| 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 | P | 57.1 | Low | 54.4 | Low | 171 Ų | 171 | 137.9 Ų | 137.9 | 100% | 1.11 | 72% | 0.717 | S | S | * | * | 0 | 90 | 0 | 30.6 | -8.7 | 0 | 0 | 0 | 109.5 | |||||
| 2 | L | 53.2 | Low | 54.5 | Low | 145 Ų | 145 | 142.9 Ų | 142.9 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | -157.9 | 6.1 | 74.2 | -108.1 | 101.4 | 0 | 0 | 0 | 112.4 | |||||
| 3 | T | 53.2 | Low | 54.6 | Low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -96.1 | -8 | -164.8 | 48.2 | 0 | 0 | 0 | 0 | 116.2 | T7 | T3-T7 PolarHBondContact O-OG1 2.94Š|
| 4 | H | 51.6 | Low | 54.7 | Low | 153 Ų | 153 | 136 Ų | 136 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -9.8 | -178.7 | -120.9 | -56.1 | 0 | 0 | 0 | 115.1 | ||
| 5 | K | 52.3 | Low | 54.7 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -21.3 | 177.3 | -82.5 | -175.5 | 176.4 | -178.5 | 0 | 113.8 | ||
| 6 | M | 53.7 | Low | 54.6 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.8 | -32.2 | 176.4 | -80.4 | 175.8 | 71.2 | 0 | 0 | 113.4 | R8 C9 L10 | M6-R8 PolarHBondContact O-N 3Å; M6-C9 PolarHBondContact O-N 3.36Å; M6-L10 PolarHBondContact O-N 3.19Å |
| 7 | T | 56.2 | Low | 54.4 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 52% | 0.515 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -71.3 | -28.9 | -179.9 | 6 | 0 | 0 | 0 | 0 | 113.5 | T3 L11 | T3-T7 PolarHBondContact O-OG1 2.94Å; T7-L11 PolarHBondContact O-N 2.67Å |
| 8 | R | 54.9 | Low | 54.3 | Low | 192 Ų | 192 | 125.6 Ų | 125.6 | 73% | 0.725 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.3 | -21.4 | 175.9 | -74 | -177.3 | 175.7 | 176.7 | -0.3 | 113.6 | M6 | M6-R8 PolarHBondContact O-N 3Å |
| 9 | C | 53.5 | Low | 53.9 | Low | 84 Ų | 84 | 124.1 Ų | 124.1 | 57% | 0.568 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.5 | -39.9 | 176.9 | -127.2 | 0 | 0 | 0 | 0 | 111.8 | M6 L11 R12 L13 | M6-C9 PolarHBondContact O-N 3.36Å; C9-L11 PolarHBondContact O-N 2.83Å; C9-R12 PolarHBondContact O-N 2.74Å; C9-L13 PolarHBondContact O-N 3.24Å |
| 10 | L | 55.7 | Low | 53.6 | Low | 121 Ų | 121 | 123.5 Ų | 123.5 | 63% | 0.634 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.8 | -34.7 | 177.2 | -76.3 | 159.7 | 0 | 0 | 0 | 112.9 | M6 A14 | M6-L10 PolarHBondContact O-N 3.19Å; L10-A14 PolarHBondContact O-N 2.74Å |
| 11 | L | 56.5 | Low | 53.1 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.8 | -31.9 | 177.8 | -135.7 | 85.7 | 0 | 0 | 0 | 113.1 | T7 C9 L15 | T7-L11 PolarHBondContact O-N 2.67Å; C9-L11 PolarHBondContact O-N 2.83Å; L11-L15 PolarHBondContact O-N 2.92Å |
| 12 | R | 56.1 | Low | 52.3 | Low | 198 Ų | 198 | 124 Ų | 124 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.9 | -29.8 | 179 | -75.1 | -174.9 | 174 | -168.1 | -2.5 | 113 | C9 | C9-R12 PolarHBondContact O-N 2.74Å |
| 13 | L | 55.3 | Low | 51.7 | Low | 125 Ų | 125 | 122 Ų | 122 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74 | -33.1 | 173.2 | -96.1 | 132.5 | 0 | 0 | 0 | 112.8 | C9 A17 | C9-L13 PolarHBondContact O-N 3.24Å; L13-A17 PolarHBondContact O-N 3Å |
| 14 | A | 56.6 | Low | 51.2 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.6 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L10 A18 | L10-A14 PolarHBondContact O-N 2.74Å; A14-A18 PolarHBondContact O-N 2.99Å |
| 15 | L | 54.2 | Low | 50.4 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.4 | -29.9 | 178.3 | -92.8 | 148.8 | 0 | 0 | 0 | 113.5 | L11 | L11-L15 PolarHBondContact O-N 2.92Å |
| 16 | L | 53.3 | Low | 49.6 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.7 | -30.9 | 175.9 | -80.7 | 161.6 | 0 | 0 | 0 | 112.7 | ||
| 17 | A | 52 | Low | 48.5 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 47% | 0.471 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -74.3 | -28.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L13 | L13-A17 PolarHBondContact O-N 3Å |
| 18 | A | 51.9 | Low | 47.3 | Very low | 52 Ų | 52 | 119.4 Ų | 119.4 | 43% | 0.43 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -75.7 | -29.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A14 L22 | A14-A18 PolarHBondContact O-N 2.99Å; A18-L22 WeakPolarHBondContact O-CD1 3.14Å |
| 19 | C | 47.6 | Very low | 46.2 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.4 | -21 | 178.5 | -77.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 20 | V | 47.2 | Very low | 45.2 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -85.6 | -16.6 | -180 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 21 | L | 42.2 | Very low | 43.8 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -96.8 | -4.5 | -178.7 | -73.3 | 167.8 | 0 | 0 | 0 | 114.9 | ||
| 22 | L | 40.9 | Very low | 42.4 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -100.7 | -0.6 | 179.3 | -92.3 | 111.5 | 0 | 0 | 0 | 115.4 | A18 | A18-L22 WeakPolarHBondContact O-CD1 3.14Š|
| 23 | S | 40.4 | Very low | 41 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -104.3 | 17.4 | -178 | 58.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 24 | A | 42.4 | Very low | 39.6 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -141.1 | 64.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 25 | R | 36.1 | Very low | 38.2 | Very low | 248 Ų | 248 | 117.8 Ų | 117.8 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | -142 | 100.2 | 155.7 | -82.9 | -169.2 | 170.9 | 173.9 | -4.4 | 109.6 | ||||
| 26 | G | 34 | Very low | 37.1 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 138.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | A | 30.7 | Very low | 35.8 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -118.6 | 118.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 28 | A | 31.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 139.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | A | 31 | Very low | 33.8 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -104 | 148.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 30 | P | 33 | Very low | 33 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -93.5 | 164.4 | -166.3 | 37.1 | -32.7 | 0 | 0 | 0 | 114.1 | ||||
| 31 | D | 26.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -67.9 | 168.1 | 174.4 | -73.1 | -56.6 | 0 | 0 | 0 | 115.4 | ||||
| 32 | A | 26.1 | Very low | 32.5 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | 87.4 | 134.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | E | 26.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 124 Ų | 124 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | cis | -164 | 154.4 | 28 | -140.5 | 166.3 | -176.1 | 0 | 0 | 110.5 | ||||
| 34 | A | 27.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 137.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 35 | A | 26.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -136.1 | 116.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | T | 30.8 | Very low | 32.5 | Very low | 152 Ų | 152 | 115.4 Ų | 115.4 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | trans | -61.6 | 124.6 | -179.9 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 37 | G | 25 | Very low | 32.8 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -137.9 | 112.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | G39 | G37-G39 PolarHBondContact O-N 3.38Š| ||
| 38 | A | 37.3 | Very low | 33.6 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 96% | 0.959 | 79% | 0.785 | S | S | * | * | trans | -58.2 | 105.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | G | 25.1 | Very low | 34 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -111.5 | 115.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G37 | G37-G39 PolarHBondContact O-N 3.38Š| ||
| 40 | A | 30.5 | Very low | 34.6 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -50.3 | 146.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 41 | H | 36.3 | Very low | 35 | Very low | 189 Ų | 189 | 110.6 Ų | 110.6 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | trans | -42.9 | 133.8 | 166.2 | -95.4 | -76.5 | 0 | 0 | 0 | 112.7 | ||||
| 42 | P | 43.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 107 Ų | 107 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -91.3 | 113.3 | 164.7 | 24.7 | -11.2 | 0 | 0 | 0 | 110.3 | ||||
| 43 | E | 39.6 | Very low | 36 | Very low | 187 Ų | 187 | 113.7 Ų | 113.7 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | 63.6 | 79.7 | 144.5 | -52.1 | -162.1 | 162.4 | 0 | 0 | 117.9 | C45 | E43-C45 PolarHBondContact O-N 3.07Š| ||
| 44 | S | 36.6 | Very low | 36.6 | Very low | 78 Ų | 78 | 112.1 Ų | 112.1 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | trans | -60.8 | 129.4 | 147.8 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | A46 A49 | S44-A46 PolarHBondContact O-N 3.21Å; S44-A49 PolarHBondContact OG-N 2.94Å | ||
| 45 | C | 39.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 52% | 0.52 | 75% | 0.751 | S | S | . | * | trans | -50 | 134.4 | 169.3 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | E43 S47 C48 A49 | E43-C45 PolarHBondContact O-N 3.07Å; C45-S47 PolarHBondContact O-N 2.87Å; C45-C48 HydrophobicContact CB-CB 4.24Å; C45-C48 PolarHBondContact O-N 3.48Å; C45-A49 PolarHBondContact O-N 3.02Å | ||
| 46 | A | 42.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -20.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S44 | S44-A46 PolarHBondContact O-N 3.21Š|
| 47 | S | 41.4 | Very low | 38 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -15.7 | 174.3 | -52.7 | 0 | 0 | 0 | 0 | 114.9 | C45 | C45-S47 PolarHBondContact O-N 2.87Š|
| 48 | C | 48.1 | Very low | 38.5 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 47% | 0.473 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -8.1 | -173.4 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | C45 A50 S51 | C45-C48 HydrophobicContact CB-CB 4.24Å; C45-C48 PolarHBondContact O-N 3.48Å; C48-A50 PolarHBondContact O-N 2.72Å; C48-S51 PolarHBondContact O-N 3.47Å |
| 49 | A | 38.9 | Very low | 38.5 | Very low | 61 Ų | 61 | 123.5 Ų | 123.5 | 50% | 0.504 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -69.2 | -15.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S44 C45 S51 | S44-A49 PolarHBondContact OG-N 2.94Å; C45-A49 PolarHBondContact O-N 3.02Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.93Å |
| 50 | A | 43.3 | Very low | 39.6 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -71.8 | -22.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C48 A52 | C48-A50 PolarHBondContact O-N 2.72Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.26Å |
| 51 | S | 41.3 | Very low | 40.4 | Very low | 93 Ų | 93 | 130 Ų | 130 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -80.1 | -2.6 | -173.5 | -42.2 | 0 | 0 | 0 | 0 | 114.6 | C48 A49 | C48-S51 PolarHBondContact O-N 3.47Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.93Å |
| 52 | A | 36.4 | Very low | 41.4 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -93.5 | 2.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | A50 | A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.26Å |
| 53 | R | 37.3 | Very low | 42.5 | Very low | 231 Ų | 231 | 124.4 Ų | 124.4 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | -132.6 | 87.6 | 175.1 | -71.6 | -174.8 | -179.6 | 170.2 | 0.1 | 110.3 | ||||
| 54 | L | 39.6 | Very low | 44.2 | Very low | 160 Ų | 160 | 117.7 Ų | 117.7 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -97.6 | 90.6 | 166.6 | -70.8 | 167.7 | 0 | 0 | 0 | 108.1 | ||||
| 55 | E | 39 | Very low | 46.1 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 138 | 140.8 | -74.7 | -176 | 147.8 | 0 | 0 | 106.4 | ||
| 56 | E | 37.6 | Very low | 48 | Very low | 191 Ų | 191 | 119.5 Ų | 119.5 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 130.6 | -175.5 | -64.4 | -159.6 | 138.9 | 0 | 0 | 111.4 | E58 | E56-E58 PolarHBondContact O-N 2.83Š|
| 57 | P | 39.2 | Very low | 49.9 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 124.3 | -179 | 29.2 | -29.5 | 0 | 0 | 0 | 110.9 | ||
| 58 | E | 35 | Very low | 52.1 | Low | 164 Ų | 164 | 116 Ų | 116 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.5 | 161.5 | -76.9 | -81.3 | 144.3 | 0 | 0 | 110.3 | E56 G60 | E56-E58 PolarHBondContact O-N 2.83Å; E58-G60 PolarHBondContact O-N 3.22Å; E58-G60 VanDerWaalsContact O-N 3.09Å |
| 59 | P | 37 | Very low | 53.9 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 84% | 0.844 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 110.8 | -174.8 | 27.4 | -31.1 | 0 | 0 | 0 | 110.5 | ||
| 60 | G | 48.3 | Very low | 56.2 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 86% | 0.856 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.6 | -4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E58 | E58-G60 PolarHBondContact O-N 3.22Å; E58-G60 VanDerWaalsContact O-N 3.09Å |
| 61 | R | 48.8 | Very low | 58.4 | Low | 224 Ų | 224 | 110.7 Ų | 110.7 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | trans | -106.7 | 102.9 | 173.2 | -163.1 | 171.8 | -173.6 | 163.1 | -0.4 | 109.4 | D63 | R61-D63 PolarHBondContact O-N 3.09Š| ||
| 62 | V | 55.6 | Low | 60.7 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | trans | -60.2 | 123.6 | 166.4 | -174.7 | 0 | 0 | 0 | 0 | 106.8 | G64 F66 | V62-G64 PolarHBondContact O-N 3.47Å; V62-F66 HydrophobicContact CG1-CD1 3.96Å | ||
| 63 | D | 67.9 | Low | 63.2 | Low | 101 Ų | 101 | 113 Ų | 113 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | trans | -55.7 | 127.8 | -179 | -170.5 | 2.1 | 0 | 0 | 0 | 109.8 | R61 D65 F66 L67 | R61-D63 PolarHBondContact O-N 3.09Å; D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 2.81Å; D63-F66 HydrophobicContact CB-CB 4.23Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 2.95Å; D63-L67 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-N 3.16Å | ||
| 64 | G | 74.1 | Confident | 65.6 | Low | 47 Ų | 47 | 102 Ų | 102 | 49% | 0.485 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V62 L67 E68 | V62-G64 PolarHBondContact O-N 3.47Å; G64-L67 PolarHBondContact O-N 2.94Å; G64-E68 PolarHBondContact O-N 3.36Å; G64-E68 VanDerWaalsContact O-N 3.1Å |
| 65 | D | 77.6 | Confident | 68 | Low | 120 Ų | 120 | 95.4 Ų | 95.4 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.1 | -36.6 | 177.9 | -71 | -16.3 | 0 | 0 | 0 | 112.1 | D63 E68 A69 | D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 2.81Å; D65-E68 PolarHBondContact O-N 3.24Å; D65-A69 PolarHBondContact O-N 3.26Å |
| 66 | F | 79.3 | Confident | 70.3 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 32% | 0.316 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 175.3 | -179 | -98.9 | 0 | 0 | 0 | 111.6 | V62 D63 E68 A69 V70 F302 Y325 | V62-F66 HydrophobicContact CG1-CD1 3.96Å; D63-F66 HydrophobicContact CB-CB 4.23Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 2.95Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 2.96Å; F66-A69 WeakPolarHBondContact O-CB 3.4Å; F66-A69 PolarHBondContact O-N 2.88Å; F66-A69 VanDerWaalsContact O-N 3.16Å; F66-V70 HydrophobicContact CD1-CG2 4.41Å; F66-V70 HydrophobicContact CE1-CG2 4.04Å; F66-V70 HydrophobicContact CZ-CG2 4.3Å; F66-V70 PolarHBondContact O-N 3.39Å; F66-F302 HydrophobicContact CD1-CZ 4.41Å; F66-F302 HydrophobicContact CE1-CD1 4.09Å; F66-F302 HydrophobicContact CE1-CD2 4.43Å; F66-F302 AromaticContact CE1-CE1 3.57Å; F66-F302 HydrophobicContact CE1-CE1 3.57Å; F66-F302 AromaticContact CE1-CE2 3.97Å; F66-F302 HydrophobicContact CE1-CE2 3.97Å; F66-F302 AromaticContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CZ-CD1 4.19Å; F66-F302 HydrophobicContact CZ-CE1 4.11Å; F66-F302 HydrophobicContact CZ-CZ 4.4Å; F66-Y325 HydrophobicContact CZ-CD1 4.31Å; F66-Y325 HydrophobicContact CZ-CE1 4.26Å |
| 67 | L | 82.7 | Confident | 72.6 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 176.8 | -165 | 69.5 | 0 | 0 | 0 | 111.7 | D63 G64 V70 K71 I309 | D63-L67 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-N 3.16Å; G64-L67 PolarHBondContact O-N 2.94Å; L67-V70 PolarHBondContact O-N 3.41Å; L67-K71 WeakPolarHBondContact O-CG 3.02Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-K71 VanDerWaalsContact O-N 3.11Å; L67-I309 HydrophobicContact CD1-CG2 3.58Å; L67-I309 HydrophobicContact CG-CG2 4.39Å |
| 68 | E | 86.3 | Confident | 74.6 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 178.2 | -161.9 | 59.8 | -152.4 | 0 | 0 | 111.7 | G64 D65 F66 K71 R72 | G64-E68 PolarHBondContact O-N 3.36Å; G64-E68 VanDerWaalsContact O-N 3.1Å; D65-E68 PolarHBondContact O-N 3.24Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 2.99Å; E68-K71 IonicContact OE2-NZ 2.81Å; E68-R72 VanDerWaalsContact CG-CZ 3.48Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 2.9Å |
| 69 | A | 87 | Confident | 76.9 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 39% | 0.388 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D65 F66 R72 H73 | D65-A69 PolarHBondContact O-N 3.26Å; F66-A69 WeakPolarHBondContact O-CB 3.4Å; F66-A69 PolarHBondContact O-N 2.88Å; F66-A69 VanDerWaalsContact O-N 3.16Å; A69-R72 PolarHBondContact O-N 3.47Å; A69-H73 WeakPolarHBondContact O-CB 3.48Å; A69-H73 PolarHBondContact O-N 3.41Å |
| 70 | V | 86.9 | Confident | 79 | Confident | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | F66 L67 R72 H73 I74 F302 I304 | F66-V70 HydrophobicContact CD1-CG2 4.41Å; F66-V70 HydrophobicContact CE1-CG2 4.04Å; F66-V70 HydrophobicContact CZ-CG2 4.3Å; F66-V70 PolarHBondContact O-N 3.39Å; L67-V70 PolarHBondContact O-N 3.41Å; V70-R72 PolarHBondContact O-N 3.05Å; V70-H73 WeakPolarHBondContact O-CB 2.88Å; V70-H73 PolarHBondContact O-N 3.04Å; V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.35Å; V70-I74 PolarHBondContact O-N 2.8Å; V70-F302 HydrophobicContact CG2-CE1 4.26Å; V70-I304 HydrophobicContact CG1-CD1 3.52Å; V70-I304 HydrophobicContact CG1-CG1 3.95Å; V70-I304 HydrophobicContact CG1-CG2 4.09Å; V70-I304 HydrophobicContact CG2-CD1 4.46Å |
| 71 | K | 90.2 | Very high | 80.7 | Confident | 44 Ų | 44 | 81.9 Ų | 81.9 | 19% | 0.191 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 177.4 | -72.6 | 177.4 | -176.4 | 169.4 | 0 | 111.6 | L67 E68 H73 I74 L75 I309 W311 | L67-K71 WeakPolarHBondContact O-CG 3.02Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-K71 VanDerWaalsContact O-N 3.11Å; E68-K71 PolarHBondContact O-N 2.99Å; E68-K71 IonicContact OE2-NZ 2.81Å; K71-H73 VanDerWaalsContact C-N 3.28Å; K71-H73 PolarHBondContact O-N 3.33Å; K71-I74 PolarHBondContact O-N 3.37Å; K71-L75 PolarHBondContact O-N 3.06Å; K71-I309 HydrophobicContact CG-CD1 4.48Å; K71-W311 HydrophobicContact CB-CH2 3.66Å; K71-W311 HydrophobicContact CB-CZ2 3.55Å; K71-W311 HydrophobicContact CD-CZ2 3.95Å; K71-W311 HydrophobicContact CG-CH2 3.93Å; K71-W311 HydrophobicContact CG-CZ2 3.52Å; K71-W311 VanDerWaalsContact O-CH2 3.31Å; K71-W311 WeakPolarHBondContact O-CH2 3.5Å |
| 72 | R | 89.9 | Confident | 82.5 | Confident | 148 Ų | 148 | 78 Ų | 78 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 177.2 | -68.9 | -175.7 | -148.5 | 109.8 | -6 | 112.1 | E68 A69 V70 S76 | E68-R72 VanDerWaalsContact CG-CZ 3.48Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 2.9Å; A69-R72 PolarHBondContact O-N 3.47Å; V70-R72 PolarHBondContact O-N 3.05Å; R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 2.95Å |
| 73 | H | 88.3 | Confident | 83.9 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 38% | 0.384 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -52.2 | 176.3 | -179.1 | 77.3 | 0 | 0 | 0 | 111.1 | A69 V70 K71 L75 S76 R77 | A69-H73 WeakPolarHBondContact O-CB 3.48Å; A69-H73 PolarHBondContact O-N 3.41Å; V70-H73 WeakPolarHBondContact O-CB 2.88Å; V70-H73 PolarHBondContact O-N 3.04Å; K71-H73 VanDerWaalsContact C-N 3.28Å; K71-H73 PolarHBondContact O-N 3.33Å; H73-L75 PolarHBondContact O-N 2.62Å; H73-S76 WeakPolarHBondContact O-CB 3.5Å; H73-S76 PolarHBondContact O-N 3.03Å; H73-R77 WeakPolarHBondContact O-CG 3.35Å; H73-R77 PolarHBondContact O-N 3.17Å |
| 74 | I | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | -179.5 | -62.1 | 155.2 | 0 | 0 | 0 | 111.2 | V70 K71 S76 R77 L78 F306 I309 W311 Y321 M376 M393 | V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.35Å; V70-I74 PolarHBondContact O-N 2.8Å; K71-I74 PolarHBondContact O-N 3.37Å; I74-S76 VanDerWaalsContact C-N 3.34Å; I74-S76 PolarHBondContact O-N 2.74Å; I74-R77 PolarHBondContact O-N 3.06Å; I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.33Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 2.72Å; I74-F306 HydrophobicContact CD1-CE1 3.91Å; I74-I309 HydrophobicContact CD1-CD1 4.14Å; I74-W311 HydrophobicContact CB-CH2 4.36Å; I74-W311 HydrophobicContact CB-CZ3 3.71Å; I74-W311 HydrophobicContact CD1-CE3 4.23Å; I74-W311 HydrophobicContact CD1-CZ3 3.83Å; I74-W311 HydrophobicContact CG1-CZ3 4.4Å; I74-W311 HydrophobicContact CG2-CE3 4.36Å; I74-W311 HydrophobicContact CG2-CZ3 3.63Å; I74-Y321 HydrophobicContact CD1-CE1 4.47Å; I74-Y321 HydrophobicContact CG1-CE1 4.5Å; I74-M376 HydrophobicContact CG2-CE 4.42Å; I74-M393 HydrophobicContact CB-CE 4.2Å; I74-M393 HydrophobicContact CG1-CE 3.71Å; I74-M393 HydrophobicContact CG2-CE 4.1Å |
| 75 | L | 89.4 | Confident | 84.9 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 177.7 | -73.2 | 168.8 | 0 | 0 | 0 | 111.8 | K71 H73 R77 L78 Q79 L80 E82 W311 W314 | K71-L75 PolarHBondContact O-N 3.06Å; H73-L75 PolarHBondContact O-N 2.62Å; L75-R77 PolarHBondContact O-N 2.83Å; L75-L78 CarbonylContact O-C 3.51Å; L75-L78 PolarHBondContact O-N 2.02Å; L75-Q79 PolarHBondContact O-N 3.44Å; L75-L80 CarbonylContact C-O 3.53Å; L75-L80 HydrophobicContact CD2-CB 3.77Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 PolarHBondContact O-N 2.89Å; L75-E82 WeakPolarHBondContact CD2-O 3.29Å; L75-W311 HydrophobicContact CD1-CH2 4.02Å; L75-W311 HydrophobicContact CD1-CZ2 4.29Å; L75-W311 HydrophobicContact CD2-CH2 4.18Å; L75-W311 HydrophobicContact CG-CH2 3.69Å; L75-W311 HydrophobicContact CG-CZ2 4.39Å; L75-W311 HydrophobicContact CG-CZ3 4.44Å; L75-W314 HydrophobicContact CD2-CH2 4.34Å; L75-W314 HydrophobicContact CD2-CZ2 4.43Å |
| 76 | S | 87.8 | Confident | 84.6 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 176.3 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | R72 H73 I74 L78 Q79 | R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 2.95Å; H73-S76 WeakPolarHBondContact O-CB 3.5Å; H73-S76 PolarHBondContact O-N 3.03Å; I74-S76 VanDerWaalsContact C-N 3.34Å; I74-S76 PolarHBondContact O-N 2.74Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.09Å; S76-Q79 PolarHBondContact O-N 2.9Å; S76-Q79 VanDerWaalsContact O-N 3.16Å |
| 77 | R | 85.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 177.7 | -61.2 | -52.4 | -69.8 | 174.3 | 5.6 | 112.3 | H73 I74 L75 Q79 V390 P391 N392 M393 | H73-R77 WeakPolarHBondContact O-CG 3.35Å; H73-R77 PolarHBondContact O-N 3.17Å; I74-R77 PolarHBondContact O-N 3.06Å; L75-R77 PolarHBondContact O-N 2.83Å; R77-Q79 VanDerWaalsContact C-N 3.26Å; R77-V390 HydrophobicContact CB-CG1 3.61Å; R77-P391 VanDerWaalsContact CZ-O 3.31Å; R77-P391 PolarHBondContact NE-O 2.89Å; R77-P391 PolarHBondContact NH2-O 3.37Å; R77-N392 PolarHBondContact NE-O 3.35Å; R77-N392 PolarHBondContact NH2-ND2 2.79Å; R77-M393 HydrophobicContact CB-SD 3.92Å; R77-M393 HydrophobicContact CG-SD 3.77Å |
| 78 | L | 80.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.7 | -11.5 | 175.2 | -68.2 | 176.5 | 0 | 0 | 0 | 113.5 | I74 L75 S76 L80 W314 M376 Y378 R388 V390 | I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.33Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 2.72Å; L75-L78 CarbonylContact O-C 3.51Å; L75-L78 PolarHBondContact O-N 2.02Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.09Å; L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 HydrophobicContact CB-CD1 4.08Å; L78-L80 HydrophobicContact CB-CG 4.08Å; L78-L80 HydrophobicContact CD1-CD1 4.32Å; L78-W314 HydrophobicContact CD1-CH2 3.62Å; L78-W314 HydrophobicContact CD1-CZ3 4Å; L78-M376 HydrophobicContact CD1-CE 4.27Å; L78-M376 HydrophobicContact CD2-SD 4Å; L78-Y378 HydrophobicContact CD2-CD1 4.19Å; L78-Y378 HydrophobicContact CD2-CE1 3.64Å; L78-R388 PolarHBondContact O-NH1 3.48Å; L78-V390 HydrophobicContact CD2-CG2 3.53Å |
| 79 | Q | 84.3 | Confident | 81.4 | Confident | 145 Ų | 145 | 80 Ų | 80 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 30.9 | -175.1 | -54.9 | 168.6 | -18.8 | 0 | 0 | 113 | L75 S76 R77 R388 | L75-Q79 PolarHBondContact O-N 3.44Å; S76-Q79 PolarHBondContact O-N 2.9Å; S76-Q79 VanDerWaalsContact O-N 3.16Å; R77-Q79 VanDerWaalsContact C-N 3.26Å; Q79-R388 VanDerWaalsContact CD-NH2 3.27Å; Q79-R388 VanDerWaalsContact OE1-NH1 3.12Å |
| 80 | L | 80.6 | Confident | 80 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | trans | -98.9 | 144.5 | 173.6 | -61.9 | 174.4 | 0 | 0 | 0 | 109.3 | L75 L78 P84 W314 Y378 | L75-L80 CarbonylContact C-O 3.53Å; L75-L80 HydrophobicContact CD2-CB 3.77Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 PolarHBondContact O-N 2.89Å; L78-L80 VanDerWaalsContact C-N 3.28Å; L78-L80 HydrophobicContact CB-CD1 4.08Å; L78-L80 HydrophobicContact CB-CG 4.08Å; L78-L80 HydrophobicContact CD1-CD1 4.32Å; L80-P84 HydrophobicContact CD1-CG 4.26Å; L80-W314 HydrophobicContact CD1-CH2 3.8Å; L80-W314 HydrophobicContact CD1-CZ3 3.59Å; L80-Y378 HydrophobicContact CD1-CD2 4.41Å; L80-Y378 HydrophobicContact CD1-CE2 4.06Å | ||
| 81 | R | 83.8 | Confident | 78.8 | Confident | 249 Ų | 249 | 83.1 Ų | 83.1 | 94% | 0.94 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -81.8 | -40 | 177.7 | -69 | -177 | 177.9 | -177.1 | 0.1 | 111.8 | ||
| 82 | E | 87 | Confident | 77.4 | Confident | 143 Ų | 143 | 90 Ų | 90 | 67% | 0.668 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -143.4 | 171.6 | 179.2 | 61.2 | -173.1 | 167.8 | 0 | 0 | 109.6 | L75 | L75-E82 WeakPolarHBondContact CD2-O 3.29Š|
| 83 | R | 85.3 | Confident | 75.9 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | trans | -67.8 | 134.1 | 175.6 | 163.3 | 175.6 | 164.7 | -171.5 | -4.9 | 109.6 | G310 D313 W314 | R83-G310 VanDerWaalsContact CZ-O 3.3Å; R83-G310 PolarHBondContact NH1-O 3.48Å; R83-G310 PolarHBondContact NH2-O 2.88Å; R83-D313 IonicContact CZ-OD1 3.96Å; R83-D313 VanDerWaalsContact CZ-OD1 3.27Å; R83-D313 IonicContact CZ-OD2 3.79Å; R83-D313 IonicContact NE-OD1 3.39Å; R83-D313 IonicContact NE-OD2 2.83Å; R83-D313 PolarHBondContact NE-OD2 3.38Å; R83-D313 IonicContact NH1-OD1 3.8Å; R83-D313 IonicContact NH2-OD1 3.83Å; R83-D313 PolarHBondContact NH2-OD1 2.81Å; R83-D313 IonicContact NH2-OD2 2.93Å; R83-D313 PolarHBondContact NH2-OD2 2.99Å; R83-W314 HydrophobicContact CG-CD2 4.45Å; R83-W314 HydrophobicContact CG-CG 4.24Å | ||
| 84 | P | 83.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.013 | 43% | 0.434 | C | S | . | . | trans | -58.7 | 136.7 | 173.2 | -24.7 | 34.2 | 0 | 0 | 0 | 112.3 | L80 I86 W314 F379 D381 | L80-P84 HydrophobicContact CD1-CG 4.26Å; P84-I86 PolarHBondContact O-N 3.37Å; P84-W314 HydrophobicContact CG-CD2 4.42Å; P84-W314 HydrophobicContact CG-CE3 3.92Å; P84-W314 HydrophobicContact CG-CZ3 4.26Å; P84-F379 WeakPolarHBondContact CG-O 3.1Å; P84-D381 WeakPolarHBondContact CA-OD1 3.45Å; P84-D381 WeakPolarHBondContact CB-OD1 3.24Å; P84-D381 WeakPolarHBondContact CG-OD1 3.25Å | ||
