| 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 | 45.1 | Very low | 48.8 | Very low | 248 Ų | 248 | 121.5 Ų | 121.5 | 100% | 1.222 | 68% | 0.681 | S | S | * | * | 0 | 42.1 | 0 | -67.3 | 155.8 | 70.1 | 0 | 0 | 112 | |||||
| 2 | S | 47.5 | Very low | 49.3 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | trans | -121.8 | -17.1 | -175.9 | -164.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | A | 43.4 | Very low | 49.4 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.9 | -20.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 4 | S | 47.6 | Very low | 49.4 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.4 | -39.8 | 179 | -173 | 0 | 0 | 0 | 0 | 112.2 | H6 M7 D8 | S4-H6 VanDerWaalsContact C-N 3.32Å; S4-H6 PolarHBondContact O-N 3.16Å; S4-M7 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.29Å |
| 5 | A | 48 | Very low | 49.4 | Very low | 73 Ų | 73 | 116.1 Ų | 116.1 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.6 | -24.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | H | 47.4 | Very low | 49.4 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.3 | -33 | -179.4 | -163.9 | -95.6 | 0 | 0 | 0 | 112.5 | S4 A10 | S4-H6 VanDerWaalsContact C-N 3.32Å; S4-H6 PolarHBondContact O-N 3.16Å; H6-A10 PolarHBondContact O-N 2.91Å |
| 7 | M | 46.5 | Very low | 49.1 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.3 | -36.5 | 177.5 | -163.1 | 177.2 | 76.8 | 0 | 0 | 111.7 | S4 Y9 A10 M11 | S4-M7 PolarHBondContact O-N 2.95Å; M7-Y9 VanDerWaalsContact C-N 3.3Å; M7-Y9 PolarHBondContact O-N 2.69Å; M7-A10 PolarHBondContact O-N 3.35Å; M7-M11 PolarHBondContact O-N 3.42Å |
| 8 | D | 50.6 | Low | 48.9 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.1 | -29.6 | 178.4 | -69.1 | -41.1 | 0 | 0 | 0 | 113 | S4 K12 | S4-D8 PolarHBondContact O-N 3.29Å; D8-K12 PolarHBondContact O-N 3.1Å |
| 9 | Y | 54.2 | Low | 48.8 | Very low | 181 Ų | 181 | 114.8 Ų | 114.8 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.9 | -40.3 | 176.2 | -173.9 | -99.3 | 0 | 0 | 0 | 112.3 | M7 K12 S13 | M7-Y9 VanDerWaalsContact C-N 3.3Å; M7-Y9 PolarHBondContact O-N 2.69Å; Y9-K12 PolarHBondContact O-N 3.04Å; Y9-S13 PolarHBondContact O-OG 3.23Å |
| 10 | A | 52.1 | Low | 48.6 | Very low | 46 Ų | 46 | 114 Ų | 114 | 38% | 0.38 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70 | -33.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H6 M7 K12 S13 L14 | H6-A10 PolarHBondContact O-N 2.91Å; M7-A10 PolarHBondContact O-N 3.35Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.36Å; A10-S13 WeakPolarHBondContact CA-OG 3.2Å; A10-S13 PolarHBondContact O-N 3.03Å; A10-S13 PolarHBondContact O-OG 3.28Å; A10-S13 VanDerWaalsContact O-OG 3.09Å; A10-L14 PolarHBondContact O-N 3.35Å |
| 11 | M | 53.9 | Low | 48.4 | Very low | 137 Ų | 137 | 111 Ų | 111 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.5 | -31.3 | 177 | -141.5 | -156.4 | -131.3 | 0 | 0 | 112.4 | M7 S13 S15 | M7-M11 PolarHBondContact O-N 3.42Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S15 PolarHBondContact O-N 2.88Å |
| 12 | K | 55.3 | Low | 48.5 | Very low | 164 Ų | 164 | 104.4 Ų | 104.4 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71 | -24.5 | 174.5 | -93.8 | 177.3 | 176.6 | 174.9 | 0 | 114.1 | D8 Y9 A10 S15 | D8-K12 PolarHBondContact O-N 3.1Å; Y9-K12 PolarHBondContact O-N 3.04Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.36Å; K12-S15 PolarHBondContact O-OG 3.03Å |
| 13 | S | 50.8 | Low | 48.4 | Very low | 64 Ų | 64 | 103.9 Ų | 103.9 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -83.7 | -29.5 | 178.6 | 13.9 | 0 | 0 | 0 | 0 | 112.1 | Y9 A10 M11 | Y9-S13 PolarHBondContact O-OG 3.23Å; A10-S13 WeakPolarHBondContact CA-OG 3.2Å; A10-S13 PolarHBondContact O-N 3.03Å; A10-S13 PolarHBondContact O-OG 3.28Å; A10-S13 VanDerWaalsContact O-OG 3.09Å; M11-S13 VanDerWaalsContact C-N 3.34Å |
| 14 | L | 48.9 | Very low | 48.5 | Very low | 118 Ų | 118 | 108 Ų | 108 | 62% | 0.618 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.8 | -23 | 176.2 | -73.4 | 168.3 | 0 | 0 | 0 | 113.9 | A10 L16 L17 | A10-L14 PolarHBondContact O-N 3.35Å; L14-L16 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-L17 VanDerWaalsContact O-N 3.14Å |
| 15 | S | 50.3 | Low | 48.5 | Very low | 59 Ų | 59 | 109.2 Ų | 109.2 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -68.5 | -17.8 | 177.3 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | M11 K12 L17 T18 | M11-S15 PolarHBondContact O-N 2.88Å; K12-S15 PolarHBondContact O-OG 3.03Å; S15-L17 VanDerWaalsContact C-N 3.26Å; S15-L17 PolarHBondContact O-N 3.08Å; S15-T18 PolarHBondContact O-OG1 3.32Å |
| 16 | L | 48.1 | Very low | 48.3 | Very low | 129 Ų | 129 | 111.5 Ų | 111.5 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -73.4 | -14.5 | 172.6 | -65.4 | 177.2 | 0 | 0 | 0 | 113.7 | L14 | L14-L16 PolarHBondContact O-N 3.43Š|
| 17 | L | 44.2 | Very low | 48.1 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 71% | 0.712 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -101.4 | 8.5 | 179.2 | -65 | 170.4 | 0 | 0 | 0 | 112.9 | L14 S15 | L14-L17 PolarHBondContact O-N 3.37Å; L14-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 VanDerWaalsContact C-N 3.26Å; S15-L17 PolarHBondContact O-N 3.08Å |
| 18 | T | 45.6 | Very low | 47.9 | Very low | 57 Ų | 57 | 108.7 Ų | 108.7 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | trans | -78 | 135.6 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | S15 S20 S21 | S15-T18 PolarHBondContact O-OG1 3.32Å; T18-S20 PolarHBondContact O-N 3.31Å; T18-S21 PolarHBondContact O-N 2.81Å; T18-S21 PolarHBondContact O-OG 3Å | ||
| 19 | P | 47.1 | Very low | 47.7 | Very low | 118 Ų | 118 | 109.7 Ų | 109.7 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -8.5 | -172.4 | 24.2 | -32.2 | 0 | 0 | 0 | 114.4 | ||
| 20 | S | 46.1 | Very low | 47.1 | Very low | 97 Ų | 97 | 107.5 Ų | 107.5 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -13 | 178.6 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | T18 | T18-S20 PolarHBondContact O-N 3.31Š|
| 21 | S | 43.8 | Very low | 47 | Very low | 53 Ų | 53 | 111.6 Ų | 111.6 | 37% | 0.371 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.7 | -17.5 | 176.8 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | T18 S23 | T18-S21 PolarHBondContact O-N 2.81Å; T18-S21 PolarHBondContact O-OG 3Å; S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 2.74Å |
| 22 | L | 47.3 | Very low | 46.5 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78.1 | -6.2 | 177.6 | -70.1 | 173.2 | 0 | 0 | 0 | 114.2 | K24 | L22-K24 PolarHBondContact O-N 2.96Š|
| 23 | S | 44.7 | Very low | 46 | Very low | 95 Ų | 95 | 106.7 Ų | 106.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -76.1 | -2.6 | 175.6 | 71.1 | 0 | 0 | 0 | 0 | 114 | S21 | S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 2.74Å |
| 24 | K | 45.9 | Very low | 45.5 | Very low | 176 Ų | 176 | 109 Ų | 109 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -117.5 | 4.4 | -177.8 | -76.2 | -179 | 176.8 | 174.2 | 0 | 115.1 | L22 | L22-K24 PolarHBondContact O-N 2.96Š|
| 25 | V | 47.7 | Very low | 45.5 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111 | 18.4 | -176.8 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 26 | V | 43.4 | Very low | 45.3 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -121.5 | 24.3 | 173.5 | -162 | 0 | 0 | 0 | 0 | 112.5 | ||
| 27 | T | 43.6 | Very low | 45.1 | Very low | 118 Ų | 118 | 113.8 Ų | 113.8 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -110.7 | 11.9 | 178.7 | 11.9 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | S | 42.4 | Very low | 45.1 | Very low | 109 Ų | 109 | 113 Ų | 113 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -120.3 | 53.8 | 176.6 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 29 | S | 45.2 | Very low | 45.2 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -163.5 | 43.4 | 165.1 | 47.4 | 0 | 0 | 0 | 0 | 113 | ||
| 30 | V | 42.2 | Very low | 45 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -130.7 | 64.8 | 162.1 | -73.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 31 | S | 49.8 | Very low | 44.9 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 92% | 0.923 | 76% | 0.757 | S | S | * | * | trans | -100.4 | 83.3 | 149.6 | -165 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 32 | A | 43.3 | Very low | 44.8 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -151.4 | 102.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 33 | S | 44.6 | Very low | 44.6 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 74.9 | 58.4 | 150.9 | -49.5 | 0 | 0 | 0 | 0 | 118 | S35 | S33-S35 PolarHBondContact O-N 3.34Š| ||
| 34 | A | 42.1 | Very low | 44.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | -84.5 | 67.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 35 | S | 48.4 | Very low | 44.9 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -160 | 62.9 | 167 | -152.1 | 0 | 0 | 0 | 0 | 111.5 | S33 | S33-S35 PolarHBondContact O-N 3.34Š| ||
| 36 | M | 45.4 | Very low | 45.5 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -142.4 | 57.7 | 168.7 | -66.3 | -149.6 | 93.7 | 0 | 0 | 111.6 | ||
| 37 | T | 45.1 | Very low | 47 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -149.4 | -2 | 165.5 | 35.1 | 0 | 0 | 0 | 0 | 116 | ||
| 38 | S | 43.2 | Very low | 48.8 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -97.8 | 16.1 | 177.7 | -102.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 39 | Q | 47.4 | Very low | 50.9 | Low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -101.2 | -0.2 | -179.8 | -65 | -165.7 | 21.4 | 0 | 0 | 114.8 | ||
| 40 | L | 43.1 | Very low | 53.1 | Low | 162 Ų | 162 | 118.5 Ų | 118.5 | 85% | 0.848 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.1 | -178.6 | -65.7 | 179.1 | 0 | 0 | 0 | 114.5 | ||
| 41 | L | 44.8 | Very low | 55.3 | Low | 170 Ų | 170 | 112 Ų | 112 | 89% | 0.89 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 31 | -176.1 | -66.4 | 175.4 | 0 | 0 | 0 | 114.6 | ||
| 42 | S | 41.1 | Very low | 57.3 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -106.7 | 106.1 | 162.2 | -84.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 43 | G | 42 | Very low | 59.5 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | trans | -46.4 | 146.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | T45 | G43-T45 WeakPolarHBondContact O-CG2 3.49Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 PolarHBondContact O-OG1 3Å | ||
| 44 | R | 47.5 | Very low | 61.7 | Low | 255 Ų | 255 | 102.5 Ų | 102.5 | 96% | 0.962 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -34.9 | 78.4 | -178.9 | -160.1 | -179.5 | -170.4 | -155.9 | 3 | 113 | ||
| 45 | T | 49.4 | Very low | 63.8 | Low | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | trans | -106.9 | 105.2 | 172.2 | 42.8 | 0 | 0 | 0 | 0 | 103.8 | G43 R47 | G43-T45 WeakPolarHBondContact O-CG2 3.49Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 PolarHBondContact O-OG1 3Å; T45-R47 PolarHBondContact O-N 3.14Å | ||
| 46 | L | 61.6 | Low | 65.5 | Low | 83 Ų | 83 | 94.9 Ų | 94.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | trans | -61.4 | 105.2 | 174.3 | -80.4 | 156.4 | 0 | 0 | 0 | 106.2 | E67 | L46-E67 HydrophobicContact CB-CG 3.59Å; L46-E67 WeakPolarHBondContact CB-OE1 3.11Å; L46-E67 VanDerWaalsContact O-CD 3.29Å | ||
| 47 | R | 74.1 | Confident | 67.1 | Low | 173 Ų | 173 | 93.2 Ų | 93.2 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 139 | 175.7 | -68.2 | -171.2 | 178 | -171.6 | -0.4 | 108 | T45 K49 | T45-R47 PolarHBondContact O-N 3.14Å; R47-K49 PolarHBondContact O-N 2.59Å |
| 48 | P | 82.3 | Confident | 68.8 | Low | 67 Ų | 67 | 89.3 Ų | 89.3 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 124.4 | 173.6 | -25.5 | 33.7 | 0 | 0 | 0 | 110.3 | M65 | P48-M65 HydrophobicContact CB-CB 4.38Å; P48-M65 HydrophobicContact CB-CE 4.15Å; P48-M65 WeakPolarHBondContact O-CE 3.32Å |
| 49 | K | 86.5 | Confident | 70.5 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 142 | 178.7 | -70 | 173.1 | -179.9 | 168.4 | 0 | 109.5 | R47 F51 M65 A66 Q104 | R47-K49 PolarHBondContact O-N 2.59Å; K49-F51 HydrophobicContact CB-CD2 4.4Å; K49-F51 HydrophobicContact CB-CE2 3.51Å; K49-F51 HydrophobicContact CB-CZ 3.62Å; K49-F51 HydrophobicContact CD-CZ 4.12Å; K49-F51 VanDerWaalsContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CD2 3.35Å; K49-F51 WeakPolarHBondContact O-CE2 3.49Å; K49-M65 WeakPolarHBondContact O-CA 3.44Å; K49-A66 PolarHBondContact N-O 2.87Å; K49-A66 PolarHBondContact O-N 2.76Å; K49-Q104 PolarHBondContact NZ-O 3.03Å |
| 50 | P | 90.2 | Very high | 72.1 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.6 | 173.1 | 28.4 | -31.2 | 0 | 0 | 0 | 110.9 | M65 E108 N109 | P50-M65 WeakPolarHBondContact CA-SD 3.31Å; P50-M65 HydrophobicContact CB-CE 4.42Å; P50-M65 HydrophobicContact CB-SD 3.54Å; P50-M65 VanDerWaalsContact CB-SD 3.54Å; P50-M65 HydrophobicContact CG-SD 4.41Å; P50-E108 HydrophobicContact CG-CB 4.43Å; P50-N109 WeakPolarHBondContact O-CA 3.47Å; P50-N109 PolarHBondContact O-N 3.02Å |
| 51 | F | 89.5 | Confident | 74.3 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 0% | 0.004 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.2 | 172.8 | -61.7 | -79.2 | 0 | 0 | 0 | 110.8 | K49 G63 I64 A66 L72 F103 L112 | K49-F51 HydrophobicContact CB-CD2 4.4Å; K49-F51 HydrophobicContact CB-CE2 3.51Å; K49-F51 HydrophobicContact CB-CZ 3.62Å; K49-F51 HydrophobicContact CD-CZ 4.12Å; K49-F51 VanDerWaalsContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CD2 3.35Å; K49-F51 WeakPolarHBondContact O-CE2 3.49Å; F51-G63 CarbonylContact O-C 3.36Å; F51-G63 WeakPolarHBondContact O-CA 3.3Å; F51-I64 PolarHBondContact N-O 2.79Å; F51-I64 PolarHBondContact O-N 3.26Å; F51-A66 HydrophobicContact CD2-CB 4.16Å; F51-A66 HydrophobicContact CE2-CB 4.32Å; F51-L72 HydrophobicContact CB-CD1 4.4Å; F51-F103 HydrophobicContact CD1-CE2 4.2Å; F51-F103 HydrophobicContact CD2-CE2 4.03Å; F51-F103 AromaticContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CE1-CD2 4.44Å; F51-F103 AromaticContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CZ 4.16Å; F51-F103 HydrophobicContact CE2-CE1 4.17Å; F51-F103 AromaticContact CE2-CE2 3.52Å; F51-F103 HydrophobicContact CE2-CE2 3.52Å; F51-F103 AromaticContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CG-CE2 4.34Å; F51-F103 HydrophobicContact CZ-CD2 4.25Å; F51-F103 HydrophobicContact CZ-CE1 4.14Å; F51-F103 AromaticContact CZ-CE2 3.32Å; F51-F103 HydrophobicContact CZ-CE2 3.32Å; F51-F103 AromaticContact CZ-CZ 3.3Å; F51-F103 HydrophobicContact CZ-CZ 3.3Å; F51-L112 HydrophobicContact CB-CD1 4.29Å; F51-L112 HydrophobicContact CD1-CD1 4.06Å; F51-L112 HydrophobicContact CG-CD1 4.34Å |
