| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 35.8 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 100% | 1.182 | 80% | 0.8 | S | S | * | * | 0 | 104.3 | 0 | -173.1 | 172.2 | -174.1 | 0 | 0 | 106 | |||||
| 2 | V | 39.2 | Very low | 35.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -132.8 | 177.7 | 7.2 | -178 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | M | 34.3 | Very low | 36.2 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 141.5 | -174.1 | -63.7 | 170.8 | -157.6 | 0 | 0 | 113.5 | ||||
| 4 | I | 35.5 | Very low | 36 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | 65.5 | 134.8 | 64.1 | -55.5 | 163 | 0 | 0 | 0 | 111.7 | |||||
| 5 | I | 34.6 | Very low | 35.5 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | cis | 166.2 | 139.3 | -28 | -94.5 | 160.1 | 0 | 0 | 0 | 106.4 | ||||
| 6 | S | 32.3 | Very low | 36.5 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | 46.5 | 138.2 | 160.6 | -62.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 7 | T | 33.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 173.3 | 144.2 | 153.1 | 24.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | M | 33.6 | Very low | 36.2 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | 60.4 | 144.4 | -13.6 | 71.7 | -179.9 | 64.7 | 0 | 0 | 118.5 | ||||
| 9 | E | 34.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -133 | 175.7 | 10.3 | -93.7 | -168.8 | 89.4 | 0 | 0 | 112.5 | ||||
| 10 | P | 47.7 | Very low | 35.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -91.5 | 167.5 | 167.7 | 38.4 | -35.4 | 0 | 0 | 0 | 113.1 | ||||
| 11 | Q | 31.9 | Very low | 35.7 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -172.9 | 175.2 | 145.8 | -105 | -43.9 | -41.4 | 0 | 0 | 114.3 | ||||
| 12 | V | 37.2 | Very low | 35.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -101.7 | 160 | -172.1 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | S | 39.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -147.9 | 155.2 | 163.2 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 14 | N | 32.9 | Very low | 35.9 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -145.5 | 106.8 | -166.1 | -118.9 | -14.6 | 0 | 0 | 0 | 113.6 | ||||
| 15 | G | 28.6 | Very low | 35.9 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 59.4 | -164.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 16 | P | 52.2 | Low | 36 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -137.1 | -171.6 | -15.8 | 42.2 | -25.6 | 0 | 0 | 0 | 114.4 | ||||
| 17 | T | 34.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 64.3 | 153.4 | 158.2 | 51 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 18 | S | 32.2 | Very low | 36.2 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -175.9 | 146.6 | -27.8 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | N | 30.9 | Very low | 36.3 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -177 | 144.8 | 134.8 | -95.9 | -12.5 | 0 | 0 | 0 | 116.4 | ||||
| 20 | T | 32.8 | Very low | 36.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -43.9 | 170.3 | 162.4 | 3.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 21 | S | 35.4 | Very low | 36 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | -164.7 | 151.2 | 16.7 | 47.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 22 | N | 32.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | 45.7 | 126.9 | 138.3 | -57.8 | -10.8 | 0 | 0 | 0 | 123.7 | ||||
| 23 | G | 32.5 | Very low | 36.1 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -175.4 | 140 | 157 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | P | 48.3 | Very low | 36 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -126 | 157.5 | -151 | 41.2 | -27.8 | 0 | 0 | 0 | 119.8 | ||||
| 25 | S | 34.9 | Very low | 36.3 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 123.3 | 144.1 | -61.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 26 | S | 36.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 177 | 130.2 | 107.4 | -77.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 27 | N | 36.1 | Very low | 36.1 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | 33.7 | 144 | 140.1 | -67.5 | -18.9 | 0 | 0 | 0 | 121.9 | ||||
| 28 | N | 35.3 | Very low | 35.9 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 57% | 0.572 | 75% | 0.747 | S | S | * | * | cis | -166 | 158.8 | 15.4 | -133.7 | -31.4 | 0 | 0 | 0 | 113.7 | ||||
| 29 | R | 35 | Very low | 36.3 | Very low | 208 Ų | 208 | 125.2 Ų | 125.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 62.4 | 126.6 | 150.8 | -71.2 | 158.8 | -163 | -175.9 | 1.7 | 122 | ||||
| 30 | N | 35.3 | Very low | 36.6 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 50.3 | 141.9 | 132.3 | -81.8 | 15.8 | 0 | 0 | 0 | 121.6 | ||||
| 31 | C | 40.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | cis | -154.4 | -153.4 | 5 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 32 | P | 37.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 158.8 | -134.5 | 37 | -23.6 | 0 | 0 | 0 | 114.5 | P34 | P32-P34 VanDerWaalsContact O-CD 3.28Å; P32-P34 WeakPolarHBondContact O-CD 3.36Å |
| 33 | S | 34.2 | Very low | 38.7 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119.2 | 172.3 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | M35 | S33-M35 PolarHBondContact O-N 2.62Š|
| 34 | P | 37.4 | Very low | 40 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.3 | 158.3 | -1.9 | 20.1 | 0 | 0 | 0 | 107 | P32 Q36 | P32-P34 VanDerWaalsContact O-CD 3.28Å; P32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-Q36 HydrophobicContact CB-CG 4.32Å; P34-Q36 PolarHBondContact O-N 2.76Å |
| 35 | M | 39.8 | Very low | 41 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | trans | -71.2 | 79.3 | 171 | -171.5 | 177.9 | 78.6 | 0 | 0 | 108.8 | S33 T37 | S33-M35 PolarHBondContact O-N 2.62Å; M35-T37 PolarHBondContact O-N 3.43Å | ||
| 36 | Q | 34.6 | Very low | 43.4 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -71.3 | 96.5 | 177.5 | -74.5 | -167 | 4.3 | 0 | 0 | 109.9 | P34 G38 | P34-Q36 HydrophobicContact CB-CG 4.32Å; P34-Q36 PolarHBondContact O-N 2.76Å; Q36-G38 PolarHBondContact O-N 3.18Å | ||
| 37 | T | 41 | Very low | 45.8 | Very low | 128 Ų | 128 | 109.6 Ų | 109.6 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -63.5 | 64.7 | 152.9 | 33.3 | 0 | 0 | 0 | 0 | 110.1 | M35 A39 | M35-T37 PolarHBondContact O-N 3.43Å; T37-A39 PolarHBondContact O-N 2.98Å | ||
| 38 | G | 31.4 | Very low | 48.4 | Very low | 49 Ų | 49 | 102.7 Ų | 102.7 | 51% | 0.505 | 59% | 0.594 | S | S | . | * | trans | -71.2 | 91 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q36 T40 | Q36-G38 PolarHBondContact O-N 3.18Å; G38-T40 VanDerWaalsContact C-N 3.29Å; G38-T40 PolarHBondContact O-N 3.13Å | ||
| 39 | A | 41.1 | Very low | 51 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 85% | 0.851 | 58% | 0.576 | S | S | * | * | trans | -69.8 | 82.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | T37 T41 | T37-A39 PolarHBondContact O-N 2.98Å; A39-T41 PolarHBondContact O-N 3.22Å | ||
| 40 | T | 36.3 | Very low | 53.7 | Low | 121 Ų | 121 | 89.5 Ų | 89.5 | 74% | 0.742 | 54% | 0.538 | S | S | * | . | trans | -80.9 | 80 | -178.7 | 49 | 0 | 0 | 0 | 0 | 112.2 | G38 D42 | G38-T40 VanDerWaalsContact C-N 3.29Å; G38-T40 PolarHBondContact O-N 3.13Å; T40-D42 PolarHBondContact O-N 3.27Å | ||
| 41 | T | 45.1 | Very low | 56.3 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 70% | 0.699 | 51% | 0.51 | S | S | * | . | trans | 47.3 | 67.5 | 153.6 | 57.7 | 0 | 0 | 0 | 0 | 116.2 | A39 D43 | A39-T41 PolarHBondContact O-N 3.22Å; T41-D43 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 42 | D | 48 | Very low | 58.5 | Low | 79 Ų | 79 | 86 Ų | 86 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | trans | -95.7 | 11.9 | 173.4 | -142.9 | -127.1 | 0 | 0 | 0 | 113.9 | T40 S44 K45 | T40-D42 PolarHBondContact O-N 3.27Å; D42-S44 PolarHBondContact O-N 3.29Å; D42-K45 PolarHBondContact O-N 3.07Å; D42-K45 WeakPolarHBondContact OD1-CD 3.47Å; D42-K45 WeakPolarHBondContact OD1-CG 3.2Å; D42-K45 IonicContact OD1-NZ 2.63Å; D42-K45 PolarHBondContact OD1-NZ 3.3Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 3.06Å | ||
| 43 | D | 53.1 | Low | 60.9 | Low | 105 Ų | 105 | 80.8 Ų | 80.8 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -55.2 | -13.8 | 177.9 | -48.5 | -95.2 | 0 | 0 | 0 | 114.1 | T41 K45 T46 N47 | T41-D43 WeakPolarHBondContact CA-OD2 3.27Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-T46 PolarHBondContact O-OG1 3.43Å; D43-N47 PolarHBondContact O-ND2 2.92Å |
| 44 | S | 58.9 | Low | 63.3 | Low | 62 Ų | 62 | 75.5 Ų | 75.5 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78.8 | -8.8 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 114 | D42 | D42-S44 PolarHBondContact O-N 3.29Å |
| 45 | K | 70.4 | Confident | 65.5 | Low | 89 Ų | 89 | 76.1 Ų | 76.1 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -104.1 | -29.3 | 176.2 | -60.3 | -151.5 | -160.1 | 79.6 | 0 | 114.2 | D42 D43 P97 A100 Y121 | D42-K45 PolarHBondContact O-N 3.07Å; D42-K45 WeakPolarHBondContact OD1-CD 3.47Å; D42-K45 WeakPolarHBondContact OD1-CG 3.2Å; D42-K45 IonicContact OD1-NZ 2.63Å; D42-K45 PolarHBondContact OD1-NZ 3.3Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 3.06Å; D43-K45 VanDerWaalsContact C-N 3.32Å; K45-P97 HydrophobicContact CB-CB 4.03Å; K45-A100 WeakPolarHBondContact O-CB 3.46Å; K45-Y121 HydrophobicContact CB-CD1 4.44Å; K45-Y121 HydrophobicContact CB-CE1 4.04Å; K45-Y121 HydrophobicContact CG-CE1 4.48Å; K45-Y121 WeakPolarHBondContact O-CD1 3.34Å; K45-Y121 VanDerWaalsContact O-CE1 3.25Å; K45-Y121 WeakPolarHBondContact O-CE1 3.37Å |
| 46 | T | 83.8 | Confident | 67.6 | Low | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.4 | -32.5 | 175.3 | 44 | 0 | 0 | 0 | 0 | 113 | D43 N93 Y94 P97 | D43-T46 PolarHBondContact O-OG1 3.43Å; T46-N93 WeakPolarHBondContact CB-OD1 3.45Å; T46-N93 PolarHBondContact O-OD1 3.48Å; T46-N93 PolarHBondContact OG1-OD1 3.36Å; T46-Y94 WeakPolarHBondContact CB-O 3.16Å; T46-Y94 PolarHBondContact O-N 2.94Å; T46-P97 HydrophobicContact CG2-CB 3.9Å; T46-P97 HydrophobicContact CG2-CG 4.37Å |
| 47 | N | 88.3 | Confident | 70 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.3 | -178.4 | -78.2 | -88.3 | 0 | 0 | 0 | 112.1 | D43 N93 A122 | D43-N47 PolarHBondContact O-ND2 2.92Å; N47-N93 PolarHBondContact N-OD1 2.87Å; N47-N93 PolarHBondContact ND2-OD1 2.96Å; N47-N93 PolarHBondContact OD1-OD1 3.35Å; N47-A122 HydrophobicContact CB-CB 4.1Å; N47-A122 PolarHBondContact O-N 2.82Å |
| 48 | L | 89.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.2 | 175.5 | -57.5 | -169.8 | 0 | 0 | 0 | 112.5 | F91 V92 Y94 A100 A103 I104 V119 S120 Y121 A122 | L48-F91 WeakPolarHBondContact O-CA 3.46Å; L48-V92 PolarHBondContact N-O 2.88Å; L48-V92 PolarHBondContact O-N 3.33Å; L48-Y94 HydrophobicContact CD1-CD2 4.21Å; L48-Y94 HydrophobicContact CD1-CE2 3.75Å; L48-Y94 HydrophobicContact CG-CD2 4.45Å; L48-Y94 HydrophobicContact CG-CE2 4.42Å; L48-A100 HydrophobicContact CD1-CB 4.31Å; L48-A100 HydrophobicContact CD2-CB 3.96Å; L48-A100 HydrophobicContact CG-CB 4.06Å; L48-A103 HydrophobicContact CD1-CB 3.81Å; L48-I104 HydrophobicContact CD1-CG1 4.2Å; L48-I104 HydrophobicContact CD2-CD1 3.59Å; L48-I104 HydrophobicContact CD2-CG1 3.69Å; L48-V119 HydrophobicContact CB-CG1 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.75Å; L48-S120 CarbonylContact C-O 3.53Å; L48-S120 WeakPolarHBondContact CA-O 3.44Å; L48-Y121 HydrophobicContact CD2-CD1 3.81Å; L48-Y121 HydrophobicContact CD2-CE1 4.25Å; L48-A122 VanDerWaalsContact C-CB 3.47Å |
| 49 | I | 90.5 | Very high | 74.8 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 20% | 0.195 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.8 | 166 | -171.3 | 175.3 | 0 | 0 | 0 | 109.4 | F91 S120 A122 | I49-F91 HydrophobicContact CB-CD1 4.06Å; I49-F91 HydrophobicContact CB-CE1 3.99Å; I49-F91 HydrophobicContact CD1-CE1 3.74Å; I49-F91 HydrophobicContact CD1-CZ 4.03Å; I49-F91 HydrophobicContact CG1-CD1 4.09Å; I49-F91 HydrophobicContact CG1-CE1 3.76Å; I49-F91 HydrophobicContact CG1-CZ 4.32Å; I49-S120 PolarHBondContact N-O 2.76Å; I49-S120 PolarHBondContact O-N 2.87Å; I49-A122 HydrophobicContact CB-CB 3.97Å; I49-A122 HydrophobicContact CG2-CB 4.37Å |