| 85 | N | 79.7 | Confident | 73.3 | Confident | 125 Ų | 125 | 86.5 Ų | 86.5 | 67% | 0.668 | 44% | 0.441 | S | S | * | . | trans | -85.3 | 94.5 | 179.5 | -176.2 | 8.8 | 0 | 0 | 0 | 110.8 | T87 Y383 | N85-T87 PolarHBondContact O-N 3.01Å; N85-Y383 PolarHBondContact O-OH 2.7Å | ||
| 86 | I | 71.6 | Confident | 71.9 | Confident | 33 Ų | 33 | 88 Ų | 88 | 17% | 0.169 | 45% | 0.451 | C | S | . | . | trans | -86.4 | 95.4 | 178.1 | -53.9 | -168.6 | 0 | 0 | 0 | 110.4 | P84 D313 W314 F379 Y383 | P84-I86 PolarHBondContact O-N 3.37Å; I86-D313 WeakPolarHBondContact CD1-O 3.36Å; I86-W314 HydrophobicContact CD1-CB 3.28Å; I86-W314 HydrophobicContact CG1-CB 3.96Å; I86-F379 HydrophobicContact CD1-CB 3.7Å; I86-F379 HydrophobicContact CD1-CD2 3.36Å; I86-F379 HydrophobicContact CD1-CE2 4.15Å; I86-F379 HydrophobicContact CD1-CG 3.73Å; I86-Y383 HydrophobicContact CB-CE1 4.48Å; I86-Y383 HydrophobicContact CG2-CE1 4.19Å | ||
| 87 | T | 62.7 | Low | 70.5 | Confident | 76 Ų | 76 | 88 Ų | 88 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | trans | -80.1 | -22.9 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | N85 Y383 | N85-T87 PolarHBondContact O-N 3.01Å; T87-Y383 PolarHBondContact N-OH 3.32Å; T87-Y383 PolarHBondContact OG1-OH 3.49Å | ||
| 88 | H | 59.8 | Low | 69.2 | Low | 144 Ų | 144 | 86 Ų | 86 | 67% | 0.667 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -135.8 | 124.8 | 179.9 | -63.6 | -58.8 | 0 | 0 | 0 | 111.6 | V90 | H88-V90 PolarHBondContact O-N 2.88Š|
| 89 | P | 58.3 | Low | 68.4 | Low | 119 Ų | 119 | 86 Ų | 86 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 127.7 | 176.9 | 27 | -32.6 | 0 | 0 | 0 | 110.3 | ||
| 90 | V | 58 | Low | 67.3 | Low | 39 Ų | 39 | 88.6 Ų | 88.6 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 131.1 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | H88 R92 A94 M95 F379 | H88-V90 PolarHBondContact O-N 2.88Å; V90-R92 PolarHBondContact O-N 3.48Å; V90-A94 HydrophobicContact CG1-CB 4.05Å; V90-M95 HydrophobicContact CB-CE 4.42Å; V90-F379 HydrophobicContact CB-CE1 4.26Å; V90-F379 HydrophobicContact CB-CZ 3.98Å; V90-F379 HydrophobicContact CG2-CD1 4.48Å; V90-F379 HydrophobicContact CG2-CE1 3.47Å; V90-F379 VanDerWaalsContact CG2-CE1 3.47Å; V90-F379 HydrophobicContact CG2-CZ 3.58Å |
| 91 | P | 60.5 | Low | 66.4 | Low | 91 Ų | 91 | 95.4 Ų | 95.4 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 130.2 | 179.1 | -26.2 | 33.6 | 0 | 0 | 0 | 111.5 | A93 A94 M95 | P91-A93 PolarHBondContact O-N 3.25Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.21Å; P91-M95 PolarHBondContact O-N 2.85Å |
| 92 | R | 62.1 | Low | 65 | Low | 189 Ų | 189 | 87.2 Ų | 87.2 | 71% | 0.713 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -49.6 | -36.4 | -176.3 | -71.3 | -174.1 | 179.3 | -172.5 | -0.9 | 113.2 | V90 M95 V96 | V90-R92 PolarHBondContact O-N 3.48Å; R92-M95 PolarHBondContact O-N 2.99Å; R92-V96 WeakPolarHBondContact O-CG2 3.34Å; R92-V96 PolarHBondContact O-N 3.1Å |
| 93 | A | 57.3 | Low | 63.8 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | P91 T97 | P91-A93 PolarHBondContact O-N 3.25Å; A93-T97 PolarHBondContact O-N 3.06Å; A93-T97 PolarHBondContact O-OG1 2.73Å |
| 94 | A | 59.1 | Low | 62.4 | Low | 52 Ų | 52 | 83.8 Ų | 83.8 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V90 P91 T97 A98 | V90-A94 HydrophobicContact CG1-CB 4.05Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.21Å; A94-T97 PolarHBondContact O-N 2.69Å; A94-A98 PolarHBondContact O-N 2.95Å |
| 95 | M | 61.9 | Low | 61.1 | Low | 33 Ų | 33 | 84.5 Ų | 84.5 | 16% | 0.163 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.3 | -167.7 | -177.1 | -66.4 | 0 | 0 | 112.1 | V90 P91 R92 T97 A98 L99 I316 F379 I385 | V90-M95 HydrophobicContact CB-CE 4.42Å; P91-M95 PolarHBondContact O-N 2.85Å; R92-M95 PolarHBondContact O-N 2.99Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 2.84Å; M95-A98 PolarHBondContact O-N 3.29Å; M95-L99 HydrophobicContact CG-CD1 3.92Å; M95-L99 WeakPolarHBondContact O-CB 3.47Å; M95-L99 WeakPolarHBondContact O-CD1 3.5Å; M95-L99 VanDerWaalsContact O-CG 3.24Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 2.88Å; M95-I316 HydrophobicContact SD-CG2 4.2Å; M95-F379 HydrophobicContact CE-CZ 4.1Å; M95-I385 HydrophobicContact CG-CD1 4.5Å |
| 96 | V | 60.6 | Low | 60.1 | Low | 52 Ų | 52 | 85.9 Ų | 85.9 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | R92 R100 L107 | R92-V96 WeakPolarHBondContact O-CG2 3.34Å; R92-V96 PolarHBondContact O-N 3.1Å; V96-R100 WeakPolarHBondContact O-CB 3.21Å; V96-R100 PolarHBondContact O-N 2.79Å; V96-L107 HydrophobicContact CB-CD1 4.08Å; V96-L107 HydrophobicContact CG1-CD1 4.37Å; V96-L107 HydrophobicContact CG2-CD1 3.54Å; V96-L107 HydrophobicContact CG2-CD2 3.68Å; V96-L107 HydrophobicContact CG2-CG 4.13Å |
| 97 | T | 59.1 | Low | 59.4 | Low | 86 Ų | 86 | 87.1 Ų | 87.1 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | -179 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | A93 A94 M95 R100 K101 | A93-T97 PolarHBondContact O-N 3.06Å; A93-T97 PolarHBondContact O-OG1 2.73Å; A94-T97 PolarHBondContact O-N 2.69Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 2.84Å; T97-R100 PolarHBondContact O-N 3.26Å; T97-K101 WeakPolarHBondContact O-CB 3.4Å; T97-K101 VanDerWaalsContact O-CG 3.29Å; T97-K101 WeakPolarHBondContact O-CG 3.39Å; T97-K101 PolarHBondContact O-N 2.88Å |
| 98 | A | 57.7 | Low | 59.2 | Low | 29 Ų | 29 | 90.1 Ų | 90.1 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A94 M95 R100 K101 L102 I385 | A94-A98 PolarHBondContact O-N 2.95Å; M95-A98 PolarHBondContact O-N 3.29Å; A98-R100 PolarHBondContact O-N 3.22Å; A98-K101 PolarHBondContact O-N 2.75Å; A98-K101 VanDerWaalsContact O-N 3.17Å; A98-L102 WeakPolarHBondContact O-CB 3.18Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.86Å; A98-I385 HydrophobicContact CB-CD1 3.89Å |
| 99 | L | 62.9 | Low | 58.8 | Low | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.005 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.5 | -76.8 | 166.3 | 0 | 0 | 0 | 112.8 | M95 L102 H103 A104 L107 V113 L377 | M95-L99 HydrophobicContact CG-CD1 3.92Å; M95-L99 WeakPolarHBondContact O-CB 3.47Å; M95-L99 WeakPolarHBondContact O-CD1 3.5Å; M95-L99 VanDerWaalsContact O-CG 3.24Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 2.84Å; L99-H103 PolarHBondContact O-N 2.79Å; L99-A104 HydrophobicContact CD2-CB 4.15Å; L99-A104 PolarHBondContact O-N 2.88Å; L99-L107 HydrophobicContact CD1-CD1 3.47Å; L99-L107 VanDerWaalsContact CD1-CD1 3.47Å; L99-V113 HydrophobicContact CD1-CB 4.32Å; L99-V113 HydrophobicContact CD1-CG1 3.61Å; L99-V113 HydrophobicContact CD1-CG2 3.66Å; L99-V113 HydrophobicContact CD2-CG1 3.96Å; L99-V113 HydrophobicContact CG-CG1 4.44Å; L99-L377 HydrophobicContact CD2-CD2 3.27Å; L99-L377 HydrophobicContact CG-CD2 4.44Å |
| 100 | R | 62.8 | Low | 58.8 | Low | 199 Ų | 199 | 92 Ų | 92 | 75% | 0.751 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 175.9 | -173.8 | -177.6 | -83 | 173.3 | -5.5 | 111.7 | V96 T97 A98 | V96-R100 WeakPolarHBondContact O-CB 3.21Å; V96-R100 PolarHBondContact O-N 2.79Å; T97-R100 PolarHBondContact O-N 3.26Å; A98-R100 PolarHBondContact O-N 3.22Å |
| 101 | K | 60.9 | Low | 58.8 | Low | 169 Ų | 169 | 91.6 Ų | 91.6 | 74% | 0.735 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.8 | -32.8 | 178.3 | -74.3 | -72.3 | -174.7 | 177.2 | 0 | 113.1 | T97 A98 H103 | T97-K101 WeakPolarHBondContact O-CB 3.4Å; T97-K101 VanDerWaalsContact O-CG 3.29Å; T97-K101 WeakPolarHBondContact O-CG 3.39Å; T97-K101 PolarHBondContact O-N 2.88Å; A98-K101 PolarHBondContact O-N 2.75Å; A98-K101 VanDerWaalsContact O-N 3.17Å; K101-H103 VanDerWaalsContact C-N 3.29Å; K101-H103 PolarHBondContact O-N 3.35Å |
| 102 | L | 54.9 | Low | 58.8 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1 | 178.6 | -70.1 | 168.2 | 0 | 0 | 0 | 113.5 | A98 L99 A104 I385 | A98-L102 WeakPolarHBondContact O-CB 3.18Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.86Å; L99-L102 PolarHBondContact O-N 2.84Å; L102-A104 HydrophobicContact CB-CB 3.59Å; L102-A104 PolarHBondContact O-N 3.27Å; L102-I385 HydrophobicContact CD1-CG2 4.19Å |
| 103 | H | 62.2 | Low | 58.7 | Low | 170 Ų | 170 | 87.2 Ų | 87.2 | 79% | 0.787 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 32.1 | -169.7 | -64.4 | -112.2 | 0 | 0 | 0 | 111.7 | L99 K101 | L99-H103 PolarHBondContact O-N 2.79Å; K101-H103 VanDerWaalsContact C-N 3.29Å; K101-H103 PolarHBondContact O-N 3.35Å |
| 104 | A | 54.5 | Low | 58.6 | Low | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -106.5 | 7.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113 | L99 L102 I115 L377 K387 | L99-A104 HydrophobicContact CD2-CB 4.15Å; L99-A104 PolarHBondContact O-N 2.88Å; L102-A104 HydrophobicContact CB-CB 3.59Å; L102-A104 PolarHBondContact O-N 3.27Å; A104-I115 WeakPolarHBondContact O-CB 3.45Å; A104-I115 WeakPolarHBondContact O-CD1 3.49Å; A104-I115 WeakPolarHBondContact O-CG1 3.38Å; A104-I115 WeakPolarHBondContact O-CG2 3.14Å; A104-L377 HydrophobicContact CB-CD1 4.5Å; A104-K387 HydrophobicContact CB-CD 3.97Å | ||
| 105 | G | 55.4 | Low | 58.5 | Low | 17 Ų | 17 | 85.3 Ų | 85.3 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | trans | 160.2 | 165.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E114 | G105-E114 CarbonylContact C-O 3.59Å; G105-E114 WeakPolarHBondContact CA-O 3.48Å | ||
| 106 | K | 59.2 | Low | 57.9 | Low | 155 Ų | 155 | 89 Ų | 89 | 67% | 0.674 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.2 | 168.8 | -69.7 | -178.8 | 179.3 | 176.7 | 0 | 108.4 | E114 | K106-E114 PolarHBondContact N-O 2.72Å; K106-E114 PolarHBondContact O-N 2.9Å; K106-E114 VanDerWaalsContact O-O 3.09Å |
| 107 | L | 56.7 | Low | 57.4 | Low | 59 Ų | 59 | 89.9 Ų | 89.9 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133 | 168.4 | -88 | 95.3 | 0 | 0 | 0 | 110.4 | V96 L99 V113 | V96-L107 HydrophobicContact CB-CD1 4.08Å; V96-L107 HydrophobicContact CG1-CD1 4.37Å; V96-L107 HydrophobicContact CG2-CD1 3.54Å; V96-L107 HydrophobicContact CG2-CD2 3.68Å; V96-L107 HydrophobicContact CG2-CG 4.13Å; L99-L107 HydrophobicContact CD1-CD1 3.47Å; L99-L107 VanDerWaalsContact CD1-CD1 3.47Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CD2-CG2 4.28Å; L107-V113 HydrophobicContact CG-CG2 3.88Å |
| 108 | R | 59.8 | Low | 57.1 | Low | 138 Ų | 138 | 86.5 Ų | 86.5 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | trans | -79.3 | 159.4 | 166 | -78.9 | -171.4 | 143.7 | 173 | -13.9 | 110.8 | D110 G111 R112 E114 | R108-D110 WeakPolarHBondContact CB-OD1 2.99Å; R108-D110 PolarHBondContact O-N 3.08Å; R108-G111 PolarHBondContact O-N 2.7Å; R108-G111 VanDerWaalsContact O-N 3.07Å; R108-R112 PolarHBondContact N-O 3.05Å; R108-E114 WeakPolarHBondContact CD-OE1 3.39Å; R108-E114 WeakPolarHBondContact CD-OE2 3.31Å; R108-E114 HydrophobicContact CG-CG 4.14Å; R108-E114 IonicContact CZ-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 3Å; R108-E114 VanDerWaalsContact NE-CD 3.27Å; R108-E114 IonicContact NE-OE1 2.78Å; R108-E114 PolarHBondContact NE-OE1 3.39Å; R108-E114 IonicContact NE-OE2 3.53Å; R108-E114 PolarHBondContact NE-OE2 3.22Å; R108-E114 IonicContact NH1-OE1 3.47Å; R108-E114 PolarHBondContact NH1-OE1 3.46Å; R108-E114 IonicContact NH2-OE1 3.07Å | ||
| 109 | E | 51.5 | Low | 56.7 | Low | 213 Ų | 213 | 91 Ų | 91 | 100% | 0.995 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.3 | 179.3 | -75 | -173.2 | 147.7 | 0 | 0 | 113.5 | G111 | E109-G111 PolarHBondContact O-N 2.62Š|
| 110 | D | 58.3 | Low | 56 | Low | 91 Ų | 91 | 91 Ų | 91 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -2.5 | 175.5 | 67.5 | -9.5 | 0 | 0 | 0 | 113.8 | R108 R112 | R108-D110 WeakPolarHBondContact CB-OD1 2.99Å; R108-D110 PolarHBondContact O-N 3.08Å; D110-R112 WeakPolarHBondContact OD1-CB 3.04Å; D110-R112 PolarHBondContact OD1-N 3.42Å; D110-R112 VanDerWaalsContact OD2-CD 3.31Å; D110-R112 WeakPolarHBondContact OD2-CD 3.18Å; D110-R112 WeakPolarHBondContact OD2-CG 3.41Å; D110-R112 IonicContact OD2-NE 2.83Å |
| 111 | G | 57.6 | Low | 55.1 | Low | 30 Ų | 30 | 86.7 Ų | 86.7 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 84.7 | 6.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R108 E109 | R108-G111 PolarHBondContact O-N 2.7Å; R108-G111 VanDerWaalsContact O-N 3.07Å; E109-G111 PolarHBondContact O-N 2.62Å |
| 112 | R | 59.5 | Low | 54.1 | Low | 158 Ų | 158 | 80.6 Ų | 80.6 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | trans | -83.8 | 139.1 | 172.1 | -63.6 | -175.6 | -179.5 | 177.8 | 3 | 110.7 | R108 D110 | R108-R112 PolarHBondContact N-O 3.05Å; D110-R112 WeakPolarHBondContact OD1-CB 3.04Å; D110-R112 PolarHBondContact OD1-N 3.42Å; D110-R112 VanDerWaalsContact OD2-CD 3.31Å; D110-R112 WeakPolarHBondContact OD2-CD 3.18Å; D110-R112 WeakPolarHBondContact OD2-CG 3.41Å; D110-R112 IonicContact OD2-NE 2.83Å | ||
| 113 | V | 60 | Low | 53.4 | Low | 29 Ų | 29 | 82.3 Ų | 82.3 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.1 | 176 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | L99 L107 I115 I316 | L99-V113 HydrophobicContact CD1-CB 4.32Å; L99-V113 HydrophobicContact CD1-CG1 3.61Å; L99-V113 HydrophobicContact CD1-CG2 3.66Å; L99-V113 HydrophobicContact CD2-CG1 3.96Å; L99-V113 HydrophobicContact CG-CG1 4.44Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CD2-CG2 4.28Å; L107-V113 HydrophobicContact CG-CG2 3.88Å; V113-I115 HydrophobicContact CG1-CG1 4.11Å; V113-I316 HydrophobicContact CG2-CG2 4.27Å |
| 114 | E | 56.3 | Low | 52.2 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.8 | 172.4 | -74.6 | -172.3 | 162 | 0 | 0 | 110.1 | G105 K106 R108 | G105-E114 CarbonylContact C-O 3.59Å; G105-E114 WeakPolarHBondContact CA-O 3.48Å; K106-E114 PolarHBondContact N-O 2.72Å; K106-E114 PolarHBondContact O-N 2.9Å; K106-E114 VanDerWaalsContact O-O 3.09Å; R108-E114 WeakPolarHBondContact CD-OE1 3.39Å; R108-E114 WeakPolarHBondContact CD-OE2 3.31Å; R108-E114 HydrophobicContact CG-CG 4.14Å; R108-E114 IonicContact CZ-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 3Å; R108-E114 VanDerWaalsContact NE-CD 3.27Å; R108-E114 IonicContact NE-OE1 2.78Å; R108-E114 PolarHBondContact NE-OE1 3.39Å; R108-E114 IonicContact NE-OE2 3.53Å; R108-E114 PolarHBondContact NE-OE2 3.22Å; R108-E114 IonicContact NH1-OE1 3.47Å; R108-E114 PolarHBondContact NH1-OE1 3.46Å; R108-E114 IonicContact NH2-OE1 3.07Å |
| 115 | I | 56.8 | Low | 51.6 | Low | 14 Ų | 14 | 82.6 Ų | 82.6 | 7% | 0.072 | 43% | 0.426 | C | S | . | . | trans | -94.1 | 126.2 | 174.9 | -47.9 | -172.3 | 0 | 0 | 0 | 107.3 | A104 V113 S117 L118 A317 L377 | A104-I115 WeakPolarHBondContact O-CB 3.45Å; A104-I115 WeakPolarHBondContact O-CD1 3.49Å; A104-I115 WeakPolarHBondContact O-CG1 3.38Å; A104-I115 WeakPolarHBondContact O-CG2 3.14Å; V113-I115 HydrophobicContact CG1-CG1 4.11Å; I115-S117 PolarHBondContact O-N 2.95Å; I115-L118 HydrophobicContact CB-CB 3.75Å; I115-L118 HydrophobicContact CB-CD1 3.82Å; I115-L118 HydrophobicContact CB-CG 4.44Å; I115-L118 HydrophobicContact CD1-CD1 3.7Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 HydrophobicContact CG2-CB 4.21Å; I115-L118 HydrophobicContact CG2-CD1 3.77Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-A317 HydrophobicContact CD1-CB 3.39Å; I115-A317 HydrophobicContact CG1-CB 3.95Å; I115-L377 HydrophobicContact CD1-CB 4.1Å; I115-L377 HydrophobicContact CD1-CD2 4.12Å | ||
| 116 | P | 49.7 | Very low | 50.6 | Low | 110 Ų | 110 | 88.8 Ų | 88.8 | 71% | 0.714 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 10.4 | -172.9 | -25.9 | 33.1 | 0 | 0 | 0 | 117.9 | ||
| 117 | S | 50 | Low | 49.8 | Very low | 71 Ų | 71 | 87.1 Ų | 87.1 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 19 | -174.3 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | I115 | I115-S117 PolarHBondContact O-N 2.95Š|
| 118 | L | 51.5 | Low | 49.1 | Very low | 14 Ų | 14 | 89.7 Ų | 89.7 | 7% | 0.073 | 47% | 0.466 | C | S | . | . | trans | -144.7 | 38.4 | -154.8 | -112.4 | 167.8 | 0 | 0 | 0 | 115.5 | I115 G120 P318 M374 S375 | I115-L118 HydrophobicContact CB-CB 3.75Å; I115-L118 HydrophobicContact CB-CD1 3.82Å; I115-L118 HydrophobicContact CB-CG 4.44Å; I115-L118 HydrophobicContact CD1-CD1 3.7Å; I115-L118 HydrophobicContact CG1-CD1 4.24Å; I115-L118 HydrophobicContact CG2-CB 4.21Å; I115-L118 HydrophobicContact CG2-CD1 3.77Å; I115-L118 PolarHBondContact O-N 3.49Å; L118-G120 PolarHBondContact O-N 2.86Å; L118-G120 VanDerWaalsContact O-N 3.12Å; L118-P318 HydrophobicContact CD2-CB 3.89Å; L118-P318 HydrophobicContact CD2-CG 4.17Å; L118-P318 WeakPolarHBondContact O-CB 3.48Å; L118-M374 HydrophobicContact CD2-CE 3.61Å; L118-S375 WeakPolarHBondContact CD2-O 3.33Å | ||
| 119 | D | 51.2 | Low | 48.6 | Very low | 125 Ų | 125 | 87.1 Ų | 87.1 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -79.7 | 21.8 | 177.1 | -75.8 | -30.6 | 0 | 0 | 0 | 114.5 | H121 | D119-H121 PolarHBondContact O-N 3.04Å; D119-H121 PolarHBondContact O-ND1 3.12Å |
| 120 | G | 46.8 | Very low | 48.7 | Very low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 64.3 | -5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L118 G320 Y321 F322 | L118-G120 PolarHBondContact O-N 2.86Å; L118-G120 VanDerWaalsContact O-N 3.12Å; G120-G320 VanDerWaalsContact CA-O 3.29Å; G120-G320 WeakPolarHBondContact CA-O 3.44Å; G120-Y321 WeakPolarHBondContact O-CA 3.3Å; G120-F322 WeakPolarHBondContact O-CD2 3.38Å; G120-F322 PolarHBondContact O-N 2.66Å |
| 121 | H | 44.7 | Very low | 48.8 | Very low | 108 Ų | 108 | 79.7 Ų | 79.7 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -64.7 | 152.5 | 161.8 | -70.6 | 51 | 0 | 0 | 0 | 106.8 | D119 M123 | D119-H121 PolarHBondContact O-N 3.04Å; D119-H121 PolarHBondContact O-ND1 3.12Å; H121-M123 PolarHBondContact O-N 3.45Å |
| 122 | P | 40.4 | Very low | 49.4 | Very low | 42 Ų | 42 | 79.6 Ų | 79.6 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | trans | -44.1 | 149.5 | 156.7 | 23.9 | -33.1 | 0 | 0 | 0 | 106.8 | S124 | P122-S124 WeakPolarHBondContact O-CA 3.48Å; P122-S124 PolarHBondContact O-N 3.3Å | ||
| 123 | M | 39.8 | Very low | 50.4 | Low | 113 Ų | 113 | 77.2 Ų | 77.2 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -43.1 | 101.1 | 157.7 | -79.5 | -67 | -60.3 | 0 | 0 | 105 | H121 N125 | H121-M123 PolarHBondContact O-N 3.45Å; M123-N125 PolarHBondContact O-N 3.18Å |
| 124 | S | 36.1 | Very low | 51.5 | Low | 42 Ų | 42 | 77.1 Ų | 77.1 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | trans | -70.1 | 126.4 | -156.6 | 55.3 | 0 | 0 | 0 | 0 | 102.1 | P122 E126 | P122-S124 WeakPolarHBondContact O-CA 3.48Å; P122-S124 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact O-N 2.78Å; S124-E126 WeakPolarHBondContact OG-CB 3.33Å; S124-E126 PolarHBondContact OG-OE2 2.83Å | ||
| 125 | N | 42.5 | Very low | 52.8 | Low | 134 Ų | 134 | 78.2 Ų | 78.2 | 72% | 0.717 | 43% | 0.425 | S | S | * | . | trans | -64.4 | 37.7 | 151.8 | -84.7 | -16.6 | 0 | 0 | 0 | 109.3 | M123 V127 | M123-N125 PolarHBondContact O-N 3.18Å; N125-V127 PolarHBondContact O-N 3.15Å | ||
| 126 | E | 35.3 | Very low | 54.1 | Low | 148 Ų | 148 | 78 Ų | 78 | 69% | 0.692 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -68.8 | 79.1 | 147 | -73.1 | 176.8 | 138.7 | 0 | 0 | 105.9 | S124 L128 | S124-E126 PolarHBondContact O-N 2.78Å; S124-E126 WeakPolarHBondContact OG-CB 3.33Å; S124-E126 PolarHBondContact OG-OE2 2.83Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 2.98Å |
| 127 | V | 41.8 | Very low | 55.9 | Low | 120 Ų | 120 | 77.8 Ų | 77.8 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 52 | 48.5 | 155 | -158.4 | 0 | 0 | 0 | 0 | 113.4 | N125 E129 | N125-V127 PolarHBondContact O-N 3.15Å; V127-E129 HydrophobicContact CG1-CG 4.02Å; V127-E129 PolarHBondContact O-N 3.07Å |
| 128 | L | 42.5 | Very low | 57.7 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 59% | 0.592 | 39% | 0.389 | S | S | * | . | trans | -75.5 | 87.1 | 130.3 | -82.9 | 153.5 | 0 | 0 | 0 | 104 | E126 E130 | E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 2.98Å; L128-E130 PolarHBondContact O-N 3.09Å; L128-E130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | E | 48.1 | Very low | 59.3 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | trans | -33.9 | 124.6 | 145.6 | -72.1 | -177.1 | 146 | 0 | 0 | 105.3 | V127 S131 R275 | V127-E129 HydrophobicContact CG1-CG 4.02Å; V127-E129 PolarHBondContact O-N 3.07Å; E129-S131 WeakPolarHBondContact O-CA 3.39Å; E129-S131 VanDerWaalsContact O-CB 3.24Å; E129-S131 WeakPolarHBondContact O-CB 3.39Å; E129-S131 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-OG 3.19Å; E129-R275 HydrophobicContact CB-CB 4.12Å; E129-R275 VanDerWaalsContact OE1-CD 3.28Å; E129-R275 WeakPolarHBondContact OE1-CD 2.93Å; E129-R275 IonicContact OE1-CZ 2.88Å; E129-R275 IonicContact OE1-NE 3.62Å; E129-R275 IonicContact OE1-NH1 3.34Å; E129-R275 PolarHBondContact OE1-NH1 3.02Å; E129-R275 VanDerWaalsContact OE2-CD 3.32Å; E129-R275 WeakPolarHBondContact OE2-CD 3.37Å | ||
| 130 | E | 53.8 | Low | 60.7 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | trans | -52.9 | 86.7 | 177.4 | -75.4 | 172.2 | -166.4 | 0 | 0 | 107.1 | L128 S132 Q276 R284 | L128-E130 PolarHBondContact O-N 3.09Å; L128-E130 VanDerWaalsContact O-N 3.1Å; E130-S132 PolarHBondContact O-N 3.47Å; E130-Q276 HydrophobicContact CB-CB 4.4Å; E130-Q276 PolarHBondContact O-N 3.48Å; E130-Q276 PolarHBondContact OE2-NE2 2.89Å; E130-Q276 PolarHBondContact OE2-OE1 3.48Å; E130-R284 IonicContact OE1-CZ 3.36Å; E130-R284 IonicContact OE1-NH1 2.9Å; E130-R284 PolarHBondContact OE1-NH1 3Å; E130-R284 IonicContact OE1-NH2 3.27Å; E130-R284 PolarHBondContact OE1-NH2 3.1Å; E130-R284 IonicContact OE2-NH2 3.46Å | ||
| 131 | S | 59.6 | Low | 62 | Low | 62 Ų | 62 | 76.8 Ų | 76.8 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 85.7 | -166.1 | 38.7 | 0 | 0 | 0 | 0 | 103.1 | E129 E133 A274 | E129-S131 WeakPolarHBondContact O-CA 3.39Å; E129-S131 VanDerWaalsContact O-CB 3.24Å; E129-S131 WeakPolarHBondContact O-CB 3.39Å; E129-S131 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-OG 3.19Å; S131-E133 PolarHBondContact O-N 3.12Å; S131-A274 CarbonylContact C-O 3.56Å; S131-A274 VanDerWaalsContact CA-O 3.32Å; S131-A274 WeakPolarHBondContact CA-O 3.44Å |
| 132 | S | 71.3 | Confident | 63.1 | Low | 29 Ų | 29 | 79.5 Ų | 79.5 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 121.9 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 107.7 | E130 R273 A274 | E130-S132 PolarHBondContact O-N 3.47Å; S132-R273 WeakPolarHBondContact O-CA 3.32Å; S132-A274 PolarHBondContact N-O 2.96Å; S132-A274 PolarHBondContact O-N 2.78Å |
| 133 | E | 79.4 | Confident | 64.4 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.1 | 167.1 | -168.8 | 160.8 | -134.9 | 0 | 0 | 108 | S131 V271 V272 R273 | S131-E133 PolarHBondContact O-N 3.12Å; E133-V271 HydrophobicContact CG-CG1 3.76Å; E133-V271 WeakPolarHBondContact OE1-CG1 3.17Å; E133-V272 CarbonylContact C-O 3.53Å; E133-V272 WeakPolarHBondContact CA-O 2.93Å; E133-R273 HydrophobicContact CG-CG 4.36Å; E133-R273 IonicContact OE1-CZ 3.48Å; E133-R273 IonicContact OE1-NE 3.13Å; E133-R273 PolarHBondContact OE1-NE 3.14Å; E133-R273 IonicContact OE1-NH2 2.99Å; E133-R273 PolarHBondContact OE1-NH2 3.33Å; E133-R273 VanDerWaalsContact OE1-NH2 3.12Å |
| 134 | I | 83.1 | Confident | 65.8 | Low | 26 Ų | 26 | 81.8 Ų | 81.8 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.4 | -178.8 | -59.2 | 160.3 | 0 | 0 | 0 | 107.6 | I154 L162 F232 V271 V272 | I134-I154 HydrophobicContact CG2-CG2 4.03Å; I134-L162 HydrophobicContact CD1-CD1 3.98Å; I134-F232 HydrophobicContact CD1-CE1 4.35Å; I134-F232 HydrophobicContact CD1-CZ 4.06Å; I134-V271 WeakPolarHBondContact O-CA 3.13Å; I134-V272 HydrophobicContact CB-CB 4.27Å; I134-V272 PolarHBondContact N-O 2.97Å; I134-V272 PolarHBondContact O-N 2.78Å |
| 135 | I | 83.8 | Confident | 67.1 | Low | 95 Ų | 95 | 86.5 Ų | 86.5 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119 | 175.2 | -56.2 | 177.2 | 0 | 0 | 0 | 108.2 | F137 F269 L270 V271 | I135-F137 HydrophobicContact CG2-CE2 4.23Å; I135-F137 HydrophobicContact CG2-CZ 4.19Å; I135-F269 HydrophobicContact CG2-CB 4.15Å; I135-F269 HydrophobicContact CG2-CD2 4.03Å; I135-F269 HydrophobicContact CG2-CG 4.4Å; I135-L270 WeakPolarHBondContact CA-O 3.5Å; I135-V271 HydrophobicContact CG1-CG2 4.49Å |
| 136 | S | 85.8 | Confident | 68.7 | Low | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.063 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.2 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | F152 L153 F269 L270 | S136-F152 WeakPolarHBondContact O-CD1 3.28Å; S136-F152 WeakPolarHBondContact O-CE1 3.5Å; S136-L153 PolarHBondContact OG-O 3.12Å; S136-F269 CarbonylContact O-C 3.39Å; S136-F269 VanDerWaalsContact O-CA 3.24Å; S136-F269 WeakPolarHBondContact O-CA 3.29Å; S136-L270 PolarHBondContact N-O 3.22Å; S136-L270 PolarHBondContact O-N 2.97Å |
| 137 | F | 86.5 | Confident | 70.6 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 47% | 0.465 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 148.7 | 177.9 | -66.6 | -84 | 0 | 0 | 0 | 111 | I135 F269 | I135-F137 HydrophobicContact CG2-CE2 4.23Å; I135-F137 HydrophobicContact CG2-CZ 4.19Å; F137-F269 HydrophobicContact CD1-CB 3.78Å; F137-F269 HydrophobicContact CE1-CB 3.97Å; F137-F269 HydrophobicContact CE1-CG 4.48Å; F137-F269 HydrophobicContact CG-CB 4.46Å |
| 138 | A | 87.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -69.2 | 132.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L150 F152 R267 P268 | A138-L150 HydrophobicContact CB-CB 4.31Å; A138-L150 HydrophobicContact CB-CD1 4.1Å; A138-L150 HydrophobicContact CB-CD2 4.3Å; A138-L150 HydrophobicContact CB-CG 4.48Å; A138-F152 HydrophobicContact CB-CE1 3.72Å; A138-F152 HydrophobicContact CB-CE2 4.24Å; A138-F152 HydrophobicContact CB-CZ 3.57Å; A138-R267 PolarHBondContact O-NE 2.9Å; A138-R267 PolarHBondContact O-NH2 2.86Å; A138-P268 HydrophobicContact CB-CB 3.86Å; A138-P268 HydrophobicContact CB-CG 4.42Å; A138-P268 PolarHBondContact N-O 2.91Å | ||
| 139 | E | 85.8 | Confident | 74.9 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 34% | 0.341 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 163.4 | 171.8 | -69.8 | 177 | -150.1 | 0 | 0 | 110.4 | L150 F151 | E139-L150 CarbonylContact O-C 3.59Å; E139-L150 WeakPolarHBondContact O-CA 3.28Å; E139-F151 HydrophobicContact CB-CD1 4.2Å; E139-F151 HydrophobicContact CB-CD2 4.06Å; E139-F151 HydrophobicContact CB-CE1 3.72Å; E139-F151 HydrophobicContact CB-CE2 3.54Å; E139-F151 HydrophobicContact CB-CG 4.36Å; E139-F151 HydrophobicContact CB-CZ 3.35Å; E139-F151 HydrophobicContact CG-CE2 4.32Å; E139-F151 HydrophobicContact CG-CZ 4.35Å; E139-F151 PolarHBondContact N-O 3Å; E139-F151 PolarHBondContact O-N 3.02Å; E139-F151 VanDerWaalsContact OE2-CE2 3.28Å; E139-F151 WeakPolarHBondContact OE2-CE2 3.4Å; E139-F151 VanDerWaalsContact OE2-CZ 3.29Å; E139-F151 WeakPolarHBondContact OE2-CZ 3.2Å |