| 52 | R | 91.8 | Very high | 76.4 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 46% | 0.457 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.3 | 176.4 | -72.7 | 172.3 | 169.9 | -167.8 | -3.1 | 108.1 | K62 T110 V111 L112 | R52-K62 CarbonylContact C-O 3.53Å; R52-K62 WeakPolarHBondContact CA-O 3.38Å; R52-T110 PolarHBondContact N-O 2.79Å; R52-V111 HydrophobicContact CB-CG2 4.24Å; R52-V111 CarbonylContact O-C 3.49Å; R52-V111 VanDerWaalsContact O-CA 3.26Å; R52-V111 WeakPolarHBondContact O-CA 3.41Å; R52-L112 PolarHBondContact O-N 3.32Å |
| 53 | V | 90.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.1 | -179.5 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | K61 K62 I64 L72 V76 F80 L112 V114 | V53-K61 CarbonylContact O-C 3.53Å; V53-K61 WeakPolarHBondContact O-CA 2.82Å; V53-K62 PolarHBondContact N-O 2.94Å; V53-K62 PolarHBondContact O-N 3.2Å; V53-I64 HydrophobicContact CB-CD1 4.18Å; V53-I64 HydrophobicContact CG2-CD1 3.88Å; V53-I64 HydrophobicContact CG2-CG1 4.44Å; V53-L72 HydrophobicContact CG2-CD1 4.11Å; V53-V76 HydrophobicContact CB-CG2 4.28Å; V53-V76 HydrophobicContact CG1-CG1 4.21Å; V53-V76 HydrophobicContact CG1-CG2 3.97Å; V53-V76 HydrophobicContact CG2-CG2 3.85Å; V53-F80 HydrophobicContact CB-CE2 3.97Å; V53-F80 HydrophobicContact CB-CZ 4.28Å; V53-F80 HydrophobicContact CG1-CE2 3.77Å; V53-F80 HydrophobicContact CG1-CZ 4.07Å; V53-L112 CarbonylContact C-O 3.54Å; V53-L112 VanDerWaalsContact CA-O 3.22Å; V53-L112 WeakPolarHBondContact CA-O 3.31Å; V53-L112 HydrophobicContact CG2-CB 4.37Å; V53-V114 HydrophobicContact CG1-CB 4.21Å |
| 54 | T | 89.2 | Confident | 81 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.2 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 112 | V60 K61 V111 L112 M113 V114 | T54-V60 VanDerWaalsContact CA-O 3.29Å; T54-V60 WeakPolarHBondContact CA-O 3.35Å; T54-K61 HydrophobicContact CG2-CB 3.85Å; T54-K61 HydrophobicContact CG2-CD 3.9Å; T54-K61 HydrophobicContact CG2-CG 3.64Å; T54-V111 HydrophobicContact CG2-CG1 4.21Å; T54-L112 PolarHBondContact N-O 3.39Å; T54-L112 PolarHBondContact OG1-O 3.01Å; T54-M113 WeakPolarHBondContact O-CA 3.32Å; T54-V114 PolarHBondContact O-N 3.13Å |
| 55 | N | 87.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -72 | 165.1 | 167.4 | -161.5 | -9.9 | 0 | 0 | 0 | 110.8 | D57 R58 V60 F80 | N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 2.7Å; N55-R58 WeakPolarHBondContact O-CA 3.39Å; N55-R58 PolarHBondContact O-N 3.18Å; N55-V60 PolarHBondContact N-O 3.45Å; N55-V60 VanDerWaalsContact N-O 3.14Å; N55-F80 HydrophobicContact CB-CD1 4.47Å; N55-F80 HydrophobicContact CB-CE1 4.16Å | ||
| 56 | V | 83.9 | Confident | 85 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -43.7 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | R58 V114 L115 Q119 | V56-R58 PolarHBondContact O-N 3.36Å; V56-R58 VanDerWaalsContact O-N 3.15Å; V56-V114 VanDerWaalsContact CG2-O 3.32Å; V56-V114 WeakPolarHBondContact CG2-O 3.37Å; V56-L115 HydrophobicContact CG2-CD2 3.56Å; V56-Q119 HydrophobicContact CG2-CB 4.21Å |
| 57 | D | 79.4 | Confident | 86.3 | Confident | 129 Ų | 129 | 61 Ų | 61 | 69% | 0.69 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.2 | 177.2 | -60.9 | -34.9 | 0 | 0 | 0 | 113.1 | N55 S59 | N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 2.7Å; D57-S59 PolarHBondContact O-N 2.84Å |
| 58 | R | 79.4 | Confident | 87 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 52.9 | 16.2 | -174.4 | -58.9 | 175.5 | 175.2 | 94.7 | -4.8 | 113.9 | N55 V56 D91 M113 S122 | N55-R58 WeakPolarHBondContact O-CA 3.39Å; N55-R58 PolarHBondContact O-N 3.18Å; V56-R58 PolarHBondContact O-N 3.36Å; V56-R58 VanDerWaalsContact O-N 3.15Å; R58-D91 IonicContact CZ-OD1 2.78Å; R58-D91 VanDerWaalsContact CZ-OD1 3.29Å; R58-D91 IonicContact NE-OD1 2.71Å; R58-D91 PolarHBondContact NE-OD1 2.64Å; R58-D91 IonicContact NH2-OD1 3.44Å; R58-D91 PolarHBondContact NH2-OD1 2.81Å; R58-M113 HydrophobicContact CG-CE 3.77Å; R58-M113 VanDerWaalsContact CZ-CE 3.44Å; R58-S122 PolarHBondContact NH1-O 3.42Å; R58-S122 PolarHBondContact NH2-O 3.35Å |
| 59 | S | 80 | Confident | 87.3 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | trans | -72 | -32.6 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | D57 | D57-S59 PolarHBondContact O-N 2.84Š| ||
| 60 | V | 81.3 | Confident | 87.4 | Confident | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | trans | -122.5 | 128.9 | -178.6 | -179 | 0 | 0 | 0 | 0 | 109.4 | T54 N55 K62 F80 | T54-V60 VanDerWaalsContact CA-O 3.29Å; T54-V60 WeakPolarHBondContact CA-O 3.35Å; N55-V60 PolarHBondContact N-O 3.45Å; N55-V60 VanDerWaalsContact N-O 3.14Å; V60-K62 HydrophobicContact CG1-CD 4.38Å; V60-K62 HydrophobicContact CG1-CG 4.06Å; V60-F80 HydrophobicContact CB-CE1 4.3Å; V60-F80 HydrophobicContact CG1-CE1 4.05Å | ||
| 61 | K | 89.3 | Confident | 87.4 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.5 | 176.3 | -172.5 | 165.7 | -170.5 | 166.5 | 0 | 110.1 | V53 T54 | V53-K61 CarbonylContact O-C 3.53Å; V53-K61 WeakPolarHBondContact O-CA 2.82Å; T54-K61 HydrophobicContact CG2-CB 3.85Å; T54-K61 HydrophobicContact CG2-CD 3.9Å; T54-K61 HydrophobicContact CG2-CG 3.64Å |
| 62 | K | 88.1 | Confident | 87.5 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.2 | -178.6 | -60.7 | -168.8 | 178.8 | -167.2 | 0 | 110.4 | R52 V53 V60 S79 F80 | R52-K62 CarbonylContact C-O 3.53Å; R52-K62 WeakPolarHBondContact CA-O 3.38Å; V53-K62 PolarHBondContact N-O 2.94Å; V53-K62 PolarHBondContact O-N 3.2Å; V60-K62 HydrophobicContact CG1-CD 4.38Å; V60-K62 HydrophobicContact CG1-CG 4.06Å; K62-S79 PolarHBondContact NZ-O 3.2Å; K62-F80 HydrophobicContact CB-CE2 4.07Å; K62-F80 HydrophobicContact CB-CZ 4.08Å; K62-F80 HydrophobicContact CD-CD2 4.37Å; K62-F80 HydrophobicContact CD-CE2 4.04Å; K62-F80 HydrophobicContact CD-CZ 4.12Å; K62-F80 HydrophobicContact CG-CE2 4.18Å; K62-F80 HydrophobicContact CG-CZ 3.94Å |
| 63 | G | 90.9 | Very high | 87.3 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F51 | F51-G63 CarbonylContact O-C 3.36Å; F51-G63 WeakPolarHBondContact O-CA 3.3Å |
| 64 | I | 90 | Very high | 87.3 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.4 | -178.6 | -58.6 | 176.8 | 0 | 0 | 0 | 108.6 | F51 V53 L72 K75 V76 S79 | F51-I64 PolarHBondContact N-O 2.79Å; F51-I64 PolarHBondContact O-N 3.26Å; V53-I64 HydrophobicContact CB-CD1 4.18Å; V53-I64 HydrophobicContact CG2-CD1 3.88Å; V53-I64 HydrophobicContact CG2-CG1 4.44Å; I64-L72 HydrophobicContact CB-CD1 3.98Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG2-CD1 3.71Å; I64-K75 HydrophobicContact CG2-CB 3.57Å; I64-K75 HydrophobicContact CG2-CD 3.77Å; I64-K75 HydrophobicContact CG2-CG 4.3Å; I64-V76 HydrophobicContact CD1-CB 4.24Å; I64-V76 HydrophobicContact CD1-CG2 3.37Å; I64-S79 WeakPolarHBondContact CD1-OG 3.35Å |
| 65 | M | 91.1 | Very high | 87.4 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119 | 171.6 | -63.7 | -62.2 | -63.2 | 0 | 0 | 108.2 | P48 K49 P50 K75 | P48-M65 HydrophobicContact CB-CB 4.38Å; P48-M65 HydrophobicContact CB-CE 4.15Å; P48-M65 WeakPolarHBondContact O-CE 3.32Å; K49-M65 WeakPolarHBondContact O-CA 3.44Å; P50-M65 WeakPolarHBondContact CA-SD 3.31Å; P50-M65 HydrophobicContact CB-CE 4.42Å; P50-M65 HydrophobicContact CB-SD 3.54Å; P50-M65 VanDerWaalsContact CB-SD 3.54Å; P50-M65 HydrophobicContact CG-SD 4.41Å; M65-K75 WeakPolarHBondContact O-CD 3.39Å; M65-K75 PolarHBondContact O-NZ 3.15Å |
| 66 | A | 88.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | K49 F51 D71 L72 F103 | K49-A66 PolarHBondContact N-O 2.87Å; K49-A66 PolarHBondContact O-N 2.76Å; F51-A66 HydrophobicContact CD2-CB 4.16Å; F51-A66 HydrophobicContact CE2-CB 4.32Å; A66-D71 WeakPolarHBondContact CA-OD2 3.48Å; A66-L72 HydrophobicContact CB-CB 3.58Å; A66-L72 HydrophobicContact CB-CD1 3.92Å; A66-L72 HydrophobicContact CB-CG 4.3Å; A66-F103 HydrophobicContact CB-CZ 4.29Å |
| 67 | E | 88.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -95.2 | -38.2 | 175.3 | -169.9 | -177.2 | 152.6 | 0 | 0 | 111.8 | L46 D71 Q104 | L46-E67 HydrophobicContact CB-CG 3.59Å; L46-E67 WeakPolarHBondContact CB-OE1 3.11Å; L46-E67 VanDerWaalsContact O-CD 3.29Å; E67-D71 PolarHBondContact N-OD2 2.91Å; E67-Q104 PolarHBondContact O-NE2 3.39Å |
| 68 | T | 88.8 | Confident | 88 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -126.2 | 160.3 | -179.3 | 63 | 0 | 0 | 0 | 0 | 111 | L70 D71 L72 E100 F103 | T68-L70 PolarHBondContact O-N 2.76Å; T68-D71 PolarHBondContact O-N 3.19Å; T68-D71 VanDerWaalsContact OG1-CB 3.31Å; T68-D71 WeakPolarHBondContact OG1-CB 3.28Å; T68-D71 PolarHBondContact OG1-N 3.5Å; T68-L72 PolarHBondContact O-N 3.32Å; T68-E100 WeakPolarHBondContact CA-OE1 3.29Å; T68-F103 VanDerWaalsContact C-CE1 3.42Å |
| 69 | L | 88.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 176.2 | -178.6 | 60.3 | 0 | 0 | 0 | 111.5 | L72 T73 L88 V97 E100 F103 | L69-L72 PolarHBondContact O-N 3.11Å; L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-OG1 2.77Å; L69-L88 HydrophobicContact CD1-CD2 3.77Å; L69-V97 HydrophobicContact CD1-CG1 3.75Å; L69-V97 HydrophobicContact CD2-CG1 4.37Å; L69-E100 WeakPolarHBondContact CB-OE2 3.16Å; L69-E100 PolarHBondContact N-OE2 2.72Å; L69-F103 HydrophobicContact CB-CB 4.21Å; L69-F103 HydrophobicContact CB-CD1 4.2Å; L69-F103 HydrophobicContact CB-CG 4.1Å; L69-F103 HydrophobicContact CD1-CB 4.45Å; L69-F103 HydrophobicContact CD1-CD2 4.2Å; L69-F103 HydrophobicContact CD1-CG 4.35Å |
| 70 | L | 89.2 | Confident | 88.3 | Confident | 119 Ų | 119 | 54.8 Ų | 54.8 | 62% | 0.623 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 175.9 | -172.1 | 153.4 | 0 | 0 | 0 | 111.3 | T68 L72 T73 N74 | T68-L70 PolarHBondContact O-N 2.76Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.74Å; L70-T73 PolarHBondContact O-N 3.01Å; L70-N74 VanDerWaalsContact CD2-ND2 3.32Å; L70-N74 WeakPolarHBondContact CD2-ND2 3.47Å; L70-N74 PolarHBondContact O-N 3.08Å |
| 71 | D | 90.7 | Very high | 88.2 | Confident | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 175.2 | 177.4 | 44.3 | 0 | 0 | 0 | 111.5 | A66 E67 T68 K75 | A66-D71 WeakPolarHBondContact CA-OD2 3.48Å; E67-D71 PolarHBondContact N-OD2 2.91Å; T68-D71 PolarHBondContact O-N 3.19Å; T68-D71 VanDerWaalsContact OG1-CB 3.31Å; T68-D71 WeakPolarHBondContact OG1-CB 3.28Å; T68-D71 PolarHBondContact OG1-N 3.5Å; D71-K75 WeakPolarHBondContact O-CB 3.07Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.25Å; D71-K75 WeakPolarHBondContact OD1-CE 3.43Å; D71-K75 IonicContact OD1-NZ 3.16Å; D71-K75 PolarHBondContact OD1-NZ 3.24Å; D71-K75 IonicContact OD2-NZ 2.86Å; D71-K75 PolarHBondContact OD2-NZ 2.79Å |
| 72 | L | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 173.5 | -177.9 | 61.9 | 0 | 0 | 0 | 111.2 | F51 V53 I64 A66 T68 L69 L70 N74 K75 V76 L88 F103 L112 | F51-L72 HydrophobicContact CB-CD1 4.4Å; V53-L72 HydrophobicContact CG2-CD1 4.11Å; I64-L72 HydrophobicContact CB-CD1 3.98Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG2-CD1 3.71Å; A66-L72 HydrophobicContact CB-CB 3.58Å; A66-L72 HydrophobicContact CB-CD1 3.92Å; A66-L72 HydrophobicContact CB-CG 4.3Å; T68-L72 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.74Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.92Å; L72-V76 HydrophobicContact CD1-CG2 3.92Å; L72-V76 HydrophobicContact CG-CG2 4.1Å; L72-V76 VanDerWaalsContact O-CB 3.31Å; L72-V76 WeakPolarHBondContact O-CB 3.21Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å; L72-V76 PolarHBondContact O-N 2.85Å; L72-L88 HydrophobicContact CD2-CD2 3.61Å; L72-L88 HydrophobicContact CG-CD2 4.36Å; L72-F103 HydrophobicContact CB-CZ 4.37Å; L72-F103 HydrophobicContact CD2-CD2 4.29Å; L72-F103 HydrophobicContact CD2-CE2 3.52Å; L72-F103 HydrophobicContact CD2-CZ 4.14Å; L72-L112 HydrophobicContact CD2-CD1 3.57Å |
| 73 | T | 89.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | -176.6 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | L69 L70 V76 S77 V85 | L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-OG1 2.77Å; L70-T73 PolarHBondContact O-N 3.01Å; T73-V76 PolarHBondContact O-N 2.78Å; T73-S77 PolarHBondContact O-N 3.3Å; T73-V85 HydrophobicContact CG2-CB 4.07Å; T73-V85 HydrophobicContact CG2-CG1 4.19Å; T73-V85 HydrophobicContact CG2-CG2 4.38Å |
| 74 | N | 89.2 | Confident | 85.7 | Confident | 88 Ų | 88 | 59 Ų | 59 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 175.7 | -69.6 | -17.8 | 0 | 0 | 0 | 111.5 | L70 L72 V76 S77 D78 | L70-N74 VanDerWaalsContact CD2-ND2 3.32Å; L70-N74 WeakPolarHBondContact CD2-ND2 3.47Å; L70-N74 PolarHBondContact O-N 3.08Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 3.31Å; N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 2.68Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-S77 VanDerWaalsContact O-N 3.13Å; N74-D78 PolarHBondContact O-N 3.5Å |
| 75 | K | 90.8 | Very high | 85.1 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -33 | 178 | -74 | 170.8 | 175.9 | 159.8 | 0 | 112.7 | I64 M65 D71 L72 S79 | I64-K75 HydrophobicContact CG2-CB 3.57Å; I64-K75 HydrophobicContact CG2-CD 3.77Å; I64-K75 HydrophobicContact CG2-CG 4.3Å; M65-K75 WeakPolarHBondContact O-CD 3.39Å; M65-K75 PolarHBondContact O-NZ 3.15Å; D71-K75 WeakPolarHBondContact O-CB 3.07Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.25Å; D71-K75 WeakPolarHBondContact OD1-CE 3.43Å; D71-K75 IonicContact OD1-NZ 3.16Å; D71-K75 PolarHBondContact OD1-NZ 3.24Å; D71-K75 IonicContact OD2-NZ 2.86Å; D71-K75 PolarHBondContact OD2-NZ 2.79Å; L72-K75 PolarHBondContact O-N 2.92Å; K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.98Å; K75-S79 PolarHBondContact O-OG 2.77Å |