| 50 | V | 91.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.6 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | L53 F62 F66 Y89 G90 V92 I117 K118 V119 | V50-L53 HydrophobicContact CB-CD1 4.48Å; V50-L53 HydrophobicContact CG1-CD1 4.39Å; V50-L53 HydrophobicContact CG1-CD2 3.59Å; V50-L53 HydrophobicContact CG1-CG 4.05Å; V50-F62 HydrophobicContact CB-CE2 3.89Å; V50-F62 HydrophobicContact CB-CZ 4.07Å; V50-F62 HydrophobicContact CG1-CE2 4.12Å; V50-F62 HydrophobicContact CG2-CE2 3.91Å; V50-F62 HydrophobicContact CG2-CZ 3.86Å; V50-F66 HydrophobicContact CB-CZ 4.22Å; V50-F66 HydrophobicContact CG1-CE2 4.18Å; V50-F66 HydrophobicContact CG1-CZ 3.79Å; V50-F66 HydrophobicContact CG2-CE1 3.7Å; V50-F66 HydrophobicContact CG2-CE2 3.96Å; V50-F66 HydrophobicContact CG2-CZ 3.39Å; V50-Y89 CarbonylContact O-C 3.56Å; V50-Y89 WeakPolarHBondContact O-CA 3.32Å; V50-Y89 WeakPolarHBondContact O-CB 3.39Å; V50-G90 PolarHBondContact N-O 3.02Å; V50-G90 PolarHBondContact O-N 2.81Å; V50-V92 HydrophobicContact CG2-CG2 4.44Å; V50-I117 HydrophobicContact CG1-CB 4.3Å; V50-I117 HydrophobicContact CG1-CD1 4.25Å; V50-K118 WeakPolarHBondContact CA-O 3.18Å; V50-V119 HydrophobicContact CG1-CG2 4.13Å; V50-V119 HydrophobicContact CG2-CG1 4.43Å; V50-V119 HydrophobicContact CG2-CG2 4.34Å |
| 51 | N | 89.4 | Confident | 79.6 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 162.6 | -179.8 | -66.1 | -77.3 | 0 | 0 | 0 | 111.3 | L53 I117 K118 | N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.63Å; N51-I117 WeakPolarHBondContact O-CA 3.4Å; N51-K118 HydrophobicContact CB-CB 4.46Å; N51-K118 PolarHBondContact N-O 3.27Å; N51-K118 PolarHBondContact O-N 2.71Å |
| 52 | Y | 87 | Confident | 81.8 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 58% | 0.58 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 63.1 | 30.3 | -179.8 | -49.7 | -75.8 | 0 | 0 | 0 | 114.8 | G88 K115 T116 K118 | Y52-G88 CarbonylContact C-O 3.53Å; Y52-G88 WeakPolarHBondContact CA-O 3.36Å; Y52-G88 PolarHBondContact N-O 3.25Å; Y52-K115 VanDerWaalsContact O-CB 3.23Å; Y52-K115 WeakPolarHBondContact O-CB 3.36Å; Y52-K115 WeakPolarHBondContact O-CD 3.3Å; Y52-T116 WeakPolarHBondContact CB-O 3.38Å; Y52-K118 HydrophobicContact CD2-CB 3.91Å; Y52-K118 HydrophobicContact CE2-CB 4.22Å |
| 53 | L | 87.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -62.7 | 144.6 | 169.4 | -62.1 | 174.2 | 0 | 0 | 0 | 111 | V50 N51 M57 F62 L77 G88 K115 I117 | V50-L53 HydrophobicContact CB-CD1 4.48Å; V50-L53 HydrophobicContact CG1-CD1 4.39Å; V50-L53 HydrophobicContact CG1-CD2 3.59Å; V50-L53 HydrophobicContact CG1-CG 4.05Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.63Å; L53-M57 HydrophobicContact CD2-SD 3.94Å; L53-F62 HydrophobicContact CD1-CD2 3.81Å; L53-F62 HydrophobicContact CD1-CE2 3.56Å; L53-F62 HydrophobicContact CD1-CZ 4.23Å; L53-F62 HydrophobicContact CD2-CD2 4.12Å; L53-F62 HydrophobicContact CD2-CE2 4.03Å; L53-F62 HydrophobicContact CG-CE2 4.43Å; L53-L77 HydrophobicContact CD1-CD1 3.47Å; L53-L77 VanDerWaalsContact CD1-CD1 3.47Å; L53-G88 PolarHBondContact N-O 3.48Å; L53-G88 WeakPolarHBondContact O-CA 3.33Å; L53-K115 WeakPolarHBondContact O-CD 3.4Å; L53-K115 PolarHBondContact O-NZ 2.89Å; L53-I117 HydrophobicContact CD2-CG2 3.93Å | ||
| 54 | P | 84.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | trans | -72.7 | 147 | 174.1 | 31.7 | -32.6 | 0 | 0 | 0 | 110.3 | N56 M57 L112 | P54-N56 VanDerWaalsContact C-N 3.31Å; P54-N56 WeakPolarHBondContact CB-OD1 3.38Å; P54-N56 PolarHBondContact O-N 3.3Å; P54-M57 HydrophobicContact CG-CB 4.22Å; P54-M57 WeakPolarHBondContact O-CB 3.3Å; P54-M57 PolarHBondContact O-N 2.9Å; P54-L112 HydrophobicContact CG-CB 4.19Å | ||
| 55 | Q | 83.3 | Confident | 87.1 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.5 | -166.9 | -71.5 | -173.6 | -49 | 0 | 0 | 113.9 | M57 S86 | Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.84Å; Q55-S86 WeakPolarHBondContact O-CB 2.89Å; Q55-S86 PolarHBondContact O-OG 3.34Å |
| 56 | N | 83.9 | Confident | 88 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -12.4 | 174.7 | 54.2 | 0.9 | 0 | 0 | 0 | 113.6 | P54 T58 Q113 | P54-N56 VanDerWaalsContact C-N 3.31Å; P54-N56 WeakPolarHBondContact CB-OD1 3.38Å; P54-N56 PolarHBondContact O-N 3.3Å; N56-T58 PolarHBondContact O-N 3.23Å; N56-Q113 PolarHBondContact ND2-NE2 3.4Å; N56-Q113 VanDerWaalsContact ND2-NE2 3.2Å; N56-Q113 PolarHBondContact ND2-OE1 2.93Å; N56-Q113 PolarHBondContact OD1-OE1 3.01Å |
| 57 | M | 84.9 | Confident | 88.3 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | trans | -62.6 | 132.1 | -176.8 | -157.6 | 173 | -167.7 | 0 | 0 | 111.5 | L53 P54 Q55 E61 F62 L65 L77 R79 S86 L112 | L53-M57 HydrophobicContact CD2-SD 3.94Å; P54-M57 HydrophobicContact CG-CB 4.22Å; P54-M57 WeakPolarHBondContact O-CB 3.3Å; P54-M57 PolarHBondContact O-N 2.9Å; Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.84Å; M57-E61 HydrophobicContact CE-CB 4.1Å; M57-E61 HydrophobicContact CG-CB 4.27Å; M57-F62 HydrophobicContact CE-CB 4.31Å; M57-F62 HydrophobicContact SD-CB 4.44Å; M57-F62 HydrophobicContact SD-CD2 4.36Å; M57-L65 HydrophobicContact CE-CD2 3.99Å; M57-L77 WeakPolarHBondContact O-CD2 3.34Å; M57-R79 PolarHBondContact O-NH2 2.84Å; M57-R79 VanDerWaalsContact O-NH2 3.12Å; M57-S86 PolarHBondContact O-OG 3.05Å; M57-L112 HydrophobicContact CE-CD1 3.97Å; M57-L112 HydrophobicContact SD-CD1 4.09Å | ||
| 58 | T | 87.6 | Confident | 88.4 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | -80.3 | 161.2 | 175.3 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | N56 E60 E61 F62 | N56-T58 PolarHBondContact O-N 3.23Å; T58-E60 WeakPolarHBondContact CB-OE2 3.41Å; T58-E60 PolarHBondContact O-N 2.75Å; T58-E61 VanDerWaalsContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CB-OE2 3.33Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.48Å; T58-E61 PolarHBondContact N-OE2 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.33Å; T58-E61 WeakPolarHBondContact OG1-CG 3.19Å; T58-E61 PolarHBondContact OG1-N 2.87Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; T58-F62 WeakPolarHBondContact O-CB 3.38Å; T58-F62 PolarHBondContact O-N 3.15Å | ||
| 59 | Q | 86.4 | Confident | 88.4 | Confident | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74 | -23.1 | 174.3 | -174.4 | 169.4 | -96.3 | 0 | 0 | 110.5 | F62 R63 L77 | Q59-F62 PolarHBondContact O-N 3.35Å; Q59-R63 WeakPolarHBondContact O-CB 3.2Å; Q59-R63 PolarHBondContact O-N 2.99Å; Q59-L77 HydrophobicContact CB-CB 4.18Å; Q59-L77 HydrophobicContact CG-CB 4.17Å; Q59-L77 VanDerWaalsContact OE1-N 3.14Å |
| 60 | E | 89.3 | Confident | 88.3 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -72.4 | -51.1 | -178.6 | -62.1 | 61 | -138.2 | 0 | 0 | 109.9 | T58 F62 R63 S64 | T58-E60 WeakPolarHBondContact CB-OE2 3.41Å; T58-E60 PolarHBondContact O-N 2.75Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.34Å; E60-R63 PolarHBondContact O-N 2.53Å; E60-S64 WeakPolarHBondContact O-CB 3.17Å; E60-S64 PolarHBondContact O-N 3.28Å |
| 61 | E | 89.3 | Confident | 88.3 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 168.5 | -71 | 161 | 130.6 | 0 | 0 | 111.7 | M57 T58 S64 L65 | M57-E61 HydrophobicContact CE-CB 4.1Å; M57-E61 HydrophobicContact CG-CB 4.27Å; T58-E61 VanDerWaalsContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CB-OE2 3.33Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.48Å; T58-E61 PolarHBondContact N-OE2 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.33Å; T58-E61 WeakPolarHBondContact OG1-CG 3.19Å; T58-E61 PolarHBondContact OG1-N 2.87Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; E61-S64 PolarHBondContact O-N 2.82Å; E61-L65 WeakPolarHBondContact O-CB 3.31Å; E61-L65 PolarHBondContact O-N 3.43Å |
| 62 | F | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.6 | -177.9 | -109.3 | 0 | 0 | 0 | 112 | V50 L53 M57 T58 Q59 E60 F66 L77 V92 | V50-F62 HydrophobicContact CB-CE2 3.89Å; V50-F62 HydrophobicContact CB-CZ 4.07Å; V50-F62 HydrophobicContact CG1-CE2 4.12Å; V50-F62 HydrophobicContact CG2-CE2 3.91Å; V50-F62 HydrophobicContact CG2-CZ 3.86Å; L53-F62 HydrophobicContact CD1-CD2 3.81Å; L53-F62 HydrophobicContact CD1-CE2 3.56Å; L53-F62 HydrophobicContact CD1-CZ 4.23Å; L53-F62 HydrophobicContact CD2-CD2 4.12Å; L53-F62 HydrophobicContact CD2-CE2 4.03Å; L53-F62 HydrophobicContact CG-CE2 4.43Å; M57-F62 HydrophobicContact CE-CB 4.31Å; M57-F62 HydrophobicContact SD-CB 4.44Å; M57-F62 HydrophobicContact SD-CD2 4.36Å; T58-F62 WeakPolarHBondContact O-CB 3.38Å; T58-F62 PolarHBondContact O-N 3.15Å; Q59-F62 PolarHBondContact O-N 3.35Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.34Å; F62-F66 HydrophobicContact CD2-CD2 4.02Å; F62-F66 AromaticContact CD2-CE2 3.98Å; F62-F66 HydrophobicContact CD2-CE2 3.98Å; F62-F66 AromaticContact CE2-CD2 3.83Å; F62-F66 HydrophobicContact CE2-CD2 3.83Å; F62-F66 AromaticContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CZ 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.38Å; F62-F66 HydrophobicContact CZ-CE2 4.37Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 PolarHBondContact O-N 2.79Å; F62-L77 HydrophobicContact CD1-CB 4.41Å; F62-V92 HydrophobicContact CE1-CG2 3.66Å; F62-V92 HydrophobicContact CZ-CG2 3.57Å |
| 63 | R | 90.9 | Very high | 88.4 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173.7 | -174.2 | 175.3 | 179.6 | 90.1 | 4.3 | 111.3 | Q59 E60 G67 C75 | Q59-R63 WeakPolarHBondContact O-CB 3.2Å; Q59-R63 PolarHBondContact O-N 2.99Å; E60-R63 PolarHBondContact O-N 2.53Å; R63-G67 WeakPolarHBondContact O-CA 3.48Å; R63-G67 PolarHBondContact O-N 3.26Å; R63-C75 VanDerWaalsContact CD-SG 3.6Å; R63-C75 VanDerWaalsContact CG-SG 3.53Å; R63-C75 PolarHBondContact NH1-SG 3.23Å |
| 64 | S | 90.5 | Very high | 88.2 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | E60 E61 F66 G67 S68 | E60-S64 WeakPolarHBondContact O-CB 3.17Å; E60-S64 PolarHBondContact O-N 3.28Å; E61-S64 PolarHBondContact O-N 2.82Å; S64-F66 PolarHBondContact O-N 2.87Å; S64-G67 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-N 3.35Å |
| 65 | L | 89.9 | Confident | 88.4 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 178.5 | 178.2 | 63.4 | 0 | 0 | 0 | 111.8 | M57 E61 S68 L107 L110 L112 I117 | M57-L65 HydrophobicContact CE-CD2 3.99Å; E61-L65 WeakPolarHBondContact O-CB 3.31Å; E61-L65 PolarHBondContact O-N 3.43Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 2.87Å; L65-L107 HydrophobicContact CD1-CD2 4.26Å; L65-L110 HydrophobicContact CD1-CD2 4.18Å; L65-L110 HydrophobicContact CD2-CD2 4.38Å; L65-L112 HydrophobicContact CD2-CD1 4.07Å; L65-I117 HydrophobicContact CD2-CD1 4.47Å |
| 66 | F | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.8 | -30.8 | -178.7 | -78.2 | -92.7 | 0 | 0 | 0 | 112.4 | V50 F62 S64 S68 I69 I72 V92 Y94 A103 L107 I117 V119 | V50-F66 HydrophobicContact CB-CZ 4.22Å; V50-F66 HydrophobicContact CG1-CE2 4.18Å; V50-F66 HydrophobicContact CG1-CZ 3.79Å; V50-F66 HydrophobicContact CG2-CE1 3.7Å; V50-F66 HydrophobicContact CG2-CE2 3.96Å; V50-F66 HydrophobicContact CG2-CZ 3.39Å; F62-F66 HydrophobicContact CD2-CD2 4.02Å; F62-F66 AromaticContact CD2-CE2 3.98Å; F62-F66 HydrophobicContact CD2-CE2 3.98Å; F62-F66 AromaticContact CE2-CD2 3.83Å; F62-F66 HydrophobicContact CE2-CD2 3.83Å; F62-F66 AromaticContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CZ 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.38Å; F62-F66 HydrophobicContact CZ-CE2 4.37Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 PolarHBondContact O-N 2.79Å; S64-F66 PolarHBondContact O-N 2.87Å; F66-S68 PolarHBondContact O-N 2.81Å; F66-I69 PolarHBondContact O-N 2.97Å; F66-I72 HydrophobicContact CB-CD1 3.7Å; F66-V92 HydrophobicContact CB-CG1 4.28Å; F66-V92 HydrophobicContact CB-CG2 4.13Å; F66-V92 HydrophobicContact CD1-CG2 4.11Å; F66-V92 HydrophobicContact CD2-CG2 4.38Å; F66-V92 HydrophobicContact CG-CG2 3.92Å; F66-Y94 WeakPolarHBondContact CB-OH 3.44Å; F66-Y94 WeakPolarHBondContact CD1-OH 3.36Å; F66-Y94 PolarHBondContact O-OH 3.03Å; F66-A103 HydrophobicContact CD1-CB 4.42Å; F66-L107 HydrophobicContact CD1-CD1 3.56Å; F66-L107 HydrophobicContact CD2-CD1 4.39Å; F66-L107 HydrophobicContact CE1-CB 4.27Å; F66-L107 HydrophobicContact CE1-CD1 3.48Å; F66-L107 VanDerWaalsContact CE1-CD1 3.48Å; F66-L107 HydrophobicContact CE2-CD1 4.32Å; F66-L107 HydrophobicContact CG-CD1 4.02Å; F66-L107 HydrophobicContact CZ-CB 4.34Å; F66-L107 HydrophobicContact CZ-CD1 3.87Å; F66-I117 HydrophobicContact CZ-CD1 4.22Å; F66-V119 HydrophobicContact CE1-CG1 4.11Å; F66-V119 HydrophobicContact CE1-CG2 3.89Å; F66-V119 HydrophobicContact CZ-CG2 3.76Å |