| 140 | K | 79.6 | Confident | 76.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | trans | -125.2 | 140.5 | 176.7 | -174.5 | 179.6 | -178.7 | -168.8 | 0 | 109.1 | V144 S146 F151 M259 | K140-V144 VanDerWaalsContact CE-O 3.25Å; K140-V144 WeakPolarHBondContact CE-O 3.35Å; K140-V144 PolarHBondContact NZ-O 3.37Å; K140-S146 WeakPolarHBondContact CE-O 3.44Å; K140-S146 PolarHBondContact NZ-O 3.21Å; K140-S146 VanDerWaalsContact NZ-O 3.13Å; K140-F151 VanDerWaalsContact C-CE1 3.43Å; K140-M259 HydrophobicContact CB-CE 3.68Å; K140-M259 HydrophobicContact CB-SD 3.53Å; K140-M259 VanDerWaalsContact CB-SD 3.53Å; K140-M259 PolarHBondContact N-SD 3.34Å | ||
| 141 | D | 74.9 | Confident | 78.6 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 36% | 0.362 | C | S | . | . | trans | -81.7 | 120.8 | 173.6 | -157.5 | -38.8 | 0 | 0 | 0 | 108.2 | L143 V144 F151 R239 | D141-L143 PolarHBondContact O-N 3Å; D141-L143 VanDerWaalsContact O-N 3.11Å; D141-L143 PolarHBondContact OD1-N 3.42Å; D141-V144 HydrophobicContact CB-CB 4.15Å; D141-V144 HydrophobicContact CB-CG2 3.76Å; D141-V144 PolarHBondContact O-N 2.85Å; D141-F151 HydrophobicContact CB-CD1 4.46Å; D141-F151 HydrophobicContact CB-CE1 4.22Å; D141-R239 IonicContact OD2-CZ 3.96Å; D141-R239 IonicContact OD2-NH1 3.98Å; D141-R239 IonicContact OD2-NH2 3.64Å; D141-R239 PolarHBondContact OD2-NH2 3.16Å | ||
| 142 | D | 68.2 | Low | 80 | Confident | 165 Ų | 165 | 65.4 Ų | 65.4 | 88% | 0.882 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.7 | -178.7 | -71.5 | -31.9 | 0 | 0 | 0 | 112.1 | ||
| 143 | L | 66.8 | Low | 80.7 | Confident | 156 Ų | 156 | 68 Ų | 68 | 82% | 0.817 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.1 | 178.7 | -59.4 | 173.2 | 0 | 0 | 0 | 113.2 | D141 | D141-L143 PolarHBondContact O-N 3Å; D141-L143 VanDerWaalsContact O-N 3.11Å; D141-L143 PolarHBondContact OD1-N 3.42Å |
| 144 | V | 69.3 | Low | 80.9 | Confident | 48 Ų | 48 | 63 Ų | 63 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | trans | -93.4 | 114 | -178 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | K140 D141 S146 | K140-V144 VanDerWaalsContact CE-O 3.25Å; K140-V144 WeakPolarHBondContact CE-O 3.35Å; K140-V144 PolarHBondContact NZ-O 3.37Å; D141-V144 HydrophobicContact CB-CB 4.15Å; D141-V144 HydrophobicContact CB-CG2 3.76Å; D141-V144 PolarHBondContact O-N 2.85Å; V144-S146 VanDerWaalsContact C-N 3.27Å; V144-S146 WeakPolarHBondContact CG1-OG 3.47Å; V144-S146 PolarHBondContact O-N 3.06Å | ||
| 145 | T | 64.2 | Low | 80.5 | Confident | 141 Ų | 141 | 65 Ų | 65 | 87% | 0.865 | 35% | 0.345 | S | S | * | . | trans | -71.1 | -19.3 | -177 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 146 | S | 74.3 | Confident | 79.7 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -70.1 | 137.7 | -179.3 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | K140 V144 S148 S149 | K140-S146 WeakPolarHBondContact CE-O 3.44Å; K140-S146 PolarHBondContact NZ-O 3.21Å; K140-S146 VanDerWaalsContact NZ-O 3.13Å; V144-S146 VanDerWaalsContact C-N 3.27Å; V144-S146 WeakPolarHBondContact CG1-OG 3.47Å; V144-S146 PolarHBondContact O-N 3.06Å; S146-S148 VanDerWaalsContact C-N 3.29Å; S146-S149 WeakPolarHBondContact OG-CB 3.5Å; S146-S149 PolarHBondContact OG-N 2.83Å | ||
| 147 | K | 76.9 | Confident | 78.1 | Confident | 187 Ų | 187 | 70.1 Ų | 70.1 | 81% | 0.813 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -83.5 | -9.4 | 176 | -64.4 | -178.5 | -179 | 177.5 | 0 | 112.6 | ||
| 148 | S | 85.4 | Confident | 76.4 | Confident | 30 Ų | 30 | 68.6 Ų | 68.6 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -98.6 | -15.8 | -176.5 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | S146 D243 V244 | S146-S148 VanDerWaalsContact C-N 3.29Å; S148-D243 VanDerWaalsContact CB-OD1 3.23Å; S148-D243 WeakPolarHBondContact CB-OD1 3.45Å; S148-D243 PolarHBondContact OG-OD1 2.88Å; S148-V244 VanDerWaalsContact CB-O 3.27Å; S148-V244 WeakPolarHBondContact CB-O 3.42Å; S148-V244 PolarHBondContact O-N 2.82Å |
| 149 | S | 88.4 | Confident | 75 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 16% | 0.161 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.4 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | S146 L242 | S146-S149 WeakPolarHBondContact OG-CB 3.5Å; S146-S149 PolarHBondContact OG-N 2.83Å; S149-L242 WeakPolarHBondContact CA-O 3.45Å |
| 150 | L | 89.4 | Confident | 73.6 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.4 | 179.2 | -59.8 | 173.7 | 0 | 0 | 0 | 108.8 | A138 E139 L242 L258 M259 P268 | A138-L150 HydrophobicContact CB-CB 4.31Å; A138-L150 HydrophobicContact CB-CD1 4.1Å; A138-L150 HydrophobicContact CB-CD2 4.3Å; A138-L150 HydrophobicContact CB-CG 4.48Å; E139-L150 CarbonylContact O-C 3.59Å; E139-L150 WeakPolarHBondContact O-CA 3.28Å; L150-L242 PolarHBondContact N-O 3.15Å; L150-L242 PolarHBondContact O-N 2.89Å; L150-L242 VanDerWaalsContact O-O 3.07Å; L150-L258 HydrophobicContact CD1-CB 4.13Å; L150-L258 HydrophobicContact CD1-CD2 4Å; L150-L258 HydrophobicContact CD2-CB 4.38Å; L150-M259 HydrophobicContact CD2-CB 4.44Å; L150-M259 HydrophobicContact CD2-CG 3.64Å; L150-M259 HydrophobicContact CD2-SD 3.72Å; L150-P268 HydrophobicContact CD1-CG 4.21Å |
| 151 | F | 90 | Very high | 73.1 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157.1 | 168.3 | 72.4 | -93 | 0 | 0 | 0 | 111.8 | E139 K140 D141 L153 R239 Q240 N241 | E139-F151 HydrophobicContact CB-CD1 4.2Å; E139-F151 HydrophobicContact CB-CD2 4.06Å; E139-F151 HydrophobicContact CB-CE1 3.72Å; E139-F151 HydrophobicContact CB-CE2 3.54Å; E139-F151 HydrophobicContact CB-CG 4.36Å; E139-F151 HydrophobicContact CB-CZ 3.35Å; E139-F151 HydrophobicContact CG-CE2 4.32Å; E139-F151 HydrophobicContact CG-CZ 4.35Å; E139-F151 PolarHBondContact N-O 3Å; E139-F151 PolarHBondContact O-N 3.02Å; E139-F151 VanDerWaalsContact OE2-CE2 3.28Å; E139-F151 WeakPolarHBondContact OE2-CE2 3.4Å; E139-F151 VanDerWaalsContact OE2-CZ 3.29Å; E139-F151 WeakPolarHBondContact OE2-CZ 3.2Å; K140-F151 VanDerWaalsContact C-CE1 3.43Å; D141-F151 HydrophobicContact CB-CD1 4.46Å; D141-F151 HydrophobicContact CB-CE1 4.22Å; F151-L153 HydrophobicContact CD2-CD2 4.34Å; F151-L153 HydrophobicContact CD2-CG 4.12Å; F151-L153 HydrophobicContact CE2-CD1 4.06Å; F151-L153 HydrophobicContact CE2-CD2 4.22Å; F151-L153 HydrophobicContact CE2-CG 3.81Å; F151-R239 HydrophobicContact CB-CG 4.14Å; F151-R239 HydrophobicContact CD2-CG 4.1Å; F151-R239 HydrophobicContact CG-CG 4.37Å; F151-Q240 CarbonylContact C-O 3.59Å; F151-Q240 VanDerWaalsContact CA-O 3.25Å; F151-Q240 WeakPolarHBondContact CA-O 3.49Å; F151-N241 WeakPolarHBondContact CB-OD1 3.43Å |
| 152 | F | 89.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.7 | 175.9 | -64.1 | -94.7 | 0 | 0 | 0 | 109.1 | S136 A138 I154 L169 R239 Q240 L242 L270 | S136-F152 WeakPolarHBondContact O-CD1 3.28Å; S136-F152 WeakPolarHBondContact O-CE1 3.5Å; A138-F152 HydrophobicContact CB-CE1 3.72Å; A138-F152 HydrophobicContact CB-CE2 4.24Å; A138-F152 HydrophobicContact CB-CZ 3.57Å; F152-I154 HydrophobicContact CB-CG1 4.43Å; F152-L169 HydrophobicContact CE1-CD1 4.32Å; F152-L169 HydrophobicContact CE2-CD1 3.99Å; F152-L169 HydrophobicContact CZ-CD1 3.48Å; F152-L169 VanDerWaalsContact CZ-CD1 3.48Å; F152-R239 WeakPolarHBondContact O-CA 3.45Å; F152-Q240 PolarHBondContact N-O 3.34Å; F152-Q240 PolarHBondContact O-N 3.23Å; F152-L242 HydrophobicContact CD2-CD1 4Å; F152-L242 HydrophobicContact CD2-CG 4.34Å; F152-L242 HydrophobicContact CE2-CD1 3.5Å; F152-L242 VanDerWaalsContact CE2-CD1 3.5Å; F152-L242 HydrophobicContact CE2-CG 4.2Å; F152-L242 HydrophobicContact CZ-CD1 4.49Å; F152-L270 HydrophobicContact CB-CD2 4.33Å; F152-L270 HydrophobicContact CD1-CB 3.65Å; F152-L270 HydrophobicContact CE1-CB 3.79Å; F152-L270 HydrophobicContact CG-CB 4.19Å; F152-L270 HydrophobicContact CG-CD2 4.32Å; F152-L270 HydrophobicContact CZ-CB 4.44Å |
| 153 | L | 86.2 | Confident | 74 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.9 | 167.3 | -64.7 | 174 | 0 | 0 | 0 | 108.1 | S136 F151 S155 R239 | S136-L153 PolarHBondContact OG-O 3.12Å; F151-L153 HydrophobicContact CD2-CD2 4.34Å; F151-L153 HydrophobicContact CD2-CG 4.12Å; F151-L153 HydrophobicContact CE2-CD1 4.06Å; F151-L153 HydrophobicContact CE2-CD2 4.22Å; F151-L153 HydrophobicContact CE2-CG 3.81Å; L153-S155 PolarHBondContact O-N 3.43Å; L153-R239 HydrophobicContact CD2-CB 4.08Å; L153-R239 HydrophobicContact CD2-CG 4.4Å |
| 154 | I | 84.4 | Confident | 74.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | trans | -91.5 | 100.3 | -176 | -45.8 | 174.3 | 0 | 0 | 0 | 109 | I134 F152 V228 F232 R238 Q240 L270 V272 | I134-I154 HydrophobicContact CG2-CG2 4.03Å; F152-I154 HydrophobicContact CB-CG1 4.43Å; I154-V228 HydrophobicContact CD1-CG1 3.74Å; I154-V228 HydrophobicContact CD1-CG2 4.17Å; I154-F232 HydrophobicContact CB-CE2 4.08Å; I154-F232 HydrophobicContact CD1-CE2 4.21Å; I154-F232 HydrophobicContact CG2-CE2 3.54Å; I154-F232 HydrophobicContact CG2-CZ 3.62Å; I154-R238 PolarHBondContact N-O 3.45Å; I154-R238 VanDerWaalsContact N-O 3.13Å; I154-R238 WeakPolarHBondContact O-CD 3.42Å; I154-Q240 HydrophobicContact CD1-CB 4.45Å; I154-L270 HydrophobicContact CD1-CD2 3.69Å; I154-L270 HydrophobicContact CG1-CD2 4.15Å; I154-V272 HydrophobicContact CG2-CG2 4.25Å | ||
| 155 | S | 73.6 | Confident | 75.9 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | trans | -67.5 | 154.1 | 179.8 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | L153 | L153-S155 PolarHBondContact O-N 3.43Š| ||
| 156 | N | 66.1 | Low | 77.1 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 19% | 0.187 | 34% | 0.344 | C | S | . | . | trans | -145.3 | 73.8 | 175.7 | 178.2 | 34.1 | 0 | 0 | 0 | 108.1 | G158 N159 L162 R238 | N156-G158 VanDerWaalsContact C-N 3.29Å; N156-G158 PolarHBondContact O-N 2.78Å; N156-N159 PolarHBondContact ND2-O 2.6Å; N156-N159 WeakPolarHBondContact OD1-CB 3.38Å; N156-N159 PolarHBondContact OD1-O 2.65Å; N156-L162 WeakPolarHBondContact OD1-CD1 3.18Å; N156-R238 VanDerWaalsContact CG-NH1 3.3Å; N156-R238 PolarHBondContact ND2-NH1 2.9Å; N156-R238 PolarHBondContact ND2-NH2 2.84Å | ||
| 157 | E | 52.8 | Low | 78 | Confident | 176 Ų | 176 | 61.4 Ų | 61.4 | 82% | 0.822 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -62.2 | 88.3 | 179.3 | -66.1 | -170.5 | 158.7 | 0 | 0 | 110.3 | N159 | E157-N159 PolarHBondContact O-N 3.07Š|
| 158 | G | 51.6 | Low | 78.9 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 77% | 0.773 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 86.6 | -8.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | N156 | N156-G158 VanDerWaalsContact C-N 3.29Å; N156-G158 PolarHBondContact O-N 2.78Å |
| 159 | N | 57.2 | Low | 79.3 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | trans | -96.6 | 98.3 | -175.3 | -70.8 | -34.6 | 0 | 0 | 0 | 112.9 | N156 E157 L162 | N156-N159 PolarHBondContact ND2-O 2.6Å; N156-N159 WeakPolarHBondContact OD1-CB 3.38Å; N156-N159 PolarHBondContact OD1-O 2.65Å; E157-N159 PolarHBondContact O-N 3.07Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CD2 4.02Å; N159-L162 HydrophobicContact CB-CG 3.92Å | ||
| 160 | Q | 57.8 | Low | 79.6 | Confident | 162 Ų | 162 | 55.2 Ų | 55.2 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 137.7 | 170.4 | -59.1 | -156.6 | -11.3 | 0 | 0 | 110.1 | ||
| 161 | N | 69.3 | Low | 79.8 | Confident | 109 Ų | 109 | 55.1 Ų | 55.1 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 47.1 | 177.7 | -44.2 | -40.3 | 0 | 0 | 0 | 116.6 | A277 | N161-A277 HydrophobicContact CB-CB 4.33Å; N161-A277 VanDerWaalsContact O-CB 3.27Å; N161-A277 WeakPolarHBondContact O-CB 3.35Å; N161-A277 PolarHBondContact O-N 2.84Å |
| 162 | L | 77.3 | Confident | 79.9 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.6 | 167.5 | -69.6 | -179.9 | 0 | 0 | 0 | 111.2 | I134 N156 N159 F232 A274 R275 Q276 | I134-L162 HydrophobicContact CD1-CD1 3.98Å; N156-L162 WeakPolarHBondContact OD1-CD1 3.18Å; N159-L162 HydrophobicContact CB-CD1 4.07Å; N159-L162 HydrophobicContact CB-CD2 4.02Å; N159-L162 HydrophobicContact CB-CG 3.92Å; L162-F232 HydrophobicContact CB-CD1 3.99Å; L162-F232 HydrophobicContact CB-CE1 3.95Å; L162-F232 HydrophobicContact CD1-CE1 4.09Å; L162-A274 HydrophobicContact CB-CB 3.96Å; L162-A274 HydrophobicContact CD1-CB 4.36Å; L162-A274 HydrophobicContact CD2-CB 4.43Å; L162-A274 HydrophobicContact CG-CB 4.49Å; L162-R275 CarbonylContact C-O 3.58Å; L162-Q276 HydrophobicContact CD2-CB 4.41Å |
| 163 | Q | 83.4 | Confident | 80.1 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.6 | 169.4 | -172.1 | 177 | 16.9 | 0 | 0 | 110 | T165 A274 R275 A277 | Q163-T165 PolarHBondContact O-N 3.25Å; Q163-A274 CarbonylContact O-C 3.59Å; Q163-A274 VanDerWaalsContact O-CA 3.26Å; Q163-A274 WeakPolarHBondContact O-CA 3.26Å; Q163-R275 HydrophobicContact CB-CG 4.06Å; Q163-R275 PolarHBondContact N-O 3.23Å; Q163-R275 PolarHBondContact O-N 3.23Å; Q163-R275 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R275 VanDerWaalsContact OE1-NE 3.09Å; Q163-A277 HydrophobicContact CB-CB 4.21Å |
| 164 | V | 87.1 | Confident | 80.3 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 116 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | A167 T225 V228 R229 F232 V272 A274 | V164-A167 HydrophobicContact CG1-CB 4.29Å; V164-T225 HydrophobicContact CG1-CG2 4.33Å; V164-V228 HydrophobicContact CG1-CG1 4.18Å; V164-V228 HydrophobicContact CG2-CG1 4.11Å; V164-R229 HydrophobicContact CB-CG 3.73Å; V164-R229 HydrophobicContact CG1-CG 4.22Å; V164-R229 PolarHBondContact O-NE 3.38Å; V164-F232 HydrophobicContact CG2-CB 3.96Å; V164-F232 HydrophobicContact CG2-CD1 3.76Å; V164-F232 HydrophobicContact CG2-CD2 3.68Å; V164-F232 HydrophobicContact CG2-CE1 4.14Å; V164-F232 HydrophobicContact CG2-CE2 4.06Å; V164-F232 HydrophobicContact CG2-CG 3.51Å; V164-F232 HydrophobicContact CG2-CZ 4.28Å; V164-V272 HydrophobicContact CB-CG1 4.44Å; V164-V272 HydrophobicContact CG1-CG1 3.78Å; V164-V272 HydrophobicContact CG2-CG1 3.93Å; V164-A274 HydrophobicContact CG2-CB 4.33Å |
| 165 | T | 88.4 | Confident | 80.6 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -40.5 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 111 | Q163 T225 R273 R275 | Q163-T165 PolarHBondContact O-N 3.25Å; T165-T225 WeakPolarHBondContact O-CG2 3.49Å; T165-R273 PolarHBondContact N-O 3.11Å; T165-R273 PolarHBondContact OG1-O 3.33Å; T165-R275 HydrophobicContact CG2-CB 4.07Å; T165-R275 HydrophobicContact CG2-CG 3.71Å |
| 166 | Q | 91 | Very high | 81.3 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 137.9 | -178.7 | -172.8 | 177.4 | 18.2 | 0 | 0 | 110.7 | R273 | Q166-R273 HydrophobicContact CB-CB 4.21Å; Q166-R273 PolarHBondContact N-O 3.01Å; Q166-R273 VanDerWaalsContact N-O 3.15Å; Q166-R273 PolarHBondContact O-N 3.02Å |
| 167 | A | 92.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V164 L224 T225 V228 V271 V272 | V164-A167 HydrophobicContact CG1-CB 4.29Å; A167-L224 PolarHBondContact O-N 2.8Å; A167-T225 PolarHBondContact N-OG1 3.42Å; A167-T225 PolarHBondContact O-N 3.25Å; A167-T225 PolarHBondContact O-OG1 3.48Å; A167-V228 HydrophobicContact CB-CB 3.7Å; A167-V228 HydrophobicContact CB-CG1 4.08Å; A167-V228 HydrophobicContact CB-CG2 3.65Å; A167-V271 CarbonylContact C-O 3.56Å; A167-V271 VanDerWaalsContact CA-O 3.32Å; A167-V271 WeakPolarHBondContact CA-O 3.28Å; A167-V272 HydrophobicContact CB-CG2 4.24Å |
| 168 | T | 94.9 | Very high | 83 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.7 | -174.2 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | T221 F222 V271 | T168-T221 HydrophobicContact CG2-CG2 3.73Å; T168-F222 CarbonylContact C-O 3.53Å; T168-F222 WeakPolarHBondContact CA-O 3.35Å; T168-V271 PolarHBondContact N-O 3.25Å; T168-V271 PolarHBondContact O-N 2.89Å |
| 169 | L | 94.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.1 | 170.7 | 173.1 | 70.5 | 0 | 0 | 0 | 110.1 | F152 L171 V194 T221 F222 L224 L242 L270 | F152-L169 HydrophobicContact CE1-CD1 4.32Å; F152-L169 HydrophobicContact CE2-CD1 3.99Å; F152-L169 HydrophobicContact CZ-CD1 3.48Å; F152-L169 VanDerWaalsContact CZ-CD1 3.48Å; L169-L171 HydrophobicContact CD1-CD2 4.28Å; L169-L171 HydrophobicContact CD2-CD1 3.99Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.93Å; L169-L171 HydrophobicContact CG-CD2 4.21Å; L169-L171 HydrophobicContact CG-CG 4.03Å; L169-V194 HydrophobicContact CD2-CG1 4.02Å; L169-V194 HydrophobicContact CD2-CG2 4.34Å; L169-T221 CarbonylContact O-C 3.55Å; L169-T221 VanDerWaalsContact O-CA 3.29Å; L169-T221 WeakPolarHBondContact O-CA 3.39Å; L169-F222 HydrophobicContact CB-CB 4.26Å; L169-F222 HydrophobicContact CD2-CB 4.5Å; L169-F222 PolarHBondContact N-O 2.73Å; L169-F222 PolarHBondContact O-N 3.24Å; L169-L224 HydrophobicContact CB-CD1 3.68Å; L169-L224 HydrophobicContact CB-CG 4.13Å; L169-L224 HydrophobicContact CD2-CD1 4.1Å; L169-L224 HydrophobicContact CG-CD1 4.39Å; L169-L242 HydrophobicContact CD1-CD1 4.27Å; L169-L242 HydrophobicContact CD2-CD1 3.85Å; L169-L270 HydrophobicContact CB-CD1 4.23Å |
| 170 | W | 94.4 | Very high | 83.9 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.3 | 175 | -71.3 | 72.7 | 0 | 0 | 0 | 110.1 | W219 T221 P268 F269 | W170-W219 HydrophobicContact CB-CE3 3.95Å; W170-W219 HydrophobicContact CB-CZ3 4.12Å; W170-W219 HydrophobicContact CE3-CB 3.79Å; W170-W219 HydrophobicContact CE3-CD2 4.36Å; W170-W219 HydrophobicContact CE3-CE3 4.34Å; W170-W219 HydrophobicContact CE3-CG 4.16Å; W170-W219 HydrophobicContact CZ3-CB 3.96Å; W170-W219 HydrophobicContact CZ3-CG 4.48Å; W170-T221 HydrophobicContact CD2-CG2 3.77Å; W170-T221 HydrophobicContact CE3-CG2 4.1Å; W170-T221 HydrophobicContact CG-CG2 4.33Å; W170-T221 HydrophobicContact CH2-CG2 4.04Å; W170-T221 HydrophobicContact CZ2-CG2 3.72Å; W170-T221 HydrophobicContact CZ3-CG2 4.22Å; W170-P268 WeakPolarHBondContact O-CA 3.34Å; W170-F269 HydrophobicContact CB-CD1 4.02Å; W170-F269 HydrophobicContact CB-CD2 4.08Å; W170-F269 HydrophobicContact CB-CE1 3.67Å; W170-F269 HydrophobicContact CB-CE2 3.74Å; W170-F269 HydrophobicContact CB-CG 4.21Å; W170-F269 HydrophobicContact CB-CZ 3.52Å; W170-F269 AromaticContact CD1-CD2 3.99Å; W170-F269 AromaticContact CD1-CE2 3.47Å; W170-F269 VanDerWaalsContact CD1-CE2 3.47Å; W170-F269 AromaticContact CD1-CZ 3.98Å; W170-F269 AromaticContact CD2-CE2 3.87Å; W170-F269 HydrophobicContact CD2-CE2 3.87Å; W170-F269 AromaticContact CD2-CZ 3.63Å; W170-F269 HydrophobicContact CD2-CZ 3.63Å; W170-F269 AromaticContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CG-CD2 4.09Å; W170-F269 HydrophobicContact CG-CE1 4.12Å; W170-F269 AromaticContact CG-CE2 3.42Å; W170-F269 HydrophobicContact CG-CE2 3.42Å; W170-F269 VanDerWaalsContact CG-CE2 3.42Å; W170-F269 AromaticContact CG-CZ 3.43Å; W170-F269 HydrophobicContact CG-CZ 3.43Å; W170-F269 VanDerWaalsContact CG-CZ 3.43Å; W170-F269 PolarHBondContact N-O 2.75Å; W170-F269 AromaticContact NE1-CE2 3.95Å; W170-F269 PolarHBondContact O-N 3.24Å |
| 171 | L | 93.4 | Very high | 84 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.4 | 175.5 | -64.2 | 178.3 | 0 | 0 | 0 | 109.9 | L169 F173 V194 W219 H220 F222 V244 L258 P268 | L169-L171 HydrophobicContact CD1-CD2 4.28Å; L169-L171 HydrophobicContact CD2-CD1 3.99Å; L169-L171 HydrophobicContact CD2-CD2 4.12Å; L169-L171 HydrophobicContact CD2-CG 3.93Å; L169-L171 HydrophobicContact CG-CD2 4.21Å; L169-L171 HydrophobicContact CG-CG 4.03Å; L171-F173 HydrophobicContact CB-CD2 4.47Å; L171-F173 HydrophobicContact CB-CE2 3.64Å; L171-F173 HydrophobicContact CB-CZ 4.04Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å; L171-F173 WeakPolarHBondContact O-CD2 3.43Å; L171-V194 HydrophobicContact CD1-CG2 4.29Å; L171-W219 VanDerWaalsContact C-CE3 3.5Å; L171-H220 PolarHBondContact N-O 2.84Å; L171-H220 PolarHBondContact O-N 2.87Å; L171-F222 HydrophobicContact CB-CD2 4.48Å; L171-F222 HydrophobicContact CB-CE2 4.05Å; L171-F222 HydrophobicContact CD1-CD2 3.95Å; L171-F222 HydrophobicContact CD1-CE2 3.71Å; L171-F222 HydrophobicContact CD1-CZ 4.27Å; L171-F222 HydrophobicContact CG-CD2 4.21Å; L171-F222 HydrophobicContact CG-CE2 4.13Å; L171-V244 HydrophobicContact CD1-CG1 3.82Å; L171-V244 HydrophobicContact CD1-CG2 4.23Å; L171-L258 HydrophobicContact CD2-CD2 4.14Å; L171-P268 HydrophobicContact CD2-CB 3.81Å; L171-P268 HydrophobicContact CD2-CG 3.85Å |
| 172 | Y | 92.8 | Very high | 83.7 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.9 | 175.2 | -172 | -99.4 | 0 | 0 | 0 | 110.7 | K174 S217 G218 W219 V257 H266 | Y172-K174 HydrophobicContact CE1-CB 4.38Å; Y172-S217 VanDerWaalsContact OH-CB 3.28Å; Y172-S217 WeakPolarHBondContact OH-CB 3.29Å; Y172-G218 VanDerWaalsContact CD2-C 3.5Å; Y172-W219 AromaticContact CD2-CD1 3.84Å; Y172-W219 AromaticContact CD2-CD2 3.82Å; Y172-W219 HydrophobicContact CD2-CD2 3.82Å; Y172-W219 AromaticContact CD2-CE2 3.69Å; Y172-W219 HydrophobicContact CD2-CE3 4.48Å; Y172-W219 AromaticContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CZ2 4.26Å; Y172-W219 AromaticContact CD2-NE1 3.68Å; Y172-W219 HydrophobicContact CG-CD2 4.39Å; Y172-W219 HydrophobicContact CG-CZ2 4.47Å; Y172-V257 HydrophobicContact CD1-CB 4.28Å; Y172-V257 HydrophobicContact CD1-CG2 3.78Å; Y172-V257 PolarHBondContact O-N 3.13Å; Y172-H266 HydrophobicContact CD1-CB 3.79Å; Y172-H266 AromaticContact CD1-CD2 3.42Å; Y172-H266 VanDerWaalsContact CD1-CD2 3.42Å; Y172-H266 WeakPolarHBondContact CD1-CD2 3.24Å; Y172-H266 AromaticContact CD1-CG 3.63Å; Y172-H266 AromaticContact CD2-CD2 3.53Å; Y172-H266 HydrophobicContact CE1-CB 4.42Å; Y172-H266 AromaticContact CE1-CD2 3.35Å; Y172-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y172-H266 AromaticContact CE1-CG 3.78Å; Y172-H266 AromaticContact CE1-NE2 3.6Å; Y172-H266 AromaticContact CE2-CD2 3.49Å; Y172-H266 VanDerWaalsContact CE2-CD2 3.49Å; Y172-H266 WeakPolarHBondContact CE2-CD2 3.32Å; Y172-H266 AromaticContact CE2-NE2 3.77Å; Y172-H266 HydrophobicContact CG-CB 3.96Å; Y172-H266 AromaticContact CG-CD2 3.48Å; Y172-H266 VanDerWaalsContact CG-CD2 3.48Å; Y172-H266 AromaticContact CG-CG 3.95Å; Y172-H266 AromaticContact CZ-CD2 3.37Å; Y172-H266 AromaticContact CZ-NE2 3.37Å |
| 173 | F | 92.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.2 | 179.3 | -66.6 | -93.8 | 0 | 0 | 0 | 109.4 | L171 V192 L214 S217 G218 H220 F222 V254 P256 | L171-F173 HydrophobicContact CB-CD2 4.47Å; L171-F173 HydrophobicContact CB-CE2 3.64Å; L171-F173 HydrophobicContact CB-CZ 4.04Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å; L171-F173 WeakPolarHBondContact O-CD2 3.43Å; F173-V192 HydrophobicContact CE1-CG2 3.58Å; F173-V192 HydrophobicContact CZ-CB 4.44Å; F173-V192 HydrophobicContact CZ-CG1 4.12Å; F173-V192 HydrophobicContact CZ-CG2 3.64Å; F173-L214 HydrophobicContact CB-CD2 3.48Å; F173-L214 VanDerWaalsContact CB-CD2 3.48Å; F173-L214 HydrophobicContact CG-CD2 4.34Å; F173-S217 CarbonylContact O-C 3.49Å; F173-S217 WeakPolarHBondContact O-CA 3.45Å; F173-S217 WeakPolarHBondContact O-CB 3.19Å; F173-G218 PolarHBondContact N-O 2.83Å; F173-G218 PolarHBondContact O-N 3.13Å; F173-H220 HydrophobicContact CD2-CB 4.13Å; F173-H220 AromaticContact CD2-CD2 3.77Å; F173-H220 HydrophobicContact CE2-CB 3.91Å; F173-F222 HydrophobicContact CE2-CE2 4.08Å; F173-F222 HydrophobicContact CE2-CZ 4.27Å; F173-F222 HydrophobicContact CZ-CE2 4.23Å; F173-F222 HydrophobicContact CZ-CZ 4.07Å; F173-V254 HydrophobicContact CB-CG1 4.16Å; F173-V254 HydrophobicContact CD1-CG1 4.02Å; F173-P256 HydrophobicContact CD1-CB 4.06Å; F173-P256 HydrophobicContact CE1-CB 3.84Å |
| 174 | K | 91 | Very high | 81.8 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.5 | 178.3 | -169.8 | 172.7 | -176.2 | 171.1 | 0 | 109.5 | Y172 V255 V257 | Y172-K174 HydrophobicContact CE1-CB 4.38Å; K174-V255 PolarHBondContact N-O 2.99Å; K174-V255 PolarHBondContact O-N 3.2Å; K174-V257 HydrophobicContact CB-CG2 4.32Å |
| 175 | L | 90.4 | Very high | 80.6 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.6 | 167.5 | -66.7 | -174.7 | 0 | 0 | 0 | 109.2 | R188 L214 S217 V254 | L175-R188 HydrophobicContact CD2-CG 4.43Å; L175-L214 HydrophobicContact CD1-CB 4.29Å; L175-L214 HydrophobicContact CD2-CB 3.87Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; L175-L214 HydrophobicContact CG-CB 4.35Å; L175-S217 PolarHBondContact N-OG 3.01Å; L175-V254 HydrophobicContact CD2-CG2 3.72Å |
| 176 | L | 87.8 | Confident | 79.8 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -76 | 143.3 | 171.1 | -61.6 | 179 | 0 | 0 | 0 | 109.8 | R188 G253 V255 | L176-R188 PolarHBondContact O-NH1 3.05Å; L176-R188 PolarHBondContact O-NH2 2.97Å; L176-G253 WeakPolarHBondContact CB-O 3.24Å; L176-G253 PolarHBondContact N-O 3.23Å; L176-V255 HydrophobicContact CD1-CG2 3.67Å; L176-V255 HydrophobicContact CD2-CG2 4.16Å; L176-V255 HydrophobicContact CG-CG2 3.88Å |
| 177 | P | 82.4 | Confident | 79.4 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 72% | 0.721 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 140.9 | 170.3 | -22 | 31.9 | 0 | 0 | 0 | 109.9 | A179 | P177-A179 PolarHBondContact O-N 3.32Š|
| 178 | P | 72.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 142.4 | 171.7 | 10.4 | -9.9 | 0 | 0 | 0 | 109.6 | A182 | P178-A182 HydrophobicContact CB-CB 4.09Š|
| 179 | A | 68.4 | Low | 79.1 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 65% | 0.653 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 143.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | P177 G181 A182 | P177-A179 PolarHBondContact O-N 3.32Å; A179-G181 PolarHBondContact O-N 2.89Å; A179-A182 WeakPolarHBondContact O-CB 3.35Å; A179-A182 PolarHBondContact O-N 2.77Å |
| 180 | A | 59 | Low | 79.1 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 94% | 0.942 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 115 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 181 | G | 59 | Low | 79.2 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 92% | 0.918 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | -3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A179 | A179-G181 PolarHBondContact O-N 2.89Š|
| 182 | A | 62.8 | Low | 79.4 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | trans | -86.5 | 133.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P178 A179 | P178-A182 HydrophobicContact CB-CB 4.09Å; A179-A182 WeakPolarHBondContact O-CB 3.35Å; A179-A182 PolarHBondContact O-N 2.77Å | ||
| 183 | E | 61.6 | Low | 79.5 | Confident | 180 Ų | 180 | 73.7 Ų | 73.7 | 84% | 0.841 | 44% | 0.443 | S | S | * | . | trans | -54.8 | 147.3 | 172.3 | -73.7 | -166.9 | 156.2 | 0 | 0 | 111 | R185 | E183-R185 PolarHBondContact O-N 3.5Š| ||