| 76 | V | 89.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -46 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | V53 I64 L72 T73 N74 D78 S79 F80 V85 V114 | V53-V76 HydrophobicContact CB-CG2 4.28Å; V53-V76 HydrophobicContact CG1-CG1 4.21Å; V53-V76 HydrophobicContact CG1-CG2 3.97Å; V53-V76 HydrophobicContact CG2-CG2 3.85Å; I64-V76 HydrophobicContact CD1-CB 4.24Å; I64-V76 HydrophobicContact CD1-CG2 3.37Å; L72-V76 HydrophobicContact CD1-CG2 3.92Å; L72-V76 HydrophobicContact CG-CG2 4.1Å; L72-V76 VanDerWaalsContact O-CB 3.31Å; L72-V76 WeakPolarHBondContact O-CB 3.21Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å; L72-V76 PolarHBondContact O-N 2.85Å; T73-V76 PolarHBondContact O-N 2.78Å; N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 2.68Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 3.16Å; V76-S79 WeakPolarHBondContact CA-OG 3.36Å; V76-S79 PolarHBondContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.3Å; V76-F80 HydrophobicContact CG1-CD2 3.93Å; V76-F80 HydrophobicContact CG1-CE2 4.42Å; V76-F80 WeakPolarHBondContact O-CB 3.18Å; V76-F80 WeakPolarHBondContact O-CD2 3.44Å; V76-F80 PolarHBondContact O-N 3.31Å; V76-V85 HydrophobicContact CG1-CG2 4.2Å; V76-V114 HydrophobicContact CG1-CB 3.9Å; V76-V114 HydrophobicContact CG1-CG1 4.28Å; V76-V114 HydrophobicContact CG1-CG2 3.42Å; V76-V114 VanDerWaalsContact CG1-CG2 3.42Å |
| 77 | S | 87 | Confident | 84.3 | Confident | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 175.9 | -154.1 | 0 | 0 | 0 | 0 | 111.4 | T73 N74 S81 L82 | T73-S77 PolarHBondContact O-N 3.3Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-S77 VanDerWaalsContact O-N 3.13Å; S77-S81 WeakPolarHBondContact O-CA 3.45Å; S77-S81 PolarHBondContact O-N 2.9Å; S77-L82 PolarHBondContact O-N 3.07Å; S77-L82 VanDerWaalsContact O-N 3.1Å; S77-L82 PolarHBondContact OG-O 3.43Å |
| 78 | D | 86.3 | Confident | 84.3 | Confident | 127 Ų | 127 | 57 Ų | 57 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66 | -46.8 | 179.4 | -67.4 | -22.2 | 0 | 0 | 0 | 111.7 | N74 V76 S81 | N74-D78 PolarHBondContact O-N 3.5Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 3.16Å; D78-S81 PolarHBondContact O-N 3.23Å |
| 79 | S | 85.1 | Confident | 84.4 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.7 | -36.2 | -175.3 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | K62 I64 K75 V76 | K62-S79 PolarHBondContact NZ-O 3.2Å; I64-S79 WeakPolarHBondContact CD1-OG 3.35Å; K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.98Å; K75-S79 PolarHBondContact O-OG 2.77Å; V76-S79 WeakPolarHBondContact CA-OG 3.36Å; V76-S79 PolarHBondContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.3Å |
| 80 | F | 81.4 | Confident | 84.3 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -91.6 | -0.8 | 177.7 | -72.4 | -96.4 | 0 | 0 | 0 | 113.1 | V53 N55 V60 K62 V76 L82 | V53-F80 HydrophobicContact CB-CE2 3.97Å; V53-F80 HydrophobicContact CB-CZ 4.28Å; V53-F80 HydrophobicContact CG1-CE2 3.77Å; V53-F80 HydrophobicContact CG1-CZ 4.07Å; N55-F80 HydrophobicContact CB-CD1 4.47Å; N55-F80 HydrophobicContact CB-CE1 4.16Å; V60-F80 HydrophobicContact CB-CE1 4.3Å; V60-F80 HydrophobicContact CG1-CE1 4.05Å; K62-F80 HydrophobicContact CB-CE2 4.07Å; K62-F80 HydrophobicContact CB-CZ 4.08Å; K62-F80 HydrophobicContact CD-CD2 4.37Å; K62-F80 HydrophobicContact CD-CE2 4.04Å; K62-F80 HydrophobicContact CD-CZ 4.12Å; K62-F80 HydrophobicContact CG-CE2 4.18Å; K62-F80 HydrophobicContact CG-CZ 3.94Å; V76-F80 HydrophobicContact CG1-CD2 3.93Å; V76-F80 HydrophobicContact CG1-CE2 4.42Å; V76-F80 WeakPolarHBondContact O-CB 3.18Å; V76-F80 WeakPolarHBondContact O-CD2 3.44Å; V76-F80 PolarHBondContact O-N 3.31Å; F80-L82 HydrophobicContact CB-CD1 3.67Å; F80-L82 HydrophobicContact CB-CD2 4.4Å; F80-L82 HydrophobicContact CB-CG 3.61Å; F80-L82 HydrophobicContact CG-CD1 4.48Å; F80-L82 PolarHBondContact O-N 2.71Å |
| 81 | S | 79 | Confident | 84.1 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 74% | 0.741 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.7 | -177.7 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | S77 D78 | S77-S81 WeakPolarHBondContact O-CA 3.45Å; S77-S81 PolarHBondContact O-N 2.9Å; D78-S81 PolarHBondContact O-N 3.23Å |
| 82 | L | 76.8 | Confident | 83.6 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | trans | -85.6 | 137.7 | -177.9 | -62.4 | 172.4 | 0 | 0 | 0 | 109.5 | S77 F80 C84 V85 V114 | S77-L82 PolarHBondContact O-N 3.07Å; S77-L82 VanDerWaalsContact O-N 3.1Å; S77-L82 PolarHBondContact OG-O 3.43Å; F80-L82 HydrophobicContact CB-CD1 3.67Å; F80-L82 HydrophobicContact CB-CD2 4.4Å; F80-L82 HydrophobicContact CB-CG 3.61Å; F80-L82 HydrophobicContact CG-CD1 4.48Å; F80-L82 PolarHBondContact O-N 2.71Å; L82-C84 VanDerWaalsContact C-N 3.33Å; L82-V85 HydrophobicContact CD1-CG2 4.32Å; L82-V114 HydrophobicContact CD1-CG1 3.58Å; L82-V114 HydrophobicContact CD1-CG2 4.24Å | ||
| 83 | Q | 67.9 | Low | 82.8 | Confident | 192 Ų | 192 | 54.5 Ų | 54.5 | 90% | 0.897 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -72.9 | -28.5 | 176.3 | -71.3 | 179.8 | 8 | 0 | 0 | 112.1 | ||
| 84 | C | 70.8 | Confident | 82.4 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | trans | -158.8 | 123.9 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | L82 | L82-C84 VanDerWaalsContact C-N 3.33Š| ||
| 85 | V | 77.4 | Confident | 82.3 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -80.5 | 116.1 | 168.9 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | T73 V76 L82 V114 | T73-V85 HydrophobicContact CG2-CB 4.07Å; T73-V85 HydrophobicContact CG2-CG1 4.19Å; T73-V85 HydrophobicContact CG2-CG2 4.38Å; V76-V85 HydrophobicContact CG1-CG2 4.2Å; L82-V85 HydrophobicContact CD1-CG2 4.32Å; V85-V114 HydrophobicContact CB-CG2 4.25Å; V85-V114 HydrophobicContact CG1-CG2 3.47Å; V85-V114 VanDerWaalsContact CG1-CG2 3.47Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å | ||
| 86 | S | 79.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | trans | -87 | -40.6 | -178.3 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | L115 K117 | S86-L115 PolarHBondContact N-O 2.95Å; S86-K117 WeakPolarHBondContact OG-CA 3.33Å; S86-K117 PolarHBondContact OG-N 2.74Å | ||
| 87 | A | 84.1 | Confident | 82.1 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 148.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L115 | A87-L115 HydrophobicContact CB-CB 4.3Å; A87-L115 HydrophobicContact CB-CD1 4.22Å; A87-L115 PolarHBondContact N-O 2.83Å; A87-L115 WeakPolarHBondContact O-CB 3.31Å; A87-L115 PolarHBondContact O-N 2.91Å |
| 88 | L | 88.8 | Confident | 82.1 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.5 | 170.6 | -171 | 69.4 | 0 | 0 | 0 | 107.6 | L69 L72 V97 L112 V114 | L69-L88 HydrophobicContact CD1-CD2 3.77Å; L72-L88 HydrophobicContact CD2-CD2 3.61Å; L72-L88 HydrophobicContact CG-CD2 4.36Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 PolarHBondContact O-N 3.43Å; L88-L112 HydrophobicContact CD1-CB 3.99Å; L88-L112 HydrophobicContact CD2-CD1 4.1Å; L88-L112 HydrophobicContact CG-CB 4.32Å; L88-L112 HydrophobicContact CG-CD2 4.47Å; L88-V114 HydrophobicContact CD1-CB 4.44Å; L88-V114 HydrophobicContact CD1-CG2 4.33Å |
| 89 | V | 90.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 156.3 | -177 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | T95 L112 M113 L115 W121 | V89-T95 CarbonylContact C-O 3.32Å; V89-T95 VanDerWaalsContact CA-O 3.28Å; V89-T95 WeakPolarHBondContact CA-O 3.37Å; V89-L112 CarbonylContact O-C 3.51Å; V89-L112 WeakPolarHBondContact O-CA 3.05Å; V89-M113 HydrophobicContact CG2-CB 3.84Å; V89-M113 HydrophobicContact CG2-CG 4.27Å; V89-M113 HydrophobicContact CG2-SD 4.49Å; V89-M113 PolarHBondContact N-O 3.46Å; V89-M113 PolarHBondContact O-N 2.86Å; V89-L115 HydrophobicContact CG1-CD1 3.7Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-L115 HydrophobicContact CG2-CD1 4.08Å; V89-L115 HydrophobicContact CG2-CD2 4.29Å; V89-L115 HydrophobicContact CG2-CG 4.1Å; V89-W121 HydrophobicContact CG2-CB 4.22Å; V89-W121 HydrophobicContact CG2-CG 4.24Å |
| 90 | L | 88.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.8 | 167.8 | -72.5 | 174.4 | 0 | 0 | 0 | 109.7 | E92 D93 G94 T95 V97 F102 L106 T110 L112 W121 | L90-E92 PolarHBondContact O-N 3Å; L90-D93 WeakPolarHBondContact CB-OD1 3.21Å; L90-G94 WeakPolarHBondContact O-CA 3.12Å; L90-G94 PolarHBondContact O-N 2.8Å; L90-T95 PolarHBondContact N-O 3.14Å; L90-V97 HydrophobicContact CG-CG2 4.31Å; L90-F102 HydrophobicContact CD1-CE1 4.09Å; L90-F102 HydrophobicContact CD1-CZ 3.99Å; L90-L106 HydrophobicContact CD1-CD2 4.27Å; L90-L106 HydrophobicContact CD2-CD1 4.28Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; L90-T110 HydrophobicContact CD2-CG2 3.34Å; L90-L112 HydrophobicContact CD2-CD2 3.61Å; L90-L112 HydrophobicContact CG-CD2 4.36Å; L90-W121 PolarHBondContact O-NE1 3.26Å |
| 91 | D | 84.8 | Confident | 82.6 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.2 | 177.9 | 179.5 | 46.6 | 0 | 0 | 0 | 112 | R58 V111 M113 W121 R130 | R58-D91 IonicContact CZ-OD1 2.78Å; R58-D91 VanDerWaalsContact CZ-OD1 3.29Å; R58-D91 IonicContact NE-OD1 2.71Å; R58-D91 PolarHBondContact NE-OD1 2.64Å; R58-D91 IonicContact NH2-OD1 3.44Å; R58-D91 PolarHBondContact NH2-OD1 2.81Å; D91-V111 HydrophobicContact CB-CB 4.13Å; D91-V111 HydrophobicContact CB-CG1 3.71Å; D91-V111 PolarHBondContact N-O 3.16Å; D91-V111 VanDerWaalsContact N-O 3.11Å; D91-M113 WeakPolarHBondContact OD1-CE 3.11Å; D91-W121 PolarHBondContact O-NE1 2.97Å; D91-R130 IonicContact OD2-NH2 2.77Å; D91-R130 PolarHBondContact OD2-NH2 2.81Å |
| 92 | E | 78.9 | Confident | 83 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -50.7 | -172.2 | -57.7 | -56.2 | 124.6 | 0 | 0 | 114.3 | L90 R130 | L90-E92 PolarHBondContact O-N 3Å; E92-R130 VanDerWaalsContact CD-CD 3.48Å; E92-R130 VanDerWaalsContact CD-NE 3.28Å; E92-R130 WeakPolarHBondContact OE1-CD 3.35Å; E92-R130 IonicContact OE1-CZ 3.29Å; E92-R130 IonicContact OE1-NE 3.46Å; E92-R130 PolarHBondContact OE1-NE 3.25Å; E92-R130 IonicContact OE1-NH2 2.98Å; E92-R130 PolarHBondContact OE1-NH2 2.98Å; E92-R130 WeakPolarHBondContact OE2-CB 3.4Å; E92-R130 WeakPolarHBondContact OE2-CD 3.38Å; E92-R130 WeakPolarHBondContact OE2-CG 3.42Å; E92-R130 IonicContact OE2-NE 3.33Å; E92-R130 PolarHBondContact OE2-NE 2.83Å; E92-R130 VanDerWaalsContact OE2-NE 3.16Å |
| 93 | D | 74.6 | Confident | 83.5 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | -5.6 | -167.7 | 60.6 | -8.2 | 0 | 0 | 0 | 112.4 | L90 T95 W121 | L90-D93 WeakPolarHBondContact CB-OD1 3.21Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 WeakPolarHBondContact OD1-CB 3.26Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 2.92Å; D93-T95 PolarHBondContact OD2-OG1 2.8Å; D93-W121 VanDerWaalsContact C-CZ2 3.49Å |
| 94 | G | 81.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | trans | 73.4 | 13.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L90 G96 W121 | L90-G94 WeakPolarHBondContact O-CA 3.12Å; L90-G94 PolarHBondContact O-N 2.8Å; G94-G96 PolarHBondContact O-N 3.28Å; G94-W121 VanDerWaalsContact CA-CD2 3.49Å; G94-W121 VanDerWaalsContact CA-CE2 3.44Å | ||
| 95 | T | 86.3 | Confident | 85.1 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | trans | -65.4 | 126.7 | 178.6 | -64.1 | 0 | 0 | 0 | 0 | 110 | V89 L90 D93 F102 | V89-T95 CarbonylContact C-O 3.32Å; V89-T95 VanDerWaalsContact CA-O 3.28Å; V89-T95 WeakPolarHBondContact CA-O 3.37Å; L90-T95 PolarHBondContact N-O 3.14Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 WeakPolarHBondContact OD1-CB 3.26Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 2.92Å; D93-T95 PolarHBondContact OD2-OG1 2.8Å; T95-F102 HydrophobicContact CG2-CE1 4.06Å; T95-F102 HydrophobicContact CG2-CZ 3.82Å | ||
| 96 | G | 86.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 126.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G94 E98 | G94-G96 PolarHBondContact O-N 3.28Å; G96-E98 PolarHBondContact O-N 2.8Å |
| 97 | V | 88.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -91.4 | 82.7 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L69 L88 L90 F102 F103 L106 L112 | L69-V97 HydrophobicContact CD1-CG1 3.75Å; L69-V97 HydrophobicContact CD2-CG1 4.37Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 PolarHBondContact O-N 3.43Å; L90-V97 HydrophobicContact CG-CG2 4.31Å; V97-F102 HydrophobicContact CB-CD1 4.3Å; V97-F102 HydrophobicContact CG1-CD1 4.13Å; V97-F102 HydrophobicContact CG2-CD1 4.03Å; V97-F102 HydrophobicContact CG2-CE1 3.91Å; V97-F103 HydrophobicContact CG1-CB 3.95Å; V97-F103 HydrophobicContact CG1-CD2 4.3Å; V97-L106 HydrophobicContact CG1-CD1 4.43Å; V97-L106 HydrophobicContact CG2-CD1 4.2Å; V97-L112 HydrophobicContact CG2-CD2 3.71Å | ||
| 98 | E | 86.6 | Confident | 85.7 | Confident | 168 Ų | 168 | 58.7 Ų | 58.7 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | trans | -99.6 | -28 | -178.8 | -63.9 | -178.2 | -178.3 | 0 | 0 | 112.9 | G96 | G96-E98 PolarHBondContact O-N 2.8Š| ||
| 99 | T | 88.3 | Confident | 85.4 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | trans | -105.2 | 137.4 | -174.8 | -44.5 | 0 | 0 | 0 | 0 | 111.4 | E101 F102 F103 | T99-E101 HydrophobicContact CG2-CB 4.04Å; T99-E101 HydrophobicContact CG2-CG 4.22Å; T99-E101 PolarHBondContact O-N 2.64Å; T99-F102 PolarHBondContact O-N 2.76Å; T99-F102 VanDerWaalsContact O-N 3.16Å; T99-F103 PolarHBondContact O-N 2.94Å; T99-F103 VanDerWaalsContact O-N 3.07Å | ||
| 100 | E | 88.5 | Confident | 85.3 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.9 | -38.6 | 174.2 | -177.2 | 62.6 | -144.1 | 0 | 0 | 111.9 | T68 L69 F102 F103 Q104 | T68-E100 WeakPolarHBondContact CA-OE1 3.29Å; L69-E100 WeakPolarHBondContact CB-OE2 3.16Å; L69-E100 PolarHBondContact N-OE2 2.72Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.91Å; E100-F103 WeakPolarHBondContact O-CB 3.22Å; E100-F103 PolarHBondContact O-N 2.8Å; E100-Q104 HydrophobicContact CG-CG 4.47Å; E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.86Å; E100-Q104 PolarHBondContact OE1-NE2 2.81Å |
| 101 | E | 87.3 | Confident | 85.3 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.9 | -44.5 | 177.6 | -61 | -178.9 | -171.4 | 0 | 0 | 111.8 | T99 Q104 T105 | T99-E101 HydrophobicContact CG2-CB 4.04Å; T99-E101 HydrophobicContact CG2-CG 4.22Å; T99-E101 PolarHBondContact O-N 2.64Å; E101-Q104 PolarHBondContact O-N 3.35Å; E101-T105 WeakPolarHBondContact O-CG2 3.33Å; E101-T105 PolarHBondContact O-N 3.23Å |
| 102 | F | 87.3 | Confident | 85.5 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 176.2 | -173.3 | -108.8 | 0 | 0 | 0 | 110.4 | L90 T95 V97 T99 E100 Q104 T105 L106 | L90-F102 HydrophobicContact CD1-CE1 4.09Å; L90-F102 HydrophobicContact CD1-CZ 3.99Å; T95-F102 HydrophobicContact CG2-CE1 4.06Å; T95-F102 HydrophobicContact CG2-CZ 3.82Å; V97-F102 HydrophobicContact CB-CD1 4.3Å; V97-F102 HydrophobicContact CG1-CD1 4.13Å; V97-F102 HydrophobicContact CG2-CD1 4.03Å; V97-F102 HydrophobicContact CG2-CE1 3.91Å; T99-F102 PolarHBondContact O-N 2.76Å; T99-F102 VanDerWaalsContact O-N 3.16Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.91Å; F102-Q104 VanDerWaalsContact C-N 3.29Å; F102-Q104 PolarHBondContact O-N 3.25Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 VanDerWaalsContact O-N 3.1Å; F102-T105 PolarHBondContact O-OG1 3.42Å; F102-L106 HydrophobicContact CE1-CD2 4.07Å; F102-L106 HydrophobicContact CZ-CD2 4.23Å; F102-L106 PolarHBondContact O-N 3.19Å |