| 67 | G | 89.4 | Confident | 88.8 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.2 | -12.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | R63 S64 I69 | R63-G67 WeakPolarHBondContact O-CA 3.48Å; R63-G67 PolarHBondContact O-N 3.26Å; S64-G67 PolarHBondContact O-N 2.84Å; G67-I69 PolarHBondContact O-N 2.81Å |
| 68 | S | 90.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.1 | 171.2 | 73.3 | 0 | 0 | 0 | 0 | 114.1 | S64 L65 F66 | S64-S68 PolarHBondContact O-N 3.35Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 2.87Å; F66-S68 PolarHBondContact O-N 2.81Å |
| 69 | I | 90.6 | Very high | 88.8 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -30.2 | -177.9 | -53.6 | -61.4 | 0 | 0 | 0 | 112.4 | F66 G67 K102 A103 T106 L107 | F66-I69 PolarHBondContact O-N 2.97Å; G67-I69 PolarHBondContact O-N 2.81Å; I69-K102 HydrophobicContact CG2-CB 3.59Å; I69-K102 HydrophobicContact CG2-CD 4.4Å; I69-A103 HydrophobicContact CB-CB 4.32Å; I69-A103 HydrophobicContact CG1-CB 4.34Å; I69-A103 HydrophobicContact CG2-CB 3.97Å; I69-T106 HydrophobicContact CD1-CG2 4.16Å; I69-L107 HydrophobicContact CD1-CD1 4.36Å; I69-L107 HydrophobicContact CD1-CD2 4.41Å; I69-L107 HydrophobicContact CD1-CG 4.3Å; I69-L107 HydrophobicContact CG1-CD1 3.75Å; I69-L107 HydrophobicContact CG1-CG 4.19Å |
| 70 | G | 88.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 171.3 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I72 Y94 D99 | G70-I72 PolarHBondContact O-N 2.98Å; G70-Y94 WeakPolarHBondContact O-CE1 3.37Å; G70-D99 WeakPolarHBondContact CA-OD2 3.21Å |
| 71 | E | 90.6 | Very high | 87.7 | Confident | 138 Ų | 138 | 67 Ų | 67 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | trans | -79.4 | 123.6 | -171.5 | -163 | 172.1 | 174.8 | 0 | 0 | 113.1 | Y94 I95 | E71-Y94 WeakPolarHBondContact O-CA 3.48Å; E71-Y94 WeakPolarHBondContact O-CD1 3.45Å; E71-I95 HydrophobicContact CB-CD1 4.11Å; E71-I95 HydrophobicContact CG-CD1 3.65Å; E71-I95 HydrophobicContact CG-CG1 4.4Å; E71-I95 PolarHBondContact O-N 3.36Å | ||
| 72 | I | 91.1 | Very high | 86.9 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112.9 | -178.6 | -66.3 | 177.3 | 0 | 0 | 0 | 110.2 | F66 G70 S74 C75 V92 Y94 | F66-I72 HydrophobicContact CB-CD1 3.7Å; G70-I72 PolarHBondContact O-N 2.98Å; I72-S74 VanDerWaalsContact CG2-C 3.42Å; I72-S74 WeakPolarHBondContact CG2-O 3.5Å; I72-C75 HydrophobicContact CG2-CB 3.86Å; I72-V92 HydrophobicContact CD1-CG1 3.79Å; I72-V92 HydrophobicContact CG1-CG1 3.81Å; I72-V92 HydrophobicContact CG2-CG1 4.11Å; I72-Y94 HydrophobicContact CG1-CD1 4.22Å; I72-Y94 HydrophobicContact CG1-CE1 3.91Å |
| 73 | E | 87.5 | Confident | 86.2 | Confident | 126 Ų | 126 | 72.1 Ų | 72.1 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -48.8 | 166.6 | -170.9 | -143.5 | -124.2 | 0 | 0 | 110.3 | N93 I95 | E73-N93 PolarHBondContact N-O 2.91Å; E73-N93 PolarHBondContact OE2-ND2 2.85Å; E73-I95 HydrophobicContact CB-CG1 3.89Å |
| 74 | S | 83.7 | Confident | 85.4 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 133.3 | -175.4 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | I72 V92 N93 | I72-S74 VanDerWaalsContact CG2-C 3.42Å; I72-S74 WeakPolarHBondContact CG2-O 3.5Å; S74-V92 CarbonylContact O-C 3.5Å; S74-V92 WeakPolarHBondContact O-CA 3.43Å; S74-N93 PolarHBondContact N-O 2.9Å; S74-N93 VanDerWaalsContact N-O 3.14Å; S74-N93 PolarHBondContact O-N 3.19Å |
| 75 | C | 87.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.4 | 171.5 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | R63 I72 F91 | R63-C75 VanDerWaalsContact CD-SG 3.6Å; R63-C75 VanDerWaalsContact CG-SG 3.53Å; R63-C75 PolarHBondContact NH1-SG 3.23Å; I72-C75 HydrophobicContact CG2-CB 3.86Å; C75-F91 WeakPolarHBondContact CA-O 3.33Å |
| 76 | K | 87.8 | Confident | 84.3 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 111.5 | 179.8 | -173.9 | 166.2 | -171.4 | 159.1 | 0 | 111.8 | G90 F91 | K76-G90 CarbonylContact O-C 3.52Å; K76-G90 VanDerWaalsContact O-CA 3.25Å; K76-G90 WeakPolarHBondContact O-CA 3.48Å; K76-F91 PolarHBondContact N-O 3.49Å; K76-F91 PolarHBondContact O-N 3.07Å |
| 77 | L | 88.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127.8 | 167.4 | -175.3 | 58.8 | 0 | 0 | 0 | 108.6 | L53 M57 Q59 F62 R79 | L53-L77 HydrophobicContact CD1-CD1 3.47Å; L53-L77 VanDerWaalsContact CD1-CD1 3.47Å; M57-L77 WeakPolarHBondContact O-CD2 3.34Å; Q59-L77 HydrophobicContact CB-CB 4.18Å; Q59-L77 HydrophobicContact CG-CB 4.17Å; Q59-L77 VanDerWaalsContact OE1-N 3.14Å; F62-L77 HydrophobicContact CD1-CB 4.41Å; L77-R79 PolarHBondContact O-N 2.76Å |
| 78 | V | 86.3 | Confident | 83.7 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 117.4 | -179.4 | -166.4 | 0 | 0 | 0 | 0 | 109.5 | L87 Y89 F91 | V78-L87 HydrophobicContact CG1-CD1 3.78Å; V78-L87 HydrophobicContact CG1-CG 4.45Å; V78-L87 WeakPolarHBondContact O-CB 3.46Å; V78-L87 PolarHBondContact O-N 2.99Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 4.34Å; V78-Y89 HydrophobicContact CB-CE2 3.89Å; V78-Y89 WeakPolarHBondContact CB-O 2.95Å; V78-Y89 HydrophobicContact CG1-CE1 4.44Å; V78-Y89 HydrophobicContact CG1-CE2 4.2Å; V78-Y89 HydrophobicContact CG2-CD2 3.85Å; V78-Y89 HydrophobicContact CG2-CE2 3.56Å; V78-Y89 PolarHBondContact N-O 3.17Å; V78-F91 HydrophobicContact CG2-CD2 3.87Å; V78-F91 HydrophobicContact CG2-CE2 3.79Å |
| 79 | R | 85.3 | Confident | 83.6 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 39% | 0.389 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.4 | 176.8 | -61.6 | -175 | 163.6 | 161.4 | -2.2 | 110.2 | M57 L77 G84 Q85 S86 | M57-R79 PolarHBondContact O-NH2 2.84Å; M57-R79 VanDerWaalsContact O-NH2 3.12Å; L77-R79 PolarHBondContact O-N 2.76Å; R79-G84 WeakPolarHBondContact CD-O 3.3Å; R79-Q85 CarbonylContact C-O 3.51Å; R79-Q85 VanDerWaalsContact CA-O 3.26Å; R79-Q85 WeakPolarHBondContact CA-O 3.38Å; R79-S86 PolarHBondContact NE-OG 2.83Å |
| 80 | D | 80.8 | Confident | 83.6 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | trans | -61.6 | 133.6 | 168.9 | 173.1 | 26 | 0 | 0 | 0 | 109.9 | I82 T83 G84 Q85 L87 | D80-I82 VanDerWaalsContact CG-N 3.34Å; D80-I82 PolarHBondContact O-N 2.86Å; D80-I82 PolarHBondContact OD1-N 3.01Å; D80-I82 PolarHBondContact OD2-N 3.48Å; D80-T83 WeakPolarHBondContact CB-OG1 3.32Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.35Å; D80-T83 PolarHBondContact OD2-N 2.8Å; D80-T83 PolarHBondContact OD2-OG1 2.84Å; D80-G84 VanDerWaalsContact O-CA 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3.2Å; D80-G84 PolarHBondContact O-N 3.16Å; D80-Q85 PolarHBondContact N-O 2.98Å; D80-L87 HydrophobicContact CB-CD2 3.91Å | ||
| 81 | K | 72.8 | Confident | 83.7 | Confident | 209 Ų | 209 | 71 Ų | 71 | 91% | 0.909 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.8 | 176.8 | -67.4 | -173.8 | 175.5 | -174.1 | 0 | 113.3 | ||
| 82 | I | 72.8 | Confident | 83.8 | Confident | 127 Ų | 127 | 64.5 Ų | 64.5 | 65% | 0.651 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -45.5 | -173.6 | -53.8 | 179.6 | 0 | 0 | 0 | 111.7 | D80 | D80-I82 VanDerWaalsContact CG-N 3.34Å; D80-I82 PolarHBondContact O-N 2.86Å; D80-I82 PolarHBondContact OD1-N 3.01Å; D80-I82 PolarHBondContact OD2-N 3.48Å |
| 83 | T | 75.4 | Confident | 83.7 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -14.7 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 114 | D80 Q85 | D80-T83 WeakPolarHBondContact CB-OG1 3.32Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.35Å; D80-T83 PolarHBondContact OD2-N 2.8Å; D80-T83 PolarHBondContact OD2-OG1 2.84Å; T83-Q85 PolarHBondContact O-N 3.44Å; T83-Q85 PolarHBondContact OG1-N 3Å |
| 84 | G | 74.5 | Confident | 83.9 | Confident | 44 Ų | 44 | 59 Ų | 59 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | trans | 73.7 | -4.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R79 D80 | R79-G84 WeakPolarHBondContact CD-O 3.3Å; D80-G84 VanDerWaalsContact O-CA 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3.2Å; D80-G84 PolarHBondContact O-N 3.16Å | ||
| 85 | Q | 74.6 | Confident | 84.1 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | trans | -71.1 | 142.9 | -177.6 | -64.7 | -174.2 | 1.4 | 0 | 0 | 112.1 | R79 D80 T83 L87 | R79-Q85 CarbonylContact C-O 3.51Å; R79-Q85 VanDerWaalsContact CA-O 3.26Å; R79-Q85 WeakPolarHBondContact CA-O 3.38Å; D80-Q85 PolarHBondContact N-O 2.98Å; T83-Q85 PolarHBondContact O-N 3.44Å; T83-Q85 PolarHBondContact OG1-N 3Å; Q85-L87 PolarHBondContact O-N 3.02Å | ||
| 86 | S | 81.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 111 | Q55 M57 R79 G88 | Q55-S86 WeakPolarHBondContact O-CB 2.89Å; Q55-S86 PolarHBondContact O-OG 3.34Å; M57-S86 PolarHBondContact O-OG 3.05Å; R79-S86 PolarHBondContact NE-OG 2.83Å; S86-G88 PolarHBondContact O-N 3.3Å |
| 87 | L | 82.2 | Confident | 84.1 | Confident | 88 Ų | 88 | 59 Ų | 59 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 5.1 | 179.5 | -62 | -174.4 | 0 | 0 | 0 | 113.4 | V78 D80 Q85 Y89 | V78-L87 HydrophobicContact CG1-CD1 3.78Å; V78-L87 HydrophobicContact CG1-CG 4.45Å; V78-L87 WeakPolarHBondContact O-CB 3.46Å; V78-L87 PolarHBondContact O-N 2.99Å; D80-L87 HydrophobicContact CB-CD2 3.91Å; Q85-L87 PolarHBondContact O-N 3.02Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 HydrophobicContact CB-CD1 3.75Å; L87-Y89 HydrophobicContact CB-CE1 3.54Å; L87-Y89 HydrophobicContact CD1-CE1 3.79Å; L87-Y89 HydrophobicContact CG-CE1 4.33Å; L87-Y89 PolarHBondContact O-N 2.86Å |
| 88 | G | 84.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.1 | 15.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y52 L53 S86 | Y52-G88 CarbonylContact C-O 3.53Å; Y52-G88 WeakPolarHBondContact CA-O 3.36Å; Y52-G88 PolarHBondContact N-O 3.25Å; L53-G88 PolarHBondContact N-O 3.48Å; L53-G88 WeakPolarHBondContact O-CA 3.33Å; S86-G88 PolarHBondContact O-N 3.3Å |
| 89 | Y | 89.3 | Confident | 84.4 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.5 | 171.4 | 72.2 | -82.1 | 0 | 0 | 0 | 112.9 | V50 V78 L87 F91 | V50-Y89 CarbonylContact O-C 3.56Å; V50-Y89 WeakPolarHBondContact O-CA 3.32Å; V50-Y89 WeakPolarHBondContact O-CB 3.39Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 4.34Å; V78-Y89 HydrophobicContact CB-CE2 3.89Å; V78-Y89 WeakPolarHBondContact CB-O 2.95Å; V78-Y89 HydrophobicContact CG1-CE1 4.44Å; V78-Y89 HydrophobicContact CG1-CE2 4.2Å; V78-Y89 HydrophobicContact CG2-CD2 3.85Å; V78-Y89 HydrophobicContact CG2-CE2 3.56Å; V78-Y89 PolarHBondContact N-O 3.17Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 HydrophobicContact CB-CD1 3.75Å; L87-Y89 HydrophobicContact CB-CE1 3.54Å; L87-Y89 HydrophobicContact CD1-CE1 3.79Å; L87-Y89 HydrophobicContact CG-CE1 4.33Å; L87-Y89 PolarHBondContact O-N 2.86Å; Y89-F91 HydrophobicContact CD2-CE2 4.13Å; Y89-F91 HydrophobicContact CD2-CZ 4.39Å; Y89-F91 AromaticContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CZ 4.18Å |
| 90 | G | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 169.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 K76 | V50-G90 PolarHBondContact N-O 3.02Å; V50-G90 PolarHBondContact O-N 2.81Å; K76-G90 CarbonylContact O-C 3.52Å; K76-G90 VanDerWaalsContact O-CA 3.25Å; K76-G90 WeakPolarHBondContact O-CA 3.48Å |
| 91 | F | 91.1 | Very high | 85.2 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.8 | 176.4 | -62.3 | -84 | 0 | 0 | 0 | 110.3 | L48 I49 C75 K76 V78 Y89 A122 | L48-F91 WeakPolarHBondContact O-CA 3.46Å; I49-F91 HydrophobicContact CB-CD1 4.06Å; I49-F91 HydrophobicContact CB-CE1 3.99Å; I49-F91 HydrophobicContact CD1-CE1 3.74Å; I49-F91 HydrophobicContact CD1-CZ 4.03Å; I49-F91 HydrophobicContact CG1-CD1 4.09Å; I49-F91 HydrophobicContact CG1-CE1 3.76Å; I49-F91 HydrophobicContact CG1-CZ 4.32Å; C75-F91 WeakPolarHBondContact CA-O 3.33Å; K76-F91 PolarHBondContact N-O 3.49Å; K76-F91 PolarHBondContact O-N 3.07Å; V78-F91 HydrophobicContact CG2-CD2 3.87Å; V78-F91 HydrophobicContact CG2-CE2 3.79Å; Y89-F91 HydrophobicContact CD2-CE2 4.13Å; Y89-F91 HydrophobicContact CD2-CZ 4.39Å; Y89-F91 AromaticContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CZ 4.18Å; F91-A122 HydrophobicContact CD1-CB 4.13Å; F91-A122 HydrophobicContact CE1-CB 4.37Å |