| 184 | V | 60 | Low | 79.6 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 79% | 0.794 | 44% | 0.443 | S | S | * | . | trans | -64.4 | 90.2 | 172 | -178 | 0 | 0 | 0 | 0 | 107.8 | G186 | V184-G186 PolarHBondContact O-N 3.09Š| ||
| 185 | R | 61.2 | Low | 79.7 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 56% | 0.555 | 43% | 0.433 | S | S | * | . | trans | -51.7 | 127.5 | 168.7 | -96.4 | -173.9 | -176.3 | -166.9 | 1.7 | 107.4 | E183 E252 | E183-R185 PolarHBondContact O-N 3.5Å; R185-E252 IonicContact CZ-OE1 3.79Å; R185-E252 IonicContact CZ-OE2 3.91Å; R185-E252 IonicContact NH1-OE1 3.92Å; R185-E252 PolarHBondContact NH1-OE1 2.76Å; R185-E252 IonicContact NH1-OE2 2.67Å; R185-E252 PolarHBondContact NH1-OE2 2.52Å | ||
| 186 | G | 72.7 | Confident | 79.7 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -61 | -113.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V184 R188 | V184-G186 PolarHBondContact O-N 3.09Å; G186-R188 PolarHBondContact O-N 2.92Å |
| 187 | K | 82.1 | Confident | 79.6 | Confident | 104 Ų | 104 | 70 Ų | 70 | 45% | 0.452 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -73.7 | 120.8 | 177 | -64.6 | 179.5 | 178.3 | -174.3 | 0 | 109.8 | E213 R215 | K187-E213 IonicContact NZ-OE2 3.97Å; K187-R215 HydrophobicContact CG-CG 4.01Å |
| 188 | R | 88.8 | Confident | 79.4 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 10% | 0.098 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.9 | 171.4 | -52.8 | -155.3 | -167.6 | 163.1 | -0.6 | 109.6 | L175 L176 G186 E213 L214 E252 G253 V254 | L175-R188 HydrophobicContact CD2-CG 4.43Å; L176-R188 PolarHBondContact O-NH1 3.05Å; L176-R188 PolarHBondContact O-NH2 2.97Å; G186-R188 PolarHBondContact O-N 2.92Å; R188-E213 CarbonylContact O-C 3.5Å; R188-E213 WeakPolarHBondContact O-CA 3.27Å; R188-L214 PolarHBondContact N-O 2.9Å; R188-L214 PolarHBondContact O-N 2.82Å; R188-E252 HydrophobicContact CB-CB 4.32Å; R188-E252 WeakPolarHBondContact CD-O 2.93Å; R188-E252 PolarHBondContact NE-O 2.8Å; R188-E252 PolarHBondContact NH1-O 3.13Å; R188-G253 PolarHBondContact NH1-O 3.27Å; R188-V254 HydrophobicContact CB-CG2 4.31Å |
| 189 | K | 92.8 | Very high | 79.2 | Confident | 127 Ų | 127 | 65.5 Ų | 65.5 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.1 | -177.1 | -53.3 | -165.2 | -173.2 | -156.4 | 0 | 109.9 | V212 E213 | K189-V212 WeakPolarHBondContact CA-O 3.49Å; K189-E213 HydrophobicContact CD-CG 4.24Å; K189-E213 WeakPolarHBondContact CD-OE1 3.23Å; K189-E213 WeakPolarHBondContact CE-OE1 3.47Å; K189-E213 HydrophobicContact CG-CG 4.08Å; K189-E213 IonicContact NZ-OE1 3.12Å; K189-E213 PolarHBondContact NZ-OE1 2.8Å |
| 190 | V | 95 | Very high | 78.9 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.4 | 178.3 | -61 | 0 | 0 | 0 | 0 | 110 | V192 R211 V212 L214 E252 V254 | V190-V192 HydrophobicContact CG2-CG2 4.28Å; V190-R211 WeakPolarHBondContact O-CA 3.39Å; V190-V212 HydrophobicContact CG2-CB 3.99Å; V190-V212 PolarHBondContact N-O 2.76Å; V190-V212 PolarHBondContact O-N 2.91Å; V190-L214 HydrophobicContact CG2-CD1 3.97Å; V190-E252 HydrophobicContact CG1-CB 3.9Å; V190-E252 HydrophobicContact CG1-CG 4.04Å; V190-V254 HydrophobicContact CG1-CB 4.14Å; V190-V254 HydrophobicContact CG1-CG2 3.81Å; V190-V254 HydrophobicContact CG2-CG1 4.48Å |
| 191 | T | 96.9 | Very high | 78.9 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 108.7 | K193 E209 E247 | T191-K193 HydrophobicContact CG2-CG 4.46Å; T191-E209 HydrophobicContact CG2-CG 3.67Å; T191-E209 WeakPolarHBondContact CG2-OE1 3.35Å; T191-E247 PolarHBondContact N-O 2.85Å; T191-E247 VanDerWaalsContact N-O 3.09Å; T191-E247 PolarHBondContact O-N 2.97Å |
| 192 | V | 96.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128 | 179.7 | -177 | 0 | 0 | 0 | 0 | 109 | F173 V190 V194 E209 K210 V212 F222 V244 | F173-V192 HydrophobicContact CE1-CG2 3.58Å; F173-V192 HydrophobicContact CZ-CB 4.44Å; F173-V192 HydrophobicContact CZ-CG1 4.12Å; F173-V192 HydrophobicContact CZ-CG2 3.64Å; V190-V192 HydrophobicContact CG2-CG2 4.28Å; V192-V194 HydrophobicContact CG1-CG2 4.26Å; V192-E209 WeakPolarHBondContact O-CA 3.42Å; V192-K210 PolarHBondContact N-O 3.1Å; V192-K210 PolarHBondContact O-N 2.54Å; V192-V212 HydrophobicContact CB-CG2 4.32Å; V192-V212 HydrophobicContact CG2-CB 4.39Å; V192-V212 HydrophobicContact CG2-CG2 3.71Å; V192-F222 HydrophobicContact CB-CE1 3.73Å; V192-F222 HydrophobicContact CB-CZ 3.76Å; V192-F222 HydrophobicContact CG1-CE1 3.62Å; V192-F222 HydrophobicContact CG1-CZ 3.57Å; V192-F222 HydrophobicContact CG2-CZ 4.25Å; V192-V244 HydrophobicContact CG1-CG1 4.21Å |
| 193 | K | 95.9 | Very high | 78.8 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.1 | -179.4 | -71.6 | -175.7 | 179.2 | 171.8 | 0 | 108.6 | T191 Y195 L207 E209 R245 E247 | T191-K193 HydrophobicContact CG2-CG 4.46Å; K193-Y195 HydrophobicContact CB-CE2 3.86Å; K193-L207 HydrophobicContact CB-CD1 3.53Å; K193-L207 HydrophobicContact CD-CD1 4.44Å; K193-L207 HydrophobicContact CD-CD2 4.42Å; K193-L207 HydrophobicContact CG-CD1 3.92Å; K193-E209 WeakPolarHBondContact CE-OE2 3.33Å; K193-E209 HydrophobicContact CG-CB 4.44Å; K193-E209 HydrophobicContact CG-CG 4.08Å; K193-R245 HydrophobicContact CB-CB 4.37Å; K193-R245 PolarHBondContact N-O 2.99Å; K193-R245 PolarHBondContact O-N 3.38Å; K193-E247 WeakPolarHBondContact CE-OE1 3.36Å; K193-E247 VanDerWaalsContact CE-OE2 3.31Å; K193-E247 WeakPolarHBondContact CE-OE2 3.33Å; K193-E247 IonicContact NZ-OE1 2.65Å; K193-E247 PolarHBondContact NZ-OE1 2.73Å; K193-E247 IonicContact NZ-OE2 3.75Å; K193-E247 PolarHBondContact NZ-OE2 3.38Å |
| 194 | V | 94.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.4 | 176.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | L169 L171 V192 V208 F222 L224 L242 | L169-V194 HydrophobicContact CD2-CG1 4.02Å; L169-V194 HydrophobicContact CD2-CG2 4.34Å; L171-V194 HydrophobicContact CD1-CG2 4.29Å; V192-V194 HydrophobicContact CG1-CG2 4.26Å; V194-V208 HydrophobicContact CB-CB 4.42Å; V194-V208 PolarHBondContact N-O 2.97Å; V194-V208 PolarHBondContact O-N 2.94Å; V194-F222 HydrophobicContact CG2-CD1 3.78Å; V194-F222 HydrophobicContact CG2-CE1 4.12Å; V194-F222 HydrophobicContact CG2-CG 4.1Å; V194-L224 HydrophobicContact CG1-CD2 4.32Å; V194-L242 HydrophobicContact CG1-CD1 4.29Å; V194-L242 HydrophobicContact CG1-CD2 4.37Å |
| 195 | Y | 92.9 | Very high | 80.5 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.6 | 173.8 | -63.7 | -89.2 | 0 | 0 | 0 | 109.3 | K193 W205 N206 L207 L242 D243 R245 | K193-Y195 HydrophobicContact CB-CE2 3.86Å; Y195-W205 HydrophobicContact CD1-CB 4.27Å; Y195-N206 CarbonylContact C-O 3.53Å; Y195-N206 WeakPolarHBondContact CA-O 3.39Å; Y195-L207 HydrophobicContact CD1-CB 4.29Å; Y195-L207 HydrophobicContact CD1-CD1 4.17Å; Y195-L207 HydrophobicContact CD2-CD1 4.4Å; Y195-L207 HydrophobicContact CE1-CB 4.22Å; Y195-L207 HydrophobicContact CE1-CD1 3.94Å; Y195-L207 HydrophobicContact CE1-CD2 4.39Å; Y195-L207 HydrophobicContact CE1-CG 4.41Å; Y195-L207 HydrophobicContact CE2-CD1 4.16Å; Y195-L207 HydrophobicContact CG-CD1 4.4Å; Y195-L242 CarbonylContact O-C 3.58Å; Y195-L242 WeakPolarHBondContact O-CA 3.24Å; Y195-D243 PolarHBondContact N-O 3.05Å; Y195-D243 PolarHBondContact O-N 3.39Å; Y195-R245 HydrophobicContact CD2-CG 4.24Å; Y195-R245 HydrophobicContact CE2-CB 4.36Å; Y195-R245 HydrophobicContact CE2-CG 4.03Å |
| 196 | Y | 90.6 | Very high | 81.8 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.6 | 175.8 | 68.1 | -91.5 | 0 | 0 | 0 | 111.6 | W205 N206 V208 L224 A227 | Y196-W205 WeakPolarHBondContact O-CA 3.49Å; Y196-N206 HydrophobicContact CD1-CB 3.92Å; Y196-N206 HydrophobicContact CD2-CB 4.03Å; Y196-N206 HydrophobicContact CE1-CB 3.37Å; Y196-N206 HydrophobicContact CE2-CB 3.51Å; Y196-N206 WeakPolarHBondContact CE2-ND2 3.33Å; Y196-N206 HydrophobicContact CG-CB 4.22Å; Y196-N206 PolarHBondContact N-O 2.77Å; Y196-N206 PolarHBondContact O-N 2.58Å; Y196-N206 WeakPolarHBondContact OH-CB 3.37Å; Y196-V208 HydrophobicContact CD1-CG2 4.2Å; Y196-V208 HydrophobicContact CE1-CG2 3.86Å; Y196-L224 HydrophobicContact CD1-CD2 4.2Å; Y196-A227 HydrophobicContact CD1-CB 4.41Å; Y196-A227 HydrophobicContact CD2-CB 3.31Å; Y196-A227 HydrophobicContact CE1-CB 4.48Å; Y196-A227 HydrophobicContact CE2-CB 3.4Å; Y196-A227 VanDerWaalsContact CE2-CB 3.4Å; Y196-A227 HydrophobicContact CG-CB 3.85Å |
| 197 | Q | 86.3 | Confident | 82.7 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.5 | 178.3 | -168.7 | 177.1 | 11.5 | 0 | 0 | 110.9 | L201 W205 Q240 N241 | Q197-L201 PolarHBondContact NE2-O 3Å; Q197-W205 HydrophobicContact CB-CE3 4.36Å; Q197-W205 HydrophobicContact CB-CH2 4.5Å; Q197-W205 HydrophobicContact CB-CZ3 4.36Å; Q197-Q240 PolarHBondContact O-NE2 3.46Å; Q197-N241 HydrophobicContact CB-CB 4.29Å; Q197-N241 PolarHBondContact N-O 2.92Å; Q197-N241 PolarHBondContact OE1-ND2 3.25Å |
| 198 | E | 78.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 141.2 | 171 | -73.7 | 176.1 | -178.5 | 0 | 0 | 111.5 | G200 N206 L230 | E198-G200 PolarHBondContact O-N 3.2Å; E198-N206 WeakPolarHBondContact CG-ND2 3.33Å; E198-N206 PolarHBondContact OE1-ND2 2.91Å; E198-L230 HydrophobicContact CG-CD1 3.84Å |
| 199 | P | 67.6 | Low | 83.5 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 119.3 | -180 | 24.2 | -31.7 | 0 | 0 | 0 | 111.7 | L230 V231 R234 | P199-L230 HydrophobicContact CG-CB 4.17Å; P199-V231 HydrophobicContact CG-CG2 4.16Å; P199-R234 PolarHBondContact O-NH1 3.44Å |
| 200 | G | 62.1 | Low | 83.6 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E198 | E198-G200 PolarHBondContact O-N 3.2Š|
| 201 | L | 59 | Low | 83.6 | Confident | 100 Ų | 100 | 66 Ų | 66 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | trans | -112.6 | 97 | 169.5 | -82 | 145.3 | 0 | 0 | 0 | 108.4 | Q197 S203 | Q197-L201 PolarHBondContact NE2-O 3Å; L201-S203 PolarHBondContact O-N 2.8Å | ||
| 202 | G | 57.1 | Low | 83.5 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 77% | 0.773 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 10.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 203 | S | 63.2 | Low | 83.4 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 74% | 0.741 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148 | -14.9 | -173.3 | -164.6 | 0 | 0 | 0 | 0 | 116 | L201 | L201-S203 PolarHBondContact O-N 2.8Š|
| 204 | R | 74.6 | Confident | 83.1 | Confident | 159 Ų | 159 | 67.6 Ų | 67.6 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 117.6 | -178.1 | -167.2 | 178.6 | -175.8 | 175.6 | 2.1 | 110.8 | ||
| 205 | W | 83.1 | Confident | 82.8 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 40% | 0.398 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.1 | 170.7 | -69.1 | 83 | 0 | 0 | 0 | 109.5 | Y195 Y196 Q197 N241 D243 | Y195-W205 HydrophobicContact CD1-CB 4.27Å; Y196-W205 WeakPolarHBondContact O-CA 3.49Å; Q197-W205 HydrophobicContact CB-CE3 4.36Å; Q197-W205 HydrophobicContact CB-CH2 4.5Å; Q197-W205 HydrophobicContact CB-CZ3 4.36Å; W205-N241 HydrophobicContact CH2-CB 4.41Å; W205-D243 HydrophobicContact CH2-CB 4.24Å; W205-D243 HydrophobicContact CZ3-CB 4.01Å |
| 206 | N | 86.8 | Confident | 82.7 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 15% | 0.15 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 160.3 | 169.9 | -67.9 | -54.6 | 0 | 0 | 0 | 109.9 | Y195 Y196 E198 | Y195-N206 CarbonylContact C-O 3.53Å; Y195-N206 WeakPolarHBondContact CA-O 3.39Å; Y196-N206 HydrophobicContact CD1-CB 3.92Å; Y196-N206 HydrophobicContact CD2-CB 4.03Å; Y196-N206 HydrophobicContact CE1-CB 3.37Å; Y196-N206 HydrophobicContact CE2-CB 3.51Å; Y196-N206 WeakPolarHBondContact CE2-ND2 3.33Å; Y196-N206 HydrophobicContact CG-CB 4.22Å; Y196-N206 PolarHBondContact N-O 2.77Å; Y196-N206 PolarHBondContact O-N 2.58Å; Y196-N206 WeakPolarHBondContact OH-CB 3.37Å; E198-N206 WeakPolarHBondContact CG-ND2 3.33Å; E198-N206 PolarHBondContact OE1-ND2 2.91Å |
| 207 | L | 91.6 | Very high | 82.7 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.9 | -171.7 | 172.8 | 61.9 | 0 | 0 | 0 | 111.4 | K193 Y195 E209 | K193-L207 HydrophobicContact CB-CD1 3.53Å; K193-L207 HydrophobicContact CD-CD1 4.44Å; K193-L207 HydrophobicContact CD-CD2 4.42Å; K193-L207 HydrophobicContact CG-CD1 3.92Å; Y195-L207 HydrophobicContact CD1-CB 4.29Å; Y195-L207 HydrophobicContact CD1-CD1 4.17Å; Y195-L207 HydrophobicContact CD2-CD1 4.4Å; Y195-L207 HydrophobicContact CE1-CB 4.22Å; Y195-L207 HydrophobicContact CE1-CD1 3.94Å; Y195-L207 HydrophobicContact CE1-CD2 4.39Å; Y195-L207 HydrophobicContact CE1-CG 4.41Å; Y195-L207 HydrophobicContact CE2-CD1 4.16Å; Y195-L207 HydrophobicContact CG-CD1 4.4Å; L207-E209 HydrophobicContact CG-CB 4.42Å |
| 208 | V | 93.8 | Very high | 83 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.3 | 161.8 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | V194 Y196 L224 | V194-V208 HydrophobicContact CB-CB 4.42Å; V194-V208 PolarHBondContact N-O 2.97Å; V194-V208 PolarHBondContact O-N 2.94Å; Y196-V208 HydrophobicContact CD1-CG2 4.2Å; Y196-V208 HydrophobicContact CE1-CG2 3.86Å; V208-L224 HydrophobicContact CG2-CD2 3.95Å |
| 209 | E | 95 | Very high | 83.6 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.6 | 178.2 | -175.2 | 175.3 | 158.4 | 0 | 0 | 110.9 | T191 V192 K193 L207 | T191-E209 HydrophobicContact CG2-CG 3.67Å; T191-E209 WeakPolarHBondContact CG2-OE1 3.35Å; V192-E209 WeakPolarHBondContact O-CA 3.42Å; K193-E209 WeakPolarHBondContact CE-OE2 3.33Å; K193-E209 HydrophobicContact CG-CB 4.44Å; K193-E209 HydrophobicContact CG-CG 4.08Å; L207-E209 HydrophobicContact CG-CB 4.42Å |
| 210 | K | 95.3 | Very high | 84.9 | Confident | 75 Ų | 75 | 85.5 Ų | 85.5 | 33% | 0.326 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 132.7 | 175.8 | -175.9 | 172.9 | 177.3 | 172.1 | 0 | 111 | V192 T221 F222 | V192-K210 PolarHBondContact N-O 3.1Å; V192-K210 PolarHBondContact O-N 2.54Å; K210-T221 WeakPolarHBondContact CD-O 3.45Å; K210-T221 PolarHBondContact NZ-O 3.26Å; K210-F222 HydrophobicContact CB-CD1 4.05Å; K210-F222 HydrophobicContact CB-CE1 3.71Å; K210-F222 HydrophobicContact CD-CD1 4.31Å; K210-F222 HydrophobicContact CD-CE1 4.22Å; K210-F222 HydrophobicContact CG-CE1 4.46Å |
| 211 | R | 95.3 | Very high | 86.5 | Confident | 205 Ų | 205 | 84.8 Ų | 84.8 | 77% | 0.774 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 125.6 | 167.9 | -67.6 | -178.8 | -179.8 | 167 | -0 | 109.4 | V190 | V190-R211 WeakPolarHBondContact O-CA 3.39Å |
| 212 | V | 94.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.8 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | K189 V190 V192 L214 H220 F222 | K189-V212 WeakPolarHBondContact CA-O 3.49Å; V190-V212 HydrophobicContact CG2-CB 3.99Å; V190-V212 PolarHBondContact N-O 2.76Å; V190-V212 PolarHBondContact O-N 2.91Å; V192-V212 HydrophobicContact CB-CG2 4.32Å; V192-V212 HydrophobicContact CG2-CB 4.39Å; V192-V212 HydrophobicContact CG2-CG2 3.71Å; V212-L214 HydrophobicContact CB-CD1 4.4Å; V212-L214 HydrophobicContact CG1-CD1 3.62Å; V212-L214 HydrophobicContact CG1-CG 3.91Å; V212-H220 HydrophobicContact CG1-CB 4.45Å; V212-H220 WeakPolarHBondContact CG1-NE2 3.37Å; V212-F222 HydrophobicContact CG2-CZ 4.15Å |
| 213 | E | 92.9 | Very high | 90 | Very high | 91 Ų | 91 | 80 Ų | 80 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120 | 173.3 | -57.9 | -163.1 | 163.6 | 0 | 0 | 110 | K187 R188 K189 | K187-E213 IonicContact NZ-OE2 3.97Å; R188-E213 CarbonylContact O-C 3.5Å; R188-E213 WeakPolarHBondContact O-CA 3.27Å; K189-E213 HydrophobicContact CD-CG 4.24Å; K189-E213 WeakPolarHBondContact CD-OE1 3.23Å; K189-E213 WeakPolarHBondContact CE-OE1 3.47Å; K189-E213 HydrophobicContact CG-CG 4.08Å; K189-E213 IonicContact NZ-OE1 3.12Å; K189-E213 PolarHBondContact NZ-OE1 2.8Å |
| 214 | L | 90.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.7 | -178.2 | -62 | 111.6 | 0 | 0 | 0 | 111.1 | F173 L175 R188 V190 V212 V254 | F173-L214 HydrophobicContact CB-CD2 3.48Å; F173-L214 VanDerWaalsContact CB-CD2 3.48Å; F173-L214 HydrophobicContact CG-CD2 4.34Å; L175-L214 HydrophobicContact CD1-CB 4.29Å; L175-L214 HydrophobicContact CD2-CB 3.87Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; L175-L214 HydrophobicContact CG-CB 4.35Å; R188-L214 PolarHBondContact N-O 2.9Å; R188-L214 PolarHBondContact O-N 2.82Å; V190-L214 HydrophobicContact CG2-CD1 3.97Å; V212-L214 HydrophobicContact CB-CD1 4.4Å; V212-L214 HydrophobicContact CG1-CD1 3.62Å; V212-L214 HydrophobicContact CG1-CG 3.91Å; L214-V254 HydrophobicContact CD1-CG1 3.94Å; L214-V254 HydrophobicContact CD1-CG2 4.21Å |
| 215 | R | 89.3 | Confident | 92.2 | Very high | 191 Ų | 191 | 68.2 Ų | 68.2 | 72% | 0.721 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -101.4 | -25.6 | 164.2 | -65.9 | -171.2 | -172.7 | -138.9 | 9.6 | 112.6 | K187 | K187-R215 HydrophobicContact CG-CG 4.01Š|
| 216 | R | 89.6 | Confident | 92.5 | Very high | 200 Ų | 200 | 67.7 Ų | 67.7 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -147.5 | 163.5 | 178.3 | 60.6 | 178 | -177.3 | -91.6 | -0.1 | 108.3 | ||
| 217 | S | 91 | Very high | 92.5 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -57.8 | 141 | 169.4 | -53 | 0 | 0 | 0 | 0 | 110.4 | Y172 F173 L175 | Y172-S217 VanDerWaalsContact OH-CB 3.28Å; Y172-S217 WeakPolarHBondContact OH-CB 3.29Å; F173-S217 CarbonylContact O-C 3.49Å; F173-S217 WeakPolarHBondContact O-CA 3.45Å; F173-S217 WeakPolarHBondContact O-CB 3.19Å; L175-S217 PolarHBondContact N-OG 3.01Å |
| 218 | G | 92.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 171.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y172 F173 | Y172-G218 VanDerWaalsContact CD2-C 3.5Å; F173-G218 PolarHBondContact N-O 2.83Å; F173-G218 PolarHBondContact O-N 3.13Å |
| 219 | W | 92.6 | Very high | 92.2 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.4 | 177.5 | -68.8 | 100.6 | 0 | 0 | 0 | 111.9 | W170 L171 Y172 F269 | W170-W219 HydrophobicContact CB-CE3 3.95Å; W170-W219 HydrophobicContact CB-CZ3 4.12Å; W170-W219 HydrophobicContact CE3-CB 3.79Å; W170-W219 HydrophobicContact CE3-CD2 4.36Å; W170-W219 HydrophobicContact CE3-CE3 4.34Å; W170-W219 HydrophobicContact CE3-CG 4.16Å; W170-W219 HydrophobicContact CZ3-CB 3.96Å; W170-W219 HydrophobicContact CZ3-CG 4.48Å; L171-W219 VanDerWaalsContact C-CE3 3.5Å; Y172-W219 AromaticContact CD2-CD1 3.84Å; Y172-W219 AromaticContact CD2-CD2 3.82Å; Y172-W219 HydrophobicContact CD2-CD2 3.82Å; Y172-W219 AromaticContact CD2-CE2 3.69Å; Y172-W219 HydrophobicContact CD2-CE3 4.48Å; Y172-W219 AromaticContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CG 3.92Å; Y172-W219 HydrophobicContact CD2-CZ2 4.26Å; Y172-W219 AromaticContact CD2-NE1 3.68Å; Y172-W219 HydrophobicContact CG-CD2 4.39Å; Y172-W219 HydrophobicContact CG-CZ2 4.47Å; W219-F269 HydrophobicContact CE3-CE1 4.23Å; W219-F269 HydrophobicContact CH2-CD1 4.11Å; W219-F269 AromaticContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CZ2-CE1 4.22Å; W219-F269 HydrophobicContact CZ3-CD1 4.15Å; W219-F269 AromaticContact CZ3-CE1 3.77Å; W219-F269 HydrophobicContact CZ3-CE1 3.77Å |
| 220 | H | 94.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.7 | 171.5 | -70.9 | -87 | 0 | 0 | 0 | 110.8 | L171 F173 V212 F222 | L171-H220 PolarHBondContact N-O 2.84Å; L171-H220 PolarHBondContact O-N 2.87Å; F173-H220 HydrophobicContact CD2-CB 4.13Å; F173-H220 AromaticContact CD2-CD2 3.77Å; F173-H220 HydrophobicContact CE2-CB 3.91Å; V212-H220 HydrophobicContact CG1-CB 4.45Å; V212-H220 WeakPolarHBondContact CG1-NE2 3.37Å; H220-F222 HydrophobicContact CB-CE2 4.24Å |
| 221 | T | 94.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 31% | 0.307 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.2 | -173.1 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | T168 L169 W170 K210 | T168-T221 HydrophobicContact CG2-CG2 3.73Å; L169-T221 CarbonylContact O-C 3.55Å; L169-T221 VanDerWaalsContact O-CA 3.29Å; L169-T221 WeakPolarHBondContact O-CA 3.39Å; W170-T221 HydrophobicContact CD2-CG2 3.77Å; W170-T221 HydrophobicContact CE3-CG2 4.1Å; W170-T221 HydrophobicContact CG-CG2 4.33Å; W170-T221 HydrophobicContact CH2-CG2 4.04Å; W170-T221 HydrophobicContact CZ2-CG2 3.72Å; W170-T221 HydrophobicContact CZ3-CG2 4.22Å; K210-T221 WeakPolarHBondContact CD-O 3.45Å; K210-T221 PolarHBondContact NZ-O 3.26Å |
| 222 | F | 94.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.8 | 178.1 | -60.1 | -101.2 | 0 | 0 | 0 | 109.1 | T168 L169 L171 F173 V192 V194 K210 V212 H220 L224 | T168-F222 CarbonylContact C-O 3.53Å; T168-F222 WeakPolarHBondContact CA-O 3.35Å; L169-F222 HydrophobicContact CB-CB 4.26Å; L169-F222 HydrophobicContact CD2-CB 4.5Å; L169-F222 PolarHBondContact N-O 2.73Å; L169-F222 PolarHBondContact O-N 3.24Å; L171-F222 HydrophobicContact CB-CD2 4.48Å; L171-F222 HydrophobicContact CB-CE2 4.05Å; L171-F222 HydrophobicContact CD1-CD2 3.95Å; L171-F222 HydrophobicContact CD1-CE2 3.71Å; L171-F222 HydrophobicContact CD1-CZ 4.27Å; L171-F222 HydrophobicContact CG-CD2 4.21Å; L171-F222 HydrophobicContact CG-CE2 4.13Å; F173-F222 HydrophobicContact CE2-CE2 4.08Å; F173-F222 HydrophobicContact CE2-CZ 4.27Å; F173-F222 HydrophobicContact CZ-CE2 4.23Å; F173-F222 HydrophobicContact CZ-CZ 4.07Å; V192-F222 HydrophobicContact CB-CE1 3.73Å; V192-F222 HydrophobicContact CB-CZ 3.76Å; V192-F222 HydrophobicContact CG1-CE1 3.62Å; V192-F222 HydrophobicContact CG1-CZ 3.57Å; V192-F222 HydrophobicContact CG2-CZ 4.25Å; V194-F222 HydrophobicContact CG2-CD1 3.78Å; V194-F222 HydrophobicContact CG2-CE1 4.12Å; V194-F222 HydrophobicContact CG2-CG 4.1Å; K210-F222 HydrophobicContact CB-CD1 4.05Å; K210-F222 HydrophobicContact CB-CE1 3.71Å; K210-F222 HydrophobicContact CD-CD1 4.31Å; K210-F222 HydrophobicContact CD-CE1 4.22Å; K210-F222 HydrophobicContact CG-CE1 4.46Å; V212-F222 HydrophobicContact CG2-CZ 4.15Å; H220-F222 HydrophobicContact CB-CE2 4.24Å; F222-L224 PolarHBondContact O-N 3.46Å |
| 223 | S | 94.7 | Very high | 89.5 | Confident | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.9 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | T225 | S223-T225 PolarHBondContact OG-OG1 2.86Å |
| 224 | L | 92.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -121.3 | 24.8 | 174.6 | -66.5 | -176.2 | 0 | 0 | 0 | 111.2 | A167 L169 V194 Y196 V208 F222 D226 A227 V228 L242 L270 | A167-L224 PolarHBondContact O-N 2.8Å; L169-L224 HydrophobicContact CB-CD1 3.68Å; L169-L224 HydrophobicContact CB-CG 4.13Å; L169-L224 HydrophobicContact CD2-CD1 4.1Å; L169-L224 HydrophobicContact CG-CD1 4.39Å; V194-L224 HydrophobicContact CG1-CD2 4.32Å; Y196-L224 HydrophobicContact CD1-CD2 4.2Å; V208-L224 HydrophobicContact CG2-CD2 3.95Å; F222-L224 PolarHBondContact O-N 3.46Å; L224-D226 PolarHBondContact O-N 3.47Å; L224-A227 HydrophobicContact CB-CB 4.42Å; L224-A227 WeakPolarHBondContact O-CB 3.44Å; L224-A227 PolarHBondContact O-N 3.45Å; L224-V228 HydrophobicContact CB-CG2 4.33Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.37Å; L224-L242 HydrophobicContact CD1-CD1 3.69Å; L224-L242 HydrophobicContact CD1-CD2 4.02Å; L224-L270 HydrophobicContact CB-CD1 4.49Å; L224-L270 HydrophobicContact CD1-CD1 4.18Å | ||
| 225 | T | 91.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | -169.9 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | V164 T165 A167 S223 V228 R229 | V164-T225 HydrophobicContact CG1-CG2 4.33Å; T165-T225 WeakPolarHBondContact O-CG2 3.49Å; A167-T225 PolarHBondContact N-OG1 3.42Å; A167-T225 PolarHBondContact O-N 3.25Å; A167-T225 PolarHBondContact O-OG1 3.48Å; S223-T225 PolarHBondContact OG-OG1 2.86Å; T225-V228 PolarHBondContact O-N 2.95Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.9Å |
| 226 | D | 89.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.5 | -39.3 | -179.3 | -56 | -38.9 | 0 | 0 | 0 | 112 | L224 V228 R229 L230 | L224-D226 PolarHBondContact O-N 3.47Å; D226-V228 PolarHBondContact O-N 2.87Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-CZ 2.7Å; D226-R229 IonicContact OD1-NH1 3.42Å; D226-R229 PolarHBondContact OD1-NH1 3.07Å; D226-R229 IonicContact OD1-NH2 3.99Å; D226-L230 WeakPolarHBondContact O-CG 3.46Å; D226-L230 PolarHBondContact O-N 3.42Å |
| 227 | A | 88.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y196 L224 L230 V231 | Y196-A227 HydrophobicContact CD1-CB 4.41Å; Y196-A227 HydrophobicContact CD2-CB 3.31Å; Y196-A227 HydrophobicContact CE1-CB 4.48Å; Y196-A227 HydrophobicContact CE2-CB 3.4Å; Y196-A227 VanDerWaalsContact CE2-CB 3.4Å; Y196-A227 HydrophobicContact CG-CB 3.85Å; L224-A227 HydrophobicContact CB-CB 4.42Å; L224-A227 WeakPolarHBondContact O-CB 3.44Å; L224-A227 PolarHBondContact O-N 3.45Å; A227-L230 PolarHBondContact O-N 3.27Å; A227-V231 PolarHBondContact O-N 3.34Å |
| 228 | V | 88.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73 | -33.1 | -176.9 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | I154 V164 A167 L224 T225 D226 L230 V231 F232 L270 V272 | I154-V228 HydrophobicContact CD1-CG1 3.74Å; I154-V228 HydrophobicContact CD1-CG2 4.17Å; V164-V228 HydrophobicContact CG1-CG1 4.18Å; V164-V228 HydrophobicContact CG2-CG1 4.11Å; A167-V228 HydrophobicContact CB-CB 3.7Å; A167-V228 HydrophobicContact CB-CG1 4.08Å; A167-V228 HydrophobicContact CB-CG2 3.65Å; L224-V228 HydrophobicContact CB-CG2 4.33Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.37Å; T225-V228 PolarHBondContact O-N 2.95Å; D226-V228 PolarHBondContact O-N 2.87Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.35Å; V228-V231 PolarHBondContact O-N 3.2Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.84Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 3.49Å; V228-F232 VanDerWaalsContact O-N 3.11Å; V228-L270 HydrophobicContact CG2-CD1 4.44Å; V228-L270 HydrophobicContact CG2-CD2 3.89Å; V228-V272 HydrophobicContact CG1-CG1 3.84Å; V228-V272 HydrophobicContact CG1-CG2 3.87Å |
| 229 | R | 88.7 | Confident | 83.8 | Confident | 85 Ų | 85 | 61 Ų | 61 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.2 | -47.4 | 171.5 | -85.8 | -173.8 | -138.3 | 126.6 | 6.5 | 111.6 | V164 T225 D226 V231 F232 E233 | V164-R229 HydrophobicContact CB-CG 3.73Å; V164-R229 HydrophobicContact CG1-CG 4.22Å; V164-R229 PolarHBondContact O-NE 3.38Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.9Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-CZ 2.7Å; D226-R229 IonicContact OD1-NH1 3.42Å; D226-R229 PolarHBondContact OD1-NH1 3.07Å; D226-R229 IonicContact OD1-NH2 3.99Å; R229-V231 VanDerWaalsContact C-N 3.27Å; R229-V231 PolarHBondContact O-N 3.11Å; R229-F232 PolarHBondContact O-N 3.26Å; R229-E233 WeakPolarHBondContact O-CG 3.5Å; R229-E233 PolarHBondContact O-N 3.22Å |
| 230 | L | 84.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 57 Ų | 57 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 179.4 | -68.7 | 169.7 | 0 | 0 | 0 | 112.6 | E198 P199 D226 A227 V228 F232 R234 | E198-L230 HydrophobicContact CG-CD1 3.84Å; P199-L230 HydrophobicContact CG-CB 4.17Å; D226-L230 WeakPolarHBondContact O-CG 3.46Å; D226-L230 PolarHBondContact O-N 3.42Å; A227-L230 PolarHBondContact O-N 3.27Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 3.35Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-R234 PolarHBondContact O-N 2.92Å |
