.7 | Very low | 50.4 | Low | 85 Ų | 85 | 138.6 Ų | 138.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -80.9 | 119.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S232 | S232-A234 PolarHBondContact O-N 2.83Š| ||
| 235 | G | 45.6 | Very low | 49.8 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 135.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | L | 45.9 | Very low | 48.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -89.6 | 102.6 | 164 | -70.3 | 172.5 | 0 | 0 | 0 | 107.9 | R238 | L236-R238 PolarHBondContact O-N 3.39Š| ||
| 237 | T | 43.7 | Very low | 48.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -61.7 | 114.5 | 161.6 | 43.3 | 0 | 0 | 0 | 0 | 109 | L239 | T237-L239 PolarHBondContact O-N 3.33Š| ||
| 238 | R | 41.3 | Very low | 47.2 | Very low | 225 Ų | 225 | 152.9 Ų | 152.9 | 85% | 0.849 | 83% | 0.834 | S | S | * | * | trans | -70.2 | 104.9 | 174.6 | -173.4 | -178.8 | -174.8 | -128.2 | 2.7 | 109.5 | L236 | L236-R238 PolarHBondContact O-N 3.39Š| ||
| 239 | L | 46 | Very low | 46.8 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -114.8 | 106.6 | 161.2 | -74.2 | 172.6 | 0 | 0 | 0 | 107.6 | T237 | T237-L239 PolarHBondContact O-N 3.33Š| ||
| 240 | T | 43.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 71% | 0.712 | 84% | 0.838 | S | S | * | * | trans | -136.8 | 113 | 163.4 | 57.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 241 | S | 42.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -55.2 | 149.1 | 177.6 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 242 | E | 41 | Very low | 45.6 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -47.1 | 134.2 | 159.8 | -82 | -163.9 | 84.3 | 0 | 0 | 111.5 | ||||
| 243 | N | 44.3 | Very low | 45.5 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | trans | -138.2 | 136.7 | 146.5 | -139.3 | -13.9 | 0 | 0 | 0 | 109.2 | ||||
| 244 | K | 50.4 | Low | 45.1 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 82% | 0.817 | 85% | 0.849 | S | S | * | * | trans | -89.8 | 122.8 | -156.8 | 177.1 | 174.8 | 173.6 | 176.9 | 0 | 110.5 | ||||
| 245 | D | 49.5 | Very low | 45.1 | Very low | 148 Ų | 148 | 163.8 Ų | 163.8 | 79% | 0.791 | 86% | 0.86 | S | S | * | * | trans | -68.8 | 140.2 | 162.3 | -83.4 | -70.8 | 0 | 0 | 0 | 110.7 | ||||
| 246 | V | 47.5 | Very low | 45 | Very low | 129 Ų | 129 | 170.8 Ų | 170.8 | 78% | 0.782 | 87% | 0.869 | S | S | * | * | trans | 160.2 | 107.4 | 131.4 | 153.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 247 | M | 46.3 | Very low | 45 | Very low | 192 Ų | 192 | 170.6 Ų | 170.6 | 95% | 0.946 | 87% | 0.865 | S | S | * | * | trans | -153.7 | 85.4 | 148.9 | -116.4 | 132.7 | -176.1 | 0 | 0 | 109 | ||||
| 248 | K | 44 | Very low | 45.1 | Very low | 282 Ų | 282 | 174.1 Ų | 174.1 | 100% | 1.226 | 87% | 0.87 | S | S | * | * | trans | -167.4 | 0 | 140 | -123.6 | 168 | 177.8 | 175.5 | 0 | 110.9 |
Retrieved 248 of 248 residues in 93.1 ms
(Link to these results)