| 92 | V | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.6 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | L48 V50 F62 F66 I72 S74 Y94 | L48-V92 PolarHBondContact N-O 2.88Å; L48-V92 PolarHBondContact O-N 3.33Å; V50-V92 HydrophobicContact CG2-CG2 4.44Å; F62-V92 HydrophobicContact CE1-CG2 3.66Å; F62-V92 HydrophobicContact CZ-CG2 3.57Å; F66-V92 HydrophobicContact CB-CG1 4.28Å; F66-V92 HydrophobicContact CB-CG2 4.13Å; F66-V92 HydrophobicContact CD1-CG2 4.11Å; F66-V92 HydrophobicContact CD2-CG2 4.38Å; F66-V92 HydrophobicContact CG-CG2 3.92Å; I72-V92 HydrophobicContact CD1-CG1 3.79Å; I72-V92 HydrophobicContact CG1-CG1 3.81Å; I72-V92 HydrophobicContact CG2-CG1 4.11Å; S74-V92 CarbonylContact O-C 3.5Å; S74-V92 WeakPolarHBondContact O-CA 3.43Å; V92-Y94 HydrophobicContact CB-CE2 4.42Å; V92-Y94 HydrophobicContact CG1-CD2 3.98Å; V92-Y94 HydrophobicContact CG1-CE2 3.62Å |
| 93 | N | 89.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.8 | 166.8 | -164.7 | 36.1 | 0 | 0 | 0 | 108 | T46 N47 E73 S74 | T46-N93 WeakPolarHBondContact CB-OD1 3.45Å; T46-N93 PolarHBondContact O-OD1 3.48Å; T46-N93 PolarHBondContact OG1-OD1 3.36Å; N47-N93 PolarHBondContact N-OD1 2.87Å; N47-N93 PolarHBondContact ND2-OD1 2.96Å; N47-N93 PolarHBondContact OD1-OD1 3.35Å; E73-N93 PolarHBondContact N-O 2.91Å; E73-N93 PolarHBondContact OE2-ND2 2.85Å; S74-N93 PolarHBondContact N-O 2.9Å; S74-N93 VanDerWaalsContact N-O 3.14Å; S74-N93 PolarHBondContact O-N 3.19Å |
| 94 | Y | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 155.3 | 171.2 | -74 | -90.2 | 0 | 0 | 0 | 110.4 | T46 L48 F66 G70 E71 I72 V92 D96 D99 A100 A103 | T46-Y94 WeakPolarHBondContact CB-O 3.16Å; T46-Y94 PolarHBondContact O-N 2.94Å; L48-Y94 HydrophobicContact CD1-CD2 4.21Å; L48-Y94 HydrophobicContact CD1-CE2 3.75Å; L48-Y94 HydrophobicContact CG-CD2 4.45Å; L48-Y94 HydrophobicContact CG-CE2 4.42Å; F66-Y94 WeakPolarHBondContact CB-OH 3.44Å; F66-Y94 WeakPolarHBondContact CD1-OH 3.36Å; F66-Y94 PolarHBondContact O-OH 3.03Å; G70-Y94 WeakPolarHBondContact O-CE1 3.37Å; E71-Y94 WeakPolarHBondContact O-CA 3.48Å; E71-Y94 WeakPolarHBondContact O-CD1 3.45Å; I72-Y94 HydrophobicContact CG1-CD1 4.22Å; I72-Y94 HydrophobicContact CG1-CE1 3.91Å; V92-Y94 HydrophobicContact CB-CE2 4.42Å; V92-Y94 HydrophobicContact CG1-CD2 3.98Å; V92-Y94 HydrophobicContact CG1-CE2 3.62Å; Y94-D96 WeakPolarHBondContact CB-O 3.33Å; Y94-D99 HydrophobicContact CD1-CB 3.81Å; Y94-D99 HydrophobicContact CE1-CB 4.29Å; Y94-D99 HydrophobicContact CG-CB 4.29Å; Y94-A100 HydrophobicContact CD2-CB 3.73Å; Y94-A100 HydrophobicContact CG-CB 4.25Å; Y94-A103 HydrophobicContact CE2-CB 3.76Å; Y94-A103 WeakPolarHBondContact OH-CB 3.28Å |
| 95 | I | 87.9 | Confident | 88.5 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -67.5 | -46 | 167.5 | -59.3 | -179.6 | 0 | 0 | 0 | 109.2 | E71 E73 | E71-I95 HydrophobicContact CB-CD1 4.11Å; E71-I95 HydrophobicContact CG-CD1 3.65Å; E71-I95 HydrophobicContact CG-CG1 4.4Å; E71-I95 PolarHBondContact O-N 3.36Å; E73-I95 HydrophobicContact CB-CG1 3.89Å |
| 96 | D | 88.5 | Confident | 89.2 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -98 | 127.2 | -179.2 | -104.7 | -63.9 | 0 | 0 | 0 | 112.6 | Y94 K98 D99 A100 | Y94-D96 WeakPolarHBondContact CB-O 3.33Å; D96-K98 PolarHBondContact O-N 3.06Å; D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.17Å; D96-D99 VanDerWaalsContact O-N 3.1Å; D96-A100 PolarHBondContact O-N 3.03Å |
| 97 | P | 88.1 | Confident | 89.6 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 29% | 0.286 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -23.5 | 176.3 | 26 | -33.2 | 0 | 0 | 0 | 112.5 | K45 T46 D99 A100 E101 | K45-P97 HydrophobicContact CB-CB 4.03Å; T46-P97 HydrophobicContact CG2-CB 3.9Å; T46-P97 HydrophobicContact CG2-CG 4.37Å; P97-D99 VanDerWaalsContact C-N 3.29Å; P97-D99 PolarHBondContact O-N 3.21Å; P97-A100 PolarHBondContact O-N 2.74Å; P97-E101 PolarHBondContact O-N 2.77Å |
| 98 | K | 90.3 | Very high | 90 | Very high | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 173.5 | -65.1 | 173 | -176.6 | 166.4 | 0 | 111.8 | D96 E101 K102 | D96-K98 PolarHBondContact O-N 3.06Å; K98-E101 PolarHBondContact O-N 3.39Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3Å |
| 99 | D | 91.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.7 | -31.4 | -178.6 | -69.7 | -3.8 | 0 | 0 | 0 | 111.3 | G70 Y94 D96 P97 K102 A103 | G70-D99 WeakPolarHBondContact CA-OD2 3.21Å; Y94-D99 HydrophobicContact CD1-CB 3.81Å; Y94-D99 HydrophobicContact CE1-CB 4.29Å; Y94-D99 HydrophobicContact CG-CB 4.29Å; D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.17Å; D96-D99 VanDerWaalsContact O-N 3.1Å; P97-D99 VanDerWaalsContact C-N 3.29Å; P97-D99 PolarHBondContact O-N 3.21Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 WeakPolarHBondContact OD1-CE 3.33Å; D99-K102 IonicContact OD1-NZ 2.71Å; D99-K102 PolarHBondContact OD1-NZ 2.81Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.46Å; D99-A103 PolarHBondContact O-N 3.23Å |
| 100 | A | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K45 L48 Y94 D96 P97 A103 I104 | K45-A100 WeakPolarHBondContact O-CB 3.46Å; L48-A100 HydrophobicContact CD1-CB 4.31Å; L48-A100 HydrophobicContact CD2-CB 3.96Å; L48-A100 HydrophobicContact CG-CB 4.06Å; Y94-A100 HydrophobicContact CD2-CB 3.73Å; Y94-A100 HydrophobicContact CG-CB 4.25Å; D96-A100 PolarHBondContact O-N 3.03Å; P97-A100 PolarHBondContact O-N 2.74Å; A100-A103 PolarHBondContact O-N 3.07Å; A100-I104 PolarHBondContact O-N 2.98Å |
| 101 | E | 90.9 | Very high | 89.9 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 174.8 | -178.8 | 167.5 | -130.5 | 0 | 0 | 112.3 | P97 K98 A103 I104 N105 | P97-E101 PolarHBondContact O-N 2.77Å; K98-E101 PolarHBondContact O-N 3.39Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.4Å; E101-I104 PolarHBondContact O-N 3.28Å; E101-N105 PolarHBondContact O-N 3.02Å; E101-N105 PolarHBondContact O-ND2 3.23Å |
| 102 | K | 91.6 | Very high | 89.6 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.2 | -46.7 | 170.9 | -69.8 | 170.8 | -163.7 | 164.7 | 0 | 111 | I69 K98 D99 I104 N105 T106 | I69-K102 HydrophobicContact CG2-CB 3.59Å; I69-K102 HydrophobicContact CG2-CD 4.4Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 WeakPolarHBondContact OD1-CE 3.33Å; D99-K102 IonicContact OD1-NZ 2.71Å; D99-K102 PolarHBondContact OD1-NZ 2.81Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.97Å; K102-N105 CarbonylContact O-C 3.31Å; K102-N105 PolarHBondContact O-N 2.97Å; K102-N105 VanDerWaalsContact O-N 3.07Å; K102-T106 WeakPolarHBondContact O-CB 3.43Å; K102-T106 PolarHBondContact O-N 2.82Å; K102-T106 PolarHBondContact O-OG1 2.99Å |
| 103 | A | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -34.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L48 F66 I69 Y94 D99 A100 E101 L107 | L48-A103 HydrophobicContact CD1-CB 3.81Å; F66-A103 HydrophobicContact CD1-CB 4.42Å; I69-A103 HydrophobicContact CB-CB 4.32Å; I69-A103 HydrophobicContact CG1-CB 4.34Å; I69-A103 HydrophobicContact CG2-CB 3.97Å; Y94-A103 HydrophobicContact CE2-CB 3.76Å; Y94-A103 WeakPolarHBondContact OH-CB 3.28Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.46Å; D99-A103 PolarHBondContact O-N 3.23Å; A100-A103 PolarHBondContact O-N 3.07Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.4Å; A103-L107 HydrophobicContact CB-CD1 4.47Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.12Å; A103-L107 PolarHBondContact O-N 3.35Å |
| 104 | I | 91.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -55.5 | 166.8 | -65.9 | 165.2 | 0 | 0 | 0 | 109.7 | L48 A100 E101 K102 T106 N108 V119 Y121 | L48-I104 HydrophobicContact CD1-CG1 4.2Å; L48-I104 HydrophobicContact CD2-CD1 3.59Å; L48-I104 HydrophobicContact CD2-CG1 3.69Å; A100-I104 PolarHBondContact O-N 2.98Å; E101-I104 PolarHBondContact O-N 3.28Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.97Å; I104-T106 VanDerWaalsContact C-N 3.26Å; I104-T106 PolarHBondContact O-N 2.99Å; I104-N108 HydrophobicContact CG2-CB 4.43Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 PolarHBondContact O-N 3.24Å; I104-V119 HydrophobicContact CG1-CG1 3.95Å; I104-Y121 HydrophobicContact CD1-CD1 3.61Å; I104-Y121 HydrophobicContact CD1-CD2 3.61Å; I104-Y121 HydrophobicContact CD1-CE1 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE1 3.46Å; I104-Y121 HydrophobicContact CD1-CE2 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE2 3.46Å; I104-Y121 HydrophobicContact CD1-CG 3.68Å |
| 105 | N | 90.9 | Very high | 88.4 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.6 | -23.8 | -171.9 | -68.7 | -30.1 | 0 | 0 | 0 | 114.1 | E101 K102 | E101-N105 PolarHBondContact O-N 3.02Å; E101-N105 PolarHBondContact O-ND2 3.23Å; K102-N105 CarbonylContact O-C 3.31Å; K102-N105 PolarHBondContact O-N 2.97Å; K102-N105 VanDerWaalsContact O-N 3.07Å |
| 106 | T | 88.9 | Confident | 88.4 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -101.1 | -36.6 | -178.9 | -48.5 | 0 | 0 | 0 | 0 | 113.7 | I69 K102 I104 | I69-T106 HydrophobicContact CD1-CG2 4.16Å; K102-T106 WeakPolarHBondContact O-CB 3.43Å; K102-T106 PolarHBondContact O-N 2.82Å; K102-T106 PolarHBondContact O-OG1 2.99Å; I104-T106 VanDerWaalsContact C-N 3.26Å; I104-T106 PolarHBondContact O-N 2.99Å |
| 107 | L | 89.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -104.8 | -14.7 | -173.1 | -55.4 | 175.5 | 0 | 0 | 0 | 113.7 | L65 F66 I69 A103 G109 L110 I117 V119 | L65-L107 HydrophobicContact CD1-CD2 4.26Å; F66-L107 HydrophobicContact CD1-CD1 3.56Å; F66-L107 HydrophobicContact CD2-CD1 4.39Å; F66-L107 HydrophobicContact CE1-CB 4.27Å; F66-L107 HydrophobicContact CE1-CD1 3.48Å; F66-L107 VanDerWaalsContact CE1-CD1 3.48Å; F66-L107 HydrophobicContact CE2-CD1 4.32Å; F66-L107 HydrophobicContact CG-CD1 4.02Å; F66-L107 HydrophobicContact CZ-CB 4.34Å; F66-L107 HydrophobicContact CZ-CD1 3.87Å; I69-L107 HydrophobicContact CD1-CD1 4.36Å; I69-L107 HydrophobicContact CD1-CD2 4.41Å; I69-L107 HydrophobicContact CD1-CG 4.3Å; I69-L107 HydrophobicContact CG1-CD1 3.75Å; I69-L107 HydrophobicContact CG1-CG 4.19Å; A103-L107 HydrophobicContact CB-CD1 4.47Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.12Å; A103-L107 PolarHBondContact O-N 3.35Å; L107-G109 PolarHBondContact O-N 3.01Å; L107-L110 HydrophobicContact CD2-CD2 4.02Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.04Å; L107-I117 WeakPolarHBondContact O-CG1 3.43Å; L107-V119 HydrophobicContact CB-CG2 3.99Å |
| 108 | N | 90.9 | Very high | 88.7 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 124.1 | 172.3 | -175.7 | 40.9 | 0 | 0 | 0 | 110.5 | I104 K118 V119 | I104-N108 HydrophobicContact CG2-CB 4.43Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 PolarHBondContact O-N 3.24Å; N108-K118 WeakPolarHBondContact OD1-CA 3.21Å; N108-V119 HydrophobicContact CB-CB 4Å; N108-V119 PolarHBondContact OD1-N 3.36Å; N108-V119 PolarHBondContact OD1-O 3.46Å |
| 109 | G | 87.4 | Confident | 88.8 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 1.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L107 R111 T116 I117 | L107-G109 PolarHBondContact O-N 3.01Å; G109-R111 PolarHBondContact O-N 3.47Å; G109-T116 WeakPolarHBondContact O-CG2 3.34Å; G109-I117 PolarHBondContact N-O 2.63Å |
| 110 | L | 87.9 | Confident | 88.7 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | trans | -65.9 | 128.7 | 174.7 | -176.5 | 67.9 | 0 | 0 | 0 | 110.7 | L65 L107 L112 I117 | L65-L110 HydrophobicContact CD1-CD2 4.18Å; L65-L110 HydrophobicContact CD2-CD2 4.38Å; L107-L110 HydrophobicContact CD2-CD2 4.02Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.04Å; L110-L112 HydrophobicContact CD2-CD2 3.98Å; L110-L112 HydrophobicContact CG-CD2 4.16Å; L110-L112 PolarHBondContact O-N 2.71Å; L110-I117 HydrophobicContact CB-CD1 4.13Å; L110-I117 HydrophobicContact CB-CG1 4.03Å; L110-I117 HydrophobicContact CD2-CD1 4.42Å; L110-I117 PolarHBondContact O-N 2.88Å | ||
| 111 | R | 87.6 | Confident | 88.6 | Confident | 188 Ų | 188 | 70.7 Ų | 70.7 | 71% | 0.709 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.1 | 180 | -173.9 | 176 | 174.6 | 169.4 | -0.6 | 111 | G109 K115 | G109-R111 PolarHBondContact O-N 3.47Å; R111-K115 CarbonylContact C-O 3.53Å; R111-K115 WeakPolarHBondContact CA-O 3.49Å |