| 103 | F | 87.6 | Confident | 86 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 175.8 | 175.7 | -107.1 | 0 | 0 | 0 | 112.8 | F51 A66 T68 L69 L72 V97 T99 E100 T105 L106 | F51-F103 HydrophobicContact CD1-CE2 4.2Å; F51-F103 HydrophobicContact CD2-CE2 4.03Å; F51-F103 AromaticContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CE1-CD2 4.44Å; F51-F103 AromaticContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CZ 4.16Å; F51-F103 HydrophobicContact CE2-CE1 4.17Å; F51-F103 AromaticContact CE2-CE2 3.52Å; F51-F103 HydrophobicContact CE2-CE2 3.52Å; F51-F103 AromaticContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CG-CE2 4.34Å; F51-F103 HydrophobicContact CZ-CD2 4.25Å; F51-F103 HydrophobicContact CZ-CE1 4.14Å; F51-F103 AromaticContact CZ-CE2 3.32Å; F51-F103 HydrophobicContact CZ-CE2 3.32Å; F51-F103 AromaticContact CZ-CZ 3.3Å; F51-F103 HydrophobicContact CZ-CZ 3.3Å; A66-F103 HydrophobicContact CB-CZ 4.29Å; T68-F103 VanDerWaalsContact C-CE1 3.42Å; L69-F103 HydrophobicContact CB-CB 4.21Å; L69-F103 HydrophobicContact CB-CD1 4.2Å; L69-F103 HydrophobicContact CB-CG 4.1Å; L69-F103 HydrophobicContact CD1-CB 4.45Å; L69-F103 HydrophobicContact CD1-CD2 4.2Å; L69-F103 HydrophobicContact CD1-CG 4.35Å; L72-F103 HydrophobicContact CB-CZ 4.37Å; L72-F103 HydrophobicContact CD2-CD2 4.29Å; L72-F103 HydrophobicContact CD2-CE2 3.52Å; L72-F103 HydrophobicContact CD2-CZ 4.14Å; V97-F103 HydrophobicContact CG1-CB 3.95Å; V97-F103 HydrophobicContact CG1-CD2 4.3Å; T99-F103 PolarHBondContact O-N 2.94Å; T99-F103 VanDerWaalsContact O-N 3.07Å; E100-F103 WeakPolarHBondContact O-CB 3.22Å; E100-F103 PolarHBondContact O-N 2.8Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3.3Å; F103-L106 HydrophobicContact CD2-CD1 4.3Å; F103-L106 WeakPolarHBondContact O-CB 3.49Å; F103-L106 PolarHBondContact O-N 3.42Å |
| 104 | Q | 86.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.1 | -28.3 | 179.1 | -70 | -60.6 | -20.8 | 0 | 0 | 113.7 | K49 E67 E100 E101 F102 L106 | K49-Q104 PolarHBondContact NZ-O 3.03Å; E67-Q104 PolarHBondContact O-NE2 3.39Å; E100-Q104 HydrophobicContact CG-CG 4.47Å; E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.86Å; E100-Q104 PolarHBondContact OE1-NE2 2.81Å; E101-Q104 PolarHBondContact O-N 3.35Å; F102-Q104 VanDerWaalsContact C-N 3.29Å; F102-Q104 PolarHBondContact O-N 3.25Å; Q104-L106 VanDerWaalsContact C-N 3.29Å |
| 105 | T | 86.7 | Confident | 87 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 64% | 0.644 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -75.3 | -16.4 | 175 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | E101 F102 F103 | E101-T105 WeakPolarHBondContact O-CG2 3.33Å; E101-T105 PolarHBondContact O-N 3.23Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 VanDerWaalsContact O-N 3.1Å; F102-T105 PolarHBondContact O-OG1 3.42Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3.3Å |
| 106 | L | 86.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -66.4 | 139.2 | -179.5 | -63.5 | 177.2 | 0 | 0 | 0 | 111.4 | L90 V97 F102 F103 Q104 T110 L112 | L90-L106 HydrophobicContact CD1-CD2 4.27Å; L90-L106 HydrophobicContact CD2-CD1 4.28Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; V97-L106 HydrophobicContact CG1-CD1 4.43Å; V97-L106 HydrophobicContact CG2-CD1 4.2Å; F102-L106 HydrophobicContact CE1-CD2 4.07Å; F102-L106 HydrophobicContact CZ-CD2 4.23Å; F102-L106 PolarHBondContact O-N 3.19Å; F103-L106 HydrophobicContact CD2-CD1 4.3Å; F103-L106 WeakPolarHBondContact O-CB 3.49Å; F103-L106 PolarHBondContact O-N 3.42Å; Q104-L106 VanDerWaalsContact C-N 3.29Å; L106-T110 HydrophobicContact CD1-CG2 4.34Å; L106-T110 HydrophobicContact CD2-CG2 4.46Å; L106-L112 HydrophobicContact CD1-CD2 4.19Å |
| 107 | P | 83.7 | Confident | 86.4 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 57% | 0.571 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 157.6 | 176.1 | 26.4 | -31 | 0 | 0 | 0 | 111.5 | T110 | P107-T110 VanDerWaalsContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CG-OG1 3.34Å; P107-T110 WeakPolarHBondContact O-CB 3.42Å; P107-T110 PolarHBondContact O-N 3.48Å; P107-T110 PolarHBondContact O-OG1 2.89Å |
| 108 | E | 82.8 | Confident | 85.5 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 143.7 | 173.4 | -63.4 | 178.9 | -172 | 0 | 0 | 110.8 | P50 T110 | P50-E108 HydrophobicContact CG-CB 4.43Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.24Å |
| 109 | N | 82.5 | Confident | 85.1 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 19.4 | -178 | -52.9 | -74.2 | 0 | 0 | 0 | 115.7 | P50 | P50-N109 WeakPolarHBondContact O-CA 3.47Å; P50-N109 PolarHBondContact O-N 3.02Å |
| 110 | T | 87.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | trans | -54.9 | 138.8 | 170.9 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | R52 L90 L106 P107 E108 L112 | R52-T110 PolarHBondContact N-O 2.79Å; L90-T110 HydrophobicContact CD2-CG2 3.34Å; L106-T110 HydrophobicContact CD1-CG2 4.34Å; L106-T110 HydrophobicContact CD2-CG2 4.46Å; P107-T110 VanDerWaalsContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CG-OG1 3.34Å; P107-T110 WeakPolarHBondContact O-CB 3.42Å; P107-T110 PolarHBondContact O-N 3.48Å; P107-T110 PolarHBondContact O-OG1 2.89Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.24Å; T110-L112 HydrophobicContact CG2-CD2 4.35Å; T110-L112 HydrophobicContact CG2-CG 4.42Å | ||
| 111 | V | 87.7 | Confident | 84.4 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.6 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | R52 T54 D91 | R52-V111 HydrophobicContact CB-CG2 4.24Å; R52-V111 CarbonylContact O-C 3.49Å; R52-V111 VanDerWaalsContact O-CA 3.26Å; R52-V111 WeakPolarHBondContact O-CA 3.41Å; T54-V111 HydrophobicContact CG2-CG1 4.21Å; D91-V111 HydrophobicContact CB-CB 4.13Å; D91-V111 HydrophobicContact CB-CG1 3.71Å; D91-V111 PolarHBondContact N-O 3.16Å; D91-V111 VanDerWaalsContact N-O 3.11Å |
| 112 | L | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.8 | 178.8 | -62.8 | 165.5 | 0 | 0 | 0 | 108.9 | F51 R52 V53 T54 L72 L88 V89 L90 V97 L106 T110 | F51-L112 HydrophobicContact CB-CD1 4.29Å; F51-L112 HydrophobicContact CD1-CD1 4.06Å; F51-L112 HydrophobicContact CG-CD1 4.34Å; R52-L112 PolarHBondContact O-N 3.32Å; V53-L112 CarbonylContact C-O 3.54Å; V53-L112 VanDerWaalsContact CA-O 3.22Å; V53-L112 WeakPolarHBondContact CA-O 3.31Å; V53-L112 HydrophobicContact CG2-CB 4.37Å; T54-L112 PolarHBondContact N-O 3.39Å; T54-L112 PolarHBondContact OG1-O 3.01Å; L72-L112 HydrophobicContact CD2-CD1 3.57Å; L88-L112 HydrophobicContact CD1-CB 3.99Å; L88-L112 HydrophobicContact CD2-CD1 4.1Å; L88-L112 HydrophobicContact CG-CB 4.32Å; L88-L112 HydrophobicContact CG-CD2 4.47Å; V89-L112 CarbonylContact O-C 3.51Å; V89-L112 WeakPolarHBondContact O-CA 3.05Å; L90-L112 HydrophobicContact CD2-CD2 3.61Å; L90-L112 HydrophobicContact CG-CD2 4.36Å; V97-L112 HydrophobicContact CG2-CD2 3.71Å; L106-L112 HydrophobicContact CD1-CD2 4.19Å; T110-L112 HydrophobicContact CG2-CD2 4.35Å; T110-L112 HydrophobicContact CG2-CG 4.42Å |
| 113 | M | 89.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | 174.1 | 176.8 | 179.6 | -69.2 | 0 | 0 | 108.6 | T54 R58 V89 D91 L115 | T54-M113 WeakPolarHBondContact O-CA 3.32Å; R58-M113 HydrophobicContact CG-CE 3.77Å; R58-M113 VanDerWaalsContact CZ-CE 3.44Å; V89-M113 HydrophobicContact CG2-CB 3.84Å; V89-M113 HydrophobicContact CG2-CG 4.27Å; V89-M113 HydrophobicContact CG2-SD 4.49Å; V89-M113 PolarHBondContact N-O 3.46Å; V89-M113 PolarHBondContact O-N 2.86Å; D91-M113 WeakPolarHBondContact OD1-CE 3.11Å; M113-L115 HydrophobicContact CG-CD2 4.06Å; M113-L115 HydrophobicContact SD-CD2 4Å |
| 114 | V | 90.2 | Very high | 81.6 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.6 | 174.2 | 89 | 0 | 0 | 0 | 0 | 109.7 | V53 T54 V56 V76 L82 V85 L88 | V53-V114 HydrophobicContact CG1-CB 4.21Å; T54-V114 PolarHBondContact O-N 3.13Å; V56-V114 VanDerWaalsContact CG2-O 3.32Å; V56-V114 WeakPolarHBondContact CG2-O 3.37Å; V76-V114 HydrophobicContact CG1-CB 3.9Å; V76-V114 HydrophobicContact CG1-CG1 4.28Å; V76-V114 HydrophobicContact CG1-CG2 3.42Å; V76-V114 VanDerWaalsContact CG1-CG2 3.42Å; L82-V114 HydrophobicContact CD1-CG1 3.58Å; L82-V114 HydrophobicContact CD1-CG2 4.24Å; V85-V114 HydrophobicContact CB-CG2 4.25Å; V85-V114 HydrophobicContact CG1-CG2 3.47Å; V85-V114 VanDerWaalsContact CG1-CG2 3.47Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å; L88-V114 HydrophobicContact CD1-CB 4.44Å; L88-V114 HydrophobicContact CD1-CG2 4.33Å |
| 115 | L | 87.2 | Confident | 80 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 176.6 | -54.8 | -176.2 | 0 | 0 | 0 | 109.9 | V56 S86 A87 V89 M113 W121 | V56-L115 HydrophobicContact CG2-CD2 3.56Å; S86-L115 PolarHBondContact N-O 2.95Å; A87-L115 HydrophobicContact CB-CB 4.3Å; A87-L115 HydrophobicContact CB-CD1 4.22Å; A87-L115 PolarHBondContact N-O 2.83Å; A87-L115 WeakPolarHBondContact O-CB 3.31Å; A87-L115 PolarHBondContact O-N 2.91Å; V89-L115 HydrophobicContact CG1-CD1 3.7Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-L115 HydrophobicContact CG2-CD1 4.08Å; V89-L115 HydrophobicContact CG2-CD2 4.29Å; V89-L115 HydrophobicContact CG2-CG 4.1Å; M113-L115 HydrophobicContact CG-CD2 4.06Å; M113-L115 HydrophobicContact SD-CD2 4Å; L115-W121 HydrophobicContact CD1-CB 4.34Å |
| 116 | E | 83.9 | Confident | 78.2 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | trans | -86.1 | 174.1 | 169.5 | -152.6 | -179.8 | -176.5 | 0 | 0 | 111.4 | E118 Q119 | E116-E118 PolarHBondContact O-N 2.87Å; E116-Q119 VanDerWaalsContact CB-CD 3.45Å; E116-Q119 HydrophobicContact CB-CG 4.26Å; E116-Q119 VanDerWaalsContact N-OE1 3.1Å; E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E116-Q119 PolarHBondContact O-N 3.25Å; E116-Q119 VanDerWaalsContact O-N 3.08Å; E116-Q119 PolarHBondContact OE2-NE2 3.1Å | ||
| 117 | K | 75.3 | Confident | 76.2 | Confident | 151 Ų | 151 | 77.3 Ų | 77.3 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.4 | 176.9 | -166.5 | -176 | 174.9 | -173.1 | 0 | 109.5 | S86 Q119 | S86-K117 WeakPolarHBondContact OG-CA 3.33Å; S86-K117 PolarHBondContact OG-N 2.74Å; K117-Q119 VanDerWaalsContact C-N 3.26Å; K117-Q119 PolarHBondContact O-N 2.62Å |
| 118 | E | 70.8 | Confident | 74.3 | Confident | 179 Ų | 179 | 78.1 Ų | 78.1 | 84% | 0.836 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 2 | -178.9 | -60.9 | 166.8 | -163.9 | 0 | 0 | 116.4 | E116 | E116-E118 PolarHBondContact O-N 2.87Š|
| 119 | Q | 78.4 | Confident | 72.3 | Confident | 70 Ų | 70 | 74 Ų | 74 | 33% | 0.327 | 39% | 0.386 | S | S | . | . | trans | -87.8 | 137 | 173.9 | -65.1 | 170.9 | 6.6 | 0 | 0 | 111 | V56 E116 K117 | V56-Q119 HydrophobicContact CG2-CB 4.21Å; E116-Q119 VanDerWaalsContact CB-CD 3.45Å; E116-Q119 HydrophobicContact CB-CG 4.26Å; E116-Q119 VanDerWaalsContact N-OE1 3.1Å; E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E116-Q119 PolarHBondContact O-N 3.25Å; E116-Q119 VanDerWaalsContact O-N 3.08Å; E116-Q119 PolarHBondContact OE2-NE2 3.1Å; K117-Q119 VanDerWaalsContact C-N 3.26Å; K117-Q119 PolarHBondContact O-N 2.62Å | ||
| 120 | K | 78.8 | Confident | 70.6 | Confident | 186 Ų | 186 | 75.1 Ų | 75.1 | 81% | 0.809 | 38% | 0.384 | S | S | * | . | trans | -110.1 | 143.7 | 174.2 | -68.8 | -176.1 | 179.4 | 179.8 | 0 | 109.8 | S122 | K120-S122 PolarHBondContact O-N 3.41Š| ||
| 121 | W | 81.5 | Confident | 68.5 | Low | 67 Ų | 67 | 78.8 Ų | 78.8 | 25% | 0.254 | 40% | 0.403 | S | S | . | . | trans | -57 | 133 | 170.2 | 175.3 | 85.5 | 0 | 0 | 0 | 110.1 | V89 L90 D91 D93 G94 L115 L123 | V89-W121 HydrophobicContact CG2-CB 4.22Å; V89-W121 HydrophobicContact CG2-CG 4.24Å; L90-W121 PolarHBondContact O-NE1 3.26Å; D91-W121 PolarHBondContact O-NE1 2.97Å; D93-W121 VanDerWaalsContact C-CZ2 3.49Å; G94-W121 VanDerWaalsContact CA-CD2 3.49Å; G94-W121 VanDerWaalsContact CA-CE2 3.44Å; L115-W121 HydrophobicContact CD1-CB 4.34Å; W121-L123 HydrophobicContact CH2-CD1 4.21Å; W121-L123 HydrophobicContact CH2-CD2 3.26Å; W121-L123 HydrophobicContact CH2-CG 3.38Å; W121-L123 HydrophobicContact CZ2-CD2 3.69Å; W121-L123 HydrophobicContact CZ2-CG 4.04Å; W121-L123 HydrophobicContact CZ3-CD1 4.31Å; W121-L123 HydrophobicContact CZ3-CD2 4.12Å; W121-L123 HydrophobicContact CZ3-CG 3.7Å | ||
| 122 | S | 75.3 | Confident | 66.3 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | trans | -122.2 | 133.7 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | R58 K120 H124 | R58-S122 PolarHBondContact NH1-O 3.42Å; R58-S122 PolarHBondContact NH2-O 3.35Å; K120-S122 PolarHBondContact O-N 3.41Å; S122-H124 PolarHBondContact O-N 2.8Å | ||
| 123 | L | 66.3 | Low | 63.8 | Low | 118 Ų | 118 | 86.6 Ų | 86.6 | 62% | 0.618 | 45% | 0.445 | S | S | * | . | trans | -61.9 | 129.7 | 168.1 | -78.8 | 162.6 | 0 | 0 | 0 | 108.8 | W121 P125 | W121-L123 HydrophobicContact CH2-CD1 4.21Å; W121-L123 HydrophobicContact CH2-CD2 3.26Å; W121-L123 HydrophobicContact CH2-CG 3.38Å; W121-L123 HydrophobicContact CZ2-CD2 3.69Å; W121-L123 HydrophobicContact CZ2-CG 4.04Å; W121-L123 HydrophobicContact CZ3-CD1 4.31Å; W121-L123 HydrophobicContact CZ3-CD2 4.12Å; W121-L123 HydrophobicContact CZ3-CG 3.7Å; L123-P125 WeakPolarHBondContact O-CD 3.49Å | ||
| 124 | H | 62 | Low | 61.7 | Low | 74 Ų | 74 | 93.5 Ų | 93.5 | 34% | 0.343 | 48% | 0.48 | S | S | . | . | trans | -65.4 | 123.8 | -179.3 | -173.9 | 38.4 | 0 | 0 | 0 | 110.5 | S122 N126 C127 | S122-H124 PolarHBondContact O-N 2.8Å; H124-N126 VanDerWaalsContact CD2-C 3.42Å; H124-N126 PolarHBondContact O-N 3.12Å; H124-C127 HydrophobicContact CB-CB 3.88Å; H124-C127 PolarHBondContact CD2-N 2.83Å; H124-C127 PolarHBondContact CD2-SG 2.8Å; H124-C127 PolarHBondContact O-N 2.8Å | ||
| 125 | P | 54 | Low | 59.1 | Low | 120 Ų | 120 | 98.5 Ų | 98.5 | 78% | 0.779 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -18.6 | 179 | 22.2 | -31.7 | 0 | 0 | 0 | 113.8 | L123 | L123-P125 WeakPolarHBondContact O-CD 3.49Š|
| 126 | N | 49.2 | Very low | 56.9 | Low | 136 Ų | 136 | 102 Ų | 102 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 12.4 | 179.2 | -78.5 | -24.3 | 0 | 0 | 0 | 114 | H124 P128 | H124-N126 VanDerWaalsContact CD2-C 3.42Å; H124-N126 PolarHBondContact O-N 3.12Å; N126-P128 VanDerWaalsContact O-CD 3.26Å; N126-P128 WeakPolarHBondContact O-CD 3.5Å |