| 231 | V | 83 | Confident | 83.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 174.3 | 177 | 0 | 0 | 0 | 0 | 111.8 | P199 A227 V228 R229 R238 Q240 | P199-V231 HydrophobicContact CG-CG2 4.16Å; A227-V231 PolarHBondContact O-N 3.34Å; V228-V231 PolarHBondContact O-N 3.2Å; R229-V231 VanDerWaalsContact C-N 3.27Å; R229-V231 PolarHBondContact O-N 3.11Å; V231-R238 HydrophobicContact CG1-CB 4.13Å; V231-Q240 HydrophobicContact CG2-CB 4.42Å |
| 232 | F | 80 | Confident | 83.2 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.9 | -29.2 | 178.4 | -87.6 | -116.1 | 0 | 0 | 0 | 113.8 | I134 I154 L162 V164 V228 R229 L230 R234 V272 | I134-F232 HydrophobicContact CD1-CE1 4.35Å; I134-F232 HydrophobicContact CD1-CZ 4.06Å; I154-F232 HydrophobicContact CB-CE2 4.08Å; I154-F232 HydrophobicContact CD1-CE2 4.21Å; I154-F232 HydrophobicContact CG2-CE2 3.54Å; I154-F232 HydrophobicContact CG2-CZ 3.62Å; L162-F232 HydrophobicContact CB-CD1 3.99Å; L162-F232 HydrophobicContact CB-CE1 3.95Å; L162-F232 HydrophobicContact CD1-CE1 4.09Å; V164-F232 HydrophobicContact CG2-CB 3.96Å; V164-F232 HydrophobicContact CG2-CD1 3.76Å; V164-F232 HydrophobicContact CG2-CD2 3.68Å; V164-F232 HydrophobicContact CG2-CE1 4.14Å; V164-F232 HydrophobicContact CG2-CE2 4.06Å; V164-F232 HydrophobicContact CG2-CG 3.51Å; V164-F232 HydrophobicContact CG2-CZ 4.28Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.84Å; V228-F232 WeakPolarHBondContact O-CD2 3.41Å; V228-F232 PolarHBondContact O-N 3.49Å; V228-F232 VanDerWaalsContact O-N 3.11Å; R229-F232 PolarHBondContact O-N 3.26Å; L230-F232 VanDerWaalsContact C-N 3.32Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-V272 HydrophobicContact CE2-CG1 4.45Å; F232-V272 HydrophobicContact CZ-CG1 4.36Å |
| 233 | E | 76.4 | Confident | 83 | Confident | 144 Ų | 144 | 55 Ų | 55 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -73.6 | -24.7 | 179.5 | -74.6 | 173.1 | -175.3 | 0 | 0 | 113.1 | R229 | R229-E233 WeakPolarHBondContact O-CG 3.5Å; R229-E233 PolarHBondContact O-N 3.22Å |
| 234 | R | 69.9 | Low | 82.9 | Confident | 146 Ų | 146 | 51.8 Ų | 51.8 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -94.1 | 123.6 | -177.4 | -159.3 | 167.2 | -172.8 | 144.8 | 5.5 | 111.3 | P199 L230 F232 G236 | P199-R234 PolarHBondContact O-NH1 3.44Å; L230-R234 PolarHBondContact O-N 2.92Å; F232-R234 VanDerWaalsContact C-N 3.34Å; R234-G236 PolarHBondContact O-N 3.42Å |
| 235 | S | 56.8 | Low | 83 | Confident | 130 Ų | 130 | 58 Ų | 58 | 91% | 0.909 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -67.2 | 98.8 | 172.1 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 236 | G | 65.7 | Low | 83.1 | Confident | 52 Ų | 52 | 59 Ų | 59 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 166.6 | -148.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R234 R238 | R234-G236 PolarHBondContact O-N 3.42Å; G236-R238 PolarHBondContact O-N 3.23Å |
| 237 | D | 67.6 | Low | 83.3 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 65% | 0.647 | 29% | 0.293 | S | S | * | . | trans | -61.5 | 119.1 | 180 | -173.4 | 14.4 | 0 | 0 | 0 | 111.1 | R239 | D237-R239 PolarHBondContact O-N 3.3Å; D237-R239 WeakPolarHBondContact OD1-CB 2.92Å; D237-R239 PolarHBondContact OD1-N 3.05Å | ||
| 238 | R | 78.6 | Confident | 83.4 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | trans | -93.6 | 33.9 | -176.6 | -60.9 | -175 | -177.1 | -149.6 | 1.7 | 112.1 | I154 N156 V231 G236 | I154-R238 PolarHBondContact N-O 3.45Å; I154-R238 VanDerWaalsContact N-O 3.13Å; I154-R238 WeakPolarHBondContact O-CD 3.42Å; N156-R238 VanDerWaalsContact CG-NH1 3.3Å; N156-R238 PolarHBondContact ND2-NH1 2.9Å; N156-R238 PolarHBondContact ND2-NH2 2.84Å; V231-R238 HydrophobicContact CG1-CB 4.13Å; G236-R238 PolarHBondContact O-N 3.23Å | ||
| 239 | R | 86.9 | Confident | 83.4 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.6 | 178.4 | -178.7 | 176 | 173.4 | 166.4 | 3.5 | 110 | D141 F151 F152 L153 D237 N241 | D141-R239 IonicContact OD2-CZ 3.96Å; D141-R239 IonicContact OD2-NH1 3.98Å; D141-R239 IonicContact OD2-NH2 3.64Å; D141-R239 PolarHBondContact OD2-NH2 3.16Å; F151-R239 HydrophobicContact CB-CG 4.14Å; F151-R239 HydrophobicContact CD2-CG 4.1Å; F151-R239 HydrophobicContact CG-CG 4.37Å; F152-R239 WeakPolarHBondContact O-CA 3.45Å; L153-R239 HydrophobicContact CD2-CB 4.08Å; L153-R239 HydrophobicContact CD2-CG 4.4Å; D237-R239 PolarHBondContact O-N 3.3Å; D237-R239 WeakPolarHBondContact OD1-CB 2.92Å; D237-R239 PolarHBondContact OD1-N 3.05Å; R239-N241 PolarHBondContact NE-OD1 2.92Å |
| 240 | Q | 87.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 109.7 | 170.7 | -178.7 | 59.4 | 70.8 | 0 | 0 | 109.9 | F151 F152 I154 Q197 V231 L242 | F151-Q240 CarbonylContact C-O 3.59Å; F151-Q240 VanDerWaalsContact CA-O 3.25Å; F151-Q240 WeakPolarHBondContact CA-O 3.49Å; F152-Q240 PolarHBondContact N-O 3.34Å; F152-Q240 PolarHBondContact O-N 3.23Å; I154-Q240 HydrophobicContact CD1-CB 4.45Å; Q197-Q240 PolarHBondContact O-NE2 3.46Å; V231-Q240 HydrophobicContact CG2-CB 4.42Å; Q240-L242 HydrophobicContact CG-CD2 4.08Å; Q240-L242 HydrophobicContact CG-CG 4.48Å |
| 241 | N | 89.3 | Confident | 83.6 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.5 | 174.8 | -63.2 | -38.5 | 0 | 0 | 0 | 110.9 | F151 Q197 W205 R239 | F151-N241 WeakPolarHBondContact CB-OD1 3.43Å; Q197-N241 HydrophobicContact CB-CB 4.29Å; Q197-N241 PolarHBondContact N-O 2.92Å; Q197-N241 PolarHBondContact OE1-ND2 3.25Å; W205-N241 HydrophobicContact CH2-CB 4.41Å; R239-N241 PolarHBondContact NE-OD1 2.92Å |
| 242 | L | 91.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.1 | 177.5 | -57.5 | -173.6 | 0 | 0 | 0 | 111.5 | S149 L150 F152 L169 V194 Y195 L224 Q240 | S149-L242 WeakPolarHBondContact CA-O 3.45Å; L150-L242 PolarHBondContact N-O 3.15Å; L150-L242 PolarHBondContact O-N 2.89Å; L150-L242 VanDerWaalsContact O-O 3.07Å; F152-L242 HydrophobicContact CD2-CD1 4Å; F152-L242 HydrophobicContact CD2-CG 4.34Å; F152-L242 HydrophobicContact CE2-CD1 3.5Å; F152-L242 VanDerWaalsContact CE2-CD1 3.5Å; F152-L242 HydrophobicContact CE2-CG 4.2Å; F152-L242 HydrophobicContact CZ-CD1 4.49Å; L169-L242 HydrophobicContact CD1-CD1 4.27Å; L169-L242 HydrophobicContact CD2-CD1 3.85Å; V194-L242 HydrophobicContact CG1-CD1 4.29Å; V194-L242 HydrophobicContact CG1-CD2 4.37Å; Y195-L242 CarbonylContact O-C 3.58Å; Y195-L242 WeakPolarHBondContact O-CA 3.24Å; L224-L242 HydrophobicContact CD1-CD1 3.69Å; L224-L242 HydrophobicContact CD1-CD2 4.02Å; Q240-L242 HydrophobicContact CG-CD2 4.08Å; Q240-L242 HydrophobicContact CG-CG 4.48Å |
| 243 | D | 91.4 | Very high | 84.2 | Confident | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118.4 | 166.7 | -176.7 | 59.5 | 0 | 0 | 0 | 109 | S148 Y195 W205 R245 | S148-D243 VanDerWaalsContact CB-OD1 3.23Å; S148-D243 WeakPolarHBondContact CB-OD1 3.45Å; S148-D243 PolarHBondContact OG-OD1 2.88Å; Y195-D243 PolarHBondContact N-O 3.05Å; Y195-D243 PolarHBondContact O-N 3.39Å; W205-D243 HydrophobicContact CH2-CB 4.24Å; W205-D243 HydrophobicContact CZ3-CB 4.01Å; D243-R245 IonicContact OD2-CZ 2.75Å; D243-R245 IonicContact OD2-NE 2.72Å; D243-R245 PolarHBondContact OD2-NE 3.43Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.27Å |
| 244 | V | 93.1 | Very high | 85 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.3 | -175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | S148 L171 V192 L258 | S148-V244 VanDerWaalsContact CB-O 3.27Å; S148-V244 WeakPolarHBondContact CB-O 3.42Å; S148-V244 PolarHBondContact O-N 2.82Å; L171-V244 HydrophobicContact CD1-CG1 3.82Å; L171-V244 HydrophobicContact CD1-CG2 4.23Å; V192-V244 HydrophobicContact CG1-CG1 4.21Å; V244-L258 HydrophobicContact CB-CD1 4.22Å; V244-L258 HydrophobicContact CB-CD2 3.99Å; V244-L258 HydrophobicContact CG1-CD2 4.05Å; V244-L258 HydrophobicContact CG2-CD2 4.2Å |
| 245 | R | 93.8 | Very high | 86 | Confident | 135 Ų | 135 | 58.3 Ų | 58.3 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139 | 176.2 | -56.7 | -168.4 | -171.3 | 176.3 | 0 | 110.7 | K193 Y195 D243 | K193-R245 HydrophobicContact CB-CB 4.37Å; K193-R245 PolarHBondContact N-O 2.99Å; K193-R245 PolarHBondContact O-N 3.38Å; Y195-R245 HydrophobicContact CD2-CG 4.24Å; Y195-R245 HydrophobicContact CE2-CB 4.36Å; Y195-R245 HydrophobicContact CE2-CG 4.03Å; D243-R245 IonicContact OD2-CZ 2.75Å; D243-R245 IonicContact OD2-NE 2.72Å; D243-R245 PolarHBondContact OD2-NE 3.43Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.27Å |
| 246 | C | 93.4 | Very high | 87.6 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.9 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | C249 P256 | C246-C249 HydrophobicContact CB-CB 3.66Å; C246-C249 WeakPolarHBondContact CB-SG 3.34Å; C246-C249 WeakPolarHBondContact SG-CB 3.13Å; C246-C249 CovalentContact SG-SG 2.02Å; C246-C249 PolarHBondContact SG-SG 3.48Å; C246-P256 HydrophobicContact CB-CG 4.41Å |
| 247 | E | 94.2 | Very high | 88.6 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.9 | 175.5 | -66.1 | 177.3 | 173.7 | 0 | 0 | 109.7 | T191 K193 C249 | T191-E247 PolarHBondContact N-O 2.85Å; T191-E247 VanDerWaalsContact N-O 3.09Å; T191-E247 PolarHBondContact O-N 2.97Å; K193-E247 WeakPolarHBondContact CE-OE1 3.36Å; K193-E247 VanDerWaalsContact CE-OE2 3.31Å; K193-E247 WeakPolarHBondContact CE-OE2 3.33Å; K193-E247 IonicContact NZ-OE1 2.65Å; K193-E247 PolarHBondContact NZ-OE1 2.73Å; K193-E247 IonicContact NZ-OE2 3.75Å; K193-E247 PolarHBondContact NZ-OE2 3.38Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.04Å |
| 248 | G | 88.9 | Confident | 89.4 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -2.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E250 A251 E252 | G248-E250 PolarHBondContact O-N 2.87Å; G248-A251 PolarHBondContact O-N 2.79Å; G248-E252 WeakPolarHBondContact O-CB 3.43Å; G248-E252 WeakPolarHBondContact O-CG 3.45Å; G248-E252 PolarHBondContact O-N 2.72Å |
| 249 | C | 90.6 | Very high | 89 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -45.1 | 178.4 | -100 | 0 | 0 | 0 | 0 | 112.8 | C246 E247 E252 G253 V254 | C246-C249 HydrophobicContact CB-CB 3.66Å; C246-C249 WeakPolarHBondContact CB-SG 3.34Å; C246-C249 WeakPolarHBondContact SG-CB 3.13Å; C246-C249 CovalentContact SG-SG 2.02Å; C246-C249 PolarHBondContact SG-SG 3.48Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.04Å; C249-E252 CarbonylContact O-C 3.51Å; C249-E252 PolarHBondContact O-N 2.75Å; C249-G253 CarbonylContact O-C 3.45Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 2.8Å; C249-V254 CarbonylContact C-O 3.56Å; C249-V254 HydrophobicContact CB-CB 4.4Å; C249-V254 WeakPolarHBondContact CB-O 2.85Å; C249-V254 PolarHBondContact O-N 2.8Å; C249-V254 PolarHBondContact SG-O 3.26Å; C249-V254 VanDerWaalsContact SG-O 3.35Å |
| 250 | E | 88 | Confident | 88 | Confident | 189 Ų | 189 | 46.9 Ų | 46.9 | 88% | 0.883 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -48.1 | 179.1 | -173.1 | 173.9 | -173.2 | 0 | 0 | 112.1 | G248 E252 G253 | G248-E250 PolarHBondContact O-N 2.87Å; E250-E252 VanDerWaalsContact C-N 3.29Å; E250-E252 PolarHBondContact O-N 2.92Å; E250-G253 PolarHBondContact O-N 3.47Å; E250-G253 VanDerWaalsContact O-N 3.09Å |
| 251 | A | 87.9 | Confident | 86.8 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 69% | 0.686 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -34.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G248 | G248-A251 PolarHBondContact O-N 2.79Š|
| 252 | E | 88.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6.5 | 177.2 | -62.4 | -61.3 | 153.5 | 0 | 0 | 112.8 | R185 R188 V190 G248 C249 E250 V254 | R185-E252 IonicContact CZ-OE1 3.79Å; R185-E252 IonicContact CZ-OE2 3.91Å; R185-E252 IonicContact NH1-OE1 3.92Å; R185-E252 PolarHBondContact NH1-OE1 2.76Å; R185-E252 IonicContact NH1-OE2 2.67Å; R185-E252 PolarHBondContact NH1-OE2 2.52Å; R188-E252 HydrophobicContact CB-CB 4.32Å; R188-E252 WeakPolarHBondContact CD-O 2.93Å; R188-E252 PolarHBondContact NE-O 2.8Å; R188-E252 PolarHBondContact NH1-O 3.13Å; V190-E252 HydrophobicContact CG1-CB 3.9Å; V190-E252 HydrophobicContact CG1-CG 4.04Å; G248-E252 WeakPolarHBondContact O-CB 3.43Å; G248-E252 WeakPolarHBondContact O-CG 3.45Å; G248-E252 PolarHBondContact O-N 2.72Å; C249-E252 CarbonylContact O-C 3.51Å; C249-E252 PolarHBondContact O-N 2.75Å; E250-E252 VanDerWaalsContact C-N 3.29Å; E250-E252 PolarHBondContact O-N 2.92Å; E252-V254 HydrophobicContact CB-CG2 3.91Å; E252-V254 WeakPolarHBondContact O-CG2 3.39Å; E252-V254 PolarHBondContact O-N 2.72Å |
| 253 | G | 89.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L176 R188 C249 E250 | L176-G253 WeakPolarHBondContact CB-O 3.24Å; L176-G253 PolarHBondContact N-O 3.23Å; R188-G253 PolarHBondContact NH1-O 3.27Å; C249-G253 CarbonylContact O-C 3.45Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 2.8Å; E250-G253 PolarHBondContact O-N 3.47Å; E250-G253 VanDerWaalsContact O-N 3.09Å |
| 254 | V | 91.4 | Very high | 83.5 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.9 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | F173 L175 R188 V190 L214 C249 E252 | F173-V254 HydrophobicContact CB-CG1 4.16Å; F173-V254 HydrophobicContact CD1-CG1 4.02Å; L175-V254 HydrophobicContact CD2-CG2 3.72Å; R188-V254 HydrophobicContact CB-CG2 4.31Å; V190-V254 HydrophobicContact CG1-CB 4.14Å; V190-V254 HydrophobicContact CG1-CG2 3.81Å; V190-V254 HydrophobicContact CG2-CG1 4.48Å; L214-V254 HydrophobicContact CD1-CG1 3.94Å; L214-V254 HydrophobicContact CD1-CG2 4.21Å; C249-V254 CarbonylContact C-O 3.56Å; C249-V254 HydrophobicContact CB-CB 4.4Å; C249-V254 WeakPolarHBondContact CB-O 2.85Å; C249-V254 PolarHBondContact O-N 2.8Å; C249-V254 PolarHBondContact SG-O 3.26Å; C249-V254 VanDerWaalsContact SG-O 3.35Å; E252-V254 HydrophobicContact CB-CG2 3.91Å; E252-V254 WeakPolarHBondContact O-CG2 3.39Å; E252-V254 PolarHBondContact O-N 2.72Å |
| 255 | V | 91.1 | Very high | 82.8 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 38% | 0.376 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | K174 L176 | K174-V255 PolarHBondContact N-O 2.99Å; K174-V255 PolarHBondContact O-N 3.2Å; L176-V255 HydrophobicContact CD1-CG2 3.67Å; L176-V255 HydrophobicContact CD2-CG2 4.16Å; L176-V255 HydrophobicContact CG-CG2 3.88Å |
| 256 | P | 90.9 | Very high | 82.4 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 128.7 | 169 | 29.2 | -31.4 | 0 | 0 | 0 | 109.6 | F173 C246 L258 | F173-P256 HydrophobicContact CD1-CB 4.06Å; F173-P256 HydrophobicContact CE1-CB 3.84Å; C246-P256 HydrophobicContact CB-CG 4.41Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CB-CG 4.35Å; P256-L258 PolarHBondContact O-N 3.13Å |
| 257 | V | 87.3 | Confident | 82.1 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.4 | 173.4 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | Y172 K174 D263 H266 P268 | Y172-V257 HydrophobicContact CD1-CB 4.28Å; Y172-V257 HydrophobicContact CD1-CG2 3.78Å; Y172-V257 PolarHBondContact O-N 3.13Å; K174-V257 HydrophobicContact CB-CG2 4.32Å; V257-D263 HydrophobicContact CG1-CB 4.38Å; V257-H266 HydrophobicContact CB-CB 4.22Å; V257-H266 HydrophobicContact CG1-CB 3.83Å; V257-H266 HydrophobicContact CG2-CB 4.49Å; V257-P268 WeakPolarHBondContact O-CG 3.32Å |
| 258 | L | 83.1 | Confident | 82 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | trans | -99.9 | -68.6 | -178 | -59.9 | -177.5 | 0 | 0 | 0 | 110.5 | L150 L171 V244 P256 P268 | L150-L258 HydrophobicContact CD1-CB 4.13Å; L150-L258 HydrophobicContact CD1-CD2 4Å; L150-L258 HydrophobicContact CD2-CB 4.38Å; L171-L258 HydrophobicContact CD2-CD2 4.14Å; V244-L258 HydrophobicContact CB-CD1 4.22Å; V244-L258 HydrophobicContact CB-CD2 3.99Å; V244-L258 HydrophobicContact CG1-CD2 4.05Å; V244-L258 HydrophobicContact CG2-CD2 4.2Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CB-CG 4.35Å; P256-L258 PolarHBondContact O-N 3.13Å; L258-P268 WeakPolarHBondContact O-CD 3.41Å; L258-P268 WeakPolarHBondContact O-CG 3.5Å | ||
| 259 | M | 70.9 | Confident | 82.1 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | trans | -147.4 | 112.6 | 169.4 | -76.8 | -171.5 | 48.2 | 0 | 0 | 109.5 | K140 L150 | K140-M259 HydrophobicContact CB-CE 3.68Å; K140-M259 HydrophobicContact CB-SD 3.53Å; K140-M259 VanDerWaalsContact CB-SD 3.53Å; K140-M259 PolarHBondContact N-SD 3.34Å; L150-M259 HydrophobicContact CD2-CB 4.44Å; L150-M259 HydrophobicContact CD2-CG 3.64Å; L150-M259 HydrophobicContact CD2-SD 3.72Å | ||
| 260 | N | 67.1 | Low | 82.1 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -131.7 | 120.4 | 173.9 | -178.1 | 7.1 | 0 | 0 | 0 | 107.6 | K262 D263 | N260-K262 PolarHBondContact O-N 2.95Å; N260-K262 PolarHBondContact OD1-N 2.82Å; N260-D263 HydrophobicContact CB-CB 4.24Å; N260-D263 PolarHBondContact ND2-OD2 3.44Å; N260-D263 PolarHBondContact O-N 2.87Å | ||
| 261 | P | 61.5 | Low | 82.1 | Confident | 115 Ų | 115 | 58 Ų | 58 | 75% | 0.747 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20 | -179.1 | -22.4 | 30.9 | 0 | 0 | 0 | 113.7 | ||
| 262 | K | 64.7 | Low | 82.2 | Confident | 191 Ų | 191 | 54.1 Ų | 54.1 | 83% | 0.83 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.4 | 179.4 | -61.3 | -174.7 | 178.3 | -176.1 | 0 | 114.2 | N260 | N260-K262 PolarHBondContact O-N 2.95Å; N260-K262 PolarHBondContact OD1-N 2.82Å |
| 263 | D | 67.3 | Low | 82.2 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | trans | -125 | 52.8 | -175.3 | -87.2 | -49 | 0 | 0 | 0 | 110.7 | V257 N260 A265 H266 | V257-D263 HydrophobicContact CG1-CB 4.38Å; N260-D263 HydrophobicContact CB-CB 4.24Å; N260-D263 PolarHBondContact ND2-OD2 3.44Å; N260-D263 PolarHBondContact O-N 2.87Å; D263-A265 VanDerWaalsContact C-N 3.26Å; D263-A265 PolarHBondContact O-N 3.33Å; D263-H266 PolarHBondContact O-N 3.26Å; D263-H266 IonicContact OD1-ND1 2.62Å | ||
| 264 | E | 71.8 | Confident | 82 | Confident | 157 Ų | 157 | 56.7 Ų | 56.7 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -60 | -32.9 | -178.2 | -65.6 | -172.8 | 170.2 | 0 | 0 | 113.4 | H266 R267 | E264-H266 PolarHBondContact O-N 3.14Å; E264-H266 VanDerWaalsContact O-N 3.14Å; E264-R267 WeakPolarHBondContact O-CB 3.43Å; E264-R267 PolarHBondContact O-N 2.73Å |
| 265 | A | 78.2 | Confident | 81.6 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -64.1 | -18.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D263 | D263-A265 VanDerWaalsContact C-N 3.26Å; D263-A265 PolarHBondContact O-N 3.33Å |
| 266 | H | 85.8 | Confident | 80.8 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 22% | 0.222 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -111.3 | 17.3 | -177.8 | -59.5 | 107.4 | 0 | 0 | 0 | 112.4 | Y172 V257 D263 E264 | Y172-H266 HydrophobicContact CD1-CB 3.79Å; Y172-H266 AromaticContact CD1-CD2 3.42Å; Y172-H266 VanDerWaalsContact CD1-CD2 3.42Å; Y172-H266 WeakPolarHBondContact CD1-CD2 3.24Å; Y172-H266 AromaticContact CD1-CG 3.63Å; Y172-H266 AromaticContact CD2-CD2 3.53Å; Y172-H266 HydrophobicContact CE1-CB 4.42Å; Y172-H266 AromaticContact CE1-CD2 3.35Å; Y172-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y172-H266 AromaticContact CE1-CG 3.78Å; Y172-H266 AromaticContact CE1-NE2 3.6Å; Y172-H266 AromaticContact CE2-CD2 3.49Å; Y172-H266 VanDerWaalsContact CE2-CD2 3.49Å; Y172-H266 WeakPolarHBondContact CE2-CD2 3.32Å; Y172-H266 AromaticContact CE2-NE2 3.77Å; Y172-H266 HydrophobicContact CG-CB 3.96Å; Y172-H266 AromaticContact CG-CD2 3.48Å; Y172-H266 VanDerWaalsContact CG-CD2 3.48Å; Y172-H266 AromaticContact CG-CG 3.95Å; Y172-H266 AromaticContact CZ-CD2 3.37Å; Y172-H266 AromaticContact CZ-NE2 3.37Å; V257-H266 HydrophobicContact CB-CB 4.22Å; V257-H266 HydrophobicContact CG1-CB 3.83Å; V257-H266 HydrophobicContact CG2-CB 4.49Å; D263-H266 PolarHBondContact O-N 3.26Å; D263-H266 IonicContact OD1-ND1 2.62Å; E264-H266 PolarHBondContact O-N 3.14Å; E264-H266 VanDerWaalsContact O-N 3.14Å |
| 267 | R | 86 | Confident | 79.5 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | trans | -60.2 | 128.5 | 177.1 | -173.9 | 177.2 | -176.3 | -173.9 | -1.3 | 110.4 | A138 E264 | A138-R267 PolarHBondContact O-NE 2.9Å; A138-R267 PolarHBondContact O-NH2 2.86Å; E264-R267 WeakPolarHBondContact O-CB 3.43Å; E264-R267 PolarHBondContact O-N 2.73Å | ||
| 268 | P | 91.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -56.5 | 144.4 | 174.6 | -28.4 | 37 | 0 | 0 | 0 | 112.9 | A138 L150 W170 L171 V257 L258 | A138-P268 HydrophobicContact CB-CB 3.86Å; A138-P268 HydrophobicContact CB-CG 4.42Å; A138-P268 PolarHBondContact N-O 2.91Å; L150-P268 HydrophobicContact CD1-CG 4.21Å; W170-P268 WeakPolarHBondContact O-CA 3.34Å; L171-P268 HydrophobicContact CD2-CB 3.81Å; L171-P268 HydrophobicContact CD2-CG 3.85Å; V257-P268 WeakPolarHBondContact O-CG 3.32Å; L258-P268 WeakPolarHBondContact O-CD 3.41Å; L258-P268 WeakPolarHBondContact O-CG 3.5Å | ||
| 269 | F | 91.1 | Very high | 76.6 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.7 | 176.1 | 61.8 | -86.4 | 0 | 0 | 0 | 111 | I135 S136 F137 W170 W219 V271 | I135-F269 HydrophobicContact CG2-CB 4.15Å; I135-F269 HydrophobicContact CG2-CD2 4.03Å; I135-F269 HydrophobicContact CG2-CG 4.4Å; S136-F269 CarbonylContact O-C 3.39Å; S136-F269 VanDerWaalsContact O-CA 3.24Å; S136-F269 WeakPolarHBondContact O-CA 3.29Å; F137-F269 HydrophobicContact CD1-CB 3.78Å; F137-F269 HydrophobicContact CE1-CB 3.97Å; F137-F269 HydrophobicContact CE1-CG 4.48Å; F137-F269 HydrophobicContact CG-CB 4.46Å; W170-F269 HydrophobicContact CB-CD1 4.02Å; W170-F269 HydrophobicContact CB-CD2 4.08Å; W170-F269 HydrophobicContact CB-CE1 3.67Å; W170-F269 HydrophobicContact CB-CE2 3.74Å; W170-F269 HydrophobicContact CB-CG 4.21Å; W170-F269 HydrophobicContact CB-CZ 3.52Å; W170-F269 AromaticContact CD1-CD2 3.99Å; W170-F269 AromaticContact CD1-CE2 3.47Å; W170-F269 VanDerWaalsContact CD1-CE2 3.47Å; W170-F269 AromaticContact CD1-CZ 3.98Å; W170-F269 AromaticContact CD2-CE2 3.87Å; W170-F269 HydrophobicContact CD2-CE2 3.87Å; W170-F269 AromaticContact CD2-CZ 3.63Å; W170-F269 HydrophobicContact CD2-CZ 3.63Å; W170-F269 AromaticContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CE3-CZ 3.94Å; W170-F269 HydrophobicContact CG-CD2 4.09Å; W170-F269 HydrophobicContact CG-CE1 4.12Å; W170-F269 AromaticContact CG-CE2 3.42Å; W170-F269 HydrophobicContact CG-CE2 3.42Å; W170-F269 VanDerWaalsContact CG-CE2 3.42Å; W170-F269 AromaticContact CG-CZ 3.43Å; W170-F269 HydrophobicContact CG-CZ 3.43Å; W170-F269 VanDerWaalsContact CG-CZ 3.43Å; W170-F269 PolarHBondContact N-O 2.75Å; W170-F269 AromaticContact NE1-CE2 3.95Å; W170-F269 PolarHBondContact O-N 3.24Å; W219-F269 HydrophobicContact CE3-CE1 4.23Å; W219-F269 HydrophobicContact CH2-CD1 4.11Å; W219-F269 AromaticContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CH2-CE1 3.78Å; W219-F269 HydrophobicContact CZ2-CE1 4.22Å; W219-F269 HydrophobicContact CZ3-CD1 4.15Å; W219-F269 AromaticContact CZ3-CE1 3.77Å; W219-F269 HydrophobicContact CZ3-CE1 3.77Å; F269-V271 HydrophobicContact CD2-CG2 3.67Å; F269-V271 HydrophobicContact CE2-CG2 3.58Å |
| 270 | L | 90.5 | Very high | 75.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124 | 177.3 | -179.4 | 68.3 | 0 | 0 | 0 | 108 | I135 S136 F152 I154 L169 L224 V228 V272 | I135-L270 WeakPolarHBondContact CA-O 3.5Å; S136-L270 PolarHBondContact N-O 3.22Å; S136-L270 PolarHBondContact O-N 2.97Å; F152-L270 HydrophobicContact CB-CD2 4.33Å; F152-L270 HydrophobicContact CD1-CB 3.65Å; F152-L270 HydrophobicContact CE1-CB 3.79Å; F152-L270 HydrophobicContact CG-CB 4.19Å; F152-L270 HydrophobicContact CG-CD2 4.32Å; F152-L270 HydrophobicContact CZ-CB 4.44Å; I154-L270 HydrophobicContact CD1-CD2 3.69Å; I154-L270 HydrophobicContact CG1-CD2 4.15Å; L169-L270 HydrophobicContact CB-CD1 4.23Å; L224-L270 HydrophobicContact CB-CD1 4.49Å; L224-L270 HydrophobicContact CD1-CD1 4.18Å; V228-L270 HydrophobicContact CG2-CD1 4.44Å; V228-L270 HydrophobicContact CG2-CD2 3.89Å; L270-V272 HydrophobicContact CD2-CG2 3.91Å; L270-V272 HydrophobicContact CG-CG2 3.86Å |
| 271 | V | 89.6 | Confident | 74.4 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.3 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | E133 I134 I135 A167 T168 F269 | E133-V271 HydrophobicContact CG-CG1 3.76Å; E133-V271 WeakPolarHBondContact OE1-CG1 3.17Å; I134-V271 WeakPolarHBondContact O-CA 3.13Å; I135-V271 HydrophobicContact CG1-CG2 4.49Å; A167-V271 CarbonylContact C-O 3.56Å; A167-V271 VanDerWaalsContact CA-O 3.32Å; A167-V271 WeakPolarHBondContact CA-O 3.28Å; T168-V271 PolarHBondContact N-O 3.25Å; T168-V271 PolarHBondContact O-N 2.89Å; F269-V271 HydrophobicContact CD2-CG2 3.67Å; F269-V271 HydrophobicContact CE2-CG2 3.58Å |
| 272 | V | 89.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.5 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | E133 I134 I154 V164 A167 V228 F232 L270 | E133-V272 CarbonylContact C-O 3.53Å; E133-V272 WeakPolarHBondContact CA-O 2.93Å; I134-V272 HydrophobicContact CB-CB 4.27Å; I134-V272 PolarHBondContact N-O 2.97Å; I134-V272 PolarHBondContact O-N 2.78Å; I154-V272 HydrophobicContact CG2-CG2 4.25Å; V164-V272 HydrophobicContact CB-CG1 4.44Å; V164-V272 HydrophobicContact CG1-CG1 3.78Å; V164-V272 HydrophobicContact CG2-CG1 3.93Å; A167-V272 HydrophobicContact CB-CG2 4.24Å; V228-V272 HydrophobicContact CG1-CG1 3.84Å; V228-V272 HydrophobicContact CG1-CG2 3.87Å; F232-V272 HydrophobicContact CE2-CG1 4.45Å; F232-V272 HydrophobicContact CZ-CG1 4.36Å; L270-V272 HydrophobicContact CD2-CG2 3.91Å; L270-V272 HydrophobicContact CG-CG2 3.86Å |
| 273 | R | 88 | Confident | 72.7 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.2 | 167.9 | -63.7 | 179.4 | 175.7 | -172.8 | -9.1 | 107.5 | S132 E133 T165 Q166 | S132-R273 WeakPolarHBondContact O-CA 3.32Å; E133-R273 HydrophobicContact CG-CG 4.36Å; E133-R273 IonicContact OE1-CZ 3.48Å; E133-R273 IonicContact OE1-NE 3.13Å; E133-R273 PolarHBondContact OE1-NE 3.14Å; E133-R273 IonicContact OE1-NH2 2.99Å; E133-R273 PolarHBondContact OE1-NH2 3.33Å; E133-R273 VanDerWaalsContact OE1-NH2 3.12Å; T165-R273 PolarHBondContact N-O 3.11Å; T165-R273 PolarHBondContact OG1-O 3.33Å; Q166-R273 HydrophobicContact CB-CB 4.21Å; Q166-R273 PolarHBondContact N-O 3.01Å; Q166-R273 VanDerWaalsContact N-O 3.15Å; Q166-R273 PolarHBondContact O-N 3.02Å |
| 274 | A | 84.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S131 S132 L162 Q163 V164 | S131-A274 CarbonylContact C-O 3.56Å; S131-A274 VanDerWaalsContact CA-O 3.32Å; S131-A274 WeakPolarHBondContact CA-O 3.44Å; S132-A274 PolarHBondContact N-O 2.96Å; S132-A274 PolarHBondContact O-N 2.78Å; L162-A274 HydrophobicContact CB-CB 3.96Å; L162-A274 HydrophobicContact CD1-CB 4.36Å; L162-A274 HydrophobicContact CD2-CB 4.43Å; L162-A274 HydrophobicContact CG-CB 4.49Å; Q163-A274 CarbonylContact O-C 3.59Å; Q163-A274 VanDerWaalsContact O-CA 3.26Å; Q163-A274 WeakPolarHBondContact O-CA 3.26Å; V164-A274 HydrophobicContact CG2-CB 4.33Å |