| 112 | L | 84.3 | Confident | 88.1 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.7 | 172.9 | -59.5 | -173.1 | 0 | 0 | 0 | 109.6 | P54 M57 L65 L110 T114 K115 I117 | P54-L112 HydrophobicContact CG-CB 4.19Å; M57-L112 HydrophobicContact CE-CD1 3.97Å; M57-L112 HydrophobicContact SD-CD1 4.09Å; L65-L112 HydrophobicContact CD2-CD1 4.07Å; L110-L112 HydrophobicContact CD2-CD2 3.98Å; L110-L112 HydrophobicContact CG-CD2 4.16Å; L110-L112 PolarHBondContact O-N 2.71Å; L112-T114 PolarHBondContact O-N 3.2Å; L112-K115 CarbonylContact C-O 3.54Å; L112-K115 PolarHBondContact N-O 2.98Å; L112-K115 PolarHBondContact O-N 3.21Å; L112-K115 VanDerWaalsContact O-O 3.05Å; L112-I117 HydrophobicContact CB-CG2 4.29Å; L112-I117 HydrophobicContact CD1-CD1 4.38Å; L112-I117 HydrophobicContact CD1-CG2 3.74Å; L112-I117 HydrophobicContact CG-CG2 3.9Å |
| 113 | Q | 79.9 | Confident | 87.2 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -115.4 | -178.7 | -54 | 170.6 | 9.1 | 0 | 0 | 111.5 | N56 | N56-Q113 PolarHBondContact ND2-NE2 3.4Å; N56-Q113 VanDerWaalsContact ND2-NE2 3.2Å; N56-Q113 PolarHBondContact ND2-OE1 2.93Å; N56-Q113 PolarHBondContact OD1-OE1 3.01Å |
| 114 | T | 82.4 | Confident | 85.8 | Confident | 127 Ų | 127 | 71.4 Ų | 71.4 | 78% | 0.779 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.5 | -179.9 | 53 | 0 | 0 | 0 | 0 | 114.1 | L112 | L112-T114 PolarHBondContact O-N 3.2Š|
| 115 | K | 84.1 | Confident | 84.1 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.8 | -177 | -59 | -171.4 | -173.7 | -178.1 | 0 | 112.4 | Y52 L53 R111 L112 | Y52-K115 VanDerWaalsContact O-CB 3.23Å; Y52-K115 WeakPolarHBondContact O-CB 3.36Å; Y52-K115 WeakPolarHBondContact O-CD 3.3Å; L53-K115 WeakPolarHBondContact O-CD 3.4Å; L53-K115 PolarHBondContact O-NZ 2.89Å; R111-K115 CarbonylContact C-O 3.53Å; R111-K115 WeakPolarHBondContact CA-O 3.49Å; L112-K115 CarbonylContact C-O 3.54Å; L112-K115 PolarHBondContact N-O 2.98Å; L112-K115 PolarHBondContact O-N 3.21Å; L112-K115 VanDerWaalsContact O-O 3.05Å |
| 116 | T | 88.9 | Confident | 82.5 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117 | 169.2 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | Y52 G109 | Y52-T116 WeakPolarHBondContact CB-O 3.38Å; G109-T116 WeakPolarHBondContact O-CG2 3.34Å |
| 117 | I | 91.6 | Very high | 80.7 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -74.1 | 142.3 | -177.7 | 75.5 | 177.8 | 0 | 0 | 0 | 110 | V50 N51 L53 L65 F66 L107 G109 L110 L112 V119 | V50-I117 HydrophobicContact CG1-CB 4.3Å; V50-I117 HydrophobicContact CG1-CD1 4.25Å; N51-I117 WeakPolarHBondContact O-CA 3.4Å; L53-I117 HydrophobicContact CD2-CG2 3.93Å; L65-I117 HydrophobicContact CD2-CD1 4.47Å; F66-I117 HydrophobicContact CZ-CD1 4.22Å; L107-I117 WeakPolarHBondContact O-CG1 3.43Å; G109-I117 PolarHBondContact N-O 2.63Å; L110-I117 HydrophobicContact CB-CD1 4.13Å; L110-I117 HydrophobicContact CB-CG1 4.03Å; L110-I117 HydrophobicContact CD2-CD1 4.42Å; L110-I117 PolarHBondContact O-N 2.88Å; L112-I117 HydrophobicContact CB-CG2 4.29Å; L112-I117 HydrophobicContact CD1-CD1 4.38Å; L112-I117 HydrophobicContact CD1-CG2 3.74Å; L112-I117 HydrophobicContact CG-CG2 3.9Å; I117-V119 HydrophobicContact CD1-CG2 4.25Å; I117-V119 HydrophobicContact CG1-CG2 4.38Å | ||
| 118 | K | 91.6 | Very high | 79 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.6 | 173.6 | -177.7 | 172.4 | -178 | 172 | 0 | 109.6 | V50 N51 Y52 N108 | V50-K118 WeakPolarHBondContact CA-O 3.18Å; N51-K118 HydrophobicContact CB-CB 4.46Å; N51-K118 PolarHBondContact N-O 3.27Å; N51-K118 PolarHBondContact O-N 2.71Å; Y52-K118 HydrophobicContact CD2-CB 3.91Å; Y52-K118 HydrophobicContact CE2-CB 4.22Å; N108-K118 WeakPolarHBondContact OD1-CA 3.21Å |
| 119 | V | 92.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.9 | 174.1 | -171 | 0 | 0 | 0 | 0 | 108.1 | L48 V50 F66 I104 L107 N108 I117 | L48-V119 HydrophobicContact CB-CG1 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.75Å; V50-V119 HydrophobicContact CG1-CG2 4.13Å; V50-V119 HydrophobicContact CG2-CG1 4.43Å; V50-V119 HydrophobicContact CG2-CG2 4.34Å; F66-V119 HydrophobicContact CE1-CG1 4.11Å; F66-V119 HydrophobicContact CE1-CG2 3.89Å; F66-V119 HydrophobicContact CZ-CG2 3.76Å; I104-V119 HydrophobicContact CG1-CG1 3.95Å; L107-V119 HydrophobicContact CB-CG2 3.99Å; N108-V119 HydrophobicContact CB-CB 4Å; N108-V119 PolarHBondContact OD1-N 3.36Å; N108-V119 PolarHBondContact OD1-O 3.46Å; I117-V119 HydrophobicContact CD1-CG2 4.25Å; I117-V119 HydrophobicContact CG1-CG2 4.38Å |
| 120 | S | 89.3 | Confident | 76.1 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158.8 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 109 | L48 I49 A122 | L48-S120 CarbonylContact C-O 3.53Å; L48-S120 WeakPolarHBondContact CA-O 3.44Å; I49-S120 PolarHBondContact N-O 2.76Å; I49-S120 PolarHBondContact O-N 2.87Å; S120-A122 PolarHBondContact O-N 3.3Å |
| 121 | Y | 88.8 | Confident | 75 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 127.7 | 169.2 | -64.1 | -68 | 0 | 0 | 0 | 110.1 | K45 L48 I104 | K45-Y121 HydrophobicContact CB-CD1 4.44Å; K45-Y121 HydrophobicContact CB-CE1 4.04Å; K45-Y121 HydrophobicContact CG-CE1 4.48Å; K45-Y121 WeakPolarHBondContact O-CD1 3.34Å; K45-Y121 VanDerWaalsContact O-CE1 3.25Å; K45-Y121 WeakPolarHBondContact O-CE1 3.37Å; L48-Y121 HydrophobicContact CD2-CD1 3.81Å; L48-Y121 HydrophobicContact CD2-CE1 4.25Å; I104-Y121 HydrophobicContact CD1-CD1 3.61Å; I104-Y121 HydrophobicContact CD1-CD2 3.61Å; I104-Y121 HydrophobicContact CD1-CE1 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE1 3.46Å; I104-Y121 HydrophobicContact CD1-CE2 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE2 3.46Å; I104-Y121 HydrophobicContact CD1-CG 3.68Å |
| 122 | A | 79.2 | Confident | 74.7 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 140.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | N47 L48 I49 F91 S120 | N47-A122 HydrophobicContact CB-CB 4.1Å; N47-A122 PolarHBondContact O-N 2.82Å; L48-A122 VanDerWaalsContact C-CB 3.47Å; I49-A122 HydrophobicContact CB-CB 3.97Å; I49-A122 HydrophobicContact CG2-CB 4.37Å; F91-A122 HydrophobicContact CD1-CB 4.13Å; F91-A122 HydrophobicContact CE1-CB 4.37Å; S120-A122 PolarHBondContact O-N 3.3Å |
| 123 | R | 72.3 | Confident | 74.8 | Confident | 178 Ų | 178 | 64.6 Ų | 64.6 | 67% | 0.672 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 147 | 161.7 | -64.1 | -173.8 | -178.1 | -170.3 | -0.3 | 108.6 | S125 | R123-S125 PolarHBondContact O-N 3.18Š|
| 124 | P | 62.8 | Low | 75.3 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -47.4 | 138.1 | -177.7 | 16.7 | -31.3 | 0 | 0 | 0 | 111.6 | S126 | P124-S126 PolarHBondContact O-N 2.93Š|
| 125 | S | 55.8 | Low | 75.7 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 46% | 0.462 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 139.8 | -161.4 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | R123 A127 S128 | R123-S125 PolarHBondContact O-N 3.18Å; S125-A127 PolarHBondContact O-N 3.47Å; S125-A127 PolarHBondContact OG-N 3.47Å; S125-S128 PolarHBondContact O-N 2.86Å; S125-S128 VanDerWaalsContact O-N 3.12Å; S125-S128 PolarHBondContact O-OG 2.89Å |
| 126 | S | 57.4 | Low | 76 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 15.2 | 170.3 | -87.9 | 0 | 0 | 0 | 0 | 114.6 | P124 R130 R179 | P124-S126 PolarHBondContact O-N 2.93Å; S126-R130 WeakPolarHBondContact O-CG 3.4Å; S126-R130 PolarHBondContact O-NE 3.41Å; S126-R130 VanDerWaalsContact O-NE 3.09Å; S126-R179 PolarHBondContact OG-NH1 3.46Å; S126-R179 PolarHBondContact OG-NH2 3.2Å |
| 127 | A | 51.3 | Low | 76 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -50.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S125 I129 R130 | S125-A127 PolarHBondContact O-N 3.47Å; S125-A127 PolarHBondContact OG-N 3.47Å; A127-I129 VanDerWaalsContact C-N 3.28Å; A127-I129 PolarHBondContact O-N 2.98Å; A127-R130 WeakPolarHBondContact O-CG 3.42Å; A127-R130 PolarHBondContact O-N 3.02Å |
| 128 | S | 53.2 | Low | 75.7 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 51% | 0.51 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.8 | -178.4 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | S125 | S125-S128 PolarHBondContact O-N 2.86Å; S125-S128 VanDerWaalsContact O-N 3.12Å; S125-S128 PolarHBondContact O-OG 2.89Å |
| 129 | I | 59 | Low | 75.5 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 30.7 | 178.1 | 54.4 | 168.9 | 0 | 0 | 0 | 112.8 | A127 A132 I159 R179 F180 D181 | A127-I129 VanDerWaalsContact C-N 3.28Å; A127-I129 PolarHBondContact O-N 2.98Å; I129-A132 HydrophobicContact CB-CB 4.02Å; I129-A132 HydrophobicContact CG2-CB 4.04Å; I129-I159 HydrophobicContact CD1-CD1 3.29Å; I129-I159 HydrophobicContact CG1-CD1 4.46Å; I129-I159 HydrophobicContact CG2-CD1 4.3Å; I129-R179 PolarHBondContact O-NE 2.75Å; I129-R179 PolarHBondContact O-NH2 3.37Å; I129-F180 WeakPolarHBondContact CG2-O 3.4Å; I129-D181 WeakPolarHBondContact CG2-O 3.5Å |
| 130 | R | 59.4 | Low | 75.1 | Confident | 139 Ų | 139 | 47.7 Ų | 47.7 | 53% | 0.525 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -71.6 | -40.6 | 168.3 | -69.6 | -171.8 | -174.2 | 168.5 | 15.9 | 111.4 | S126 A127 | S126-R130 WeakPolarHBondContact O-CG 3.4Å; S126-R130 PolarHBondContact O-NE 3.41Å; S126-R130 VanDerWaalsContact O-NE 3.09Å; A127-R130 WeakPolarHBondContact O-CG 3.42Å; A127-R130 PolarHBondContact O-N 3.02Å |
| 131 | D | 65.2 | Low | 74.7 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -104.4 | 12.7 | -174.4 | -44.3 | -57.8 | 0 | 0 | 0 | 111.6 | F209 | D131-F209 WeakPolarHBondContact O-CD1 3.45Å; D131-F209 WeakPolarHBondContact O-CE1 3.32Å |
| 132 | A | 79.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -93.7 | 9.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | I129 F180 | I129-A132 HydrophobicContact CB-CB 4.02Å; I129-A132 HydrophobicContact CG2-CB 4.04Å; A132-F180 HydrophobicContact CB-CB 4.38Å; A132-F180 WeakPolarHBondContact CB-O 3.35Å; A132-F180 PolarHBondContact O-N 3.01Å | ||
| 133 | N | 87.3 | Confident | 74.7 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.4 | 172.1 | -68.1 | 9.4 | 0 | 0 | 0 | 109.7 | I178 R179 A210 | N133-I178 CarbonylContact C-O 3.57Å; N133-I178 WeakPolarHBondContact CA-O 3.28Å; N133-R179 WeakPolarHBondContact OD1-CD 3.25Å; N133-R179 WeakPolarHBondContact OD1-CG 3.14Å; N133-R179 PolarHBondContact OD1-NE 3.4Å; N133-A210 HydrophobicContact CB-CB 3.94Å; N133-A210 PolarHBondContact O-N 2.85Å |
| 134 | L | 89.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.3 | 171 | -59.1 | -172 | 0 | 0 | 0 | 111.5 | F152 F177 I178 F180 A186 A189 I190 V207 K208 F209 | L134-F152 HydrophobicContact CD1-CD1 4.42Å; L134-F152 HydrophobicContact CD1-CE1 4.17Å; L134-F177 VanDerWaalsContact O-CA 3.32Å; L134-F177 WeakPolarHBondContact O-CA 3.48Å; L134-I178 PolarHBondContact N-O 2.93Å; L134-I178 PolarHBondContact O-N 2.76Å; L134-F180 HydrophobicContact CD1-CD2 4.06Å; L134-F180 HydrophobicContact CD1-CE2 3.68Å; L134-F180 HydrophobicContact CG-CD2 4.34Å; L134-F180 HydrophobicContact CG-CE2 4.39Å; L134-A186 HydrophobicContact CD1-CB 4.3Å; L134-A186 HydrophobicContact CD2-CB 3.91Å; L134-A186 HydrophobicContact CG-CB 4.08Å; L134-A189 HydrophobicContact CD1-CB 3.9Å; L134-I190 HydrophobicContact CD1-CG1 4.27Å; L134-I190 HydrophobicContact CD2-CD1 3.52Å; L134-I190 HydrophobicContact CD2-CG1 3.64Å; L134-V207 HydrophobicContact CB-CG1 4.46Å; L134-V207 HydrophobicContact CD1-CG1 3.75Å; L134-K208 CarbonylContact C-O 3.53Å; L134-K208 WeakPolarHBondContact CA-O 3.34Å; L134-F209 HydrophobicContact CD2-CD1 3.83Å; L134-F209 HydrophobicContact CD2-CE1 4.08Å |
| 135 | Y | 90.8 | Very high | 76.7 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.3 | 166.4 | 172.9 | -91.3 | 0 | 0 | 0 | 107.5 | S137 V175 F177 K208 | Y135-S137 WeakPolarHBondContact CE1-OG 3.28Å; Y135-V175 HydrophobicContact CD2-CG1 4.19Å; Y135-V175 HydrophobicContact CE2-CG1 3.45Å; Y135-V175 VanDerWaalsContact CE2-CG1 3.45Å; Y135-F177 HydrophobicContact CD2-CD1 4.43Å; Y135-F177 AromaticContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE2 4.39Å; Y135-F177 AromaticContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CE2-CZ 4.22Å; Y135-K208 PolarHBondContact N-O 3.17Å; Y135-K208 PolarHBondContact O-N 3.5Å |