| 127 | C | 43.6 | Very low | 55 | Low | 48 Ų | 48 | 106.1 Ų | 106.1 | 32% | 0.324 | 55% | 0.551 | S | S | . | * | trans | -83.9 | 118.8 | 162.8 | -97.2 | 0 | 0 | 0 | 0 | 107.2 | H124 S129 | H124-C127 HydrophobicContact CB-CB 3.88Å; H124-C127 PolarHBondContact CD2-N 2.83Å; H124-C127 PolarHBondContact CD2-SG 2.8Å; H124-C127 PolarHBondContact O-N 2.8Å; C127-S129 PolarHBondContact O-N 2.81Å | ||
| 128 | P | 43.3 | Very low | 53.5 | Low | 104 Ų | 104 | 106.9 Ų | 106.9 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | trans | -60.3 | 96.2 | 145.9 | 27 | -27.4 | 0 | 0 | 0 | 104.7 | N126 R130 | N126-P128 VanDerWaalsContact O-CD 3.26Å; N126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-R130 PolarHBondContact O-N 2.8Å | ||
| 129 | S | 41.6 | Very low | 52 | Low | 46 Ų | 46 | 104.7 Ų | 104.7 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | trans | -11.8 | 115.5 | -179 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | C127 L131 Q132 | C127-S129 PolarHBondContact O-N 2.81Å; S129-L131 PolarHBondContact O-N 2.73Å; S129-Q132 WeakPolarHBondContact O-CA 3.45Å; S129-Q132 WeakPolarHBondContact O-CB 3.38Å; S129-Q132 PolarHBondContact O-N 2.77Å; S129-Q132 VanDerWaalsContact OG-CG 3.31Å; S129-Q132 WeakPolarHBondContact OG-CG 3.37Å; S129-Q132 PolarHBondContact OG-NE2 2.95Å | ||
| 130 | R | 45.6 | Very low | 50.5 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 38% | 0.377 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.6 | 172.4 | -159 | -176.4 | -12.4 | -128.8 | 12.7 | 112.1 | D91 E92 P128 Q132 T133 | D91-R130 IonicContact OD2-NH2 2.77Å; D91-R130 PolarHBondContact OD2-NH2 2.81Å; E92-R130 VanDerWaalsContact CD-CD 3.48Å; E92-R130 VanDerWaalsContact CD-NE 3.28Å; E92-R130 WeakPolarHBondContact OE1-CD 3.35Å; E92-R130 IonicContact OE1-CZ 3.29Å; E92-R130 IonicContact OE1-NE 3.46Å; E92-R130 PolarHBondContact OE1-NE 3.25Å; E92-R130 IonicContact OE1-NH2 2.98Å; E92-R130 PolarHBondContact OE1-NH2 2.98Å; E92-R130 WeakPolarHBondContact OE2-CB 3.4Å; E92-R130 WeakPolarHBondContact OE2-CD 3.38Å; E92-R130 WeakPolarHBondContact OE2-CG 3.42Å; E92-R130 IonicContact OE2-NE 3.33Å; E92-R130 PolarHBondContact OE2-NE 2.83Å; E92-R130 VanDerWaalsContact OE2-NE 3.16Å; P128-R130 PolarHBondContact O-N 2.8Å; R130-Q132 PolarHBondContact O-N 2.86Å; R130-T133 WeakPolarHBondContact CG-OG1 3.43Å; R130-T133 WeakPolarHBondContact O-CB 3.43Å; R130-T133 PolarHBondContact O-N 3.05Å; R130-T133 PolarHBondContact O-OG1 3.18Å |
| 131 | L | 43.7 | Very low | 49.1 | Very low | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -54.7 | -25.7 | 153.5 | -71 | 167.8 | 0 | 0 | 0 | 113.2 | S129 T133 E135 | S129-L131 PolarHBondContact O-N 2.73Å; L131-T133 PolarHBondContact O-N 2.81Å; L131-E135 WeakPolarHBondContact O-CG 3.15Å; L131-E135 PolarHBondContact O-N 2.75Å |
| 132 | Q | 42.6 | Very low | 47.6 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.1 | -14.7 | 169.1 | -73.3 | 170.6 | 33.9 | 0 | 0 | 112.7 | S129 R130 C136 | S129-Q132 WeakPolarHBondContact O-CA 3.45Å; S129-Q132 WeakPolarHBondContact O-CB 3.38Å; S129-Q132 PolarHBondContact O-N 2.77Å; S129-Q132 VanDerWaalsContact OG-CG 3.31Å; S129-Q132 WeakPolarHBondContact OG-CG 3.37Å; S129-Q132 PolarHBondContact OG-NE2 2.95Å; R130-Q132 PolarHBondContact O-N 2.86Å; Q132-C136 VanDerWaalsContact O-CA 3.3Å; Q132-C136 WeakPolarHBondContact O-CA 3.34Å; Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.05Å |
| 133 | T | 38.2 | Very low | 46.6 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.7 | -31.5 | 179.9 | -46.5 | 0 | 0 | 0 | 0 | 111.4 | R130 L131 | R130-T133 WeakPolarHBondContact CG-OG1 3.43Å; R130-T133 WeakPolarHBondContact O-CB 3.43Å; R130-T133 PolarHBondContact O-N 3.05Å; R130-T133 PolarHBondContact O-OG1 3.18Å; L131-T133 PolarHBondContact O-N 2.81Å |
| 134 | I | 44.1 | Very low | 46.7 | Very low | 145 Ų | 145 | 111.6 Ų | 111.6 | 74% | 0.744 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.4 | -35.8 | 172.4 | -56.1 | -178.8 | 0 | 0 | 0 | 110.3 | ||
| 135 | E | 36.7 | Very low | 47.2 | Very low | 106 Ų | 106 | 110.2 Ų | 110.2 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.8 | -17.8 | 175.8 | -66.6 | -176.3 | 173.5 | 0 | 0 | 114.9 | L131 L137 Q138 K139 | L131-E135 WeakPolarHBondContact O-CG 3.15Å; L131-E135 PolarHBondContact O-N 2.75Å; E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.88Å; E135-Q138 CarbonylContact O-C 3.44Å; E135-Q138 VanDerWaalsContact O-C 3.32Å; E135-Q138 PolarHBondContact O-N 3.01Å; E135-K139 PolarHBondContact O-N 2.94Å |
| 136 | C | 39.6 | Very low | 48.4 | Very low | 84 Ų | 84 | 110.2 Ų | 110.2 | 57% | 0.568 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -24.1 | 178.7 | -179 | 0 | 0 | 0 | 0 | 111.8 | Q132 Q138 | Q132-C136 VanDerWaalsContact O-CA 3.3Å; Q132-C136 WeakPolarHBondContact O-CA 3.34Å; Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.05Å; C136-Q138 PolarHBondContact O-N 3.39Å |
| 137 | L | 43.7 | Very low | 50.2 | Low | 159 Ų | 159 | 109.1 Ų | 109.1 | 83% | 0.832 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12 | 167.7 | -93.8 | 161.5 | 0 | 0 | 0 | 113 | E135 | E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.88Å |
| 138 | Q | 44 | Very low | 52.2 | Low | 167 Ų | 167 | 108.6 Ų | 108.6 | 78% | 0.78 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -137.6 | 20.8 | -174.3 | -66.4 | -165.2 | -7.3 | 0 | 0 | 115.6 | E135 C136 P140 | E135-Q138 CarbonylContact O-C 3.44Å; E135-Q138 VanDerWaalsContact O-C 3.32Å; E135-Q138 PolarHBondContact O-N 3.01Å; C136-Q138 PolarHBondContact O-N 3.39Å; Q138-P140 WeakPolarHBondContact O-CD 3.45Å |
| 139 | K | 40.1 | Very low | 54.2 | Low | 133 Ų | 133 | 108.8 Ų | 108.8 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | trans | -86 | 110.1 | 158.2 | -93.5 | 173.5 | 178.1 | 159.3 | 0 | 107.8 | E135 R141 | E135-K139 PolarHBondContact O-N 2.94Å; K139-R141 PolarHBondContact O-N 3.27Å | ||
| 140 | P | 46.9 | Very low | 56.3 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 80% | 0.799 | 57% | 0.572 | S | S | * | * | trans | -64.6 | 92.8 | 155.9 | 29.3 | -27 | 0 | 0 | 0 | 104 | Q138 T142 | Q138-P140 WeakPolarHBondContact O-CD 3.45Å; P140-T142 PolarHBondContact O-N 2.76Å | ||
| 141 | R | 49.3 | Very low | 58 | Low | 207 Ų | 207 | 111.8 Ų | 111.8 | 78% | 0.781 | 59% | 0.586 | S | S | * | * | trans | -45.9 | 136 | 153.9 | -77.2 | -172.5 | 163.5 | 129.2 | -0.8 | 104.7 | K139 D143 | K139-R141 PolarHBondContact O-N 3.27Å; R141-D143 PolarHBondContact O-N 3.15Å | ||
| 142 | T | 49.4 | Very low | 59.7 | Low | 143 Ų | 143 | 111.2 Ų | 111.2 | 88% | 0.877 | 58% | 0.577 | S | S | * | * | trans | -58 | 69.8 | 169 | 36.7 | 0 | 0 | 0 | 0 | 108.5 | P140 V144 | P140-T142 PolarHBondContact O-N 2.76Å; T142-V144 PolarHBondContact O-N 2.64Å | ||
| 143 | D | 55.7 | Low | 61.5 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 47% | 0.465 | 58% | 0.581 | S | S | . | * | trans | -90.4 | 97.8 | 179.5 | -160.6 | 8.4 | 0 | 0 | 0 | 103.4 | R141 A145 | R141-D143 PolarHBondContact O-N 3.15Å; D143-A145 PolarHBondContact O-N 2.9Å; D143-A145 VanDerWaalsContact O-N 3.14Å | ||
| 144 | V | 66.4 | Low | 63.2 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -57.5 | -26.5 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | T142 F169 Y170 | T142-V144 PolarHBondContact O-N 2.64Å; V144-F169 WeakPolarHBondContact O-CA 3.14Å; V144-Y170 HydrophobicContact CG1-CD1 4.4Å; V144-Y170 HydrophobicContact CG1-CE1 3.78Å; V144-Y170 HydrophobicContact CG1-CE2 4.38Å; V144-Y170 PolarHBondContact O-N 3.08Å |
| 145 | A | 73.8 | Confident | 64.3 | Low | 45 Ų | 45 | 108.9 Ų | 108.9 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -152.5 | 110.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D143 T168 F169 | D143-A145 PolarHBondContact O-N 2.9Å; D143-A145 VanDerWaalsContact O-N 3.14Å; A145-T168 CarbonylContact C-O 3.51Å; A145-T168 WeakPolarHBondContact CA-O 3.46Å; A145-F169 HydrophobicContact CB-CD1 3.44Å; A145-F169 VanDerWaalsContact CB-CD1 3.44Å; A145-F169 HydrophobicContact CB-CE1 3.47Å; A145-F169 VanDerWaalsContact CB-CE1 3.47Å; A145-F169 HydrophobicContact CB-CG 4.42Å; A145-F169 HydrophobicContact CB-CZ 4.46Å |
| 146 | K | 79.1 | Confident | 65.7 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 110.2 | 171.4 | 174.6 | 178.3 | -178.7 | 175.8 | 0 | 110.5 | A167 T168 | K146-A167 CarbonylContact O-C 3.59Å; K146-T168 PolarHBondContact N-O 3.48Å; K146-T168 PolarHBondContact O-N 3.44Å |
| 147 | L | 86.1 | Confident | 66.9 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.9 | 173.1 | -173.9 | 67.3 | 0 | 0 | 0 | 110.4 | V165 K166 A167 | L147-V165 HydrophobicContact CD1-CG1 3.93Å; L147-K166 CarbonylContact C-O 3.54Å; L147-K166 WeakPolarHBondContact CA-O 3.22Å; L147-A167 HydrophobicContact CD1-CB 3.8Å |
| 148 | T | 86.2 | Confident | 67.9 | Low | 38 Ų | 38 | 109 Ų | 109 | 23% | 0.233 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130 | 136.5 | -179.8 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | D150 V165 K166 | T148-D150 WeakPolarHBondContact CG2-OD1 3.5Å; T148-V165 CarbonylContact O-C 3.58Å; T148-V165 WeakPolarHBondContact O-CA 3.21Å; T148-K166 PolarHBondContact N-O 3.39Å; T148-K166 PolarHBondContact O-N 2.97Å |
| 149 | L | 86 | Confident | 68.8 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 99.5 | -175.9 | -61.9 | 174.7 | 0 | 0 | 0 | 108.3 | L163 N164 V165 | L149-L163 HydrophobicContact CB-CD1 4.43Å; L149-N164 CarbonylContact C-O 3.53Å; L149-N164 WeakPolarHBondContact CA-O 3.27Å; L149-V165 HydrophobicContact CD2-CB 4.04Å; L149-V165 HydrophobicContact CD2-CG1 3.72Å; L149-V165 HydrophobicContact CD2-CG2 3.6Å |
| 150 | D | 84.7 | Confident | 69.9 | Low | 83 Ų | 83 | 105.6 Ų | 105.6 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.1 | -176.6 | -59.1 | -34.2 | 0 | 0 | 0 | 109.7 | T148 N164 | T148-D150 WeakPolarHBondContact CG2-OD1 3.5Å; D150-N164 HydrophobicContact CB-CB 4.22Å; D150-N164 PolarHBondContact N-O 2.93Å; D150-N164 PolarHBondContact O-N 3.37Å |
| 151 | L | 82.6 | Confident | 71.2 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.2 | 173.5 | -174.1 | 71.3 | 0 | 0 | 0 | 109.3 | L163 | L151-L163 HydrophobicContact CB-CD1 4.15Å; L151-L163 HydrophobicContact CD1-CB 4.05Å; L151-L163 HydrophobicContact CD1-CD1 4.27Å |
| 152 | Y | 79.4 | Confident | 72.6 | Confident | 84 Ų | 84 | 90.4 Ų | 90.4 | 33% | 0.329 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.6 | -178.6 | 69.8 | -80.5 | 0 | 0 | 0 | 111 | N154 G161 C162 N164 D178 | Y152-N154 WeakPolarHBondContact CD2-OD1 3.43Å; Y152-N154 WeakPolarHBondContact CE2-OD1 3.34Å; Y152-G161 CarbonylContact O-C 3.52Å; Y152-G161 WeakPolarHBondContact O-CA 3.35Å; Y152-C162 HydrophobicContact CD1-CB 4.26Å; Y152-C162 VanDerWaalsContact CD1-O 3.27Å; Y152-C162 WeakPolarHBondContact CD1-O 3.33Å; Y152-C162 HydrophobicContact CE1-CB 3.59Å; Y152-C162 HydrophobicContact CE2-CB 3.92Å; Y152-C162 PolarHBondContact N-O 3.07Å; Y152-C162 PolarHBondContact O-N 3.08Å; Y152-C162 VanDerWaalsContact O-O 3.09Å; Y152-C162 WeakPolarHBondContact OH-CB 3.02Å; Y152-N164 HydrophobicContact CD1-CB 4.47Å; Y152-N164 HydrophobicContact CE1-CB 4.08Å; Y152-D178 WeakPolarHBondContact CE1-OD1 3.21Å; Y152-D178 PolarHBondContact OH-OD1 3.14Å; Y152-D178 PolarHBondContact OH-OD2 3.18Å |
| 153 | K | 80.5 | Confident | 74.2 | Confident | 114 Ų | 114 | 86 Ų | 86 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | trans | -120.8 | 111.1 | -171.3 | -176.6 | 162.6 | 169.7 | 172.7 | 0 | 110.3 | N155 P156 D158 | K153-N155 WeakPolarHBondContact CE-O 3.13Å; K153-N155 WeakPolarHBondContact CG-O 3.36Å; K153-P156 VanDerWaalsContact CE-C 3.43Å; K153-P156 WeakPolarHBondContact CE-O 3.46Å; K153-P156 PolarHBondContact NZ-O 2.96Å; K153-D158 WeakPolarHBondContact CE-O 3.14Å; K153-D158 PolarHBondContact NZ-O 2.9Å | ||
| 154 | N | 73.3 | Confident | 75.6 | Confident | 83 Ų | 83 | 83.7 Ų | 83.7 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -72.8 | -32.4 | -177.4 | -58.7 | 55 | 0 | 0 | 0 | 112.5 | Y152 C162 | Y152-N154 WeakPolarHBondContact CD2-OD1 3.43Å; Y152-N154 WeakPolarHBondContact CE2-OD1 3.34Å; N154-C162 PolarHBondContact OD1-SG 2.85Å |
| 155 | N | 66.3 | Low | 76.6 | Confident | 81 Ų | 81 | 81.5 Ų | 81.5 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | trans | -132.2 | 139.5 | 174.6 | -59.8 | -80.1 | 0 | 0 | 0 | 111.8 | K153 K157 D158 | K153-N155 WeakPolarHBondContact CE-O 3.13Å; K153-N155 WeakPolarHBondContact CG-O 3.36Å; N155-K157 PolarHBondContact O-N 3.14Å; N155-K157 VanDerWaalsContact O-N 3.07Å; N155-D158 WeakPolarHBondContact CB-OD2 3.49Å; N155-D158 PolarHBondContact ND2-OD2 2.72Å; N155-D158 VanDerWaalsContact ND2-OD2 3.14Å; N155-D158 PolarHBondContact O-N 3.17Å; N155-D158 VanDerWaalsContact O-N 3.08Å | ||
| 156 | P | 66.4 | Low | 77.4 | Confident | 119 Ų | 119 | 83.4 Ų | 83.4 | 77% | 0.773 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.6 | 177.1 | 22.7 | -32.5 | 0 | 0 | 0 | 113.4 | K153 | K153-P156 VanDerWaalsContact CE-C 3.43Å; K153-P156 WeakPolarHBondContact CE-O 3.46Å; K153-P156 PolarHBondContact NZ-O 2.96Å |
| 157 | K | 65.8 | Low | 77.9 | Confident | 195 Ų | 195 | 78.7 Ų | 78.7 | 85% | 0.848 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.5 | 179.7 | -64.6 | -179.4 | -179.4 | 177.1 | 0 | 114.6 | N155 | N155-K157 PolarHBondContact O-N 3.14Å; N155-K157 VanDerWaalsContact O-N 3.07Å |
| 158 | D | 65.1 | Low | 77.8 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | trans | -79.7 | 128 | -178.7 | -66.9 | -26.3 | 0 | 0 | 0 | 110.7 | K153 N155 I160 | K153-D158 WeakPolarHBondContact CE-O 3.14Å; K153-D158 PolarHBondContact NZ-O 2.9Å; N155-D158 WeakPolarHBondContact CB-OD2 3.49Å; N155-D158 PolarHBondContact ND2-OD2 2.72Å; N155-D158 VanDerWaalsContact ND2-OD2 3.14Å; N155-D158 PolarHBondContact O-N 3.17Å; N155-D158 VanDerWaalsContact O-N 3.08Å; D158-I160 VanDerWaalsContact C-N 3.35Å | ||
| 159 | F | 61.1 | Low | 77.7 | Confident | 176 Ų | 176 | 76.9 Ų | 76.9 | 77% | 0.772 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -75.4 | -27.5 | -176.1 | -147.8 | -93.8 | 0 | 0 | 0 | 112.2 | K185 | F159-K185 HydrophobicContact CB-CD 4.09Š|
| 160 | I | 63.9 | Low | 77.4 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -130.8 | 124 | 175.6 | -58.5 | 171.2 | 0 | 0 | 0 | 106.2 | D158 C181 A184 K185 L188 | D158-I160 VanDerWaalsContact C-N 3.35Å; I160-C181 HydrophobicContact CB-CB 4.3Å; I160-C181 HydrophobicContact CG2-CB 3.44Å; I160-C181 VanDerWaalsContact CG2-CB 3.44Å; I160-A184 HydrophobicContact CD1-CB 4.27Å; I160-K185 HydrophobicContact CD1-CB 4.43Å; I160-L188 HydrophobicContact CD1-CD2 4.39Å |