| 275 | R | 83.5 | Confident | 71 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 144.6 | 169.7 | 64.6 | -176 | -171.5 | 137.6 | 4.8 | 108.4 | E129 L162 Q163 T165 A277 | E129-R275 HydrophobicContact CB-CB 4.12Å; E129-R275 VanDerWaalsContact OE1-CD 3.28Å; E129-R275 WeakPolarHBondContact OE1-CD 2.93Å; E129-R275 IonicContact OE1-CZ 2.88Å; E129-R275 IonicContact OE1-NE 3.62Å; E129-R275 IonicContact OE1-NH1 3.34Å; E129-R275 PolarHBondContact OE1-NH1 3.02Å; E129-R275 VanDerWaalsContact OE2-CD 3.32Å; E129-R275 WeakPolarHBondContact OE2-CD 3.37Å; L162-R275 CarbonylContact C-O 3.58Å; Q163-R275 HydrophobicContact CB-CG 4.06Å; Q163-R275 PolarHBondContact N-O 3.23Å; Q163-R275 PolarHBondContact O-N 3.23Å; Q163-R275 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R275 VanDerWaalsContact OE1-NE 3.09Å; T165-R275 HydrophobicContact CG2-CB 4.07Å; T165-R275 HydrophobicContact CG2-CG 3.71Å; R275-A277 PolarHBondContact O-N 3.5Å; R275-A277 VanDerWaalsContact O-N 3.14Å |
| 276 | Q | 73.8 | Confident | 70.1 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 119.5 | 164.7 | -163.3 | 170.2 | 96.2 | 0 | 0 | 107.7 | E130 L162 D278 | E130-Q276 HydrophobicContact CB-CB 4.4Å; E130-Q276 PolarHBondContact O-N 3.48Å; E130-Q276 PolarHBondContact OE2-NE2 2.89Å; E130-Q276 PolarHBondContact OE2-OE1 3.48Å; L162-Q276 HydrophobicContact CD2-CB 4.41Å; Q276-D278 PolarHBondContact O-N 3.22Å |
| 277 | A | 63.9 | Low | 69.2 | Low | 30 Ų | 30 | 86 Ų | 86 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 127.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | N161 Q163 R275 G279 | N161-A277 HydrophobicContact CB-CB 4.33Å; N161-A277 VanDerWaalsContact O-CB 3.27Å; N161-A277 WeakPolarHBondContact O-CB 3.35Å; N161-A277 PolarHBondContact O-N 2.84Å; Q163-A277 HydrophobicContact CB-CB 4.21Å; R275-A277 PolarHBondContact O-N 3.5Å; R275-A277 VanDerWaalsContact O-N 3.14Å; A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.82Å |
| 278 | D | 59.3 | Low | 68.8 | Low | 144 Ų | 144 | 85.7 Ų | 85.7 | 77% | 0.77 | 40% | 0.396 | S | S | * | . | trans | -53.1 | 101.5 | 173.6 | -76.5 | -42.4 | 0 | 0 | 0 | 108.2 | Q276 K280 | Q276-D278 PolarHBondContact O-N 3.22Å; D278-K280 PolarHBondContact O-N 3.41Å | ||
| 279 | G | 49.6 | Very low | 68.5 | Low | 45 Ų | 45 | 89.2 Ų | 89.2 | 46% | 0.464 | 41% | 0.413 | S | S | . | . | trans | -57.4 | 110.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | A277 H281 R282 | A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.82Å; G279-H281 PolarHBondContact O-N 2.92Å; G279-R282 PolarHBondContact O-N 3.49Å; G279-R282 VanDerWaalsContact O-N 3.12Å | ||
| 280 | K | 47.7 | Very low | 68.2 | Low | 203 Ų | 203 | 88.7 Ų | 88.7 | 88% | 0.883 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.4 | 107.8 | 170.6 | -77.5 | -176.3 | 176.3 | -177.9 | 0 | 107.3 | D278 | D278-K280 PolarHBondContact O-N 3.41Š|
| 281 | H | 44.1 | Very low | 67.8 | Low | 168 Ų | 168 | 94.1 Ų | 94.1 | 78% | 0.778 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 61.8 | -179.1 | -56 | -84.8 | 0 | 0 | 0 | 115.8 | G279 I283 | G279-H281 PolarHBondContact O-N 2.92Å; H281-I283 HydrophobicContact CB-CG1 4.25Å; H281-I283 PolarHBondContact O-N 3.19Å; H281-I283 VanDerWaalsContact O-N 3.13Å |
| 282 | R | 44.5 | Very low | 67.2 | Low | 195 Ų | 195 | 97.2 Ų | 97.2 | 74% | 0.736 | 48% | 0.479 | S | S | * | . | trans | -72 | 95.9 | 130.3 | -169.7 | 174 | 144.7 | 135.6 | -4.6 | 104.4 | G279 R284 | G279-R282 PolarHBondContact O-N 3.49Å; G279-R282 VanDerWaalsContact O-N 3.12Å; R282-R284 HydrophobicContact CG-CG 4.26Å; R282-R284 PolarHBondContact O-N 3.16Å | ||
| 283 | I | 47.7 | Very low | 66.6 | Low | 123 Ų | 123 | 101.9 Ų | 101.9 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | trans | -60.3 | 84.5 | 163 | -58.7 | 172.6 | 0 | 0 | 0 | 104.5 | H281 K285 | H281-I283 HydrophobicContact CB-CG1 4.25Å; H281-I283 PolarHBondContact O-N 3.19Å; H281-I283 VanDerWaalsContact O-N 3.13Å; I283-K285 HydrophobicContact CG2-CG 3.73Å; I283-K285 PolarHBondContact O-N 3.35Å | ||
| 284 | R | 50 | Low | 66.1 | Low | 128 Ų | 128 | 98.5 Ų | 98.5 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | trans | -64.5 | 91.9 | 156.2 | -74.3 | -171.7 | -175.9 | -173.2 | 2.7 | 101.8 | E130 R282 R286 | E130-R284 IonicContact OE1-CZ 3.36Å; E130-R284 IonicContact OE1-NH1 2.9Å; E130-R284 PolarHBondContact OE1-NH1 3Å; E130-R284 IonicContact OE1-NH2 3.27Å; E130-R284 PolarHBondContact OE1-NH2 3.1Å; E130-R284 IonicContact OE2-NH2 3.46Å; R282-R284 HydrophobicContact CG-CG 4.26Å; R282-R284 PolarHBondContact O-N 3.16Å; R284-R286 PolarHBondContact O-N 3.45Å | ||
| 285 | K | 53.4 | Low | 66 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | trans | -56.3 | 109.8 | 170.1 | -76 | -173.9 | 179.5 | 175.9 | 0 | 104.4 | I283 P338 | I283-K285 HydrophobicContact CG2-CG 3.73Å; I283-K285 PolarHBondContact O-N 3.35Å; K285-P338 PolarHBondContact NZ-O 2.04Å | ||
| 286 | R | 59 | Low | 66 | Low | 228 Ų | 228 | 100.8 Ų | 100.8 | 86% | 0.86 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 141.6 | 170.9 | -63.2 | 179.6 | -171.7 | -178.4 | 0.9 | 106.1 | R284 L288 | R284-R286 PolarHBondContact O-N 3.45Å; R286-L288 PolarHBondContact O-N 3.45Å |
| 287 | G | 65.7 | Low | 66.7 | Low | 21 Ų | 21 | 98.6 Ų | 98.6 | 22% | 0.216 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -48.9 | 143.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | E289 | G287-E289 PolarHBondContact O-N 2.99Š|
| 288 | L | 79 | Confident | 67.8 | Low | 87 Ų | 87 | 97.4 Ų | 97.4 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.2 | 176.8 | -68.1 | 172.4 | 0 | 0 | 0 | 108.2 | R286 C298 R299 | R286-L288 PolarHBondContact O-N 3.45Å; L288-C298 HydrophobicContact CB-CB 3.88Å; L288-C298 CarbonylContact O-C 3.48Å; L288-C298 VanDerWaalsContact O-CA 3.24Å; L288-C298 WeakPolarHBondContact O-CA 3.47Å; L288-C298 VanDerWaalsContact O-CB 3.31Å; L288-C298 WeakPolarHBondContact O-CB 3.2Å; L288-R299 PolarHBondContact O-N 3.03Å |
| 289 | E | 84.4 | Confident | 69.2 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 138.4 | 167.9 | -63 | -66.7 | 137.3 | 0 | 0 | 107.9 | G287 D291 R299 Q301 | G287-E289 PolarHBondContact O-N 2.99Å; E289-D291 PolarHBondContact O-N 2.99Å; E289-R299 WeakPolarHBondContact CA-O 3.45Å; E289-R299 IonicContact OE1-CZ 3.1Å; E289-R299 IonicContact OE1-NE 2.73Å; E289-R299 PolarHBondContact OE1-NE 3.2Å; E289-R299 IonicContact OE1-NH2 3.25Å; E289-R299 PolarHBondContact OE1-NH2 2.65Å; E289-R299 IonicContact OE2-CZ 3.68Å; E289-R299 IonicContact OE2-NE 3.54Å; E289-R299 PolarHBondContact OE2-NE 3.39Å; E289-R299 IonicContact OE2-NH2 2.86Å; E289-R299 PolarHBondContact OE2-NH2 3.5Å; E289-Q301 PolarHBondContact OE2-NE2 3.5Å |
| 290 | C | 85.1 | Confident | 71.1 | Confident | 28 Ų | 28 | 93 Ų | 93 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | trans | -71.8 | 115.9 | 176 | -62 | 0 | 0 | 0 | 0 | 109.2 | C298 R299 Q300 | C290-C298 WeakPolarHBondContact CA-SG 3.43Å; C290-C298 HydrophobicContact CB-CB 4.01Å; C290-C298 WeakPolarHBondContact CB-SG 3.01Å; C290-C298 WeakPolarHBondContact SG-CB 3.36Å; C290-C298 CovalentContact SG-SG 2.02Å; C290-C298 PolarHBondContact SG-SG 3.22Å; C290-R299 PolarHBondContact N-O 3.41Å; C290-R299 VanDerWaalsContact SG-C 3.51Å; C290-Q300 HydrophobicContact CB-CB 4.34Å | ||
| 291 | D | 82.2 | Confident | 73 | Confident | 113 Ų | 113 | 88.4 Ų | 88.4 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | trans | -111.9 | 4.5 | 179 | 66.3 | -4.6 | 0 | 0 | 0 | 112.7 | E289 S293 | E289-D291 PolarHBondContact O-N 2.99Å; D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.46Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 3.23Å | ||
| 292 | G | 77.4 | Confident | 75.1 | Confident | 83 Ų | 83 | 82.9 Ų | 82.9 | 86% | 0.856 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 76.6 | -3.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 293 | S | 75.9 | Confident | 77.2 | Confident | 97 Ų | 97 | 77.9 Ų | 77.9 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -86.5 | -23.8 | -178.8 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | D291 | D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.46Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 3.23Å |
| 294 | S | 76.6 | Confident | 79.2 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | trans | -130.6 | 138.1 | -177.2 | 82.5 | 0 | 0 | 0 | 0 | 111.6 | L296 | S294-L296 PolarHBondContact O-N 3.16Š| ||
| 295 | S | 83.4 | Confident | 80.9 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | trans | -85 | 21.1 | 173.1 | 71 | 0 | 0 | 0 | 0 | 112.2 | N329 | S295-N329 WeakPolarHBondContact O-CB 3.22Å; S295-N329 PolarHBondContact O-N 3.01Å | ||
| 296 | L | 84.3 | Confident | 82.6 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -88.9 | 155.8 | -175.3 | -65.1 | 168.2 | 0 | 0 | 0 | 110 | S294 C298 P331 M334 | S294-L296 PolarHBondContact O-N 3.16Å; L296-C298 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact O-N 3.1Å; L296-C298 PolarHBondContact O-SG 3.46Å; L296-P331 HydrophobicContact CD2-CG 3.98Å; L296-M334 HydrophobicContact CD1-CE 3.21Å; L296-M334 HydrophobicContact CD1-SD 4.1Å; L296-M334 HydrophobicContact CD2-CE 3.62Å; L296-M334 HydrophobicContact CD2-CG 4.01Å; L296-M334 HydrophobicContact CD2-SD 3.92Å; L296-M334 HydrophobicContact CG-CE 3.99Å; L296-M334 HydrophobicContact CG-SD 4.45Å |
| 297 | C | 87.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -54.2 | 117.6 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 112 | E327 N329 C330 C366 | C297-E327 CarbonylContact C-O 3.6Å; C297-E327 WeakPolarHBondContact CA-O 3.36Å; C297-N329 PolarHBondContact N-O 3.3Å; C297-C330 WeakPolarHBondContact CB-SG 3.09Å; C297-C366 WeakPolarHBondContact CA-SG 3.24Å; C297-C366 HydrophobicContact CB-CB 3.68Å; C297-C366 WeakPolarHBondContact CB-SG 3.35Å; C297-C366 VanDerWaalsContact SG-CA 3.5Å; C297-C366 WeakPolarHBondContact SG-CB 3.35Å; C297-C366 CovalentContact SG-SG 2.04Å; C297-C366 PolarHBondContact SG-SG 2.84Å |
| 298 | C | 87.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 164.9 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | L288 C290 L296 C326 E327 | L288-C298 HydrophobicContact CB-CB 3.88Å; L288-C298 CarbonylContact O-C 3.48Å; L288-C298 VanDerWaalsContact O-CA 3.24Å; L288-C298 WeakPolarHBondContact O-CA 3.47Å; L288-C298 VanDerWaalsContact O-CB 3.31Å; L288-C298 WeakPolarHBondContact O-CB 3.2Å; C290-C298 WeakPolarHBondContact CA-SG 3.43Å; C290-C298 HydrophobicContact CB-CB 4.01Å; C290-C298 WeakPolarHBondContact CB-SG 3.01Å; C290-C298 WeakPolarHBondContact SG-CB 3.36Å; C290-C298 CovalentContact SG-SG 2.02Å; C290-C298 PolarHBondContact SG-SG 3.22Å; L296-C298 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact O-N 3.1Å; L296-C298 PolarHBondContact O-SG 3.46Å; C298-C326 WeakPolarHBondContact O-CA 3.43Å; C298-E327 PolarHBondContact N-O 3.12Å; C298-E327 PolarHBondContact O-N 3.13Å |
| 299 | R | 89.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 13% | 0.125 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.6 | 172.9 | -172.5 | -178.3 | 73.6 | 102.1 | 5.3 | 109.1 | L288 E289 C290 N324 V395 D396 C398 | L288-R299 PolarHBondContact O-N 3.03Å; E289-R299 WeakPolarHBondContact CA-O 3.45Å; E289-R299 IonicContact OE1-CZ 3.1Å; E289-R299 IonicContact OE1-NE 2.73Å; E289-R299 PolarHBondContact OE1-NE 3.2Å; E289-R299 IonicContact OE1-NH2 3.25Å; E289-R299 PolarHBondContact OE1-NH2 2.65Å; E289-R299 IonicContact OE2-CZ 3.68Å; E289-R299 IonicContact OE2-NE 3.54Å; E289-R299 PolarHBondContact OE2-NE 3.39Å; E289-R299 IonicContact OE2-NH2 2.86Å; E289-R299 PolarHBondContact OE2-NH2 3.5Å; C290-R299 PolarHBondContact N-O 3.41Å; C290-R299 VanDerWaalsContact SG-C 3.51Å; R299-N324 HydrophobicContact CG-CB 3.96Å; R299-N324 PolarHBondContact NH1-ND2 3.3Å; R299-N324 PolarHBondContact NH1-OD1 3.44Å; R299-V395 WeakPolarHBondContact CD-O 3.27Å; R299-V395 HydrophobicContact CG-CG1 4.32Å; R299-D396 VanDerWaalsContact CD-O 3.24Å; R299-D396 WeakPolarHBondContact CD-O 3.45Å; R299-C398 VanDerWaalsContact CA-SG 3.56Å |
| 300 | Q | 88.7 | Confident | 85.3 | Confident | 64 Ų | 64 | 57 Ų | 57 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.4 | 171.5 | -177.1 | 67.6 | 6.5 | 0 | 0 | 109.4 | C290 N324 Y325 | C290-Q300 HydrophobicContact CB-CB 4.34Å; Q300-N324 VanDerWaalsContact O-CA 3.31Å; Q300-N324 WeakPolarHBondContact O-CA 3.47Å; Q300-N324 VanDerWaalsContact O-CB 3.32Å; Q300-N324 WeakPolarHBondContact O-CB 3.31Å; Q300-Y325 HydrophobicContact CB-CD1 4.21Å; Q300-Y325 HydrophobicContact CB-CD2 4.32Å; Q300-Y325 HydrophobicContact CB-CE1 3.83Å; Q300-Y325 HydrophobicContact CB-CE2 3.95Å; Q300-Y325 HydrophobicContact CB-CG 4.44Å; Q300-Y325 HydrophobicContact CG-CD1 4.38Å; Q300-Y325 HydrophobicContact CG-CE1 3.58Å; Q300-Y325 HydrophobicContact CG-CE2 4.26Å; Q300-Y325 WeakPolarHBondContact CG-OH 3.27Å; Q300-Y325 PolarHBondContact N-O 3.3Å; Q300-Y325 PolarHBondContact O-N 3.08Å |
| 301 | Q | 88.8 | Confident | 85.5 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 130.2 | 176.2 | -69.8 | 177.7 | 36.5 | 0 | 0 | 110.7 | E289 N324 | E289-Q301 PolarHBondContact OE2-NE2 3.5Å; Q301-N324 WeakPolarHBondContact CA-OD1 3.37Å |
| 302 | F | 87.5 | Confident | 85.6 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | trans | -143 | 118.2 | 179.9 | -175.9 | -109.5 | 0 | 0 | 0 | 110.4 | F66 V70 I304 F322 G323 N324 Y325 | F66-F302 HydrophobicContact CD1-CZ 4.41Å; F66-F302 HydrophobicContact CE1-CD1 4.09Å; F66-F302 HydrophobicContact CE1-CD2 4.43Å; F66-F302 AromaticContact CE1-CE1 3.57Å; F66-F302 HydrophobicContact CE1-CE1 3.57Å; F66-F302 AromaticContact CE1-CE2 3.97Å; F66-F302 HydrophobicContact CE1-CE2 3.97Å; F66-F302 AromaticContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CE1-CZ 3.54Å; F66-F302 HydrophobicContact CZ-CD1 4.19Å; F66-F302 HydrophobicContact CZ-CE1 4.11Å; F66-F302 HydrophobicContact CZ-CZ 4.4Å; V70-F302 HydrophobicContact CG2-CE1 4.26Å; F302-I304 HydrophobicContact CD1-CD1 4.23Å; F302-I304 HydrophobicContact CD1-CG1 3.68Å; F302-I304 HydrophobicContact CE1-CD1 4.23Å; F302-I304 HydrophobicContact CE1-CG1 3.42Å; F302-I304 VanDerWaalsContact CE1-CG1 3.42Å; F302-I304 HydrophobicContact CZ-CG1 4.48Å; F302-F322 CarbonylContact O-C 3.45Å; F302-F322 WeakPolarHBondContact O-CA 3.32Å; F302-G323 CarbonylContact O-C 3.49Å; F302-G323 PolarHBondContact O-N 2.87Å; F302-N324 PolarHBondContact N-OD1 3.02Å; F302-Y325 HydrophobicContact CB-CD1 3.95Å; F302-Y325 HydrophobicContact CB-CE1 4.06Å; F302-Y325 HydrophobicContact CG-CE1 4.49Å | ||
| 303 | Y | 88.2 | Confident | 85.9 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.9 | 178.6 | -172.1 | -97.3 | 0 | 0 | 0 | 110.7 | D305 G320 F322 | Y303-D305 HydrophobicContact CD1-CB 4.31Å; Y303-D305 HydrophobicContact CE1-CB 3.96Å; Y303-G320 WeakPolarHBondContact OH-CA 3.31Å; Y303-G320 PolarHBondContact OH-O 2.97Å; Y303-F322 HydrophobicContact CD2-CD1 4.04Å; Y303-F322 AromaticContact CD2-CD2 3.91Å; Y303-F322 HydrophobicContact CD2-CD2 3.91Å; Y303-F322 AromaticContact CD2-CE1 3.95Å; Y303-F322 HydrophobicContact CD2-CE1 3.95Å; Y303-F322 AromaticContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CG 4.02Å; Y303-F322 AromaticContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CE2-CD2 4.4Å; Y303-F322 HydrophobicContact CE2-CE2 4.27Å; Y303-F322 HydrophobicContact CG-CE1 4.37Å |
| 304 | I | 89.1 | Confident | 86.3 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 107.3 | 176.5 | -62.5 | 158.8 | 0 | 0 | 0 | 107.7 | V70 F302 F306 I309 G320 Y321 | V70-I304 HydrophobicContact CG1-CD1 3.52Å; V70-I304 HydrophobicContact CG1-CG1 3.95Å; V70-I304 HydrophobicContact CG1-CG2 4.09Å; V70-I304 HydrophobicContact CG2-CD1 4.46Å; F302-I304 HydrophobicContact CD1-CD1 4.23Å; F302-I304 HydrophobicContact CD1-CG1 3.68Å; F302-I304 HydrophobicContact CE1-CD1 4.23Å; F302-I304 HydrophobicContact CE1-CG1 3.42Å; F302-I304 VanDerWaalsContact CE1-CG1 3.42Å; F302-I304 HydrophobicContact CZ-CG1 4.48Å; I304-F306 HydrophobicContact CG2-CD1 4.25Å; I304-F306 HydrophobicContact CG2-CE1 4.15Å; I304-I309 HydrophobicContact CG2-CD1 4.19Å; I304-G320 CarbonylContact O-C 3.49Å; I304-G320 WeakPolarHBondContact O-CA 3.49Å; I304-Y321 HydrophobicContact CB-CD1 4.18Å; I304-Y321 HydrophobicContact CB-CE1 3.98Å; I304-Y321 HydrophobicContact CD1-CE1 3.71Å; I304-Y321 HydrophobicContact CD1-CE2 4.13Å; I304-Y321 VanDerWaalsContact CD1-CZ 3.47Å; I304-Y321 WeakPolarHBondContact CD1-OH 3.25Å; I304-Y321 HydrophobicContact CG1-CE1 4.46Å; I304-Y321 HydrophobicContact CG2-CE1 4.14Å; I304-Y321 PolarHBondContact N-O 2.81Å; I304-Y321 PolarHBondContact O-N 2.9Å |
| 305 | D | 86.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.5 | 170.1 | -170.8 | -33.4 | 0 | 0 | 0 | 109.3 | Y303 R307 L308 I309 | Y303-D305 HydrophobicContact CD1-CB 4.31Å; Y303-D305 HydrophobicContact CE1-CB 3.96Å; D305-R307 PolarHBondContact O-N 3.26Å; D305-R307 WeakPolarHBondContact OD1-CA 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 WeakPolarHBondContact OD1-CG 3.43Å; D305-R307 IonicContact OD1-CZ 2.74Å; D305-R307 PolarHBondContact OD1-N 2.94Å; D305-R307 IonicContact OD1-NE 3.06Å; D305-R307 PolarHBondContact OD1-NE 3.37Å; D305-R307 VanDerWaalsContact OD1-NE 3.1Å; D305-R307 IonicContact OD1-NH2 2.79Å; D305-R307 IonicContact OD2-CZ 3.75Å; D305-R307 IonicContact OD2-NE 3.53Å; D305-R307 PolarHBondContact OD2-NE 3.34Å; D305-R307 IonicContact OD2-NH2 3.06Å; D305-R307 PolarHBondContact OD2-NH2 2.88Å; D305-L308 HydrophobicContact CB-CB 4.2Å; D305-L308 HydrophobicContact CB-CD1 3.85Å; D305-L308 HydrophobicContact CB-CG 3.82Å; D305-L308 PolarHBondContact O-N 2.66Å; D305-L308 VanDerWaalsContact O-N 3.09Å; D305-I309 PolarHBondContact O-N 3.26Å |
| 306 | F | 89.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.3 | -178.5 | -66.4 | -47.8 | 0 | 0 | 0 | 112.9 | I74 I304 I309 G310 W311 N312 I315 P318 S319 Y321 M376 | I74-F306 HydrophobicContact CD1-CE1 3.91Å; I304-F306 HydrophobicContact CG2-CD1 4.25Å; I304-F306 HydrophobicContact CG2-CE1 4.15Å; F306-I309 HydrophobicContact CD1-CD1 3.78Å; F306-I309 HydrophobicContact CD1-CG1 4.39Å; F306-I309 HydrophobicContact CE1-CD1 4.38Å; F306-G310 PolarHBondContact O-N 3.32Å; F306-W311 HydrophobicContact CB-CB 4.46Å; F306-W311 PolarHBondContact O-N 2.81Å; F306-N312 PolarHBondContact O-N 3.32Å; F306-I315 HydrophobicContact CD1-CD1 3.84Å; F306-I315 HydrophobicContact CD2-CB 4.28Å; F306-I315 HydrophobicContact CD2-CD1 4.27Å; F306-I315 HydrophobicContact CD2-CG2 3.67Å; F306-I315 HydrophobicContact CE1-CD1 3.78Å; F306-I315 HydrophobicContact CE2-CD1 4.2Å; F306-I315 HydrophobicContact CE2-CG2 3.71Å; F306-I315 HydrophobicContact CG-CD1 4.1Å; F306-I315 HydrophobicContact CG-CG2 4.36Å; F306-I315 HydrophobicContact CZ-CD1 3.97Å; F306-I315 HydrophobicContact CZ-CG2 4.44Å; F306-P318 HydrophobicContact CD2-CG 4.46Å; F306-P318 WeakPolarHBondContact CD2-O 3.34Å; F306-P318 HydrophobicContact CE2-CG 3.8Å; F306-S319 PolarHBondContact N-O 2.86Å; F306-Y321 HydrophobicContact CE1-CD1 4.02Å; F306-Y321 AromaticContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE2-CD1 4.17Å; F306-Y321 AromaticContact CZ-CD1 3.47Å; F306-Y321 HydrophobicContact CZ-CD1 3.47Å; F306-Y321 VanDerWaalsContact CZ-CD1 3.47Å; F306-Y321 AromaticContact CZ-CE1 3.62Å; F306-Y321 HydrophobicContact CZ-CE1 3.62Å; F306-M376 HydrophobicContact CE2-CE 4.12Å; F306-M376 HydrophobicContact CZ-CE 3.74Å |
| 307 | R | 86.3 | Confident | 86.5 | Confident | 134 Ų | 134 | 43.3 Ų | 43.3 | 51% | 0.506 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -39.5 | 174 | -57.1 | 173.4 | -65.3 | 175.7 | 3 | 111.4 | D305 I309 G310 N312 | D305-R307 PolarHBondContact O-N 3.26Å; D305-R307 WeakPolarHBondContact OD1-CA 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.43Å; D305-R307 WeakPolarHBondContact OD1-CG 3.43Å; D305-R307 IonicContact OD1-CZ 2.74Å; D305-R307 PolarHBondContact OD1-N 2.94Å; D305-R307 IonicContact OD1-NE 3.06Å; D305-R307 PolarHBondContact OD1-NE 3.37Å; D305-R307 VanDerWaalsContact OD1-NE 3.1Å; D305-R307 IonicContact OD1-NH2 2.79Å; D305-R307 IonicContact OD2-CZ 3.75Å; D305-R307 IonicContact OD2-NE 3.53Å; D305-R307 PolarHBondContact OD2-NE 3.34Å; D305-R307 IonicContact OD2-NH2 3.06Å; D305-R307 PolarHBondContact OD2-NH2 2.88Å; R307-I309 VanDerWaalsContact C-N 3.3Å; R307-I309 PolarHBondContact O-N 2.76Å; R307-G310 PolarHBondContact O-N 2.02Å; R307-G310 VanDerWaalsContact O-N 3.12Å; R307-N312 HydrophobicContact CB-CB 4.34Å; R307-N312 HydrophobicContact CG-CB 3.67Å |
| 308 | L | 84.9 | Confident | 86.4 | Confident | 146 Ų | 146 | 43 Ų | 43 | 76% | 0.764 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32.1 | -179.8 | -64.9 | -179 | 0 | 0 | 0 | 111.9 | D305 G310 | D305-L308 HydrophobicContact CB-CB 4.2Å; D305-L308 HydrophobicContact CB-CD1 3.85Å; D305-L308 HydrophobicContact CB-CG 3.82Å; D305-L308 PolarHBondContact O-N 2.66Å; D305-L308 VanDerWaalsContact O-N 3.09Å; L308-G310 VanDerWaalsContact C-N 3.3Å |
| 309 | I | 87.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.1 | 174.7 | 79.2 | 178.7 | 0 | 0 | 0 | 113.1 | L67 K71 I74 I304 D305 F306 R307 W311 | L67-I309 HydrophobicContact CD1-CG2 3.58Å; L67-I309 HydrophobicContact CG-CG2 4.39Å; K71-I309 HydrophobicContact CG-CD1 4.48Å; I74-I309 HydrophobicContact CD1-CD1 4.14Å; I304-I309 HydrophobicContact CG2-CD1 4.19Å; D305-I309 PolarHBondContact O-N 3.26Å; F306-I309 HydrophobicContact CD1-CD1 3.78Å; F306-I309 HydrophobicContact CD1-CG1 4.39Å; F306-I309 HydrophobicContact CE1-CD1 4.38Å; R307-I309 VanDerWaalsContact C-N 3.3Å; R307-I309 PolarHBondContact O-N 2.76Å; I309-W311 HydrophobicContact CD1-CB 4.17Å; I309-W311 HydrophobicContact CD1-CD2 3.82Å; I309-W311 HydrophobicContact CD1-CE3 3.85Å; I309-W311 HydrophobicContact CD1-CG 3.95Å; I309-W311 HydrophobicContact CG1-CB 3.85Å; I309-W311 HydrophobicContact CG1-CD2 4.18Å; I309-W311 HydrophobicContact CG1-CG 3.79Å |
| 310 | G | 86.4 | Confident | 86.1 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 30 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R83 F306 R307 L308 | R83-G310 VanDerWaalsContact CZ-O 3.3Å; R83-G310 PolarHBondContact NH1-O 3.48Å; R83-G310 PolarHBondContact NH2-O 2.88Å; F306-G310 PolarHBondContact O-N 3.32Å; R307-G310 PolarHBondContact O-N 2.02Å; R307-G310 VanDerWaalsContact O-N 3.12Å; L308-G310 VanDerWaalsContact C-N 3.3Å |
| 311 | W | 89.9 | Confident | 86 | Confident | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -110.4 | 6.5 | -177.3 | -76 | 18.1 | 0 | 0 | 0 | 113.7 | K71 I74 L75 F306 I309 D313 W314 I315 | K71-W311 HydrophobicContact CB-CH2 3.66Å; K71-W311 HydrophobicContact CB-CZ2 3.55Å; K71-W311 HydrophobicContact CD-CZ2 3.95Å; K71-W311 HydrophobicContact CG-CH2 3.93Å; K71-W311 HydrophobicContact CG-CZ2 3.52Å; K71-W311 VanDerWaalsContact O-CH2 3.31Å; K71-W311 WeakPolarHBondContact O-CH2 3.5Å; I74-W311 HydrophobicContact CB-CH2 4.36Å; I74-W311 HydrophobicContact CB-CZ3 3.71Å; I74-W311 HydrophobicContact CD1-CE3 4.23Å; I74-W311 HydrophobicContact CD1-CZ3 3.83Å; I74-W311 HydrophobicContact CG1-CZ3 4.4Å; I74-W311 HydrophobicContact CG2-CE3 4.36Å; I74-W311 HydrophobicContact CG2-CZ3 3.63Å; L75-W311 HydrophobicContact CD1-CH2 4.02Å; L75-W311 HydrophobicContact CD1-CZ2 4.29Å; L75-W311 HydrophobicContact CD2-CH2 4.18Å; L75-W311 HydrophobicContact CG-CH2 3.69Å; L75-W311 HydrophobicContact CG-CZ2 4.39Å; L75-W311 HydrophobicContact CG-CZ3 4.44Å; F306-W311 HydrophobicContact CB-CB 4.46Å; F306-W311 PolarHBondContact O-N 2.81Å; I309-W311 HydrophobicContact CD1-CB 4.17Å; I309-W311 HydrophobicContact CD1-CD2 3.82Å; I309-W311 HydrophobicContact CD1-CE3 3.85Å; I309-W311 HydrophobicContact CD1-CG 3.95Å; I309-W311 HydrophobicContact CG1-CB 3.85Å; I309-W311 HydrophobicContact CG1-CD2 4.18Å; I309-W311 HydrophobicContact CG1-CG 3.79Å; W311-D313 WeakPolarHBondContact CA-OD1 3.34Å; W311-D313 PolarHBondContact O-N 2.97Å; W311-W314 AromaticContact CD1-NE1 3.87Å; W311-W314 AromaticContact CD2-CZ2 3.88Å; W311-W314 HydrophobicContact CD2-CZ2 3.88Å; W311-W314 AromaticContact CD2-NE1 3.53Å; W311-W314 AromaticContact CE3-CE2 3.98Å; W311-W314 HydrophobicContact CE3-CH2 4.48Å; W311-W314 AromaticContact CE3-CZ2 3.43Å; W311-W314 HydrophobicContact CE3-CZ2 3.43Å; W311-W314 VanDerWaalsContact CE3-CZ2 3.43Å; W311-W314 AromaticContact CE3-NE1 3.95Å; W311-W314 AromaticContact CG-NE1 3.31Å; W311-W314 VanDerWaalsContact CG-NE1 3.31Å; W311-W314 HydrophobicContact CH2-CZ2 4.29Å; W311-W314 HydrophobicContact CZ3-CH2 4.45Å; W311-W314 AromaticContact CZ3-CZ2 3.65Å; W311-W314 HydrophobicContact CZ3-CZ2 3.65Å; W311-W314 PolarHBondContact O-N 3.33Å; W311-I315 HydrophobicContact CB-CD1 4.23Å; W311-I315 HydrophobicContact CE3-CD1 3.78Å; W311-I315 WeakPolarHBondContact O-CB 3.41Å; W311-I315 PolarHBondContact O-N 2.99Å | ||
| 312 | N | 83.4 | Confident | 86 | Confident | 89 Ų | 89 | 39.2 Ų | 39.2 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -1.9 | 178.3 | 68.1 | -82.3 | 0 | 0 | 0 | 114.3 | F306 R307 | F306-N312 PolarHBondContact O-N 3.32Å; R307-N312 HydrophobicContact CB-CB 4.34Å; R307-N312 HydrophobicContact CG-CB 3.67Å |
| 313 | D | 83.4 | Confident | 86 | Confident | 56 Ų | 56 | 37.3 Ų | 37.3 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -36.5 | 174.4 | 63.6 | -54.3 | 0 | 0 | 0 | 111.5 | R83 I86 W311 | R83-D313 IonicContact CZ-OD1 3.96Å; R83-D313 VanDerWaalsContact CZ-OD1 3.27Å; R83-D313 IonicContact CZ-OD2 3.79Å; R83-D313 IonicContact NE-OD1 3.39Å; R83-D313 IonicContact NE-OD2 2.83Å; R83-D313 PolarHBondContact NE-OD2 3.38Å; R83-D313 IonicContact NH1-OD1 3.8Å; R83-D313 IonicContact NH2-OD1 3.83Å; R83-D313 PolarHBondContact NH2-OD1 2.81Å; R83-D313 IonicContact NH2-OD2 2.93Å; R83-D313 PolarHBondContact NH2-OD2 2.99Å; I86-D313 WeakPolarHBondContact CD1-O 3.36Å; W311-D313 WeakPolarHBondContact CA-OD1 3.34Å; W311-D313 PolarHBondContact O-N 2.97Å |
| 314 | W | 85.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -28.2 | -176.8 | 75.7 | -83.2 | 0 | 0 | 0 | 114.1 | L75 L78 L80 R83 P84 I86 W311 Y378 F379 | L75-W314 HydrophobicContact CD2-CH2 4.34Å; L75-W314 HydrophobicContact CD2-CZ2 4.43Å; L78-W314 HydrophobicContact CD1-CH2 3.62Å; L78-W314 HydrophobicContact CD1-CZ3 4Å; L80-W314 HydrophobicContact CD1-CH2 3.8Å; L80-W314 HydrophobicContact CD1-CZ3 3.59Å; R83-W314 HydrophobicContact CG-CD2 4.45Å; R83-W314 HydrophobicContact CG-CG 4.24Å; P84-W314 HydrophobicContact CG-CD2 4.42Å; P84-W314 HydrophobicContact CG-CE3 3.92Å; P84-W314 HydrophobicContact CG-CZ3 4.26Å; I86-W314 HydrophobicContact CD1-CB 3.28Å; I86-W314 HydrophobicContact CG1-CB 3.96Å; W311-W314 AromaticContact CD1-NE1 3.87Å; W311-W314 AromaticContact CD2-CZ2 3.88Å; W311-W314 HydrophobicContact CD2-CZ2 3.88Å; W311-W314 AromaticContact CD2-NE1 3.53Å; W311-W314 AromaticContact CE3-CE2 3.98Å; W311-W314 HydrophobicContact CE3-CH2 4.48Å; W311-W314 AromaticContact CE3-CZ2 3.43Å; W311-W314 HydrophobicContact CE3-CZ2 3.43Å; W311-W314 VanDerWaalsContact CE3-CZ2 3.43Å; W311-W314 AromaticContact CE3-NE1 3.95Å; W311-W314 AromaticContact CG-NE1 3.31Å; W311-W314 VanDerWaalsContact CG-NE1 3.31Å; W311-W314 HydrophobicContact CH2-CZ2 4.29Å; W311-W314 HydrophobicContact CZ3-CH2 4.45Å; W311-W314 AromaticContact CZ3-CZ2 3.65Å; W311-W314 HydrophobicContact CZ3-CZ2 3.65Å; W311-W314 PolarHBondContact O-N 3.33Å; W314-Y378 HydrophobicContact CE3-CD2 4.06Å; W314-Y378 HydrophobicContact CE3-CG 4.36Å; W314-Y378 AromaticContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CE2 4.48Å; W314-Y378 HydrophobicContact CZ3-CG 4.04Å; W314-Y378 CarbonylContact O-C 3.52Å; W314-Y378 WeakPolarHBondContact O-CA 3.14Å; W314-Y378 WeakPolarHBondContact O-CB 3.32Å; W314-F379 PolarHBondContact O-N 3.49Å |