| 136 | V | 90.5 | Very high | 78.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.5 | 179.5 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | L139 L148 F152 V175 G176 I178 I205 T206 V207 | V136-L139 HydrophobicContact CB-CD1 4.36Å; V136-L139 HydrophobicContact CG1-CD1 4.13Å; V136-L139 HydrophobicContact CG1-CD2 3.77Å; V136-L139 HydrophobicContact CG1-CG 3.92Å; V136-L148 HydrophobicContact CG1-CD1 4.45Å; V136-F152 HydrophobicContact CB-CZ 4.46Å; V136-F152 HydrophobicContact CG1-CE2 4.33Å; V136-F152 HydrophobicContact CG1-CZ 4.03Å; V136-F152 HydrophobicContact CG2-CE1 4.02Å; V136-F152 HydrophobicContact CG2-CE2 4.19Å; V136-F152 HydrophobicContact CG2-CZ 3.53Å; V136-V175 CarbonylContact O-C 3.54Å; V136-V175 VanDerWaalsContact O-CA 3.3Å; V136-V175 WeakPolarHBondContact O-CA 3.21Å; V136-G176 PolarHBondContact N-O 3.2Å; V136-G176 PolarHBondContact O-N 2.96Å; V136-I178 HydrophobicContact CG2-CD1 3.94Å; V136-I178 HydrophobicContact CG2-CG1 4.31Å; V136-I205 HydrophobicContact CG1-CB 4.39Å; V136-T206 WeakPolarHBondContact CA-O 3.44Å; V136-V207 HydrophobicContact CG1-CG2 4.32Å; V136-V207 HydrophobicContact CG2-CG1 4.48Å |
| 137 | S | 89.3 | Confident | 79.7 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.7 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | Y135 G174 I205 T206 | Y135-S137 WeakPolarHBondContact CE1-OG 3.28Å; S137-G174 CarbonylContact C-O 3.59Å; S137-G174 WeakPolarHBondContact CA-O 3.4Å; S137-I205 CarbonylContact O-C 3.52Å; S137-I205 VanDerWaalsContact O-CA 3.32Å; S137-I205 WeakPolarHBondContact O-CA 3.37Å; S137-T206 PolarHBondContact N-O 2.86Å; S137-T206 PolarHBondContact O-N 2.83Å |
| 138 | G | 85.5 | Confident | 81.5 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 86.8 | 15.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G174 | G138-G174 PolarHBondContact N-O 3.46Š|
| 139 | L | 86.8 | Confident | 83.2 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | trans | -69 | 143.7 | 176 | -65.1 | 171.3 | 0 | 0 | 0 | 110.6 | V136 M143 L148 G174 I205 | V136-L139 HydrophobicContact CB-CD1 4.36Å; V136-L139 HydrophobicContact CG1-CD1 4.13Å; V136-L139 HydrophobicContact CG1-CD2 3.77Å; V136-L139 HydrophobicContact CG1-CG 3.92Å; L139-M143 HydrophobicContact CD2-CE 4.41Å; L139-M143 HydrophobicContact CD2-SD 3.76Å; L139-L148 HydrophobicContact CD1-CD1 3.9Å; L139-L148 HydrophobicContact CD1-CD2 4.04Å; L139-L148 HydrophobicContact CD2-CD1 3.7Å; L139-L148 HydrophobicContact CG-CD1 4.48Å; L139-G174 PolarHBondContact N-O 3.01Å; L139-G174 WeakPolarHBondContact O-CA 3.11Å; L139-I205 HydrophobicContact CD2-CG2 3.88Å | ||
| 140 | P | 83.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.071 | 31% | 0.31 | C | S | . | . | trans | -55.6 | 144.3 | 170.8 | -16.3 | 24.3 | 0 | 0 | 0 | 111.7 | T142 M143 A201 | P140-T142 PolarHBondContact O-N 3.48Å; P140-M143 HydrophobicContact CB-CB 3.91Å; P140-M143 HydrophobicContact CG-CB 3.86Å; P140-M143 HydrophobicContact CG-SD 4.15Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 2.8Å; P140-A201 HydrophobicContact CG-CB 3.87Å | ||
| 141 | K | 82.8 | Confident | 85.9 | Confident | 159 Ų | 159 | 58.9 Ų | 58.9 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.3 | 173.2 | -70.6 | -176.6 | 170.6 | 177.9 | 0 | 113 | V171 S172 | K141-V171 HydrophobicContact CD-CG1 3.98Å; K141-V171 HydrophobicContact CG-CG1 4.38Å; K141-S172 WeakPolarHBondContact O-CB 3.03Å |
| 142 | T | 83.5 | Confident | 87 | Confident | 119 Ų | 119 | 54.7 Ų | 54.7 | 73% | 0.73 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -17.2 | 175.6 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | P140 T144 | P140-T142 PolarHBondContact O-N 3.48Å; T142-T144 PolarHBondContact O-N 3.06Å |
| 143 | M | 84.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | trans | -75 | 126.4 | -170.3 | -170.7 | 166.7 | 178.8 | 0 | 0 | 111.2 | L139 P140 E147 L148 L151 I163 | L139-M143 HydrophobicContact CD2-CE 4.41Å; L139-M143 HydrophobicContact CD2-SD 3.76Å; P140-M143 HydrophobicContact CB-CB 3.91Å; P140-M143 HydrophobicContact CG-CB 3.86Å; P140-M143 HydrophobicContact CG-SD 4.15Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 2.8Å; M143-E147 HydrophobicContact CE-CB 4.05Å; M143-E147 HydrophobicContact CG-CB 4.09Å; M143-L148 HydrophobicContact CE-CB 4.2Å; M143-L148 HydrophobicContact CE-CD1 4.29Å; M143-L151 HydrophobicContact CE-CD2 4.11Å; M143-I163 WeakPolarHBondContact O-CD1 3.38Å | ||
| 144 | T | 87.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | trans | -86.5 | 161.9 | -177.7 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | T142 K146 E147 L148 I163 | T142-T144 PolarHBondContact O-N 3.06Å; T144-K146 PolarHBondContact O-N 2.74Å; T144-E147 VanDerWaalsContact CB-OE2 3.27Å; T144-E147 WeakPolarHBondContact CB-OE2 3.46Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.45Å; T144-E147 PolarHBondContact N-OE2 3.12Å; T144-E147 PolarHBondContact O-N 3.42Å; T144-E147 WeakPolarHBondContact OG1-CG 3.38Å; T144-E147 PolarHBondContact OG1-N 2.86Å; T144-E147 PolarHBondContact OG1-OE2 2.71Å; T144-L148 PolarHBondContact O-N 2.84Å; T144-L148 VanDerWaalsContact O-N 3.07Å; T144-I163 VanDerWaalsContact C-CD1 3.46Å | ||
| 145 | Q | 87.9 | Confident | 87.5 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.9 | -34 | 173.1 | -179.7 | 177.7 | -20 | 0 | 0 | 112.1 | L148 E149 S161 | Q145-L148 PolarHBondContact O-N 3.46Å; Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 3.38Å; Q145-S161 WeakPolarHBondContact CG-OG 3.44Å; Q145-S161 PolarHBondContact NE2-O 3.32Å; Q145-S161 PolarHBondContact NE2-OG 2.72Å |
| 146 | K | 88.3 | Confident | 87.2 | Confident | 161 Ų | 161 | 61.9 Ų | 61.9 | 70% | 0.7 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.7 | -43.2 | 179.5 | -173.3 | -175.2 | 176.5 | -172.1 | 0 | 112 | T144 L148 E149 Q150 | T144-K146 PolarHBondContact O-N 2.74Å; K146-L148 VanDerWaalsContact C-N 3.33Å; K146-E149 PolarHBondContact O-N 3.38Å; K146-Q150 WeakPolarHBondContact O-CB 3.47Å; K146-Q150 PolarHBondContact O-N 3.42Å |
| 147 | E | 88.2 | Confident | 87 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 176.7 | -67.8 | 157.1 | 127.1 | 0 | 0 | 111.4 | M143 T144 Q150 L151 | M143-E147 HydrophobicContact CE-CB 4.05Å; M143-E147 HydrophobicContact CG-CB 4.09Å; T144-E147 VanDerWaalsContact CB-OE2 3.27Å; T144-E147 WeakPolarHBondContact CB-OE2 3.46Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.45Å; T144-E147 PolarHBondContact N-OE2 3.12Å; T144-E147 PolarHBondContact O-N 3.42Å; T144-E147 WeakPolarHBondContact OG1-CG 3.38Å; T144-E147 PolarHBondContact OG1-N 2.86Å; T144-E147 PolarHBondContact OG1-OE2 2.71Å; E147-Q150 PolarHBondContact O-N 3.41Å; E147-L151 WeakPolarHBondContact O-CB 3.35Å; E147-L151 PolarHBondContact O-N 3.14Å |
| 148 | L | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.1 | -175.4 | 66.2 | 0 | 0 | 0 | 111.9 | V136 L139 M143 T144 Q145 K146 F152 I163 I178 | V136-L148 HydrophobicContact CG1-CD1 4.45Å; L139-L148 HydrophobicContact CD1-CD1 3.9Å; L139-L148 HydrophobicContact CD1-CD2 4.04Å; L139-L148 HydrophobicContact CD2-CD1 3.7Å; L139-L148 HydrophobicContact CG-CD1 4.48Å; M143-L148 HydrophobicContact CE-CB 4.2Å; M143-L148 HydrophobicContact CE-CD1 4.29Å; T144-L148 PolarHBondContact O-N 2.84Å; T144-L148 VanDerWaalsContact O-N 3.07Å; Q145-L148 PolarHBondContact O-N 3.46Å; K146-L148 VanDerWaalsContact C-N 3.33Å; L148-F152 HydrophobicContact CD1-CD2 3.92Å; L148-F152 HydrophobicContact CD1-CE2 3.69Å; L148-F152 WeakPolarHBondContact O-CD2 3.36Å; L148-F152 PolarHBondContact O-N 3.32Å; L148-I163 HydrophobicContact CB-CD1 4.47Å; L148-I163 HydrophobicContact CD2-CD1 4.22Å; L148-I163 HydrophobicContact CD2-CG1 3.76Å; L148-I178 HydrophobicContact CD1-CD1 3.88Å; L148-I178 HydrophobicContact CD2-CD1 4.2Å; L148-I178 HydrophobicContact CD2-CG1 4.17Å; L148-I178 HydrophobicContact CG-CD1 3.76Å; L148-I178 HydrophobicContact CG-CG1 4.24Å |
| 149 | E | 89.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 175.4 | -166.1 | 166 | 123.2 | 0 | 0 | 111.2 | Q145 K146 F152 S153 I158 S161 | Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 3.38Å; K146-E149 PolarHBondContact O-N 3.38Å; E149-F152 PolarHBondContact O-N 3.04Å; E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.18Å; E149-S153 PolarHBondContact O-OG 2.69Å; E149-I158 HydrophobicContact CB-CD1 4.42Å; E149-I158 HydrophobicContact CG-CB 4.43Å; E149-I158 HydrophobicContact CG-CD1 3.81Å; E149-I158 HydrophobicContact CG-CG2 4.33Å; E149-I158 VanDerWaalsContact O-CD1 3.3Å; E149-I158 WeakPolarHBondContact O-CD1 3.25Å; E149-S161 VanDerWaalsContact OE2-CB 3.31Å; E149-S161 WeakPolarHBondContact OE2-CB 3.35Å; E149-S161 PolarHBondContact OE2-OG 3.48Å |
| 150 | Q | 88.6 | Confident | 86.6 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60 | -49.1 | 178.1 | -174.1 | 172 | -21.1 | 0 | 0 | 112.1 | K146 E147 F152 S153 | K146-Q150 WeakPolarHBondContact O-CB 3.47Å; K146-Q150 PolarHBondContact O-N 3.42Å; E147-Q150 PolarHBondContact O-N 3.41Å; Q150-F152 VanDerWaalsContact C-N 3.3Å; Q150-F152 PolarHBondContact O-N 3.07Å; Q150-S153 PolarHBondContact O-N 3.27Å; Q150-S153 PolarHBondContact O-OG 2.88Å |
| 151 | L | 87.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 179.3 | 179.9 | 64.6 | 0 | 0 | 0 | 113.3 | M143 E147 Q154 L193 P198 I205 | M143-L151 HydrophobicContact CE-CD2 4.11Å; E147-L151 WeakPolarHBondContact O-CB 3.35Å; E147-L151 PolarHBondContact O-N 3.14Å; L151-Q154 WeakPolarHBondContact O-CG 3.35Å; L151-L193 HydrophobicContact CD1-CD2 4.09Å; L151-L193 HydrophobicContact CG-CD1 4.27Å; L151-L193 HydrophobicContact CG-CD2 4.21Å; L151-P198 HydrophobicContact CD2-CB 4.23Å; L151-I205 HydrophobicContact CD2-CD1 4.17Å |
| 152 | F | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -90.3 | -22.1 | -177.7 | -81.8 | -104 | 0 | 0 | 0 | 113.1 | L134 V136 L148 E149 Q150 Q154 Y155 I158 I178 F180 A189 L193 I205 V207 | L134-F152 HydrophobicContact CD1-CD1 4.42Å; L134-F152 HydrophobicContact CD1-CE1 4.17Å; V136-F152 HydrophobicContact CB-CZ 4.46Å; V136-F152 HydrophobicContact CG1-CE2 4.33Å; V136-F152 HydrophobicContact CG1-CZ 4.03Å; V136-F152 HydrophobicContact CG2-CE1 4.02Å; V136-F152 HydrophobicContact CG2-CE2 4.19Å; V136-F152 HydrophobicContact CG2-CZ 3.53Å; L148-F152 HydrophobicContact CD1-CD2 3.92Å; L148-F152 HydrophobicContact CD1-CE2 3.69Å; L148-F152 WeakPolarHBondContact O-CD2 3.36Å; L148-F152 PolarHBondContact O-N 3.32Å; E149-F152 PolarHBondContact O-N 3.04Å; Q150-F152 VanDerWaalsContact C-N 3.3Å; Q150-F152 PolarHBondContact O-N 3.07Å; F152-Q154 PolarHBondContact O-N 3.23Å; F152-Q154 VanDerWaalsContact O-N 3.15Å; F152-Y155 PolarHBondContact O-N 3.28Å; F152-Y155 VanDerWaalsContact O-N 3.08Å; F152-I158 HydrophobicContact CB-CD1 3.73Å; F152-I178 HydrophobicContact CB-CD1 3.77Å; F152-I178 HydrophobicContact CD1-CD1 3.47Å; F152-I178 VanDerWaalsContact CD1-CD1 3.47Å; F152-I178 HydrophobicContact CD2-CD1 3.35Å; F152-I178 HydrophobicContact CE1-CD1 3.78Å; F152-I178 HydrophobicContact CE2-CD1 3.67Å; F152-I178 HydrophobicContact CG-CD1 3.23Å; F152-I178 HydrophobicContact CZ-CD1 3.87Å; F152-F180 HydrophobicContact CB-CZ 3.99Å; F152-F180 HydrophobicContact CD1-CE2 4.08Å; F152-F180 HydrophobicContact CD1-CZ 4.08Å; F152-F180 WeakPolarHBondContact O-CZ 3.5Å; F152-A189 HydrophobicContact CD1-CB 4.15Å; F152-A189 HydrophobicContact CE1-CB 4.47Å; F152-L193 HydrophobicContact CD1-CD1 3.58Å; F152-L193 HydrophobicContact CD2-CD1 3.74Å; F152-L193 HydrophobicContact CE1-CD1 3.5Å; F152-L193 VanDerWaalsContact CE1-CD1 3.5Å; F152-L193 HydrophobicContact CE2-CD1 3.65Å; F152-L193 HydrophobicContact CG-CD1 3.72Å; F152-L193 HydrophobicContact CZ-CB 4.43Å; F152-L193 HydrophobicContact CZ-CD1 3.53Å; F152-I205 HydrophobicContact CE2-CD1 4.4Å; F152-I205 HydrophobicContact CZ-CD1 4.44Å; F152-V207 HydrophobicContact CE1-CG1 3.78Å; F152-V207 HydrophobicContact CE1-CG2 4.15Å; F152-V207 HydrophobicContact CZ-CG1 4.17Å; F152-V207 HydrophobicContact CZ-CG2 3.73Å |
| 153 | S | 89.4 | Confident | 87.4 | Confident | 63 Ų | 63 | 70.3 Ų | 70.3 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -23.3 | -179.7 | 67 | 0 | 0 | 0 | 0 | 114.1 | E149 Q150 Y155 G156 | E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.18Å; E149-S153 PolarHBondContact O-OG 2.69Å; Q150-S153 PolarHBondContact O-N 3.27Å; Q150-S153 PolarHBondContact O-OG 2.88Å; S153-Y155 PolarHBondContact O-N 2.87Å; S153-G156 PolarHBondContact O-N 2.77Å |
| 154 | Q | 88.6 | Confident | 87.5 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.5 | 175.8 | 76.3 | -172.5 | 25.1 | 0 | 0 | 114.3 | L151 F152 | L151-Q154 WeakPolarHBondContact O-CG 3.35Å; F152-Q154 PolarHBondContact O-N 3.23Å; F152-Q154 VanDerWaalsContact O-N 3.15Å |