| 161 | G | 74.9 | Confident | 76.8 | Confident | 9 Ų | 9 | 79 Ų | 79 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | trans | -76.5 | -170.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y152 C181 | Y152-G161 CarbonylContact O-C 3.52Å; Y152-G161 WeakPolarHBondContact O-CA 3.35Å; G161-C181 WeakPolarHBondContact O-CB 3.14Å | ||
| 162 | C | 78.4 | Confident | 76.5 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.02 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 140.8 | 171.3 | -60.2 | 0 | 0 | 0 | 0 | 110 | Y152 N154 L179 | Y152-C162 HydrophobicContact CD1-CB 4.26Å; Y152-C162 VanDerWaalsContact CD1-O 3.27Å; Y152-C162 WeakPolarHBondContact CD1-O 3.33Å; Y152-C162 HydrophobicContact CE1-CB 3.59Å; Y152-C162 HydrophobicContact CE2-CB 3.92Å; Y152-C162 PolarHBondContact N-O 3.07Å; Y152-C162 PolarHBondContact O-N 3.08Å; Y152-C162 VanDerWaalsContact O-O 3.09Å; Y152-C162 WeakPolarHBondContact OH-CB 3.02Å; N154-C162 PolarHBondContact OD1-SG 2.85Å; C162-L179 WeakPolarHBondContact CA-O 3.33Å |
| 163 | L | 82.7 | Confident | 76.5 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.4 | 176.8 | 176.4 | 68.2 | 0 | 0 | 0 | 109 | L149 L151 V165 L179 | L149-L163 HydrophobicContact CB-CD1 4.43Å; L151-L163 HydrophobicContact CB-CD1 4.15Å; L151-L163 HydrophobicContact CD1-CB 4.05Å; L151-L163 HydrophobicContact CD1-CD1 4.27Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.13Å; L163-L179 HydrophobicContact CB-CB 4.27Å; L163-L179 PolarHBondContact N-O 3Å; L163-L179 PolarHBondContact O-N 3.33Å |
| 164 | N | 85.7 | Confident | 76.6 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.4 | 170.8 | -167.4 | -75.9 | 0 | 0 | 0 | 109.7 | L149 D150 Y152 | L149-N164 CarbonylContact C-O 3.53Å; L149-N164 WeakPolarHBondContact CA-O 3.27Å; D150-N164 HydrophobicContact CB-CB 4.22Å; D150-N164 PolarHBondContact N-O 2.93Å; D150-N164 PolarHBondContact O-N 3.37Å; Y152-N164 HydrophobicContact CD1-CB 4.47Å; Y152-N164 HydrophobicContact CE1-CB 4.08Å |
| 165 | V | 86.3 | Confident | 77.4 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 111.1 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | L147 T148 L149 L163 S176 Y177 L179 | L147-V165 HydrophobicContact CD1-CG1 3.93Å; T148-V165 CarbonylContact O-C 3.58Å; T148-V165 WeakPolarHBondContact O-CA 3.21Å; L149-V165 HydrophobicContact CD2-CB 4.04Å; L149-V165 HydrophobicContact CD2-CG1 3.72Å; L149-V165 HydrophobicContact CD2-CG2 3.6Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.13Å; V165-S176 CarbonylContact O-C 3.57Å; V165-S176 WeakPolarHBondContact O-CA 3.37Å; V165-Y177 PolarHBondContact N-O 3.43Å; V165-Y177 PolarHBondContact O-N 3.5Å; V165-L179 HydrophobicContact CB-CD1 4.34Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å |
| 166 | K | 90.3 | Very high | 78.4 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 37% | 0.37 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111.5 | 179.9 | -176.7 | 176.3 | -178.6 | 176.7 | 0 | 110.4 | L147 T148 V175 | L147-K166 CarbonylContact C-O 3.54Å; L147-K166 WeakPolarHBondContact CA-O 3.22Å; T148-K166 PolarHBondContact N-O 3.39Å; T148-K166 PolarHBondContact O-N 2.97Å; K166-V175 CarbonylContact C-O 3.53Å; K166-V175 WeakPolarHBondContact CA-O 3.19Å |
| 167 | A | 89.3 | Confident | 79.3 | Confident | 19 Ų | 19 | 81 Ų | 81 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K146 L147 F169 T174 V175 | K146-A167 CarbonylContact O-C 3.59Å; L147-A167 HydrophobicContact CD1-CB 3.8Å; A167-F169 HydrophobicContact CB-CD2 4.49Å; A167-F169 HydrophobicContact CB-CE2 3.79Å; A167-F169 HydrophobicContact CB-CZ 4.34Å; A167-T174 CarbonylContact O-C 3.53Å; A167-T174 WeakPolarHBondContact O-CA 3.28Å; A167-V175 PolarHBondContact N-O 2.9Å; A167-V175 PolarHBondContact O-N 2.84Å |
| 168 | T | 85.9 | Confident | 80.2 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 105.3 | -178.1 | -48.7 | 0 | 0 | 0 | 0 | 108.9 | A145 K146 Y173 T174 | A145-T168 CarbonylContact C-O 3.51Å; A145-T168 WeakPolarHBondContact CA-O 3.46Å; K146-T168 PolarHBondContact N-O 3.48Å; K146-T168 PolarHBondContact O-N 3.44Å; T168-Y173 CarbonylContact C-O 3.52Å; T168-Y173 WeakPolarHBondContact CA-O 3.39Å; T168-T174 HydrophobicContact CG2-CG2 3.47Å; T168-T174 VanDerWaalsContact CG2-CG2 3.47Å |
| 169 | F | 84.3 | Confident | 80.8 | Confident | 95 Ų | 95 | 75.9 Ų | 75.9 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.2 | 179.3 | -63.5 | -86.4 | 0 | 0 | 0 | 110.8 | V144 A145 A167 G171 A172 Y173 | V144-F169 WeakPolarHBondContact O-CA 3.14Å; A145-F169 HydrophobicContact CB-CD1 3.44Å; A145-F169 VanDerWaalsContact CB-CD1 3.44Å; A145-F169 HydrophobicContact CB-CE1 3.47Å; A145-F169 VanDerWaalsContact CB-CE1 3.47Å; A145-F169 HydrophobicContact CB-CG 4.42Å; A145-F169 HydrophobicContact CB-CZ 4.46Å; A167-F169 HydrophobicContact CB-CD2 4.49Å; A167-F169 HydrophobicContact CB-CE2 3.79Å; A167-F169 HydrophobicContact CB-CZ 4.34Å; F169-G171 PolarHBondContact O-N 3Å; F169-A172 PolarHBondContact O-N 2.81Å; F169-A172 VanDerWaalsContact O-N 3.16Å; F169-Y173 PolarHBondContact N-O 3.44Å; F169-Y173 PolarHBondContact O-N 3.31Å |
| 170 | Y | 79.1 | Confident | 81.5 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 67% | 0.671 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 24.1 | 177.7 | -60.2 | -81.8 | 0 | 0 | 0 | 114.6 | V144 A172 | V144-Y170 HydrophobicContact CG1-CD1 4.4Å; V144-Y170 HydrophobicContact CG1-CE1 3.78Å; V144-Y170 HydrophobicContact CG1-CE2 4.38Å; V144-Y170 PolarHBondContact O-N 3.08Å; Y170-A172 PolarHBondContact O-N 3.3Å |
| 171 | G | 71.6 | Confident | 81.6 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 68% | 0.68 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | F169 | F169-G171 PolarHBondContact O-N 3Š|
| 172 | A | 75.9 | Confident | 81.3 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 60% | 0.595 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -27.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F169 Y170 | F169-A172 PolarHBondContact O-N 2.81Å; F169-A172 VanDerWaalsContact O-N 3.16Å; Y170-A172 PolarHBondContact O-N 3.3Å |
| 173 | Y | 80.8 | Confident | 80.7 | Confident | 164 Ų | 164 | 83.3 Ų | 83.3 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 96.4 | -174.7 | -60.6 | -77.3 | 0 | 0 | 0 | 110.3 | T168 F169 | T168-Y173 CarbonylContact C-O 3.52Å; T168-Y173 WeakPolarHBondContact CA-O 3.39Å; F169-Y173 PolarHBondContact N-O 3.44Å; F169-Y173 PolarHBondContact O-N 3.31Å |
| 174 | T | 82.4 | Confident | 80.2 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.3 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | A167 T168 | A167-T174 CarbonylContact O-C 3.53Å; A167-T174 WeakPolarHBondContact O-CA 3.28Å; T168-T174 HydrophobicContact CG2-CG2 3.47Å; T168-T174 VanDerWaalsContact CG2-CG2 3.47Å |
| 175 | V | 88.6 | Confident | 79.6 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.6 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | K166 A167 | K166-V175 CarbonylContact C-O 3.53Å; K166-V175 WeakPolarHBondContact CA-O 3.19Å; A167-V175 PolarHBondContact N-O 2.9Å; A167-V175 PolarHBondContact O-N 2.84Å |
| 176 | S | 88 | Confident | 79.1 | Confident | 77 Ų | 77 | 90.6 Ų | 90.6 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.4 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | V165 | V165-S176 CarbonylContact O-C 3.57Å; V165-S176 WeakPolarHBondContact O-CA 3.37Å |
| 177 | Y | 85.9 | Confident | 78.6 | Confident | 156 Ų | 156 | 92.2 Ų | 92.2 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.7 | 177.4 | -172 | -106.8 | 0 | 0 | 0 | 110.4 | V165 L179 | V165-Y177 PolarHBondContact N-O 3.43Å; V165-Y177 PolarHBondContact O-N 3.5Å; Y177-L179 HydrophobicContact CD1-CD1 3.7Å; Y177-L179 HydrophobicContact CD1-CG 3.74Å; Y177-L179 HydrophobicContact CE1-CD1 4.16Å; Y177-L179 HydrophobicContact CE1-CD2 4.24Å; Y177-L179 HydrophobicContact CE1-CG 3.67Å |
| 178 | D | 83.8 | Confident | 78.2 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 102.7 | -178.4 | -170.7 | 34.7 | 0 | 0 | 0 | 110.2 | Y152 R180 | Y152-D178 WeakPolarHBondContact CE1-OD1 3.21Å; Y152-D178 PolarHBondContact OH-OD1 3.14Å; Y152-D178 PolarHBondContact OH-OD2 3.18Å; D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 VanDerWaalsContact O-N 3.12Å |
| 179 | L | 77.9 | Confident | 78.1 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 98.8 | 173.2 | -71 | 108.8 | 0 | 0 | 0 | 108.9 | C162 L163 V165 Y177 C181 | C162-L179 WeakPolarHBondContact CA-O 3.33Å; L163-L179 HydrophobicContact CB-CB 4.27Å; L163-L179 PolarHBondContact N-O 3Å; L163-L179 PolarHBondContact O-N 3.33Å; V165-L179 HydrophobicContact CB-CD1 4.34Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å; Y177-L179 HydrophobicContact CD1-CD1 3.7Å; Y177-L179 HydrophobicContact CD1-CG 3.74Å; Y177-L179 HydrophobicContact CE1-CD1 4.16Å; Y177-L179 HydrophobicContact CE1-CD2 4.24Å; Y177-L179 HydrophobicContact CE1-CG 3.67Å; L179-C181 PolarHBondContact O-N 3.05Å; L179-C181 PolarHBondContact O-SG 3.49Å; L179-C181 VanDerWaalsContact O-SG 3.39Å |
| 180 | R | 75.2 | Confident | 78.4 | Confident | 186 Ų | 186 | 101.2 Ų | 101.2 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 95.4 | 171.5 | -66.1 | -171.7 | -67.4 | -142.1 | -1.8 | 109.7 | D178 Y182 | D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 VanDerWaalsContact O-N 3.12Å; R180-Y182 HydrophobicContact CB-CD2 3.95Å; R180-Y182 HydrophobicContact CB-CE2 4.3Å; R180-Y182 PolarHBondContact O-N 3.47Å |
| 181 | C | 67.5 | Low | 79 | Confident | 24 Ų | 24 | 95.4 Ų | 95.4 | 16% | 0.162 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 18.7 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 114.9 | I160 G161 L179 A183 A184 | I160-C181 HydrophobicContact CB-CB 4.3Å; I160-C181 HydrophobicContact CG2-CB 3.44Å; I160-C181 VanDerWaalsContact CG2-CB 3.44Å; G161-C181 WeakPolarHBondContact O-CB 3.14Å; L179-C181 PolarHBondContact O-N 3.05Å; L179-C181 PolarHBondContact O-SG 3.49Å; L179-C181 VanDerWaalsContact O-SG 3.39Å; C181-A183 PolarHBondContact O-N 3.44Å; C181-A184 HydrophobicContact CB-CB 3.75Å; C181-A184 VanDerWaalsContact O-CB 3.28Å; C181-A184 WeakPolarHBondContact O-CB 3.47Å; C181-A184 PolarHBondContact O-N 2.9Å |
| 182 | Y | 67.9 | Low | 79.9 | Confident | 120 Ų | 120 | 97.6 Ų | 97.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.8 | 175.9 | -68.3 | -73.3 | 0 | 0 | 0 | 112.3 | R180 | R180-Y182 HydrophobicContact CB-CD2 3.95Å; R180-Y182 HydrophobicContact CB-CE2 4.3Å; R180-Y182 PolarHBondContact O-N 3.47Å |
| 183 | A | 64.9 | Low | 80.7 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C181 K185 K186 M187 | C181-A183 PolarHBondContact O-N 3.44Å; A183-K185 VanDerWaalsContact C-N 3.27Å; A183-K185 PolarHBondContact O-N 2.87Å; A183-K186 WeakPolarHBondContact O-CB 2.87Å; A183-K186 PolarHBondContact O-N 3.26Å; A183-K186 VanDerWaalsContact O-N 3.08Å; A183-M187 WeakPolarHBondContact O-CG 3.25Å; A183-M187 PolarHBondContact O-N 3.04Å |
| 184 | A | 72.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 104.5 Ų | 104.5 | 31% | 0.306 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I160 C181 K186 M187 L188 | I160-A184 HydrophobicContact CD1-CB 4.27Å; C181-A184 HydrophobicContact CB-CB 3.75Å; C181-A184 VanDerWaalsContact O-CB 3.28Å; C181-A184 WeakPolarHBondContact O-CB 3.47Å; C181-A184 PolarHBondContact O-N 2.9Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 3.48Å; A184-M187 PolarHBondContact O-N 3.45Å; A184-L188 WeakPolarHBondContact O-CB 2.87Å; A184-L188 PolarHBondContact O-N 3.38Å |
| 185 | K | 73.3 | Confident | 82.1 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 173.9 | -176.1 | -179 | -179.7 | -178.6 | 0 | 112 | F159 I160 A183 K189 | F159-K185 HydrophobicContact CB-CD 4.09Å; I160-K185 HydrophobicContact CD1-CB 4.43Å; A183-K185 VanDerWaalsContact C-N 3.27Å; A183-K185 PolarHBondContact O-N 2.87Å; K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.14Å; K185-K189 PolarHBondContact O-N 2.89Å |
| 186 | K | 76.1 | Confident | 82.3 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | 177.2 | -172 | -179.6 | 179 | -177.3 | 0 | 110.2 | A183 A184 L188 K189 E190 | A183-K186 WeakPolarHBondContact O-CB 2.87Å; A183-K186 PolarHBondContact O-N 3.26Å; A183-K186 VanDerWaalsContact O-N 3.08Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 3.48Å; K186-L188 PolarHBondContact O-N 2.83Å; K186-K189 PolarHBondContact O-N 3.26Å; K186-E190 WeakPolarHBondContact CE-OE1 3.21Å; K186-E190 WeakPolarHBondContact CG-OE1 3.31Å; K186-E190 WeakPolarHBondContact O-CB 3.35Å; K186-E190 PolarHBondContact O-N 3.01Å |
| 187 | M | 79.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 177.4 | -62.6 | -72.6 | 83.1 | 0 | 0 | 112.5 | A183 A184 E190 A191 | A183-M187 WeakPolarHBondContact O-CG 3.25Å; A183-M187 PolarHBondContact O-N 3.04Å; A184-M187 PolarHBondContact O-N 3.45Å; M187-E190 PolarHBondContact O-N 3.38Å; M187-A191 VanDerWaalsContact O-CB 3.25Å; M187-A191 WeakPolarHBondContact O-CB 3.37Å; M187-A191 PolarHBondContact O-N 3.3Å |
| 188 | L | 82.3 | Confident | 83.1 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 177.8 | -179 | 63.1 | 0 | 0 | 0 | 111.9 | I160 A184 K186 E190 A191 L192 | I160-L188 HydrophobicContact CD1-CD2 4.39Å; A184-L188 WeakPolarHBondContact O-CB 2.87Å; A184-L188 PolarHBondContact O-N 3.38Å; K186-L188 PolarHBondContact O-N 2.83Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 3.5Å; L188-A191 PolarHBondContact O-N 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.9Å |
| 189 | K | 83.9 | Confident | 83.7 | Confident | 152 Ų | 152 | 106.9 Ų | 106.9 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 177.6 | -176.6 | -177.8 | -178.5 | -175.5 | 0 | 111 | K185 K186 L192 R193 | K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.14Å; K185-K189 PolarHBondContact O-N 2.89Å; K186-K189 PolarHBondContact O-N 3.26Å; K189-L192 PolarHBondContact O-N 2.95Å; K189-R193 WeakPolarHBondContact O-CB 3.28Å; K189-R193 PolarHBondContact O-N 3.4Å |
| 190 | E | 90.2 | Very high | 84.4 | Confident | 63 Ų | 63 | 108.7 Ų | 108.7 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -42 | 179.8 | -88 | 70.3 | 146.2 | 0 | 0 | 110.6 | K186 M187 L188 L192 R193 W194 | K186-E190 WeakPolarHBondContact CE-OE1 3.21Å; K186-E190 WeakPolarHBondContact CG-OE1 3.31Å; K186-E190 WeakPolarHBondContact O-CB 3.35Å; K186-E190 PolarHBondContact O-N 3.01Å; M187-E190 PolarHBondContact O-N 3.38Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 3.5Å; E190-L192 PolarHBondContact O-N 2.93Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.95Å; E190-W194 PolarHBondContact O-N 3.47Å |