| 315 | I | 86 | Confident | 86.2 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 110.7 | 167.6 | -57.2 | 177.3 | 0 | 0 | 0 | 108 | F306 W311 M376 | F306-I315 HydrophobicContact CD1-CD1 3.84Å; F306-I315 HydrophobicContact CD2-CB 4.28Å; F306-I315 HydrophobicContact CD2-CD1 4.27Å; F306-I315 HydrophobicContact CD2-CG2 3.67Å; F306-I315 HydrophobicContact CE1-CD1 3.78Å; F306-I315 HydrophobicContact CE2-CD1 4.2Å; F306-I315 HydrophobicContact CE2-CG2 3.71Å; F306-I315 HydrophobicContact CG-CD1 4.1Å; F306-I315 HydrophobicContact CG-CG2 4.36Å; F306-I315 HydrophobicContact CZ-CD1 3.97Å; F306-I315 HydrophobicContact CZ-CG2 4.44Å; W311-I315 HydrophobicContact CB-CD1 4.23Å; W311-I315 HydrophobicContact CE3-CD1 3.78Å; W311-I315 WeakPolarHBondContact O-CB 3.41Å; W311-I315 PolarHBondContact O-N 2.99Å; I315-M376 HydrophobicContact CD1-CE 3.9Å; I315-M376 HydrophobicContact CG1-CE 4.49Å; I315-M376 HydrophobicContact CG2-CE 4.11Å |
| 316 | I | 80.8 | Confident | 86.4 | Confident | 33 Ų | 33 | 37 Ų | 37 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -41.5 | -175.9 | -56.2 | 166.4 | 0 | 0 | 0 | 110.2 | M95 V113 L377 F379 I385 | M95-I316 HydrophobicContact SD-CG2 4.2Å; V113-I316 HydrophobicContact CG2-CG2 4.27Å; I316-L377 HydrophobicContact CB-CB 4.48Å; I316-L377 HydrophobicContact CB-CD2 3.95Å; I316-L377 HydrophobicContact CB-CG 4.2Å; I316-L377 WeakPolarHBondContact CB-O 3.36Å; I316-L377 HydrophobicContact CD1-CD2 4.2Å; I316-L377 HydrophobicContact CD1-CG 4.2Å; I316-L377 HydrophobicContact CG2-CD2 3.8Å; I316-L377 PolarHBondContact N-O 2.9Å; I316-F379 HydrophobicContact CD1-CD2 3.94Å; I316-F379 HydrophobicContact CD1-CE1 4.24Å; I316-F379 HydrophobicContact CD1-CE2 3.56Å; I316-F379 HydrophobicContact CD1-CG 4.48Å; I316-F379 HydrophobicContact CD1-CZ 3.72Å; I316-F379 HydrophobicContact CG1-CD2 3.99Å; I316-F379 HydrophobicContact CG1-CE2 3.64Å; I316-F379 HydrophobicContact CG1-CZ 4.28Å; I316-I385 HydrophobicContact CD1-CD1 4.48Å; I316-I385 HydrophobicContact CD1-CG1 4.17Å; I316-I385 HydrophobicContact CD1-CG2 4.08Å |
| 317 | A | 80.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 146.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I115 L377 | I115-A317 HydrophobicContact CD1-CB 3.39Å; I115-A317 HydrophobicContact CG1-CB 3.95Å; A317-L377 HydrophobicContact CB-CB 4.24Å; A317-L377 PolarHBondContact N-O 3.25Å; A317-L377 VanDerWaalsContact N-O 3.15Å; A317-L377 PolarHBondContact O-N 3.11Å |
| 318 | P | 85.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | cis | -71.6 | -179.8 | -0.3 | 40.9 | -45.5 | 0 | 0 | 0 | 111.8 | L118 F306 G320 M374 | L118-P318 HydrophobicContact CD2-CB 3.89Å; L118-P318 HydrophobicContact CD2-CG 4.17Å; L118-P318 WeakPolarHBondContact O-CB 3.48Å; F306-P318 HydrophobicContact CD2-CG 4.46Å; F306-P318 WeakPolarHBondContact CD2-O 3.34Å; F306-P318 HydrophobicContact CE2-CG 3.8Å; P318-G320 WeakPolarHBondContact CB-O 3.46Å; P318-G320 WeakPolarHBondContact CG-O 3.32Å; P318-G320 PolarHBondContact O-N 3.35Å; P318-M374 HydrophobicContact CB-CE 4.03Å; P318-M374 HydrophobicContact CG-CE 3.41Å; P318-M374 VanDerWaalsContact CG-CE 3.41Å | ||
| 319 | S | 83.7 | Confident | 86.5 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 54% | 0.538 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -70.6 | -22.5 | 168.9 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | F306 | F306-S319 PolarHBondContact N-O 2.86Š|
| 320 | G | 85.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G120 Y303 I304 P318 | G120-G320 VanDerWaalsContact CA-O 3.29Å; G120-G320 WeakPolarHBondContact CA-O 3.44Å; Y303-G320 WeakPolarHBondContact OH-CA 3.31Å; Y303-G320 PolarHBondContact OH-O 2.97Å; I304-G320 CarbonylContact O-C 3.49Å; I304-G320 WeakPolarHBondContact O-CA 3.49Å; P318-G320 WeakPolarHBondContact CB-O 3.46Å; P318-G320 WeakPolarHBondContact CG-O 3.32Å; P318-G320 PolarHBondContact O-N 3.35Å |
| 321 | Y | 87.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 160.4 | -176.8 | 77.4 | -77.8 | 0 | 0 | 0 | 113.2 | I74 G120 I304 F306 G323 M374 M393 I394 | I74-Y321 HydrophobicContact CD1-CE1 4.47Å; I74-Y321 HydrophobicContact CG1-CE1 4.5Å; G120-Y321 WeakPolarHBondContact O-CA 3.3Å; I304-Y321 HydrophobicContact CB-CD1 4.18Å; I304-Y321 HydrophobicContact CB-CE1 3.98Å; I304-Y321 HydrophobicContact CD1-CE1 3.71Å; I304-Y321 HydrophobicContact CD1-CE2 4.13Å; I304-Y321 VanDerWaalsContact CD1-CZ 3.47Å; I304-Y321 WeakPolarHBondContact CD1-OH 3.25Å; I304-Y321 HydrophobicContact CG1-CE1 4.46Å; I304-Y321 HydrophobicContact CG2-CE1 4.14Å; I304-Y321 PolarHBondContact N-O 2.81Å; I304-Y321 PolarHBondContact O-N 2.9Å; F306-Y321 HydrophobicContact CE1-CD1 4.02Å; F306-Y321 AromaticContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE1-CE1 3.82Å; F306-Y321 HydrophobicContact CE2-CD1 4.17Å; F306-Y321 AromaticContact CZ-CD1 3.47Å; F306-Y321 HydrophobicContact CZ-CD1 3.47Å; F306-Y321 VanDerWaalsContact CZ-CD1 3.47Å; F306-Y321 AromaticContact CZ-CE1 3.62Å; F306-Y321 HydrophobicContact CZ-CE1 3.62Å; Y321-G323 VanDerWaalsContact CE2-CA 3.41Å; Y321-G323 PolarHBondContact O-N 2.92Å; Y321-G323 VanDerWaalsContact O-N 3.13Å; Y321-M374 WeakPolarHBondContact CB-SD 3.25Å; Y321-M374 HydrophobicContact CD1-SD 4.48Å; Y321-M374 HydrophobicContact CD2-SD 3.93Å; Y321-M374 HydrophobicContact CG-CE 4.45Å; Y321-M374 HydrophobicContact CG-SD 3.72Å; Y321-M393 HydrophobicContact CE1-CE 3.94Å; Y321-M393 HydrophobicContact CE2-CE 4.09Å; Y321-M393 HydrophobicContact CE2-CG 4.02Å; Y321-M393 VanDerWaalsContact CZ-CE 3.47Å; Y321-M393 WeakPolarHBondContact OH-CE 3.22Å; Y321-I394 HydrophobicContact CD2-CG1 3.93Å; Y321-I394 HydrophobicContact CE2-CG1 4.38Å |
| 322 | F | 87.9 | Confident | 84.8 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 86.2 | 173.1 | -73.7 | -79.3 | 0 | 0 | 0 | 111.8 | G120 F302 Y303 N324 I394 | G120-F322 WeakPolarHBondContact O-CD2 3.38Å; G120-F322 PolarHBondContact O-N 2.66Å; F302-F322 CarbonylContact O-C 3.45Å; F302-F322 WeakPolarHBondContact O-CA 3.32Å; Y303-F322 HydrophobicContact CD2-CD1 4.04Å; Y303-F322 AromaticContact CD2-CD2 3.91Å; Y303-F322 HydrophobicContact CD2-CD2 3.91Å; Y303-F322 AromaticContact CD2-CE1 3.95Å; Y303-F322 HydrophobicContact CD2-CE1 3.95Å; Y303-F322 AromaticContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CE2 3.82Å; Y303-F322 HydrophobicContact CD2-CG 4.02Å; Y303-F322 AromaticContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CD2-CZ 3.84Å; Y303-F322 HydrophobicContact CE2-CD2 4.4Å; Y303-F322 HydrophobicContact CE2-CE2 4.27Å; Y303-F322 HydrophobicContact CG-CE1 4.37Å; F322-N324 PolarHBondContact O-N 2.71Å; F322-N324 PolarHBondContact O-ND2 3.04Å; F322-I394 WeakPolarHBondContact O-CG2 3.25Å |
| 323 | G | 88 | Confident | 83.8 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | trans | -81 | 60.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F302 Y321 | F302-G323 CarbonylContact O-C 3.49Å; F302-G323 PolarHBondContact O-N 2.87Å; Y321-G323 VanDerWaalsContact CE2-CA 3.41Å; Y321-G323 PolarHBondContact O-N 2.92Å; Y321-G323 VanDerWaalsContact O-N 3.13Å | ||
| 324 | N | 90.5 | Very high | 82.6 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | trans | -54.9 | 154.7 | -179.3 | -43.2 | -60.8 | 0 | 0 | 0 | 110.9 | R299 Q300 Q301 F302 F322 V395 | R299-N324 HydrophobicContact CG-CB 3.96Å; R299-N324 PolarHBondContact NH1-ND2 3.3Å; R299-N324 PolarHBondContact NH1-OD1 3.44Å; Q300-N324 VanDerWaalsContact O-CA 3.31Å; Q300-N324 WeakPolarHBondContact O-CA 3.47Å; Q300-N324 VanDerWaalsContact O-CB 3.32Å; Q300-N324 WeakPolarHBondContact O-CB 3.31Å; Q301-N324 WeakPolarHBondContact CA-OD1 3.37Å; F302-N324 PolarHBondContact N-OD1 3.02Å; F322-N324 PolarHBondContact O-N 2.71Å; F322-N324 PolarHBondContact O-ND2 3.04Å; N324-V395 HydrophobicContact CB-CB 4.18Å; N324-V395 WeakPolarHBondContact CB-O 3.37Å; N324-V395 PolarHBondContact ND2-O 3.34Å; N324-V395 VanDerWaalsContact O-CB 3.27Å; N324-V395 WeakPolarHBondContact O-CB 3.45Å; N324-V395 WeakPolarHBondContact O-CG2 3.14Å | ||
| 325 | Y | 90.3 | Very high | 81 | Confident | 75 Ų | 75 | 37.7 Ų | 37.7 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 165 | 178.9 | 68.4 | -88.5 | 0 | 0 | 0 | 111.1 | F66 Q300 F302 E327 | F66-Y325 HydrophobicContact CZ-CD1 4.31Å; F66-Y325 HydrophobicContact CZ-CE1 4.26Å; Q300-Y325 HydrophobicContact CB-CD1 4.21Å; Q300-Y325 HydrophobicContact CB-CD2 4.32Å; Q300-Y325 HydrophobicContact CB-CE1 3.83Å; Q300-Y325 HydrophobicContact CB-CE2 3.95Å; Q300-Y325 HydrophobicContact CB-CG 4.44Å; Q300-Y325 HydrophobicContact CG-CD1 4.38Å; Q300-Y325 HydrophobicContact CG-CE1 3.58Å; Q300-Y325 HydrophobicContact CG-CE2 4.26Å; Q300-Y325 WeakPolarHBondContact CG-OH 3.27Å; Q300-Y325 PolarHBondContact N-O 3.3Å; Q300-Y325 PolarHBondContact O-N 3.08Å; F302-Y325 HydrophobicContact CB-CD1 3.95Å; F302-Y325 HydrophobicContact CB-CE1 4.06Å; F302-Y325 HydrophobicContact CG-CE1 4.49Å; Y325-E327 HydrophobicContact CD2-CB 4.31Å; Y325-E327 HydrophobicContact CE2-CB 3.91Å; Y325-E327 HydrophobicContact CE2-CG 4.43Å; Y325-E327 VanDerWaalsContact CE2-OE2 3.22Å; Y325-E327 WeakPolarHBondContact CE2-OE2 3.41Å; Y325-E327 PolarHBondContact OH-OE2 2.81Å |
| 326 | C | 90.7 | Very high | 79.3 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | C298 I367 P368 C398 | C298-C326 WeakPolarHBondContact O-CA 3.43Å; C326-I367 VanDerWaalsContact SG-C 3.51Å; C326-P368 VanDerWaalsContact SG-CA 3.55Å; C326-P368 VanDerWaalsContact SG-N 3.35Å; C326-C398 WeakPolarHBondContact CA-SG 3.34Å; C326-C398 HydrophobicContact CB-CB 3.76Å; C326-C398 WeakPolarHBondContact CB-SG 3.47Å; C326-C398 WeakPolarHBondContact SG-CB 3.32Å; C326-C398 CovalentContact SG-SG 2.03Å; C326-C398 PolarHBondContact SG-SG 2.86Å |
| 327 | E | 89.3 | Confident | 78.1 | Confident | 99 Ų | 99 | 40.1 Ų | 40.1 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.3 | -178.9 | -168.9 | 172.9 | 168 | 0 | 0 | 110.5 | C297 C298 Y325 C366 | C297-E327 CarbonylContact C-O 3.6Å; C297-E327 WeakPolarHBondContact CA-O 3.36Å; C298-E327 PolarHBondContact N-O 3.12Å; C298-E327 PolarHBondContact O-N 3.13Å; Y325-E327 HydrophobicContact CD2-CB 4.31Å; Y325-E327 HydrophobicContact CE2-CB 3.91Å; Y325-E327 HydrophobicContact CE2-CG 4.43Å; Y325-E327 VanDerWaalsContact CE2-OE2 3.22Å; Y325-E327 WeakPolarHBondContact CE2-OE2 3.41Å; Y325-E327 PolarHBondContact OH-OE2 2.81Å; E327-C366 PolarHBondContact O-SG 3.41Å |
| 328 | G | 88.1 | Confident | 76.6 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 106 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C366 | G328-C366 WeakPolarHBondContact O-CB 3.41Š|
| 329 | N | 85 | Confident | 75.2 | Confident | 110 Ų | 110 | 48 Ų | 48 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -97.5 | 146.7 | -171.6 | -66.1 | -20.2 | 0 | 0 | 0 | 111.5 | S295 C297 P331 | S295-N329 WeakPolarHBondContact O-CB 3.22Å; S295-N329 PolarHBondContact O-N 3.01Å; C297-N329 PolarHBondContact N-O 3.3Å; N329-P331 VanDerWaalsContact C-CD 3.48Å; N329-P331 WeakPolarHBondContact O-CD 3.44Å |
| 330 | C | 83.3 | Confident | 74.2 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.095 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 80.3 | 177.1 | -79.3 | 0 | 0 | 0 | 0 | 110.9 | C297 S364 C400 | C297-C330 WeakPolarHBondContact CB-SG 3.09Å; C330-S364 WeakPolarHBondContact CB-O 3.05Å; C330-C400 VanDerWaalsContact CA-SG 3.51Å; C330-C400 HydrophobicContact CB-CB 3.61Å; C330-C400 WeakPolarHBondContact CB-SG 3.35Å; C330-C400 WeakPolarHBondContact SG-CA 3.45Å; C330-C400 WeakPolarHBondContact SG-CB 3.27Å; C330-C400 CovalentContact SG-SG 2.03Å; C330-C400 PolarHBondContact SG-SG 3.32Å |
| 331 | P | 76.9 | Confident | 73.1 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | trans | -69.1 | 147 | -178 | 27.6 | -33.5 | 0 | 0 | 0 | 111.6 | L296 N329 Y333 M334 A335 | L296-P331 HydrophobicContact CD2-CG 3.98Å; N329-P331 VanDerWaalsContact C-CD 3.48Å; N329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-Y333 HydrophobicContact CB-CD1 3.91Å; P331-Y333 HydrophobicContact CB-CE1 3.4Å; P331-Y333 VanDerWaalsContact CB-CE1 3.4Å; P331-Y333 HydrophobicContact CG-CD1 4.22Å; P331-Y333 HydrophobicContact CG-CE1 3.56Å; P331-Y333 HydrophobicContact CG-CE2 3.9Å; P331-Y333 WeakPolarHBondContact CG-OH 3.19Å; P331-Y333 PolarHBondContact O-N 2.98Å; P331-M334 HydrophobicContact CG-CB 3.92Å; P331-M334 HydrophobicContact CG-CG 3.7Å; P331-M334 PolarHBondContact O-N 3.38Å; P331-A335 PolarHBondContact O-N 2.87Å | ||
| 332 | A | 67.5 | Low | 72.2 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 36.2 | -99.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | R353 M354 | A332-R353 VanDerWaalsContact CA-NH2 3.29Å; A332-R353 VanDerWaalsContact N-NH2 3.15Å; A332-R353 PolarHBondContact O-NH2 2.95Å; A332-M354 HydrophobicContact CB-SD 3.87Å; A332-M354 VanDerWaalsContact O-SD 3.34Å |
| 333 | Y | 62.6 | Low | 71.3 | Confident | 139 Ų | 139 | 48.7 Ų | 48.7 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -20.4 | -169.7 | 57.2 | -92.7 | 0 | 0 | 0 | 113.7 | P331 V337 | P331-Y333 HydrophobicContact CB-CD1 3.91Å; P331-Y333 HydrophobicContact CB-CE1 3.4Å; P331-Y333 VanDerWaalsContact CB-CE1 3.4Å; P331-Y333 HydrophobicContact CG-CD1 4.22Å; P331-Y333 HydrophobicContact CG-CE1 3.56Å; P331-Y333 HydrophobicContact CG-CE2 3.9Å; P331-Y333 WeakPolarHBondContact CG-OH 3.19Å; P331-Y333 PolarHBondContact O-N 2.98Å; Y333-V337 WeakPolarHBondContact O-CG2 3.05Å |
| 334 | M | 58.9 | Low | 70.6 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -31.7 | -178.6 | -81.3 | -104.8 | 169.6 | 0 | 0 | 112.7 | L296 P331 G336 V337 S340 | L296-M334 HydrophobicContact CD1-CE 3.21Å; L296-M334 HydrophobicContact CD1-SD 4.1Å; L296-M334 HydrophobicContact CD2-CE 3.62Å; L296-M334 HydrophobicContact CD2-CG 4.01Å; L296-M334 HydrophobicContact CD2-SD 3.92Å; L296-M334 HydrophobicContact CG-CE 3.99Å; L296-M334 HydrophobicContact CG-SD 4.45Å; P331-M334 HydrophobicContact CG-CB 3.92Å; P331-M334 HydrophobicContact CG-CG 3.7Å; P331-M334 PolarHBondContact O-N 3.38Å; M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.13Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 2.03Å; M334-S340 WeakPolarHBondContact O-CB 3.24Å |
| 335 | A | 52.3 | Low | 69.8 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P331 N350 C400 | P331-A335 PolarHBondContact O-N 2.87Å; A335-N350 HydrophobicContact CB-CB 3.99Å; A335-N350 WeakPolarHBondContact CB-ND2 3.37Å; A335-N350 VanDerWaalsContact CB-OD1 3.27Å; A335-N350 WeakPolarHBondContact CB-OD1 3.39Å; A335-N350 VanDerWaalsContact O-CB 3.31Å; A335-N350 WeakPolarHBondContact O-CB 3.04Å; A335-N350 PolarHBondContact O-ND2 2.71Å; A335-N350 VanDerWaalsContact O-ND2 3.1Å; A335-C400 HydrophobicContact CB-CB 4.09Å |
| 336 | G | 49.4 | Very low | 68.9 | Low | 40 Ų | 40 | 59.8 Ų | 59.8 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 1.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M334 | M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.13Å |
| 337 | V | 55.4 | Low | 68.2 | Low | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -77.1 | 127.4 | 177 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | Y333 M334 G339 S340 | Y333-V337 WeakPolarHBondContact O-CG2 3.05Å; M334-V337 WeakPolarHBondContact O-CB 3.49Å; M334-V337 PolarHBondContact O-N 2.03Å; V337-G339 PolarHBondContact O-N 3.43Å; V337-G339 VanDerWaalsContact O-N 3.11Å; V337-S340 PolarHBondContact O-N 2.87Å |
| 338 | P | 50.3 | Low | 67.5 | Low | 110 Ų | 110 | 57.5 Ų | 57.5 | 71% | 0.714 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 120 | 173.8 | -23.9 | 32.7 | 0 | 0 | 0 | 110.8 | K285 | K285-P338 PolarHBondContact NZ-O 2.04Š|
| 339 | G | 56.1 | Low | 67 | Low | 65 Ų | 65 | 60.6 Ų | 60.6 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -9.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V337 | V337-G339 PolarHBondContact O-N 3.43Å; V337-G339 VanDerWaalsContact O-N 3.11Å |
| 340 | S | 61.1 | Low | 66.3 | Low | 25 Ų | 25 | 55.5 Ų | 55.5 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -14.9 | 176 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | M334 V337 G399 C400 | M334-S340 WeakPolarHBondContact O-CB 3.24Å; V337-S340 PolarHBondContact O-N 2.87Å; S340-G399 CarbonylContact O-C 3.57Å; S340-C400 WeakPolarHBondContact O-CB 3.31Å; S340-C400 PolarHBondContact O-N 3.38Å |
| 341 | A | 63.3 | Low | 65.9 | Low | 28 Ų | 28 | 59.9 Ų | 59.9 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 132.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S343 T346 A347 C400 | A341-S343 VanDerWaalsContact C-N 3.27Å; A341-S343 PolarHBondContact O-N 3.1Å; A341-T346 HydrophobicContact CB-CG2 4.17Å; A341-A347 HydrophobicContact CB-CB 3.99Å; A341-C400 WeakPolarHBondContact CA-O 3.34Å |
| 342 | S | 68.6 | Low | 65.9 | Low | 40 Ų | 40 | 64.6 Ų | 64.6 | 28% | 0.28 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -67.6 | -24.2 | 179.6 | 64.9 | 0 | 0 | 0 | 0 | 114 | T346 C400 A401 | S342-T346 PolarHBondContact OG-OG1 2.79Å; S342-C400 PolarHBondContact N-O 3.25Å; S342-C400 PolarHBondContact OG-O 3.48Å; S342-A401 WeakPolarHBondContact OG-CA 3.37Å; S342-A401 VanDerWaalsContact OG-CB 3.25Å; S342-A401 WeakPolarHBondContact OG-CB 3.23Å |
| 343 | S | 70.5 | Confident | 66.2 | Low | 50 Ų | 50 | 64.9 Ų | 64.9 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -154.6 | 166.5 | -178.9 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | A341 H345 T346 A347 | A341-S343 VanDerWaalsContact C-N 3.27Å; A341-S343 PolarHBondContact O-N 3.1Å; S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact OG-N 3.28Å; S343-T346 WeakPolarHBondContact O-CB 3.3Å; S343-T346 PolarHBondContact O-N 3.31Å; S343-T346 WeakPolarHBondContact OG-CB 3.27Å; S343-T346 PolarHBondContact OG-N 2.8Å; S343-T346 PolarHBondContact OG-OG1 2.93Å; S343-A347 PolarHBondContact O-N 3.21Å |
| 344 | F | 72.9 | Confident | 66.5 | Low | 162 Ų | 162 | 63.4 Ų | 63.4 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 171.8 | -179.2 | -98.2 | 0 | 0 | 0 | 111.9 | T346 A347 V348 | F344-T346 VanDerWaalsContact C-N 3.33Å; F344-T346 PolarHBondContact O-N 3.28Å; F344-A347 WeakPolarHBondContact O-CB 3.28Å; F344-A347 PolarHBondContact O-N 3.39Å; F344-V348 HydrophobicContact CD1-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 3.62Å; F344-V348 HydrophobicContact CE2-CG2 4.29Å; F344-V348 HydrophobicContact CZ-CG2 3.75Å; F344-V348 WeakPolarHBondContact O-CG2 3.44Å; F344-V348 PolarHBondContact O-N 3.46Å |
| 345 | H | 72.9 | Confident | 67.4 | Low | 151 Ų | 151 | 69.2 Ų | 69.2 | 70% | 0.699 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 176.4 | -77 | -76.1 | 0 | 0 | 0 | 111.5 | S343 A347 V348 V349 | S343-H345 VanDerWaalsContact C-N 3.33Å; S343-H345 PolarHBondContact OG-N 3.28Å; H345-A347 PolarHBondContact O-N 2.89Å; H345-V348 PolarHBondContact O-N 3.47Å; H345-V349 VanDerWaalsContact O-CG2 3.31Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.47Å |
| 346 | T | 72.5 | Confident | 68.3 | Low | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 174.1 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | A341 S342 S343 F344 V348 V349 N350 C400 A401 | A341-T346 HydrophobicContact CB-CG2 4.17Å; S342-T346 PolarHBondContact OG-OG1 2.79Å; S343-T346 WeakPolarHBondContact O-CB 3.3Å; S343-T346 PolarHBondContact O-N 3.31Å; S343-T346 WeakPolarHBondContact OG-CB 3.27Å; S343-T346 PolarHBondContact OG-N 2.8Å; S343-T346 PolarHBondContact OG-OG1 2.93Å; F344-T346 VanDerWaalsContact C-N 3.33Å; F344-T346 PolarHBondContact O-N 3.28Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.4Å; T346-V349 PolarHBondContact O-N 2.82Å; T346-N350 VanDerWaalsContact CG2-ND2 3.28Å; T346-N350 WeakPolarHBondContact CG2-ND2 3.29Å; T346-N350 WeakPolarHBondContact O-CB 3.31Å; T346-N350 PolarHBondContact O-N 3.28Å; T346-N350 PolarHBondContact O-ND2 2.91Å; T346-C400 WeakPolarHBondContact CG2-O 3.44Å; T346-A401 WeakPolarHBondContact CG2-OXT 3.35Å |
| 347 | A | 74.6 | Confident | 69.3 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A341 S343 F344 H345 N350 Q351 | A341-A347 HydrophobicContact CB-CB 3.99Å; S343-A347 PolarHBondContact O-N 3.21Å; F344-A347 WeakPolarHBondContact O-CB 3.28Å; F344-A347 PolarHBondContact O-N 3.39Å; H345-A347 PolarHBondContact O-N 2.89Å; A347-N350 PolarHBondContact O-N 2.95Å; A347-Q351 PolarHBondContact O-N 3.11Å |
| 348 | V | 76.4 | Confident | 69.7 | Low | 46 Ų | 46 | 76.1 Ų | 76.1 | 28% | 0.279 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F344 H345 T346 N350 Q351 Y352 | F344-V348 HydrophobicContact CD1-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 3.62Å; F344-V348 HydrophobicContact CE2-CG2 4.29Å; F344-V348 HydrophobicContact CZ-CG2 3.75Å; F344-V348 WeakPolarHBondContact O-CG2 3.44Å; F344-V348 PolarHBondContact O-N 3.46Å; H345-V348 PolarHBondContact O-N 3.47Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.4Å; V348-N350 VanDerWaalsContact C-N 3.27Å; V348-N350 PolarHBondContact O-N 2.81Å; V348-Q351 WeakPolarHBondContact O-CB 3.43Å; V348-Q351 PolarHBondContact O-N 3.36Å; V348-Y352 HydrophobicContact CG1-CD2 3.92Å; V348-Y352 HydrophobicContact CG1-CE2 3.63Å; V348-Y352 VanDerWaalsContact O-CD2 3.23Å; V348-Y352 WeakPolarHBondContact O-CD2 3.02Å; V348-Y352 PolarHBondContact O-N 2.91Å; V348-Y352 VanDerWaalsContact O-N 3.12Å |
| 349 | V | 75.9 | Confident | 70 | Confident | 92 Ų | 92 | 76 Ų | 76 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58 | -41.9 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | H345 T346 Q351 Y352 R353 | H345-V349 VanDerWaalsContact O-CG2 3.31Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.47Å; T346-V349 PolarHBondContact O-N 2.82Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.49Å; V349-Y352 PolarHBondContact O-N 3.47Å; V349-R353 PolarHBondContact O-N 3.44Å |
| 350 | N | 71.3 | Confident | 70.2 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.016 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 176.7 | -78.4 | -56.3 | 0 | 0 | 0 | 113.4 | A335 T346 A347 V348 R353 M354 | A335-N350 HydrophobicContact CB-CB 3.99Å; A335-N350 WeakPolarHBondContact CB-ND2 3.37Å; A335-N350 VanDerWaalsContact CB-OD1 3.27Å; A335-N350 WeakPolarHBondContact CB-OD1 3.39Å; A335-N350 VanDerWaalsContact O-CB 3.31Å; A335-N350 WeakPolarHBondContact O-CB 3.04Å; A335-N350 PolarHBondContact O-ND2 2.71Å; A335-N350 VanDerWaalsContact O-ND2 3.1Å; T346-N350 VanDerWaalsContact CG2-ND2 3.28Å; T346-N350 WeakPolarHBondContact CG2-ND2 3.29Å; T346-N350 WeakPolarHBondContact O-CB 3.31Å; T346-N350 PolarHBondContact O-N 3.28Å; T346-N350 PolarHBondContact O-ND2 2.91Å; A347-N350 PolarHBondContact O-N 2.95Å; V348-N350 VanDerWaalsContact C-N 3.27Å; V348-N350 PolarHBondContact O-N 2.81Å; N350-R353 WeakPolarHBondContact O-CB 3.01Å; N350-R353 PolarHBondContact O-N 2.03Å; N350-R353 PolarHBondContact OD1-NE 3.37Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; N350-M354 WeakPolarHBondContact O-CG 3.45Å; N350-M354 PolarHBondContact O-N 3.04Å |
| 351 | Q | 75 | Confident | 70.2 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.2 | -172.7 | 174.3 | -5 | 0 | 0 | 112.1 | A347 V348 V349 R355 | A347-Q351 PolarHBondContact O-N 3.11Å; V348-Q351 WeakPolarHBondContact O-CB 3.43Å; V348-Q351 PolarHBondContact O-N 3.36Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.49Å; Q351-R355 WeakPolarHBondContact O-CG 3.43Å; Q351-R355 PolarHBondContact O-N 3.06Å |
| 352 | Y | 76.3 | Confident | 70.3 | Confident | 131 Ų | 131 | 84.9 Ų | 84.9 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 172.4 | -78.4 | -80.7 | 0 | 0 | 0 | 112 | V348 V349 R355 G356 M357 | V348-Y352 HydrophobicContact CG1-CD2 3.92Å; V348-Y352 HydrophobicContact CG1-CE2 3.63Å; V348-Y352 VanDerWaalsContact O-CD2 3.23Å; V348-Y352 WeakPolarHBondContact O-CD2 3.02Å; V348-Y352 PolarHBondContact O-N 2.91Å; V348-Y352 VanDerWaalsContact O-N 3.12Å; V349-Y352 PolarHBondContact O-N 3.47Å; Y352-R355 PolarHBondContact O-N 2.93Å; Y352-G356 PolarHBondContact O-N 3.22Å; Y352-M357 HydrophobicContact CD1-CB 4.42Å; Y352-M357 HydrophobicContact CD1-SD 4.06Å; Y352-M357 PolarHBondContact O-N 3.02Å; Y352-M357 VanDerWaalsContact O-N 3.14Å |
| 353 | R | 73.1 | Confident | 70.3 | Confident | 43 Ų | 43 | 89.7 Ų | 89.7 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.8 | -171.8 | 172.5 | 66.2 | 109.7 | 1.6 | 112.4 | A332 V349 N350 R355 G356 | A332-R353 VanDerWaalsContact CA-NH2 3.29Å; A332-R353 VanDerWaalsContact N-NH2 3.15Å; A332-R353 PolarHBondContact O-NH2 2.95Å; V349-R353 PolarHBondContact O-N 3.44Å; N350-R353 WeakPolarHBondContact O-CB 3.01Å; N350-R353 PolarHBondContact O-N 2.03Å; N350-R353 PolarHBondContact OD1-NE 3.37Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; R353-R355 PolarHBondContact O-N 3.36Å; R353-G356 PolarHBondContact O-N 3Å |
| 354 | M | 70.6 | Confident | 70.7 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -25 | 176.3 | -73.3 | -63.1 | -69.4 | 0 | 0 | 113.1 | A332 N350 G356 | A332-M354 HydrophobicContact CB-SD 3.87Å; A332-M354 VanDerWaalsContact O-SD 3.34Å; N350-M354 WeakPolarHBondContact O-CG 3.45Å; N350-M354 PolarHBondContact O-N 3.04Å; M354-G356 VanDerWaalsContact C-N 3.3Å |
| 355 | R | 76.9 | Confident | 71.2 | Confident | 160 Ų | 160 | 84 Ų | 84 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | 175 | -70 | 179.6 | 173.9 | 180 | -1.2 | 113.7 | Q351 Y352 R353 M357 | Q351-R355 WeakPolarHBondContact O-CG 3.43Å; Q351-R355 PolarHBondContact O-N 3.06Å; Y352-R355 PolarHBondContact O-N 2.93Å; R353-R355 PolarHBondContact O-N 3.36Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 HydrophobicContact CB-CE 4.25Å; R355-M357 HydrophobicContact CB-CG 4.26Å; R355-M357 HydrophobicContact CB-SD 3.64Å; R355-M357 PolarHBondContact O-N 3.46Å |
| 356 | G | 70.3 | Confident | 71.9 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 70% | 0.701 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y352 R353 M354 S358 | Y352-G356 PolarHBondContact O-N 3.22Å; R353-G356 PolarHBondContact O-N 3Å; M354-G356 VanDerWaalsContact C-N 3.3Å; G356-S358 VanDerWaalsContact C-N 3.29Å; G356-S358 PolarHBondContact O-N 3.13Å |