| 155 | Y | 87.7 | Confident | 87.5 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.5 | 178.4 | -62.8 | -82.9 | 0 | 0 | 0 | 113.7 | F152 S153 E185 E188 A189 L193 | F152-Y155 PolarHBondContact O-N 3.28Å; F152-Y155 VanDerWaalsContact O-N 3.08Å; S153-Y155 PolarHBondContact O-N 2.87Å; Y155-E185 WeakPolarHBondContact O-CB 3.48Å; Y155-E188 HydrophobicContact CD1-CB 4.37Å; Y155-A189 HydrophobicContact CD2-CB 4.18Å; Y155-A189 HydrophobicContact CG-CB 3.92Å; Y155-L193 HydrophobicContact CD2-CD1 3.93Å; Y155-L193 HydrophobicContact CD2-CG 4.26Å; Y155-L193 HydrophobicContact CE2-CD1 3.53Å; Y155-L193 HydrophobicContact CE2-CD2 3.83Å; Y155-L193 HydrophobicContact CE2-CG 3.45Å; Y155-L193 VanDerWaalsContact CE2-CG 3.45Å |
| 156 | G | 85.3 | Confident | 87.3 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 157.3 | -179 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S153 I158 E185 | S153-G156 PolarHBondContact O-N 2.77Å; G156-I158 PolarHBondContact O-N 2.66Å; G156-E185 VanDerWaalsContact CA-OE2 3.28Å; G156-E185 WeakPolarHBondContact CA-OE2 3.22Å |
| 157 | R | 85.2 | Confident | 86.9 | Confident | 177 Ų | 177 | 71.4 Ų | 71.4 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | trans | -83.7 | 115.2 | -174.2 | -179.6 | 176.9 | -66.5 | -110.2 | -0.3 | 110.2 | F180 D181 E185 | R157-F180 CarbonylContact O-C 3.52Å; R157-F180 WeakPolarHBondContact O-CA 3.13Å; R157-D181 HydrophobicContact CB-CB 3.83Å; R157-D181 HydrophobicContact CG-CB 4.1Å; R157-D181 WeakPolarHBondContact O-CB 3.36Å; R157-D181 PolarHBondContact O-N 2.89Å; R157-E185 PolarHBondContact N-OE2 2.83Å | ||
| 158 | I | 88.2 | Confident | 86.5 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.8 | 175.6 | -62.8 | 169.8 | 0 | 0 | 0 | 109.7 | E149 F152 G156 I178 R179 F180 | E149-I158 HydrophobicContact CB-CD1 4.42Å; E149-I158 HydrophobicContact CG-CB 4.43Å; E149-I158 HydrophobicContact CG-CD1 3.81Å; E149-I158 HydrophobicContact CG-CG2 4.33Å; E149-I158 VanDerWaalsContact O-CD1 3.3Å; E149-I158 WeakPolarHBondContact O-CD1 3.25Å; F152-I158 HydrophobicContact CB-CD1 3.73Å; G156-I158 PolarHBondContact O-N 2.66Å; I158-I178 HydrophobicContact CD1-CG2 4Å; I158-I178 HydrophobicContact CG1-CG2 3.9Å; I158-I178 HydrophobicContact CG2-CG2 4.01Å; I158-R179 CarbonylContact C-O 3.56Å; I158-R179 WeakPolarHBondContact CA-O 3.5Å; I158-F180 HydrophobicContact CG1-CD1 4.37Å; I158-F180 HydrophobicContact CG1-CE1 4.01Å; I158-F180 HydrophobicContact CG1-CZ 4.24Å |
| 159 | I | 83.1 | Confident | 86.2 | Confident | 32 Ų | 32 | 77.7 Ų | 77.7 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -43.7 | 172 | -58.9 | 179.6 | 0 | 0 | 0 | 110.5 | I129 R179 D181 | I129-I159 HydrophobicContact CD1-CD1 3.29Å; I129-I159 HydrophobicContact CG1-CD1 4.46Å; I129-I159 HydrophobicContact CG2-CD1 4.3Å; I159-R179 HydrophobicContact CB-CG 4.36Å; I159-R179 PolarHBondContact N-O 3.1Å; I159-D181 HydrophobicContact CD1-CB 4.32Å; I159-D181 WeakPolarHBondContact CD1-OD1 3.31Å; I159-D181 HydrophobicContact CG1-CB 4.18Å |
| 160 | T | 83.3 | Confident | 85.7 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 126.6 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | I178 R179 | T160-I178 CarbonylContact O-C 3.49Å; T160-I178 WeakPolarHBondContact O-CA 3.5Å; T160-R179 PolarHBondContact O-N 3.44Å; T160-R179 WeakPolarHBondContact OG1-CB 3.35Å |
| 161 | S | 88.5 | Confident | 85.2 | Confident | 11 Ų | 11 | 73 Ų | 73 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 151.8 | 160.3 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | Q145 E149 F177 | Q145-S161 WeakPolarHBondContact CG-OG 3.44Å; Q145-S161 PolarHBondContact NE2-O 3.32Å; Q145-S161 PolarHBondContact NE2-OG 2.72Å; E149-S161 VanDerWaalsContact OE2-CB 3.31Å; E149-S161 WeakPolarHBondContact OE2-CB 3.35Å; E149-S161 PolarHBondContact OE2-OG 3.48Å; S161-F177 CarbonylContact C-O 3.59Å |
| 162 | R | 87 | Confident | 85 | Confident | 166 Ų | 166 | 71.8 Ų | 71.8 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 136.7 | 167.8 | -178.2 | 172.5 | -178.4 | 171.9 | 3.6 | 111 | G176 F177 | R162-G176 CarbonylContact O-C 3.52Å; R162-G176 WeakPolarHBondContact O-CA 3.34Å; R162-F177 PolarHBondContact N-O 3.1Å; R162-F177 PolarHBondContact O-N 3.49Å |
| 163 | I | 90 | Very high | 84.8 | Confident | 23 Ų | 23 | 79.8 Ų | 79.8 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 144.2 | 167.4 | -65.7 | -177 | 0 | 0 | 0 | 109.9 | M143 T144 L148 | M143-I163 WeakPolarHBondContact O-CD1 3.38Å; T144-I163 VanDerWaalsContact C-CD1 3.46Å; L148-I163 HydrophobicContact CB-CD1 4.47Å; L148-I163 HydrophobicContact CD2-CD1 4.22Å; L148-I163 HydrophobicContact CD2-CG1 3.76Å |
| 164 | L | 87.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 77.3 Ų | 77.3 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 104.4 | 169.4 | -96.5 | 59.9 | 0 | 0 | 0 | 109.2 | R173 V175 F177 | L164-R173 WeakPolarHBondContact O-CB 3.26Å; L164-R173 PolarHBondContact O-N 3.46Å; L164-V175 HydrophobicContact CB-CB 4.39Å; L164-V175 HydrophobicContact CB-CG1 4.47Å; L164-V175 HydrophobicContact CD2-CG1 4.22Å; L164-V175 PolarHBondContact N-O 3.25Å; L164-F177 HydrophobicContact CD1-CD2 3.57Å; L164-F177 HydrophobicContact CD1-CE2 3.56Å; L164-F177 HydrophobicContact CD2-CE2 3.95Å; L164-F177 HydrophobicContact CG-CE2 4.41Å |
| 165 | V | 87.1 | Confident | 84.6 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 151.1 | 158.7 | -64.1 | 0 | 0 | 0 | 0 | 110 | V171 | V165-V171 CarbonylContact C-O 3.6Å; V165-V171 WeakPolarHBondContact CA-O 3.03Å |
| 166 | D | 84.3 | Confident | 84.7 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -70.5 | 137.3 | 162.7 | 171.9 | 36.1 | 0 | 0 | 0 | 109.6 | V168 T169 G170 V171 R173 | D166-V168 PolarHBondContact OD1-N 3.45Å; D166-T169 WeakPolarHBondContact OD2-CB 2.99Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T169 PolarHBondContact OD2-N 3.05Å; D166-T169 PolarHBondContact OD2-OG1 3.01Å; D166-G170 WeakPolarHBondContact O-CA 3.33Å; D166-G170 PolarHBondContact O-N 2.96Å; D166-V171 PolarHBondContact N-O 2.81Å; D166-R173 HydrophobicContact CB-CG 4.04Å | ||
| 167 | Q | 78.9 | Confident | 85 | Confident | 187 Ų | 187 | 71.9 Ų | 71.9 | 87% | 0.874 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -21.4 | -177.2 | -66.2 | -178.7 | -0.2 | 0 | 0 | 112.6 | ||
| 168 | V | 81.1 | Confident | 85.3 | Confident | 136 Ų | 136 | 63.6 Ų | 63.6 | 82% | 0.824 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -47.2 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | D166 | D166-V168 PolarHBondContact OD1-N 3.45Š|
| 169 | T | 81.1 | Confident | 85.2 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -12.6 | -176.8 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | D166 V171 | D166-T169 WeakPolarHBondContact OD2-CB 2.99Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T169 PolarHBondContact OD2-N 3.05Å; D166-T169 PolarHBondContact OD2-OG1 3.01Å; T169-V171 PolarHBondContact O-N 2.86Å; T169-V171 VanDerWaalsContact O-N 3.13Å; T169-V171 PolarHBondContact OG1-N 2.81Å |
| 170 | G | 78.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 63 Ų | 63 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | trans | 71.1 | -5.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D166 | D166-G170 WeakPolarHBondContact O-CA 3.33Å; D166-G170 PolarHBondContact O-N 2.96Å | ||
| 171 | V | 79.6 | Confident | 85.3 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 39% | 0.394 | 32% | 0.317 | S | S | . | . | trans | -77.3 | 140.3 | -174.1 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | K141 V165 D166 T169 R173 | K141-V171 HydrophobicContact CD-CG1 3.98Å; K141-V171 HydrophobicContact CG-CG1 4.38Å; V165-V171 CarbonylContact C-O 3.6Å; V165-V171 WeakPolarHBondContact CA-O 3.03Å; D166-V171 PolarHBondContact N-O 2.81Å; T169-V171 PolarHBondContact O-N 2.86Å; T169-V171 VanDerWaalsContact O-N 3.13Å; T169-V171 PolarHBondContact OG1-N 2.81Å; V171-R173 PolarHBondContact O-N 3.43Å | ||
| 172 | S | 83.3 | Confident | 85 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 128.7 | 170.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | K141 G174 | K141-S172 WeakPolarHBondContact O-CB 3.03Å; S172-G174 PolarHBondContact O-N 3.03Å; S172-G174 PolarHBondContact OG-N 3.41Å |
| 173 | R | 83.2 | Confident | 84.8 | Confident | 168 Ų | 168 | 62.4 Ų | 62.4 | 63% | 0.634 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 6.8 | 176.6 | -62.3 | -173.7 | 62.6 | 163.4 | 0.9 | 113.2 | L164 D166 V171 V175 | L164-R173 WeakPolarHBondContact O-CB 3.26Å; L164-R173 PolarHBondContact O-N 3.46Å; D166-R173 HydrophobicContact CB-CG 4.04Å; V171-R173 PolarHBondContact O-N 3.43Å; R173-V175 PolarHBondContact O-N 3.11Å |
| 174 | G | 85.1 | Confident | 84.6 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.3 | 22.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S137 G138 L139 S172 | S137-G174 CarbonylContact C-O 3.59Å; S137-G174 WeakPolarHBondContact CA-O 3.4Å; G138-G174 PolarHBondContact N-O 3.46Å; L139-G174 PolarHBondContact N-O 3.01Å; L139-G174 WeakPolarHBondContact O-CA 3.11Å; S172-G174 PolarHBondContact O-N 3.03Å; S172-G174 PolarHBondContact OG-N 3.41Å |
| 175 | V | 89.1 | Confident | 84.7 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.4 | -175.3 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | Y135 V136 L164 R173 F177 | Y135-V175 HydrophobicContact CD2-CG1 4.19Å; Y135-V175 HydrophobicContact CE2-CG1 3.45Å; Y135-V175 VanDerWaalsContact CE2-CG1 3.45Å; V136-V175 CarbonylContact O-C 3.54Å; V136-V175 VanDerWaalsContact O-CA 3.3Å; V136-V175 WeakPolarHBondContact O-CA 3.21Å; L164-V175 HydrophobicContact CB-CB 4.39Å; L164-V175 HydrophobicContact CB-CG1 4.47Å; L164-V175 HydrophobicContact CD2-CG1 4.22Å; L164-V175 PolarHBondContact N-O 3.25Å; R173-V175 PolarHBondContact O-N 3.11Å; V175-F177 HydrophobicContact CG1-CE2 4.44Å |
| 176 | G | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 162.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V136 R162 | V136-G176 PolarHBondContact N-O 3.2Å; V136-G176 PolarHBondContact O-N 2.96Å; R162-G176 CarbonylContact O-C 3.52Å; R162-G176 WeakPolarHBondContact O-CA 3.34Å |
| 177 | F | 91.5 | Very high | 84.9 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 31% | 0.311 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.9 | 170.7 | -68.1 | -92 | 0 | 0 | 0 | 109.1 | L134 Y135 S161 R162 L164 V175 A210 | L134-F177 VanDerWaalsContact O-CA 3.32Å; L134-F177 WeakPolarHBondContact O-CA 3.48Å; Y135-F177 HydrophobicContact CD2-CD1 4.43Å; Y135-F177 AromaticContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE2 4.39Å; Y135-F177 AromaticContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CE2-CZ 4.22Å; S161-F177 CarbonylContact C-O 3.59Å; R162-F177 PolarHBondContact N-O 3.1Å; R162-F177 PolarHBondContact O-N 3.49Å; L164-F177 HydrophobicContact CD1-CD2 3.57Å; L164-F177 HydrophobicContact CD1-CE2 3.56Å; L164-F177 HydrophobicContact CD2-CE2 3.95Å; L164-F177 HydrophobicContact CG-CE2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.44Å; F177-A210 HydrophobicContact CD1-CB 3.76Å; F177-A210 HydrophobicContact CE1-CB 3.84Å |
| 178 | I | 90.5 | Very high | 85.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.6 | 178.1 | -56.1 | 176.7 | 0 | 0 | 0 | 107.3 | N133 L134 V136 L148 F152 I158 T160 F180 | N133-I178 CarbonylContact C-O 3.57Å; N133-I178 WeakPolarHBondContact CA-O 3.28Å; L134-I178 PolarHBondContact N-O 2.93Å; L134-I178 PolarHBondContact O-N 2.76Å; V136-I178 HydrophobicContact CG2-CD1 3.94Å; V136-I178 HydrophobicContact CG2-CG1 4.31Å; L148-I178 HydrophobicContact CD1-CD1 3.88Å; L148-I178 HydrophobicContact CD2-CD1 4.2Å; L148-I178 HydrophobicContact CD2-CG1 4.17Å; L148-I178 HydrophobicContact CG-CD1 3.76Å; L148-I178 HydrophobicContact CG-CG1 4.24Å; F152-I178 HydrophobicContact CB-CD1 3.77Å; F152-I178 HydrophobicContact CD1-CD1 3.47Å; F152-I178 VanDerWaalsContact CD1-CD1 3.47Å; F152-I178 HydrophobicContact CD2-CD1 3.35Å; F152-I178 HydrophobicContact CE1-CD1 3.78Å; F152-I178 HydrophobicContact CE2-CD1 3.67Å; F152-I178 HydrophobicContact CG-CD1 3.23Å; F152-I178 HydrophobicContact CZ-CD1 3.87Å; I158-I178 HydrophobicContact CD1-CG2 4Å; I158-I178 HydrophobicContact CG1-CG2 3.9Å; I158-I178 HydrophobicContact CG2-CG2 4.01Å; T160-I178 CarbonylContact O-C 3.49Å; T160-I178 WeakPolarHBondContact O-CA 3.5Å; I178-F180 HydrophobicContact CG2-CD2 4.17Å; I178-F180 HydrophobicContact CG2-CE2 3.81Å; I178-F180 HydrophobicContact CG2-CZ 4.39Å |