| 191 | A | 91.2 | Very high | 85.4 | Confident | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M187 L188 R193 W194 T195 | M187-A191 VanDerWaalsContact O-CB 3.25Å; M187-A191 WeakPolarHBondContact O-CB 3.37Å; M187-A191 PolarHBondContact O-N 3.3Å; L188-A191 PolarHBondContact O-N 3.29Å; A191-R193 VanDerWaalsContact C-N 3.25Å; A191-R193 PolarHBondContact O-N 2.84Å; A191-W194 PolarHBondContact O-N 2.88Å; A191-W194 VanDerWaalsContact O-N 3.14Å; A191-T195 PolarHBondContact O-N 3.39Å; A191-T195 PolarHBondContact O-OG1 3.44Å; A191-T195 VanDerWaalsContact O-OG1 3.05Å |
| 192 | L | 90.1 | Very high | 86.8 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -38.3 | 176.8 | -160.5 | 77.9 | 0 | 0 | 0 | 111.4 | L188 K189 E190 T195 I196 | L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.9Å; K189-L192 PolarHBondContact O-N 2.95Å; E190-L192 PolarHBondContact O-N 2.93Å; L192-T195 PolarHBondContact O-N 3.17Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.23Å |
| 193 | R | 93.8 | Very high | 88.1 | Confident | 198 Ų | 198 | 99.8 Ų | 99.8 | 75% | 0.747 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 175.7 | -164.6 | 177.3 | -165.4 | -132.8 | 1 | 111.8 | K189 E190 A191 I196 F197 | K189-R193 WeakPolarHBondContact O-CB 3.28Å; K189-R193 PolarHBondContact O-N 3.4Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.95Å; A191-R193 VanDerWaalsContact C-N 3.25Å; A191-R193 PolarHBondContact O-N 2.84Å; R193-I196 PolarHBondContact O-N 3.35Å; R193-F197 PolarHBondContact O-N 2.88Å |
| 194 | W | 95.3 | Very high | 89.5 | Confident | 182 Ų | 182 | 102.8 Ų | 102.8 | 69% | 0.689 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 175 | -75.3 | 113.8 | 0 | 0 | 0 | 112.1 | E190 A191 I196 F197 S198 | E190-W194 PolarHBondContact O-N 3.47Å; A191-W194 PolarHBondContact O-N 2.88Å; A191-W194 VanDerWaalsContact O-N 3.14Å; W194-I196 PolarHBondContact O-N 3.34Å; W194-F197 PolarHBondContact O-N 3.14Å; W194-S198 PolarHBondContact O-N 3.26Å; W194-S198 PolarHBondContact O-OG 3.02Å |
| 195 | T | 95.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | A191 L192 F197 S198 M199 | A191-T195 PolarHBondContact O-N 3.39Å; A191-T195 PolarHBondContact O-OG1 3.44Å; A191-T195 VanDerWaalsContact O-OG1 3.05Å; L192-T195 PolarHBondContact O-N 3.17Å; T195-F197 VanDerWaalsContact C-N 3.35Å; T195-S198 WeakPolarHBondContact CA-OG 3.31Å; T195-S198 PolarHBondContact O-N 2.95Å; T195-S198 PolarHBondContact O-OG 3.29Å; T195-M199 VanDerWaalsContact O-CB 3.28Å; T195-M199 WeakPolarHBondContact O-CB 3.39Å; T195-M199 PolarHBondContact O-N 3.14Å |
| 196 | I | 94.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 106.5 Ų | 106.5 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.6 | -68.3 | 165.3 | 0 | 0 | 0 | 110.1 | L192 R193 W194 M199 Q200 | L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.23Å; R193-I196 PolarHBondContact O-N 3.35Å; W194-I196 PolarHBondContact O-N 3.34Å; I196-M199 PolarHBondContact O-N 3.28Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 PolarHBondContact O-N 3.46Å |
| 197 | F | 94.2 | Very high | 92.6 | Very high | 131 Ų | 131 | 106.2 Ų | 106.2 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 179.1 | -171 | -97.1 | 0 | 0 | 0 | 112.2 | R193 W194 T195 M199 Q200 A201 | R193-F197 PolarHBondContact O-N 2.88Å; W194-F197 PolarHBondContact O-N 3.14Å; T195-F197 VanDerWaalsContact C-N 3.35Å; F197-M199 VanDerWaalsContact C-N 3.35Å; F197-M199 PolarHBondContact O-N 2.89Å; F197-Q200 PolarHBondContact O-N 3.49Å; F197-A201 WeakPolarHBondContact O-CB 3.3Å; F197-A201 PolarHBondContact O-N 3.41Å |
| 198 | S | 95.9 | Very high | 93.2 | Very high | 60 Ų | 60 | 102.7 Ų | 102.7 | 42% | 0.42 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | W194 T195 Q200 A201 T202 | W194-S198 PolarHBondContact O-N 3.26Å; W194-S198 PolarHBondContact O-OG 3.02Å; T195-S198 WeakPolarHBondContact CA-OG 3.31Å; T195-S198 PolarHBondContact O-N 2.95Å; T195-S198 PolarHBondContact O-OG 3.29Å; S198-Q200 VanDerWaalsContact C-N 3.33Å; S198-Q200 PolarHBondContact O-N 3.12Å; S198-A201 PolarHBondContact O-N 2.85Å; S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 2.97Å; S198-T202 PolarHBondContact O-OG1 2.76Å |
| 199 | M | 95.4 | Very high | 93.7 | Very high | 142 Ų | 142 | 100 Ų | 100 | 70% | 0.7 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 179.5 | -155.7 | 173.4 | 88.4 | 0 | 0 | 111.2 | T195 I196 F197 G203 | T195-M199 VanDerWaalsContact O-CB 3.28Å; T195-M199 WeakPolarHBondContact O-CB 3.39Å; T195-M199 PolarHBondContact O-N 3.14Å; I196-M199 PolarHBondContact O-N 3.28Å; F197-M199 VanDerWaalsContact C-N 3.35Å; F197-M199 PolarHBondContact O-N 2.89Å; M199-G203 PolarHBondContact O-N 2.83Å |
| 200 | Q | 93.2 | Very high | 94.2 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 174.6 | -171.7 | 172.7 | 1 | 0 | 0 | 111.8 | I196 F197 S198 G203 H204 | I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 PolarHBondContact O-N 3.46Å; F197-Q200 PolarHBondContact O-N 3.49Å; S198-Q200 VanDerWaalsContact C-N 3.33Å; S198-Q200 PolarHBondContact O-N 3.12Å; Q200-G203 PolarHBondContact O-N 2.93Å; Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.36Å |
| 201 | A | 96.1 | Very high | 93.9 | Very high | 39 Ų | 39 | 95.4 Ų | 95.4 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F197 S198 G203 H204 I205 | F197-A201 WeakPolarHBondContact O-CB 3.3Å; F197-A201 PolarHBondContact O-N 3.41Å; S198-A201 PolarHBondContact O-N 2.85Å; A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.36Å; A201-H204 PolarHBondContact O-N 2.77Å; A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.35Å |
| 202 | T | 96.8 | Very high | 94 | Very high | 77 Ų | 77 | 99.8 Ų | 99.8 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | S198 I205 L206 | S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 2.97Å; S198-T202 PolarHBondContact O-OG1 2.76Å; T202-I205 PolarHBondContact O-N 3.33Å; T202-L206 HydrophobicContact CG2-CD1 3.87Å; T202-L206 HydrophobicContact CG2-CG 4.28Å; T202-L206 WeakPolarHBondContact O-CB 3.26Å; T202-L206 VanDerWaalsContact O-CG 3.26Å; T202-L206 WeakPolarHBondContact O-CG 3.27Å; T202-L206 PolarHBondContact O-N 3.02Å |
| 203 | G | 95.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 98.8 Ų | 98.8 | 28% | 0.278 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M199 Q200 A201 L206 L207 | M199-G203 PolarHBondContact O-N 2.83Å; Q200-G203 PolarHBondContact O-N 2.93Å; A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.36Å; G203-L206 PolarHBondContact O-N 3.37Å; G203-L207 WeakPolarHBondContact O-CB 3.34Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.45Å |
| 204 | H | 93.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 95.3 Ų | 95.3 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 176.3 | -79.8 | -67.7 | 0 | 0 | 0 | 112.8 | Q200 A201 G208 | Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.36Å; A201-H204 PolarHBondContact O-N 2.77Å; H204-G208 PolarHBondContact O-N 3.05Å |
| 205 | I | 96.1 | Very high | 93.5 | Very high | 118 Ų | 118 | 92 Ų | 92 | 61% | 0.605 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 176.3 | -67.5 | 164.8 | 0 | 0 | 0 | 110.3 | A201 T202 G208 S209 | A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.35Å; T202-I205 PolarHBondContact O-N 3.33Å; I205-G208 PolarHBondContact O-N 3.09Å; I205-S209 VanDerWaalsContact O-CB 3.27Å; I205-S209 WeakPolarHBondContact O-CB 3.39Å; I205-S209 PolarHBondContact O-N 3.29Å; I205-S209 PolarHBondContact O-OG 3.45Å; I205-S209 VanDerWaalsContact O-OG 3.12Å |
| 206 | L | 95.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 91.8 Ų | 91.8 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -48.7 | 179.7 | -72.9 | 173.1 | 0 | 0 | 0 | 111.6 | T202 G203 G208 S209 S210 | T202-L206 HydrophobicContact CG2-CD1 3.87Å; T202-L206 HydrophobicContact CG2-CG 4.28Å; T202-L206 WeakPolarHBondContact O-CB 3.26Å; T202-L206 VanDerWaalsContact O-CG 3.26Å; T202-L206 WeakPolarHBondContact O-CG 3.27Å; T202-L206 PolarHBondContact O-N 3.02Å; G203-L206 PolarHBondContact O-N 3.37Å; L206-G208 PolarHBondContact O-N 2.95Å; L206-S209 WeakPolarHBondContact CA-OG 3.26Å; L206-S209 PolarHBondContact O-N 3.44Å; L206-S209 PolarHBondContact O-OG 3.45Å; L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å |
| 207 | L | 94.8 | Very high | 93 | Very high | 125 Ų | 125 | 91.6 Ų | 91.6 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 178.1 | -70.7 | 172 | 0 | 0 | 0 | 112.1 | G203 S210 C211 | G203-L207 WeakPolarHBondContact O-CB 3.34Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.45Å; L207-S210 PolarHBondContact O-N 2.99Å; L207-C211 WeakPolarHBondContact O-CB 3.42Å; L207-C211 PolarHBondContact O-N 3.49Å |
| 208 | G | 92.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 89.7 Ų | 89.7 | 46% | 0.464 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H204 I205 L206 C211 Y212 | H204-G208 PolarHBondContact O-N 3.05Å; I205-G208 PolarHBondContact O-N 3.09Å; L206-G208 PolarHBondContact O-N 2.95Å; G208-C211 PolarHBondContact O-N 3.37Å; G208-Y212 WeakPolarHBondContact O-CB 3.48Å; G208-Y212 PolarHBondContact O-N 3.43Å |
| 209 | S | 93.6 | Very high | 92 | Very high | 49 Ų | 49 | 92.9 Ų | 92.9 | 34% | 0.343 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 176 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | I205 L206 Y212 I213 | I205-S209 VanDerWaalsContact O-CB 3.27Å; I205-S209 WeakPolarHBondContact O-CB 3.39Å; I205-S209 PolarHBondContact O-N 3.29Å; I205-S209 PolarHBondContact O-OG 3.45Å; I205-S209 VanDerWaalsContact O-OG 3.12Å; L206-S209 WeakPolarHBondContact CA-OG 3.26Å; L206-S209 PolarHBondContact O-N 3.44Å; L206-S209 PolarHBondContact O-OG 3.45Å; S209-Y212 PolarHBondContact O-N 3.01Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.46Å; S209-I213 PolarHBondContact O-N 3.1Å |
| 210 | S | 93.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 92.4 Ų | 92.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 177 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | L206 L207 Y212 I213 E214 | L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å; L207-S210 PolarHBondContact O-N 2.99Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.33Å; S210-I213 PolarHBondContact O-N 2.93Å; S210-E214 WeakPolarHBondContact O-CG 3.43Å; S210-E214 PolarHBondContact O-N 2.95Å |
| 211 | C | 85.3 | Confident | 90.8 | Very high | 62 Ų | 62 | 91.7 Ų | 91.7 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | L207 G208 E214 Q215 | L207-C211 WeakPolarHBondContact O-CB 3.42Å; L207-C211 PolarHBondContact O-N 3.49Å; G208-C211 PolarHBondContact O-N 3.37Å; C211-E214 PolarHBondContact O-N 3.26Å; C211-Q215 WeakPolarHBondContact O-CG 3.41Å; C211-Q215 PolarHBondContact O-N 3.12Å; C211-Q215 VanDerWaalsContact O-N 3.1Å |
| 212 | Y | 92.7 | Very high | 89.9 | Confident | 141 Ų | 141 | 96 Ų | 96 | 55% | 0.553 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -44.4 | 175.2 | 179.4 | -109.7 | 0 | 0 | 0 | 112.2 | G208 S209 S210 Q215 L216 | G208-Y212 WeakPolarHBondContact O-CB 3.48Å; G208-Y212 PolarHBondContact O-N 3.43Å; S209-Y212 PolarHBondContact O-N 3.01Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.33Å; Y212-Q215 PolarHBondContact O-N 2.94Å; Y212-L216 HydrophobicContact CD1-CD1 4.03Å; Y212-L216 HydrophobicContact CE1-CD1 3.46Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.46Å; Y212-L216 HydrophobicContact CE1-CG 4.27Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 HydrophobicContact CE2-CG 4.48Å; Y212-L216 PolarHBondContact O-N 3.42Å; Y212-L216 VanDerWaalsContact O-N 3.12Å |
| 213 | I | 91.8 | Very high | 88.9 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 178.1 | -66.6 | 164.9 | 0 | 0 | 0 | 110.9 | S209 S210 Q215 L216 L217 | S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.46Å; S209-I213 PolarHBondContact O-N 3.1Å; S210-I213 PolarHBondContact O-N 2.93Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 3.4Å; I213-L216 PolarHBondContact O-N 3.4Å; I213-L217 HydrophobicContact CG2-CD1 3.89Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 3.41Å |
| 214 | E | 88.6 | Confident | 88 | Confident | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 174.5 | -77.8 | 176.9 | 174.7 | 0 | 0 | 112.3 | S210 C211 L217 E218 | S210-E214 WeakPolarHBondContact O-CG 3.43Å; S210-E214 PolarHBondContact O-N 2.95Å; C211-E214 PolarHBondContact O-N 3.26Å; E214-L217 PolarHBondContact O-N 3.3Å; E214-E218 WeakPolarHBondContact O-CB 3.33Å; E214-E218 PolarHBondContact O-N 2.95Å |
| 215 | Q | 88.3 | Confident | 87.1 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.4 | -73.9 | 176 | -7.1 | 0 | 0 | 112.1 | C211 Y212 I213 E218 E219 | C211-Q215 WeakPolarHBondContact O-CG 3.41Å; C211-Q215 PolarHBondContact O-N 3.12Å; C211-Q215 VanDerWaalsContact O-N 3.1Å; Y212-Q215 PolarHBondContact O-N 2.94Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 3.4Å; Q215-E218 PolarHBondContact O-N 3.37Å; Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.01Å |
| 216 | L | 90.3 | Very high | 85.9 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 177 | -72.9 | 177.7 | 0 | 0 | 0 | 111.9 | Y212 I213 E219 E220 | Y212-L216 HydrophobicContact CD1-CD1 4.03Å; Y212-L216 HydrophobicContact CE1-CD1 3.46Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.46Å; Y212-L216 HydrophobicContact CE1-CG 4.27Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 HydrophobicContact CE2-CG 4.48Å; Y212-L216 PolarHBondContact O-N 3.42Å; Y212-L216 VanDerWaalsContact O-N 3.12Å; I213-L216 PolarHBondContact O-N 3.4Å; L216-E219 PolarHBondContact O-N 3.44Å; L216-E220 PolarHBondContact O-N 3.32Å |
| 217 | L | 88.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 177.9 | -70.6 | 171.4 | 0 | 0 | 0 | 111.8 | I213 E214 E220 E221 | I213-L217 HydrophobicContact CG2-CD1 3.89Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 3.41Å; E214-L217 PolarHBondContact O-N 3.3Å; L217-E220 PolarHBondContact O-N 2.98Å; L217-E221 WeakPolarHBondContact O-CB 3.39Å; L217-E221 PolarHBondContact O-N 3.35Å |