| 357 | M | 71.1 | Confident | 72.7 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | trans | -94.5 | 19.7 | -176.9 | -63.5 | 155.4 | 169.7 | 0 | 0 | 112.2 | Y352 R355 | Y352-M357 HydrophobicContact CD1-CB 4.42Å; Y352-M357 HydrophobicContact CD1-SD 4.06Å; Y352-M357 PolarHBondContact O-N 3.02Å; Y352-M357 VanDerWaalsContact O-N 3.14Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 HydrophobicContact CB-CE 4.25Å; R355-M357 HydrophobicContact CB-CG 4.26Å; R355-M357 HydrophobicContact CB-SD 3.64Å; R355-M357 PolarHBondContact O-N 3.46Å | ||
| 358 | S | 64 | Low | 73.4 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | trans | -82.4 | 132.9 | -172.7 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | G356 G360 | G356-S358 VanDerWaalsContact C-N 3.29Å; G356-S358 PolarHBondContact O-N 3.13Å; S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 PolarHBondContact OG-O 3.19Å; S358-G360 VanDerWaalsContact OG-O 3.08Å | ||
| 359 | P | 56.8 | Low | 73.8 | Confident | 108 Ų | 108 | 82 Ų | 82 | 70% | 0.701 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -74 | 88.5 | 163.9 | 30.3 | -29 | 0 | 0 | 0 | 109.3 | ||
| 360 | G | 60.7 | Low | 74.3 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 60% | 0.598 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 76.5 | -174.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | S358 M362 | S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 PolarHBondContact OG-O 3.19Å; S358-G360 VanDerWaalsContact OG-O 3.08Å; G360-M362 PolarHBondContact O-N 3.06Å |
| 361 | S | 60.9 | Low | 75 | Confident | 117 Ų | 117 | 84.5 Ų | 84.5 | 82% | 0.818 | 47% | 0.474 | S | S | * | . | trans | -78.1 | 76.3 | -175.7 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 362 | M | 64.2 | Low | 75.4 | Confident | 129 Ų | 129 | 80.4 Ų | 80.4 | 64% | 0.635 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 116.2 | 167.1 | -63.8 | -159.3 | 177.2 | 0 | 0 | 109.7 | G360 | G360-M362 PolarHBondContact O-N 3.06Š|
| 363 | N | 69.7 | Low | 75.8 | Confident | 140 Ų | 140 | 77.3 Ų | 77.3 | 75% | 0.749 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 137.5 | 175.5 | -68.9 | -21.1 | 0 | 0 | 0 | 109.7 | ||
| 364 | S | 77.6 | Confident | 76.2 | Confident | 17 Ų | 17 | 75.8 Ų | 75.8 | 12% | 0.119 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 144.6 | 171.2 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | C330 A401 | C330-S364 WeakPolarHBondContact CB-O 3.05Å; S364-A401 CarbonylContact C-O 3.48Å; S364-A401 WeakPolarHBondContact CA-O 3.39Å; S364-A401 VanDerWaalsContact CB-O 3.3Å; S364-A401 WeakPolarHBondContact CB-O 3.43Å |
| 365 | C | 85.1 | Confident | 76.6 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | trans | -104.6 | 143.8 | 177.7 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | I367 C400 A401 | C365-I367 HydrophobicContact CB-CG2 4.04Å; C365-I367 PolarHBondContact O-N 2.92Å; C365-C400 WeakPolarHBondContact O-CA 3.33Å; C365-A401 PolarHBondContact N-O 2.97Å; C365-A401 PolarHBondContact O-N 3.1Å | ||
| 366 | C | 87.8 | Confident | 76.7 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115.2 | 169.7 | -172.3 | 0 | 0 | 0 | 0 | 109 | C297 E327 G328 | C297-C366 WeakPolarHBondContact CA-SG 3.24Å; C297-C366 HydrophobicContact CB-CB 3.68Å; C297-C366 WeakPolarHBondContact CB-SG 3.35Å; C297-C366 VanDerWaalsContact SG-CA 3.5Å; C297-C366 WeakPolarHBondContact SG-CB 3.35Å; C297-C366 CovalentContact SG-SG 2.04Å; C297-C366 PolarHBondContact SG-SG 2.84Å; E327-C366 PolarHBondContact O-SG 3.41Å; G328-C366 WeakPolarHBondContact O-CB 3.41Å |
| 367 | I | 88.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 61 Ų | 61 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.1 | -174.8 | 66.2 | 161 | 0 | 0 | 0 | 111.6 | C326 C365 T369 C398 G399 A401 | C326-I367 VanDerWaalsContact SG-C 3.51Å; C365-I367 HydrophobicContact CB-CG2 4.04Å; C365-I367 PolarHBondContact O-N 2.92Å; I367-T369 PolarHBondContact O-N 2.94Å; I367-C398 CarbonylContact O-C 3.39Å; I367-C398 WeakPolarHBondContact O-CA 3.4Å; I367-G399 PolarHBondContact N-O 3.42Å; I367-G399 PolarHBondContact O-N 3.44Å; I367-G399 VanDerWaalsContact O-O 3.11Å; I367-A401 HydrophobicContact CD1-CB 3.4Å; I367-A401 VanDerWaalsContact CD1-CB 3.4Å; I367-A401 HydrophobicContact CG1-CB 3.76Å |
| 368 | P | 89.1 | Confident | 77.7 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 127.7 | 168.6 | -22.1 | 33.6 | 0 | 0 | 0 | 111.1 | C326 L371 V395 | C326-P368 VanDerWaalsContact SG-CA 3.55Å; C326-P368 VanDerWaalsContact SG-N 3.35Å; P368-L371 HydrophobicContact CB-CD1 4.15Å; P368-L371 HydrophobicContact CB-CD2 3.95Å; P368-L371 HydrophobicContact CB-CG 4.04Å; P368-V395 HydrophobicContact CB-CG1 4.05Å; P368-V395 HydrophobicContact CB-CG2 4.06Å; P368-V395 HydrophobicContact CG-CG1 4.36Å; P368-V395 HydrophobicContact CG-CG2 3.87Å |
| 369 | T | 85.3 | Confident | 78.3 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -24.9 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | I367 E397 | I367-T369 PolarHBondContact O-N 2.94Å; T369-E397 PolarHBondContact N-O 3.31Å; T369-E397 PolarHBondContact OG1-O 3.27Å |
| 370 | K | 85.6 | Confident | 79.2 | Confident | 81 Ų | 81 | 50 Ų | 50 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.7 | 175.9 | -169.5 | -177.7 | 175.9 | -175.2 | 0 | 110.2 | D396 E397 | K370-D396 HydrophobicContact CB-CB 4.18Å; K370-D396 HydrophobicContact CD-CB 4.04Å; K370-D396 HydrophobicContact CG-CB 4.04Å; K370-D396 PolarHBondContact O-N 3.5Å; K370-E397 HydrophobicContact CB-CB 3.77Å; K370-E397 HydrophobicContact CB-CG 4.06Å; K370-E397 HydrophobicContact CD-CG 4.05Å; K370-E397 VanDerWaalsContact CD-OE1 3.3Å; K370-E397 WeakPolarHBondContact CD-OE1 3.44Å; K370-E397 PolarHBondContact N-O 3.33Å; K370-E397 IonicContact NZ-OE1 2.62Å; K370-E397 PolarHBondContact NZ-OE1 2.9Å; K370-E397 PolarHBondContact O-N 3.49Å |
| 371 | L | 85.8 | Confident | 79.9 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.7 | -179.5 | -64.6 | 141.5 | 0 | 0 | 0 | 109.3 | P368 N392 I394 V395 | P368-L371 HydrophobicContact CB-CD1 4.15Å; P368-L371 HydrophobicContact CB-CD2 3.95Å; P368-L371 HydrophobicContact CB-CG 4.04Å; L371-N392 HydrophobicContact CB-CB 3.57Å; L371-N392 HydrophobicContact CD1-CB 3.84Å; L371-N392 HydrophobicContact CD2-CB 4.31Å; L371-N392 HydrophobicContact CG-CB 4.1Å; L371-I394 CarbonylContact C-O 3.54Å; L371-I394 WeakPolarHBondContact CA-O 3.44Å; L371-V395 HydrophobicContact CD2-CB 4.41Å; L371-V395 HydrophobicContact CD2-CG2 3.7Å |
| 372 | S | 84.2 | Confident | 80.4 | Confident | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 152.3 | 175.8 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | M393 I394 D396 | S372-M393 PolarHBondContact O-N 3.45Å; S372-I394 PolarHBondContact N-O 3.35Å; S372-I394 PolarHBondContact O-N 3.4Å; S372-I394 VanDerWaalsContact OG-CB 3.3Å; S372-I394 WeakPolarHBondContact OG-CB 3.31Å; S372-I394 WeakPolarHBondContact OG-CG2 3.49Å; S372-D396 VanDerWaalsContact CB-OD2 3.25Å; S372-D396 WeakPolarHBondContact CB-OD2 2.95Å; S372-D396 PolarHBondContact OG-OD1 3.49Å; S372-D396 PolarHBondContact OG-OD2 3.07Å |
| 373 | T | 84.7 | Confident | 80.8 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 143.5 | 175.3 | -61 | 0 | 0 | 0 | 0 | 109.6 | D389 V390 P391 | T373-D389 HydrophobicContact CG2-CB 3.88Å; T373-V390 WeakPolarHBondContact CA-O 3.46Å; T373-V390 WeakPolarHBondContact CG2-O 3.47Å; T373-P391 WeakPolarHBondContact OG1-CA 3.06Å |
| 374 | M | 81.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.8 | 176.6 | -179.4 | 173 | -160 | 0 | 0 | 111.4 | L118 P318 Y321 V390 M393 I394 | L118-M374 HydrophobicContact CD2-CE 3.61Å; P318-M374 HydrophobicContact CB-CE 4.03Å; P318-M374 HydrophobicContact CG-CE 3.41Å; P318-M374 VanDerWaalsContact CG-CE 3.41Å; Y321-M374 WeakPolarHBondContact CB-SD 3.25Å; Y321-M374 HydrophobicContact CD1-SD 4.48Å; Y321-M374 HydrophobicContact CD2-SD 3.93Å; Y321-M374 HydrophobicContact CG-CE 4.45Å; Y321-M374 HydrophobicContact CG-SD 3.72Å; M374-V390 PolarHBondContact N-O 3.35Å; M374-V390 WeakPolarHBondContact O-CB 3.48Å; M374-V390 PolarHBondContact O-N 3.02Å; M374-M393 HydrophobicContact CB-CB 3.96Å; M374-M393 HydrophobicContact CB-CG 4.14Å; M374-I394 HydrophobicContact CB-CD1 4.13Å; M374-I394 HydrophobicContact CG-CD1 4.45Å; M374-I394 HydrophobicContact SD-CD1 4.09Å |
| 375 | S | 77.9 | Confident | 80.7 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.4 | 171 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L118 R388 D389 | L118-S375 WeakPolarHBondContact CD2-O 3.33Å; S375-R388 CarbonylContact C-O 3.55Å; S375-R388 WeakPolarHBondContact CA-O 3.46Å; S375-D389 WeakPolarHBondContact CA-OD1 2.96Å; S375-D389 VanDerWaalsContact CB-OD1 3.24Å; S375-D389 WeakPolarHBondContact CB-OD1 3.42Å; S375-D389 PolarHBondContact OG-OD1 3.4Å |
| 376 | M | 79.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.2 | 174.9 | -65.5 | -173.9 | 70.8 | 0 | 0 | 110.1 | I74 L78 F306 I315 Y378 K387 R388 V390 M393 | I74-M376 HydrophobicContact CG2-CE 4.42Å; L78-M376 HydrophobicContact CD1-CE 4.27Å; L78-M376 HydrophobicContact CD2-SD 4Å; F306-M376 HydrophobicContact CE2-CE 4.12Å; F306-M376 HydrophobicContact CZ-CE 3.74Å; I315-M376 HydrophobicContact CD1-CE 3.9Å; I315-M376 HydrophobicContact CG1-CE 4.49Å; I315-M376 HydrophobicContact CG2-CE 4.11Å; M376-Y378 HydrophobicContact CB-CD1 4.28Å; M376-K387 WeakPolarHBondContact O-CA 3.14Å; M376-R388 PolarHBondContact N-O 3.02Å; M376-R388 PolarHBondContact O-N 3.3Å; M376-V390 HydrophobicContact CB-CG2 4.15Å; M376-V390 HydrophobicContact CG-CG2 3.96Å; M376-V390 HydrophobicContact SD-CG2 3.87Å; M376-M393 HydrophobicContact SD-CE 4.08Å |
| 377 | L | 80.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.2 | 173.5 | -172.2 | 78.5 | 0 | 0 | 0 | 108.9 | L99 A104 I115 I316 A317 I385 V386 K387 | L99-L377 HydrophobicContact CD2-CD2 3.27Å; L99-L377 HydrophobicContact CG-CD2 4.44Å; A104-L377 HydrophobicContact CB-CD1 4.5Å; I115-L377 HydrophobicContact CD1-CB 4.1Å; I115-L377 HydrophobicContact CD1-CD2 4.12Å; I316-L377 HydrophobicContact CB-CB 4.48Å; I316-L377 HydrophobicContact CB-CD2 3.95Å; I316-L377 HydrophobicContact CB-CG 4.2Å; I316-L377 WeakPolarHBondContact CB-O 3.36Å; I316-L377 HydrophobicContact CD1-CD2 4.2Å; I316-L377 HydrophobicContact CD1-CG 4.2Å; I316-L377 HydrophobicContact CG2-CD2 3.8Å; I316-L377 PolarHBondContact N-O 2.9Å; A317-L377 HydrophobicContact CB-CB 4.24Å; A317-L377 PolarHBondContact N-O 3.25Å; A317-L377 VanDerWaalsContact N-O 3.15Å; A317-L377 PolarHBondContact O-N 3.11Å; L377-I385 HydrophobicContact CD1-CG2 3.57Å; L377-I385 HydrophobicContact CD2-CG2 4.38Å; L377-I385 HydrophobicContact CG-CG2 4.02Å; L377-V386 WeakPolarHBondContact CA-O 3.35Å; L377-K387 HydrophobicContact CD1-CB 3.8Å; L377-K387 HydrophobicContact CD1-CG 4.46Å |
| 378 | Y | 82.6 | Confident | 79.2 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 168.7 | -174.4 | 64.2 | -83 | 0 | 0 | 0 | 111.6 | L78 L80 W314 M376 V386 R388 | L78-Y378 HydrophobicContact CD2-CD1 4.19Å; L78-Y378 HydrophobicContact CD2-CE1 3.64Å; L80-Y378 HydrophobicContact CD1-CD2 4.41Å; L80-Y378 HydrophobicContact CD1-CE2 4.06Å; W314-Y378 HydrophobicContact CE3-CD2 4.06Å; W314-Y378 HydrophobicContact CE3-CG 4.36Å; W314-Y378 AromaticContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CD2 3.67Å; W314-Y378 HydrophobicContact CZ3-CE2 4.48Å; W314-Y378 HydrophobicContact CZ3-CG 4.04Å; W314-Y378 CarbonylContact O-C 3.52Å; W314-Y378 WeakPolarHBondContact O-CA 3.14Å; W314-Y378 WeakPolarHBondContact O-CB 3.32Å; M376-Y378 HydrophobicContact CB-CD1 4.28Å; Y378-V386 HydrophobicContact CE1-CB 4.4Å; Y378-V386 HydrophobicContact CE1-CG1 4.32Å; Y378-V386 HydrophobicContact CE2-CB 4.45Å; Y378-V386 PolarHBondContact N-O 3.32Å; Y378-V386 VanDerWaalsContact N-O 3.07Å; Y378-V386 PolarHBondContact O-N 3.27Å; Y378-R388 HydrophobicContact CE1-CB 4.22Å |
| 379 | F | 76.6 | Confident | 78.8 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.7 | 170.9 | -67.7 | -76.4 | 0 | 0 | 0 | 111.3 | P84 I86 V90 M95 W314 I316 N384 I385 | P84-F379 WeakPolarHBondContact CG-O 3.1Å; I86-F379 HydrophobicContact CD1-CB 3.7Å; I86-F379 HydrophobicContact CD1-CD2 3.36Å; I86-F379 HydrophobicContact CD1-CE2 4.15Å; I86-F379 HydrophobicContact CD1-CG 3.73Å; V90-F379 HydrophobicContact CB-CE1 4.26Å; V90-F379 HydrophobicContact CB-CZ 3.98Å; V90-F379 HydrophobicContact CG2-CD1 4.48Å; V90-F379 HydrophobicContact CG2-CE1 3.47Å; V90-F379 VanDerWaalsContact CG2-CE1 3.47Å; V90-F379 HydrophobicContact CG2-CZ 3.58Å; M95-F379 HydrophobicContact CE-CZ 4.1Å; W314-F379 PolarHBondContact O-N 3.49Å; I316-F379 HydrophobicContact CD1-CD2 3.94Å; I316-F379 HydrophobicContact CD1-CE1 4.24Å; I316-F379 HydrophobicContact CD1-CE2 3.56Å; I316-F379 HydrophobicContact CD1-CG 4.48Å; I316-F379 HydrophobicContact CD1-CZ 3.72Å; I316-F379 HydrophobicContact CG1-CD2 3.99Å; I316-F379 HydrophobicContact CG1-CE2 3.64Å; I316-F379 HydrophobicContact CG1-CZ 4.28Å; F379-N384 VanDerWaalsContact CA-O 3.28Å; F379-N384 WeakPolarHBondContact CA-O 3.3Å; F379-I385 HydrophobicContact CD1-CG1 3.88Å; F379-I385 HydrophobicContact CE1-CD1 4.04Å; F379-I385 HydrophobicContact CE1-CG1 3.41Å; F379-I385 VanDerWaalsContact CE1-CG1 3.41Å; F379-I385 HydrophobicContact CZ-CD1 4.47Å; F379-I385 HydrophobicContact CZ-CG1 4.16Å |
| 380 | D | 74.8 | Confident | 78.5 | Confident | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | trans | -81.2 | 178.5 | 168.6 | 67.4 | 11.5 | 0 | 0 | 0 | 112.3 | E382 Y383 N384 V386 | D380-E382 PolarHBondContact O-N 2.97Å; D380-E382 VanDerWaalsContact OD1-C 3.26Å; D380-E382 WeakPolarHBondContact OD1-CA 3.43Å; D380-E382 PolarHBondContact OD1-N 2.96Å; D380-E382 VanDerWaalsContact OD1-N 3.13Å; D380-Y383 PolarHBondContact O-N 3Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; D380-Y383 PolarHBondContact OD1-N 3.14Å; D380-N384 PolarHBondContact N-O 3.45Å; D380-N384 WeakPolarHBondContact OD1-CA 3.49Å; D380-N384 WeakPolarHBondContact OD1-CB 3.49Å; D380-N384 PolarHBondContact OD1-N 3.17Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; D380-N384 WeakPolarHBondContact OD2-CB 3.35Å; D380-N384 PolarHBondContact OD2-ND2 3.08Å; D380-V386 HydrophobicContact CB-CG2 4.16Å | ||
| 381 | D | 74.9 | Confident | 78.3 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.2 | -179.3 | -64.7 | -35.5 | 0 | 0 | 0 | 112.3 | P84 | P84-D381 WeakPolarHBondContact CA-OD1 3.45Å; P84-D381 WeakPolarHBondContact CB-OD1 3.24Å; P84-D381 WeakPolarHBondContact CG-OD1 3.25Å |
| 382 | E | 72.9 | Confident | 78.2 | Confident | 131 Ų | 131 | 49 Ų | 49 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 13 | 176.3 | -62.4 | 80.3 | -168.9 | 0 | 0 | 113.9 | D380 N384 | D380-E382 PolarHBondContact O-N 2.97Å; D380-E382 VanDerWaalsContact OD1-C 3.26Å; D380-E382 WeakPolarHBondContact OD1-CA 3.43Å; D380-E382 PolarHBondContact OD1-N 2.96Å; D380-E382 VanDerWaalsContact OD1-N 3.13Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 WeakPolarHBondContact CB-ND2 3.39Å; E382-N384 PolarHBondContact O-N 3.21Å |
| 383 | Y | 71.6 | Confident | 78.3 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 64.8 | 19 | 179.3 | -62.7 | -99.5 | 0 | 0 | 0 | 115.6 | N85 I86 T87 D380 | N85-Y383 PolarHBondContact O-OH 2.7Å; I86-Y383 HydrophobicContact CB-CE1 4.48Å; I86-Y383 HydrophobicContact CG2-CE1 4.19Å; T87-Y383 PolarHBondContact N-OH 3.32Å; T87-Y383 PolarHBondContact OG1-OH 3.49Å; D380-Y383 PolarHBondContact O-N 3Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; D380-Y383 PolarHBondContact OD1-N 3.14Å |
| 384 | N | 71.6 | Confident | 78.5 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | trans | -82.1 | 146.2 | 172 | -49 | -70.5 | 0 | 0 | 0 | 111.1 | F379 D380 E382 V386 | F379-N384 VanDerWaalsContact CA-O 3.28Å; F379-N384 WeakPolarHBondContact CA-O 3.3Å; D380-N384 PolarHBondContact N-O 3.45Å; D380-N384 WeakPolarHBondContact OD1-CA 3.49Å; D380-N384 WeakPolarHBondContact OD1-CB 3.49Å; D380-N384 PolarHBondContact OD1-N 3.17Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; D380-N384 WeakPolarHBondContact OD2-CB 3.35Å; D380-N384 PolarHBondContact OD2-ND2 3.08Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 WeakPolarHBondContact CB-ND2 3.39Å; E382-N384 PolarHBondContact O-N 3.21Å; N384-V386 PolarHBondContact O-N 3.12Å | ||
| 385 | I | 73.4 | Confident | 78.9 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 114.6 | 173.4 | -62.7 | 172.6 | 0 | 0 | 0 | 108.8 | M95 A98 L102 I316 L377 F379 | M95-I385 HydrophobicContact CG-CD1 4.5Å; A98-I385 HydrophobicContact CB-CD1 3.89Å; L102-I385 HydrophobicContact CD1-CG2 4.19Å; I316-I385 HydrophobicContact CD1-CD1 4.48Å; I316-I385 HydrophobicContact CD1-CG1 4.17Å; I316-I385 HydrophobicContact CD1-CG2 4.08Å; L377-I385 HydrophobicContact CD1-CG2 3.57Å; L377-I385 HydrophobicContact CD2-CG2 4.38Å; L377-I385 HydrophobicContact CG-CG2 4.02Å; F379-I385 HydrophobicContact CD1-CG1 3.88Å; F379-I385 HydrophobicContact CE1-CD1 4.04Å; F379-I385 HydrophobicContact CE1-CG1 3.41Å; F379-I385 VanDerWaalsContact CE1-CG1 3.41Å; F379-I385 HydrophobicContact CZ-CD1 4.47Å; F379-I385 HydrophobicContact CZ-CG1 4.16Å |
| 386 | V | 77.1 | Confident | 79.3 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.6 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 110 | L377 Y378 D380 N384 R388 | L377-V386 WeakPolarHBondContact CA-O 3.35Å; Y378-V386 HydrophobicContact CE1-CB 4.4Å; Y378-V386 HydrophobicContact CE1-CG1 4.32Å; Y378-V386 HydrophobicContact CE2-CB 4.45Å; Y378-V386 PolarHBondContact N-O 3.32Å; Y378-V386 VanDerWaalsContact N-O 3.07Å; Y378-V386 PolarHBondContact O-N 3.27Å; D380-V386 HydrophobicContact CB-CG2 4.16Å; N384-V386 PolarHBondContact O-N 3.12Å; V386-R388 HydrophobicContact CG1-CB 4.42Å |
| 387 | K | 77.2 | Confident | 79.6 | Confident | 93 Ų | 93 | 49.4 Ų | 49.4 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.9 | 165.5 | -175.2 | -170.6 | 176 | -171.7 | 0 | 108.4 | A104 M376 L377 | A104-K387 HydrophobicContact CB-CD 3.97Å; M376-K387 WeakPolarHBondContact O-CA 3.14Å; L377-K387 HydrophobicContact CD1-CB 3.8Å; L377-K387 HydrophobicContact CD1-CG 4.46Å |
| 388 | R | 77.1 | Confident | 79.9 | Confident | 76 Ų | 76 | 50 Ų | 50 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.8 | -180 | -173.3 | 174.4 | -177 | 165.6 | 5.3 | 111.3 | L78 Q79 S375 M376 Y378 V386 V390 | L78-R388 PolarHBondContact O-NH1 3.48Å; Q79-R388 VanDerWaalsContact CD-NH2 3.27Å; Q79-R388 VanDerWaalsContact OE1-NH1 3.12Å; S375-R388 CarbonylContact C-O 3.55Å; S375-R388 WeakPolarHBondContact CA-O 3.46Å; M376-R388 PolarHBondContact N-O 3.02Å; M376-R388 PolarHBondContact O-N 3.3Å; Y378-R388 HydrophobicContact CE1-CB 4.22Å; V386-R388 HydrophobicContact CG1-CB 4.42Å; R388-V390 HydrophobicContact CG-CG2 4.47Å; R388-V390 PolarHBondContact O-N 3.03Å |
| 389 | D | 79.2 | Confident | 80 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 109.3 | 166.4 | -61.5 | -35.3 | 0 | 0 | 0 | 108.6 | T373 S375 P391 | T373-D389 HydrophobicContact CG2-CB 3.88Å; S375-D389 WeakPolarHBondContact CA-OD1 2.96Å; S375-D389 VanDerWaalsContact CB-OD1 3.24Å; S375-D389 WeakPolarHBondContact CB-OD1 3.42Å; S375-D389 PolarHBondContact OG-OD1 3.4Å; D389-P391 WeakPolarHBondContact O-CD 3.28Å |
| 390 | V | 79 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 107.6 | -176 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | R77 L78 T373 M374 M376 R388 M393 | R77-V390 HydrophobicContact CB-CG1 3.61Å; L78-V390 HydrophobicContact CD2-CG2 3.53Å; T373-V390 WeakPolarHBondContact CA-O 3.46Å; T373-V390 WeakPolarHBondContact CG2-O 3.47Å; M374-V390 PolarHBondContact N-O 3.35Å; M374-V390 WeakPolarHBondContact O-CB 3.48Å; M374-V390 PolarHBondContact O-N 3.02Å; M376-V390 HydrophobicContact CB-CG2 4.15Å; M376-V390 HydrophobicContact CG-CG2 3.96Å; M376-V390 HydrophobicContact SD-CG2 3.87Å; R388-V390 HydrophobicContact CG-CG2 4.47Å; R388-V390 PolarHBondContact O-N 3.03Å; V390-M393 HydrophobicContact CG1-CB 4.36Å; V390-M393 HydrophobicContact CG1-CG 4.44Å; V390-M393 HydrophobicContact CG1-SD 3.95Å |
| 391 | P | 82.2 | Confident | 80.5 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 162.9 | -178.5 | 27.7 | -34 | 0 | 0 | 0 | 110.7 | R77 T373 D389 M393 | R77-P391 VanDerWaalsContact CZ-O 3.31Å; R77-P391 PolarHBondContact NE-O 2.89Å; R77-P391 PolarHBondContact NH2-O 3.37Å; T373-P391 WeakPolarHBondContact OG1-CA 3.06Å; D389-P391 WeakPolarHBondContact O-CD 3.28Å; P391-M393 VanDerWaalsContact C-N 3.26Å; P391-M393 PolarHBondContact O-N 3.41Å; P391-M393 VanDerWaalsContact O-N 3.08Å |
| 392 | N | 83.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 36.9 | 50 | 175.2 | -35.3 | -34.6 | 0 | 0 | 0 | 115 | R77 L371 | R77-N392 PolarHBondContact NE-O 3.35Å; R77-N392 PolarHBondContact NH2-ND2 2.79Å; L371-N392 HydrophobicContact CB-CB 3.57Å; L371-N392 HydrophobicContact CD1-CB 3.84Å; L371-N392 HydrophobicContact CD2-CB 4.31Å; L371-N392 HydrophobicContact CG-CB 4.1Å |
| 393 | M | 86.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -29.6 | -175.5 | -169.5 | 63.4 | 178.5 | 0 | 0 | 112.1 | I74 R77 Y321 S372 M374 M376 V390 P391 | I74-M393 HydrophobicContact CB-CE 4.2Å; I74-M393 HydrophobicContact CG1-CE 3.71Å; I74-M393 HydrophobicContact CG2-CE 4.1Å; R77-M393 HydrophobicContact CB-SD 3.92Å; R77-M393 HydrophobicContact CG-SD 3.77Å; Y321-M393 HydrophobicContact CE1-CE 3.94Å; Y321-M393 HydrophobicContact CE2-CE 4.09Å; Y321-M393 HydrophobicContact CE2-CG 4.02Å; Y321-M393 VanDerWaalsContact CZ-CE 3.47Å; Y321-M393 WeakPolarHBondContact OH-CE 3.22Å; S372-M393 PolarHBondContact O-N 3.45Å; M374-M393 HydrophobicContact CB-CB 3.96Å; M374-M393 HydrophobicContact CB-CG 4.14Å; M376-M393 HydrophobicContact SD-CE 4.08Å; V390-M393 HydrophobicContact CG1-CB 4.36Å; V390-M393 HydrophobicContact CG1-CG 4.44Å; V390-M393 HydrophobicContact CG1-SD 3.95Å; P391-M393 VanDerWaalsContact C-N 3.26Å; P391-M393 PolarHBondContact O-N 3.41Å; P391-M393 VanDerWaalsContact O-N 3.08Å |
| 394 | I | 89.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.8 | -176.7 | -65.1 | 169.6 | 0 | 0 | 0 | 108.2 | Y321 F322 L371 S372 M374 | Y321-I394 HydrophobicContact CD2-CG1 3.93Å; Y321-I394 HydrophobicContact CE2-CG1 4.38Å; F322-I394 WeakPolarHBondContact O-CG2 3.25Å; L371-I394 CarbonylContact C-O 3.54Å; L371-I394 WeakPolarHBondContact CA-O 3.44Å; S372-I394 PolarHBondContact N-O 3.35Å; S372-I394 PolarHBondContact O-N 3.4Å; S372-I394 VanDerWaalsContact OG-CB 3.3Å; S372-I394 WeakPolarHBondContact OG-CB 3.31Å; S372-I394 WeakPolarHBondContact OG-CG2 3.49Å; M374-I394 HydrophobicContact CB-CD1 4.13Å; M374-I394 HydrophobicContact CG-CD1 4.45Å; M374-I394 HydrophobicContact SD-CD1 4.09Å |
| 395 | V | 89.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122 | 170.4 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | R299 N324 P368 L371 | R299-V395 WeakPolarHBondContact CD-O 3.27Å; R299-V395 HydrophobicContact CG-CG1 4.32Å; N324-V395 HydrophobicContact CB-CB 4.18Å; N324-V395 WeakPolarHBondContact CB-O 3.37Å; N324-V395 PolarHBondContact ND2-O 3.34Å; N324-V395 VanDerWaalsContact O-CB 3.27Å; N324-V395 WeakPolarHBondContact O-CB 3.45Å; N324-V395 WeakPolarHBondContact O-CG2 3.14Å; P368-V395 HydrophobicContact CB-CG1 4.05Å; P368-V395 HydrophobicContact CB-CG2 4.06Å; P368-V395 HydrophobicContact CG-CG1 4.36Å; P368-V395 HydrophobicContact CG-CG2 3.87Å; L371-V395 HydrophobicContact CD2-CB 4.41Å; L371-V395 HydrophobicContact CD2-CG2 3.7Å |
| 396 | D | 85.9 | Confident | 82.9 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -38.4 | 177.4 | -65.3 | -20.7 | 0 | 0 | 0 | 111.6 | R299 K370 S372 | R299-D396 VanDerWaalsContact CD-O 3.24Å; R299-D396 WeakPolarHBondContact CD-O 3.45Å; K370-D396 HydrophobicContact CB-CB 4.18Å; K370-D396 HydrophobicContact CD-CB 4.04Å; K370-D396 HydrophobicContact CG-CB 4.04Å; K370-D396 PolarHBondContact O-N 3.5Å; S372-D396 VanDerWaalsContact CB-OD2 3.25Å; S372-D396 WeakPolarHBondContact CB-OD2 2.95Å; S372-D396 PolarHBondContact OG-OD1 3.49Å; S372-D396 PolarHBondContact OG-OD2 3.07Å |
| 397 | E | 86.1 | Confident | 83.3 | Confident | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.6 | -177.4 | -59.5 | 172.6 | -158.7 | 0 | 0 | 110.7 | T369 K370 | T369-E397 PolarHBondContact N-O 3.31Å; T369-E397 PolarHBondContact OG1-O 3.27Å; K370-E397 HydrophobicContact CB-CB 3.77Å; K370-E397 HydrophobicContact CB-CG 4.06Å; K370-E397 HydrophobicContact CD-CG 4.05Å; K370-E397 VanDerWaalsContact CD-OE1 3.3Å; K370-E397 WeakPolarHBondContact CD-OE1 3.44Å; K370-E397 PolarHBondContact N-O 3.33Å; K370-E397 IonicContact NZ-OE1 2.62Å; K370-E397 PolarHBondContact NZ-OE1 2.9Å; K370-E397 PolarHBondContact O-N 3.49Å |
| 398 | C | 86.6 | Confident | 83.7 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 155 | 177.4 | -62 | 0 | 0 | 0 | 0 | 110.7 | R299 C326 I367 | R299-C398 VanDerWaalsContact CA-SG 3.56Å; C326-C398 WeakPolarHBondContact CA-SG 3.34Å; C326-C398 HydrophobicContact CB-CB 3.76Å; C326-C398 WeakPolarHBondContact CB-SG 3.47Å; C326-C398 WeakPolarHBondContact SG-CB 3.32Å; C326-C398 CovalentContact SG-SG 2.03Å; C326-C398 PolarHBondContact SG-SG 2.86Å; I367-C398 CarbonylContact O-C 3.39Å; I367-C398 WeakPolarHBondContact O-CA 3.4Å |
| 399 | G | 84.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 170.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S340 I367 | S340-G399 CarbonylContact O-C 3.57Å; I367-G399 PolarHBondContact N-O 3.42Å; I367-G399 PolarHBondContact O-N 3.44Å; I367-G399 VanDerWaalsContact O-O 3.11Å |
| 400 | C | 82.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.4 | -179.4 | -62.8 | 0 | 0 | 0 | 0 | 111 | C330 A335 S340 A341 S342 T346 C365 | C330-C400 VanDerWaalsContact CA-SG 3.51Å; C330-C400 HydrophobicContact CB-CB 3.61Å; C330-C400 WeakPolarHBondContact CB-SG 3.35Å; C330-C400 WeakPolarHBondContact SG-CA 3.45Å; C330-C400 WeakPolarHBondContact SG-CB 3.27Å; C330-C400 CovalentContact SG-SG 2.03Å; C330-C400 PolarHBondContact SG-SG 3.32Å; A335-C400 HydrophobicContact CB-CB 4.09Å; S340-C400 WeakPolarHBondContact O-CB 3.31Å; S340-C400 PolarHBondContact O-N 3.38Å; A341-C400 WeakPolarHBondContact CA-O 3.34Å; S342-C400 PolarHBondContact N-O 3.25Å; S342-C400 PolarHBondContact OG-O 3.48Å; T346-C400 WeakPolarHBondContact CG2-O 3.44Å; C365-C400 WeakPolarHBondContact O-CA 3.33Å |
| 401 | A | 78.9 | Confident | 85.1 | Confident | 51 Ų | 51 | 29.5 Ų | 29.5 | 42% | 0.421 | 18% | 0.177 | S | C | . | . | trans | -119.2 | 0 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S342 T346 S364 C365 I367 | S342-A401 WeakPolarHBondContact OG-CA 3.37Å; S342-A401 VanDerWaalsContact OG-CB 3.25Å; S342-A401 WeakPolarHBondContact OG-CB 3.23Å; T346-A401 WeakPolarHBondContact CG2-OXT 3.35Å; S364-A401 CarbonylContact C-O 3.48Å; S364-A401 WeakPolarHBondContact CA-O 3.39Å; S364-A401 VanDerWaalsContact CB-O 3.3Å; S364-A401 WeakPolarHBondContact CB-O 3.43Å; C365-A401 PolarHBondContact N-O 2.97Å; C365-A401 PolarHBondContact O-N 3.1Å; I367-A401 HydrophobicContact CD1-CB 3.4Å; I367-A401 VanDerWaalsContact CD1-CB 3.4Å; I367-A401 HydrophobicContact CG1-CB 3.76Å |
Retrieved 401 of 401 residues in 76.9 ms
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