| 218 | E | 85.9 | Confident | 83.2 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -31.8 | 178.1 | -152.6 | -170.4 | -166.1 | 0 | 0 | 112.2 | E214 Q215 R222 | E214-E218 WeakPolarHBondContact O-CB 3.33Å; E214-E218 PolarHBondContact O-N 2.95Å; Q215-E218 PolarHBondContact O-N 3.37Å; E218-R222 VanDerWaalsContact CG-NH1 3.34Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.12Å; E218-R222 IonicContact OE1-CZ 2.64Å; E218-R222 IonicContact OE1-NH1 2.95Å; E218-R222 IonicContact OE1-NH2 2.73Å; E218-R222 PolarHBondContact OE1-NH2 2.96Å; E218-R222 IonicContact OE2-CZ 3.59Å; E218-R222 VanDerWaalsContact OE2-CZ 3.31Å; E218-R222 IonicContact OE2-NH1 2.71Å; E218-R222 PolarHBondContact OE2-NH1 3.38Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 3.12Å |
| 219 | E | 84.1 | Confident | 81.7 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.3 | -43.8 | 171.1 | -77.6 | -172.8 | 169.6 | 0 | 0 | 112.1 | Q215 L216 R222 A223 | Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.01Å; L216-E219 PolarHBondContact O-N 3.44Å; E219-R222 PolarHBondContact O-N 2.94Å; E219-A223 WeakPolarHBondContact O-CB 3.21Å; E219-A223 PolarHBondContact O-N 3.47Å |
| 220 | E | 82.3 | Confident | 80.3 | Confident | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | 176.7 | -172 | 171.5 | -156.5 | 0 | 0 | 111.4 | L216 L217 R222 A223 E224 | L216-E220 PolarHBondContact O-N 3.32Å; L217-E220 PolarHBondContact O-N 2.98Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.1Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.61Å; E220-E224 PolarHBondContact O-N 3.34Å |
| 221 | E | 81.9 | Confident | 79 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.9 | -170.2 | -173.6 | 173.8 | 0 | 0 | 112 | L217 E224 K225 | L217-E221 WeakPolarHBondContact O-CB 3.39Å; L217-E221 PolarHBondContact O-N 3.35Å; E221-E224 PolarHBondContact O-N 3.05Å; E221-K225 HydrophobicContact CG-CD 4.37Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 3.32Å; E221-K225 WeakPolarHBondContact OE1-CE 3.34Å; E221-K225 IonicContact OE1-NZ 3.69Å; E221-K225 PolarHBondContact OE1-NZ 3.18Å |
| 222 | R | 76.1 | Confident | 78.1 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 174.9 | -79.1 | 179.4 | -175.2 | 117.7 | 1.5 | 112.2 | E218 E219 E220 E224 R226 | E218-R222 VanDerWaalsContact CG-NH1 3.34Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.12Å; E218-R222 IonicContact OE1-CZ 2.64Å; E218-R222 IonicContact OE1-NH1 2.95Å; E218-R222 IonicContact OE1-NH2 2.73Å; E218-R222 PolarHBondContact OE1-NH2 2.96Å; E218-R222 IonicContact OE2-CZ 3.59Å; E218-R222 VanDerWaalsContact OE2-CZ 3.31Å; E218-R222 IonicContact OE2-NH1 2.71Å; E218-R222 PolarHBondContact OE2-NH1 3.38Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 3.12Å; E219-R222 PolarHBondContact O-N 2.94Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.1Å; R222-E224 VanDerWaalsContact C-N 3.34Å; R222-R226 WeakPolarHBondContact O-CB 3.29Å; R222-R226 VanDerWaalsContact O-CG 3.29Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.39Å |
| 223 | A | 76.8 | Confident | 76.8 | Confident | 52 Ų | 52 | 104.9 Ų | 104.9 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E219 E220 R226 L227 | E219-A223 WeakPolarHBondContact O-CB 3.21Å; E219-A223 PolarHBondContact O-N 3.47Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.61Å; A223-R226 PolarHBondContact O-N 2.95Å; A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.03Å; A223-L227 VanDerWaalsContact O-N 3.1Å |
| 224 | E | 76.2 | Confident | 75.9 | Confident | 138 Ų | 138 | 108.7 Ų | 108.7 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -45.3 | 178.5 | -161.4 | 175.4 | -167.9 | 0 | 0 | 112.2 | E220 E221 R222 R226 L227 A228 | E220-E224 PolarHBondContact O-N 3.34Å; E221-E224 PolarHBondContact O-N 3.05Å; R222-E224 VanDerWaalsContact C-N 3.34Å; E224-R226 VanDerWaalsContact C-N 3.29Å; E224-R226 PolarHBondContact O-N 2.78Å; E224-L227 PolarHBondContact O-N 2.71Å; E224-A228 PolarHBondContact O-N 3.04Å |
| 225 | K | 74.2 | Confident | 75.3 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 173.6 | -74.7 | 174.2 | -175.9 | 168.1 | 0 | 112.7 | E221 L227 A228 L229 | E221-K225 HydrophobicContact CG-CD 4.37Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 3.32Å; E221-K225 WeakPolarHBondContact OE1-CE 3.34Å; E221-K225 IonicContact OE1-NZ 3.69Å; E221-K225 PolarHBondContact OE1-NZ 3.18Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.48Å; K225-A228 PolarHBondContact O-N 3.11Å; K225-L229 PolarHBondContact O-N 3.46Å; K225-L229 VanDerWaalsContact O-N 3.11Å |
| 226 | R | 70.7 | Confident | 74.5 | Confident | 194 Ų | 194 | 108.4 Ų | 108.4 | 73% | 0.732 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.4 | -20.8 | 174.7 | -80.1 | -179 | 179.6 | -122.2 | 3.3 | 113.5 | R222 A223 E224 P230 | R222-R226 WeakPolarHBondContact O-CB 3.29Å; R222-R226 VanDerWaalsContact O-CG 3.29Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.39Å; A223-R226 PolarHBondContact O-N 2.95Å; E224-R226 VanDerWaalsContact C-N 3.29Å; E224-R226 PolarHBondContact O-N 2.78Å; R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.48Å |
| 227 | L | 66.6 | Low | 73.7 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -88.6 | -31.6 | 173.7 | -69.7 | 170.4 | 0 | 0 | 0 | 111.8 | A223 E224 K225 P230 | A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.03Å; A223-L227 VanDerWaalsContact O-N 3.1Å; E224-L227 PolarHBondContact O-N 2.71Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.48Å; L227-P230 WeakPolarHBondContact O-CD 3.3Å |
| 228 | A | 67.6 | Low | 73.1 | Confident | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E224 K225 Q231 E232 | E224-A228 PolarHBondContact O-N 3.04Å; K225-A228 PolarHBondContact O-N 3.11Å; A228-Q231 WeakPolarHBondContact O-CB 3.31Å; A228-Q231 PolarHBondContact O-N 3.11Å; A228-Q231 VanDerWaalsContact O-N 3.16Å; A228-E232 PolarHBondContact O-N 2.94Å |
| 229 | L | 61.3 | Low | 72.5 | Confident | 112 Ų | 112 | 111.7 Ų | 111.7 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 179.3 | -84.7 | 167.7 | 0 | 0 | 0 | 114.8 | K225 Q231 E232 S233 | K225-L229 PolarHBondContact O-N 3.46Å; K225-L229 VanDerWaalsContact O-N 3.11Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 3.23Å; L229-E232 PolarHBondContact O-N 3.36Å; L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 2.81Å; L229-S233 PolarHBondContact O-OG 3.36Å |
| 230 | P | 64.3 | Low | 72 | Confident | 50 Ų | 50 | 109 Ų | 109 | 33% | 0.325 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -31.2 | 172.3 | -25.7 | 32.9 | 0 | 0 | 0 | 113.7 | R226 L227 S233 R234 | R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.48Å; L227-P230 WeakPolarHBondContact O-CD 3.3Å; P230-S233 VanDerWaalsContact CA-OG 3.31Å; P230-S233 WeakPolarHBondContact CA-OG 2.78Å; P230-S233 PolarHBondContact O-OG 3.44Å; P230-S233 VanDerWaalsContact O-OG 3.11Å; P230-R234 WeakPolarHBondContact O-CB 3.41Å; P230-R234 VanDerWaalsContact O-CG 3.3Å; P230-R234 WeakPolarHBondContact O-CG 3.01Å; P230-R234 PolarHBondContact O-N 3.16Å |
| 231 | Q | 64.5 | Low | 71.5 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.6 | -44.7 | 177.6 | -170.1 | -176.4 | -16.9 | 0 | 0 | 110.4 | A228 L229 R234 I235 | A228-Q231 WeakPolarHBondContact O-CB 3.31Å; A228-Q231 PolarHBondContact O-N 3.11Å; A228-Q231 VanDerWaalsContact O-N 3.16Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 3.23Å; Q231-R234 PolarHBondContact O-N 2.96Å; Q231-I235 HydrophobicContact CG-CD1 3.96Å; Q231-I235 WeakPolarHBondContact O-CD1 3.21Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.47Å |
| 232 | E | 66.9 | Low | 71 | Confident | 92 Ų | 92 | 108.8 Ų | 108.8 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | -179.9 | -154.8 | -173.1 | 161.6 | 0 | 0 | 112.2 | A228 L229 I235 R236 | A228-E232 PolarHBondContact O-N 2.94Å; L229-E232 PolarHBondContact O-N 3.36Å; E232-I235 PolarHBondContact O-N 3.46Å; E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.31Å; E232-R236 IonicContact OE1-NE 2.61Å; E232-R236 IonicContact OE1-NH2 3.05Å; E232-R236 PolarHBondContact OE1-NH2 2.97Å |
| 233 | S | 66.4 | Low | 70.5 | Confident | 64 Ų | 64 | 109.1 Ų | 109.1 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -42 | 174.2 | 52 | 0 | 0 | 0 | 0 | 112.5 | L229 P230 R236 Q237 | L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 2.81Å; L229-S233 PolarHBondContact O-OG 3.36Å; P230-S233 VanDerWaalsContact CA-OG 3.31Å; P230-S233 WeakPolarHBondContact CA-OG 2.78Å; P230-S233 PolarHBondContact O-OG 3.44Å; P230-S233 VanDerWaalsContact O-OG 3.11Å; S233-R236 PolarHBondContact O-N 3.01Å; S233-Q237 WeakPolarHBondContact O-CB 3.41Å; S233-Q237 PolarHBondContact O-N 3.43Å |
| 234 | R | 71.8 | Confident | 69.7 | Low | 172 Ų | 172 | 108.9 Ų | 108.9 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 172.8 | -80.9 | -173.4 | -127.3 | -176.2 | 0.1 | 112.3 | P230 Q231 Q237 L238 | P230-R234 WeakPolarHBondContact O-CB 3.41Å; P230-R234 VanDerWaalsContact O-CG 3.3Å; P230-R234 WeakPolarHBondContact O-CG 3.01Å; P230-R234 PolarHBondContact O-N 3.16Å; Q231-R234 PolarHBondContact O-N 2.96Å; R234-Q237 PolarHBondContact O-N 2.93Å; R234-L238 WeakPolarHBondContact O-CG 3.34Å; R234-L238 PolarHBondContact O-N 2.95Å |
| 235 | I | 75.9 | Confident | 68.7 | Low | 75 Ų | 75 | 110.3 Ų | 110.3 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 177.8 | -69.8 | 164.7 | 0 | 0 | 0 | 110.6 | Q231 E232 Q237 L238 Q239 | Q231-I235 HydrophobicContact CG-CD1 3.96Å; Q231-I235 WeakPolarHBondContact O-CD1 3.21Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.47Å; E232-I235 PolarHBondContact O-N 3.46Å; I235-Q237 PolarHBondContact O-N 2.71Å; I235-L238 PolarHBondContact O-N 2.94Å; I235-Q239 WeakPolarHBondContact O-CG 3.37Å; I235-Q239 PolarHBondContact O-N 3.33Å |
| 236 | R | 72.2 | Confident | 67.7 | Low | 155 Ų | 155 | 109.8 Ų | 109.8 | 59% | 0.585 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 176.3 | -71.3 | -178.6 | -163.3 | -130.6 | 8 | 112.4 | E232 S233 Q239 S240 | E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.31Å; E232-R236 IonicContact OE1-NE 2.61Å; E232-R236 IonicContact OE1-NH2 3.05Å; E232-R236 PolarHBondContact OE1-NH2 2.97Å; S233-R236 PolarHBondContact O-N 3.01Å; R236-Q239 PolarHBondContact O-N 3Å; R236-S240 PolarHBondContact O-N 3.1Å |
| 237 | Q | 73.6 | Confident | 66.8 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 58% | 0.575 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 177.2 | -167.9 | 176 | -4.5 | 0 | 0 | 111.5 | S233 R234 I235 S240 M241 | S233-Q237 WeakPolarHBondContact O-CB 3.41Å; S233-Q237 PolarHBondContact O-N 3.43Å; R234-Q237 PolarHBondContact O-N 2.93Å; I235-Q237 PolarHBondContact O-N 2.71Å; Q237-S240 PolarHBondContact O-N 3.46Å; Q237-S240 PolarHBondContact O-OG 2.7Å; Q237-M241 PolarHBondContact O-N 3.33Å; Q237-M241 VanDerWaalsContact O-N 3.1Å |
| 238 | L | 74.9 | Confident | 66.1 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -41.8 | 174 | -71.7 | 169.4 | 0 | 0 | 0 | 112.2 | R234 I235 S240 M241 L242 | R234-L238 WeakPolarHBondContact O-CG 3.34Å; R234-L238 PolarHBondContact O-N 2.95Å; I235-L238 PolarHBondContact O-N 2.94Å; L238-S240 PolarHBondContact O-N 3.28Å; L238-M241 HydrophobicContact CD2-CE 3.72Å; L238-M241 PolarHBondContact O-N 2.92Å; L238-L242 PolarHBondContact O-N 3.35Å |
| 239 | Q | 75.2 | Confident | 65 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 52% | 0.519 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.6 | -41 | 174.4 | -75.1 | 176.3 | -23.1 | 0 | 0 | 112.2 | I235 R236 M241 L242 L243 | I235-Q239 WeakPolarHBondContact O-CG 3.37Å; I235-Q239 PolarHBondContact O-N 3.33Å; R236-Q239 PolarHBondContact O-N 3Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.49Å; Q239-L242 PolarHBondContact O-N 2.95Å; Q239-L243 WeakPolarHBondContact O-CD1 3.39Å; Q239-L243 PolarHBondContact O-N 2.93Å |
| 240 | S | 73 | Confident | 65.1 | Low | 72 Ų | 72 | 116.5 Ų | 116.5 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.3 | -35.1 | 176.1 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | R236 Q237 L238 G244 | R236-S240 PolarHBondContact O-N 3.1Å; Q237-S240 PolarHBondContact O-N 3.46Å; Q237-S240 PolarHBondContact O-OG 2.7Å; L238-S240 PolarHBondContact O-N 3.28Å; S240-G244 PolarHBondContact O-N 3.31Å |
| 241 | M | 72.3 | Confident | 65.2 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 49% | 0.488 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.8 | -32.5 | 176 | -73.3 | -166.8 | -63 | 0 | 0 | 112.5 | Q237 L238 Q239 K245 | Q237-M241 PolarHBondContact O-N 3.33Å; Q237-M241 VanDerWaalsContact O-N 3.1Å; L238-M241 HydrophobicContact CD2-CE 3.72Å; L238-M241 PolarHBondContact O-N 2.92Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.49Å; M241-K245 WeakPolarHBondContact O-CG 3.49Å; M241-K245 PolarHBondContact O-N 3.38Å |
| 242 | L | 69.8 | Low | 65.2 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.5 | -42.4 | 174.9 | -78.7 | 161.8 | 0 | 0 | 0 | 111.7 | L238 Q239 K245 | L238-L242 PolarHBondContact O-N 3.35Å; Q239-L242 PolarHBondContact O-N 2.95Å; L242-K245 PolarHBondContact O-N 3.27Å |
| 243 | L | 65.4 | Low | 65.1 | Low | 135 Ų | 135 | 121.3 Ų | 121.3 | 71% | 0.707 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.2 | -38.6 | 175 | -97.3 | 76.7 | 0 | 0 | 0 | 112.5 | Q239 K245 S246 | Q239-L243 WeakPolarHBondContact O-CD1 3.39Å; Q239-L243 PolarHBondContact O-N 2.93Å; L243-K245 PolarHBondContact O-N 3.41Å; L243-S246 PolarHBondContact O-N 3.28Å |
| 244 | G | 60.2 | Low | 65 | Low | 47 Ų | 47 | 124.9 Ų | 124.9 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.7 | -15.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S240 | S240-G244 PolarHBondContact O-N 3.31Å |
| 245 | K | 56.2 | Low | 64.6 | Low | 168 Ų | 168 | 121.7 Ų | 121.7 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -6.9 | 176 | -83.5 | 178.7 | 172 | 179 | 0 | 114.1 | M241 L242 L243 | M241-K245 WeakPolarHBondContact O-CG 3.49Å; M241-K245 PolarHBondContact O-N 3.38Å; L242-K245 PolarHBondContact O-N 3.27Å; L243-K245 PolarHBondContact O-N 3.41Å |
| 246 | S | 52.9 | Low | 63.8 | Low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 14 | -178.7 | -166.2 | 0 | 0 | 0 | 0 | 114.5 | L243 | L243-S246 PolarHBondContact O-N 3.28Š|
| 247 | S | 52.6 | Low | 63.1 | Low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 19.3 | -179 | -67.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 248 | Y | 51.6 | Low | 62.3 | Low | 205 Ų | 205 | 122.8 Ų | 122.8 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -133 | 76.9 | 170.4 | -52.2 | -79.1 | 0 | 0 | 0 | 110.5 | ||||
| 249 | C | 43 | Very low | 61.1 | Low | 210 Ų | 210 | 124.7 Ų | 124.7 | 100% | 1.419 | 70% | 0.701 | S | S | * | * | trans | -148.2 | 0 | 150.3 | -85.9 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 249 of 249 residues in 118.2 ms
(Link to these results)