| 179 | R | 86.9 | Confident | 85.9 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 18% | 0.181 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.1 | 174.8 | -175.5 | 171.2 | -156.5 | -152.5 | 1.8 | 109.3 | S126 I129 N133 I158 I159 T160 | S126-R179 PolarHBondContact OG-NH1 3.46Å; S126-R179 PolarHBondContact OG-NH2 3.2Å; I129-R179 PolarHBondContact O-NE 2.75Å; I129-R179 PolarHBondContact O-NH2 3.37Å; N133-R179 WeakPolarHBondContact OD1-CD 3.25Å; N133-R179 WeakPolarHBondContact OD1-CG 3.14Å; N133-R179 PolarHBondContact OD1-NE 3.4Å; I158-R179 CarbonylContact C-O 3.56Å; I158-R179 WeakPolarHBondContact CA-O 3.5Å; I159-R179 HydrophobicContact CB-CG 4.36Å; I159-R179 PolarHBondContact N-O 3.1Å; T160-R179 PolarHBondContact O-N 3.44Å; T160-R179 WeakPolarHBondContact OG1-CB 3.35Å |
| 180 | F | 87.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 161.4 | 174 | -77.1 | -89.4 | 0 | 0 | 0 | 112 | I129 A132 L134 F152 R157 I158 I178 K182 E185 A186 A189 | I129-F180 WeakPolarHBondContact CG2-O 3.4Å; A132-F180 HydrophobicContact CB-CB 4.38Å; A132-F180 WeakPolarHBondContact CB-O 3.35Å; A132-F180 PolarHBondContact O-N 3.01Å; L134-F180 HydrophobicContact CD1-CD2 4.06Å; L134-F180 HydrophobicContact CD1-CE2 3.68Å; L134-F180 HydrophobicContact CG-CD2 4.34Å; L134-F180 HydrophobicContact CG-CE2 4.39Å; F152-F180 HydrophobicContact CB-CZ 3.99Å; F152-F180 HydrophobicContact CD1-CE2 4.08Å; F152-F180 HydrophobicContact CD1-CZ 4.08Å; F152-F180 WeakPolarHBondContact O-CZ 3.5Å; R157-F180 CarbonylContact O-C 3.52Å; R157-F180 WeakPolarHBondContact O-CA 3.13Å; I158-F180 HydrophobicContact CG1-CD1 4.37Å; I158-F180 HydrophobicContact CG1-CE1 4.01Å; I158-F180 HydrophobicContact CG1-CZ 4.24Å; I178-F180 HydrophobicContact CG2-CD2 4.17Å; I178-F180 HydrophobicContact CG2-CE2 3.81Å; I178-F180 HydrophobicContact CG2-CZ 4.39Å; F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 WeakPolarHBondContact CB-O 3.5Å; F180-E185 HydrophobicContact CB-CB 4.29Å; F180-E185 HydrophobicContact CD1-CB 3.86Å; F180-E185 HydrophobicContact CG-CB 4.27Å; F180-A186 HydrophobicContact CB-CB 4.2Å; F180-A186 HydrophobicContact CD2-CB 3.91Å; F180-A186 HydrophobicContact CG-CB 4.28Å; F180-A189 HydrophobicContact CE2-CB 3.87Å; F180-A189 HydrophobicContact CZ-CB 3.79Å |
| 181 | D | 80.3 | Confident | 86.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -76.8 | -16.8 | 175.4 | -156.3 | 46.6 | 0 | 0 | 0 | 112.7 | I129 R157 I159 | I129-D181 WeakPolarHBondContact CG2-O 3.5Å; R157-D181 HydrophobicContact CB-CB 3.83Å; R157-D181 HydrophobicContact CG-CB 4.1Å; R157-D181 WeakPolarHBondContact O-CB 3.36Å; R157-D181 PolarHBondContact O-N 2.89Å; I159-D181 HydrophobicContact CD1-CB 4.32Å; I159-D181 WeakPolarHBondContact CD1-OD1 3.31Å; I159-D181 HydrophobicContact CG1-CB 4.18Å |
| 182 | K | 81.8 | Confident | 87 | Confident | 114 Ų | 114 | 54.9 Ų | 54.9 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -139 | 151.3 | 171.5 | -53.4 | -169.6 | -163.2 | 96.4 | 0 | 111.9 | F180 I184 E185 A186 | F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 WeakPolarHBondContact CB-O 3.5Å; K182-I184 VanDerWaalsContact C-N 3.33Å; K182-E185 HydrophobicContact CB-CB 4.42Å; K182-E185 HydrophobicContact CB-CG 4.07Å; K182-E185 WeakPolarHBondContact CD-OE1 3.47Å; K182-E185 WeakPolarHBondContact CG-OE1 3.26Å; K182-E185 IonicContact NZ-OE1 3.18Å; K182-E185 PolarHBondContact NZ-OE1 3.41Å; K182-A186 PolarHBondContact O-N 3.34Å |
| 183 | R | 83.3 | Confident | 87.1 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 173.5 | -174.1 | -178 | 173.7 | -72.4 | -19.2 | 112.5 | A186 E187 F209 | R183-A186 WeakPolarHBondContact O-CB 3.3Å; R183-A186 PolarHBondContact O-N 3.4Å; R183-E187 IonicContact CZ-OE1 3.2Å; R183-E187 IonicContact CZ-OE2 2.69Å; R183-E187 IonicContact NH1-OE1 2.8Å; R183-E187 PolarHBondContact NH1-OE1 2.94Å; R183-E187 IonicContact NH1-OE2 2.66Å; R183-E187 PolarHBondContact NH1-OE2 3.45Å; R183-E187 IonicContact NH2-OE1 2.68Å; R183-E187 PolarHBondContact NH2-OE1 3.12Å; R183-E187 IonicContact NH2-OE2 2.89Å; R183-E187 PolarHBondContact O-N 2.79Å; R183-F209 HydrophobicContact CG-CE1 4.44Å; R183-F209 HydrophobicContact CG-CZ 4.48Å |
| 184 | I | 85.8 | Confident | 87.3 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 57% | 0.569 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.7 | -48.5 | -179.3 | -58.9 | 172.1 | 0 | 0 | 0 | 110.5 | K182 A186 E187 E188 | K182-I184 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.63Å; I184-E187 WeakPolarHBondContact O-CA 3.39Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.47Å; I184-E188 PolarHBondContact O-N 3.47Å |
| 185 | E | 88.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.5 | -38.3 | 173.4 | -66.7 | 170.1 | -154.7 | 0 | 0 | 111.6 | Y155 G156 R157 F180 K182 A189 | Y155-E185 WeakPolarHBondContact O-CB 3.48Å; G156-E185 VanDerWaalsContact CA-OE2 3.28Å; G156-E185 WeakPolarHBondContact CA-OE2 3.22Å; R157-E185 PolarHBondContact N-OE2 2.83Å; F180-E185 HydrophobicContact CB-CB 4.29Å; F180-E185 HydrophobicContact CD1-CB 3.86Å; F180-E185 HydrophobicContact CG-CB 4.27Å; K182-E185 HydrophobicContact CB-CB 4.42Å; K182-E185 HydrophobicContact CB-CG 4.07Å; K182-E185 WeakPolarHBondContact CD-OE1 3.47Å; K182-E185 WeakPolarHBondContact CG-OE1 3.26Å; K182-E185 IonicContact NZ-OE1 3.18Å; K182-E185 PolarHBondContact NZ-OE1 3.41Å; E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 2.85Å |
| 186 | A | 88 | Confident | 86.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -32.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L134 F180 K182 R183 I184 I190 F209 | L134-A186 HydrophobicContact CD1-CB 4.3Å; L134-A186 HydrophobicContact CD2-CB 3.91Å; L134-A186 HydrophobicContact CG-CB 4.08Å; F180-A186 HydrophobicContact CB-CB 4.2Å; F180-A186 HydrophobicContact CD2-CB 3.91Å; F180-A186 HydrophobicContact CG-CB 4.28Å; K182-A186 PolarHBondContact O-N 3.34Å; R183-A186 WeakPolarHBondContact O-CB 3.3Å; R183-A186 PolarHBondContact O-N 3.4Å; I184-A186 PolarHBondContact O-N 2.63Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.27Å; A186-F209 HydrophobicContact CB-CE1 4.19Å |
| 187 | E | 88.5 | Confident | 86.2 | Confident | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 173.4 | -72.9 | -176.7 | 129.5 | 0 | 0 | 112.1 | R183 I184 I190 K191 F209 | R183-E187 IonicContact CZ-OE1 3.2Å; R183-E187 IonicContact CZ-OE2 2.69Å; R183-E187 IonicContact NH1-OE1 2.8Å; R183-E187 PolarHBondContact NH1-OE1 2.94Å; R183-E187 IonicContact NH1-OE2 2.66Å; R183-E187 PolarHBondContact NH1-OE2 3.45Å; R183-E187 IonicContact NH2-OE1 2.68Å; R183-E187 PolarHBondContact NH2-OE1 3.12Å; R183-E187 IonicContact NH2-OE2 2.89Å; R183-E187 PolarHBondContact O-N 2.79Å; I184-E187 WeakPolarHBondContact O-CA 3.39Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.47Å; E187-I190 PolarHBondContact O-N 3.07Å; E187-K191 WeakPolarHBondContact O-CB 3.34Å; E187-K191 PolarHBondContact O-N 3.41Å; E187-F209 HydrophobicContact CG-CE2 4.21Å; E187-F209 HydrophobicContact CG-CZ 3.55Å |
| 188 | E | 89.9 | Confident | 85.1 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 175.8 | -64.6 | -170.4 | 102.9 | 0 | 0 | 111.2 | Y155 I184 K191 G192 | Y155-E188 HydrophobicContact CD1-CB 4.37Å; I184-E188 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 3.38Å; E188-G192 PolarHBondContact O-N 3.21Å |
| 189 | A | 89.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | L134 F152 Y155 F180 E185 L193 | L134-A189 HydrophobicContact CD1-CB 3.9Å; F152-A189 HydrophobicContact CD1-CB 4.15Å; F152-A189 HydrophobicContact CE1-CB 4.47Å; Y155-A189 HydrophobicContact CD2-CB 4.18Å; Y155-A189 HydrophobicContact CG-CB 3.92Å; F180-A189 HydrophobicContact CE2-CB 3.87Å; F180-A189 HydrophobicContact CZ-CB 3.79Å; E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 2.85Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 3.46Å |
| 190 | I | 89.9 | Confident | 82.6 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -51.9 | 171.5 | -72.4 | 161.7 | 0 | 0 | 0 | 109.9 | L134 A186 E187 G192 N194 V207 F209 | L134-I190 HydrophobicContact CD1-CG1 4.27Å; L134-I190 HydrophobicContact CD2-CD1 3.52Å; L134-I190 HydrophobicContact CD2-CG1 3.64Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.27Å; E187-I190 PolarHBondContact O-N 3.07Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.03Å; I190-N194 HydrophobicContact CG2-CB 4.41Å; I190-N194 WeakPolarHBondContact O-CB 3.41Å; I190-N194 PolarHBondContact O-N 3.34Å; I190-V207 HydrophobicContact CG1-CG1 3.91Å; I190-F209 HydrophobicContact CD1-CD1 4.05Å; I190-F209 HydrophobicContact CD1-CD2 3.73Å; I190-F209 HydrophobicContact CD1-CE1 3.89Å; I190-F209 HydrophobicContact CD1-CE2 3.58Å; I190-F209 HydrophobicContact CD1-CG 3.98Å; I190-F209 HydrophobicContact CD1-CZ 3.68Å |
| 191 | K | 88.1 | Confident | 81.6 | Confident | 188 Ų | 188 | 65.8 Ų | 65.8 | 82% | 0.817 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -32.7 | -174.1 | -170.9 | -179.4 | 177.5 | -172.7 | 0 | 113 | E187 E188 | E187-K191 WeakPolarHBondContact O-CB 3.34Å; E187-K191 PolarHBondContact O-N 3.41Å; E188-K191 PolarHBondContact O-N 3.38Å |
| 192 | G | 85.1 | Confident | 81 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -87.5 | -33.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E188 I190 | E188-G192 PolarHBondContact O-N 3.21Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.03Å |
| 193 | L | 86.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -108.1 | -21.5 | -172.8 | -64.9 | 175.5 | 0 | 0 | 0 | 114.7 | L151 F152 Y155 A189 G195 Q196 I205 V207 | L151-L193 HydrophobicContact CD1-CD2 4.09Å; L151-L193 HydrophobicContact CG-CD1 4.27Å; L151-L193 HydrophobicContact CG-CD2 4.21Å; F152-L193 HydrophobicContact CD1-CD1 3.58Å; F152-L193 HydrophobicContact CD2-CD1 3.74Å; F152-L193 HydrophobicContact CE1-CD1 3.5Å; F152-L193 VanDerWaalsContact CE1-CD1 3.5Å; F152-L193 HydrophobicContact CE2-CD1 3.65Å; F152-L193 HydrophobicContact CG-CD1 3.72Å; F152-L193 HydrophobicContact CZ-CB 4.43Å; F152-L193 HydrophobicContact CZ-CD1 3.53Å; Y155-L193 HydrophobicContact CD2-CD1 3.93Å; Y155-L193 HydrophobicContact CD2-CG 4.26Å; Y155-L193 HydrophobicContact CE2-CD1 3.53Å; Y155-L193 HydrophobicContact CE2-CD2 3.83Å; Y155-L193 HydrophobicContact CE2-CG 3.45Å; Y155-L193 VanDerWaalsContact CE2-CG 3.45Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 3.46Å; L193-G195 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact O-N 3.16Å; L193-Q196 VanDerWaalsContact O-CB 3.31Å; L193-Q196 WeakPolarHBondContact O-CB 3.44Å; L193-Q196 PolarHBondContact O-N 3.19Å; L193-I205 HydrophobicContact CB-CD1 4.17Å; L193-I205 WeakPolarHBondContact O-CG1 3.41Å; L193-V207 HydrophobicContact CB-CG2 3.91Å |
| 194 | N | 87.1 | Confident | 80.5 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 115.6 | -179.8 | -179.7 | 70.4 | 0 | 0 | 0 | 111.6 | I190 T206 V207 | I190-N194 HydrophobicContact CG2-CB 4.41Å; I190-N194 WeakPolarHBondContact O-CB 3.41Å; I190-N194 PolarHBondContact O-N 3.34Å; N194-T206 WeakPolarHBondContact OD1-CA 3.45Å; N194-V207 HydrophobicContact CB-CB 4.02Å; N194-V207 PolarHBondContact OD1-N 3.31Å; N194-V207 PolarHBondContact OD1-O 2.67Å |
| 195 | G | 81.6 | Confident | 80.7 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -5.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | L193 P204 I205 | L193-G195 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact O-N 3.16Å; G195-P204 WeakPolarHBondContact O-CB 3.43Å; G195-I205 PolarHBondContact N-O 2.88Å |
| 196 | Q | 81.1 | Confident | 80.6 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | trans | -72.8 | 154.6 | 175.9 | -156.4 | -176.1 | 79.1 | 0 | 0 | 110.7 | L193 P198 P204 I205 | L193-Q196 VanDerWaalsContact O-CB 3.31Å; L193-Q196 WeakPolarHBondContact O-CB 3.44Å; L193-Q196 PolarHBondContact O-N 3.19Å; Q196-P198 WeakPolarHBondContact O-CD 2.96Å; Q196-P204 CarbonylContact O-C 3.5Å; Q196-P204 WeakPolarHBondContact O-CA 3.21Å; Q196-I205 WeakPolarHBondContact O-CG1 3.41Å; Q196-I205 PolarHBondContact O-N 2.86Å | ||
| 197 | K | 78.4 | Confident | 80.8 | Confident | 130 Ų | 130 | 65.4 Ų | 65.4 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | trans | -114.6 | 95.3 | 178.6 | -167.5 | 169.4 | -169 | 166.3 | 0 | 110.2 | A201 T202 | K197-A201 WeakPolarHBondContact CE-O 3.43Å; K197-A201 HydrophobicContact CG-CB 4.48Å; K197-T202 WeakPolarHBondContact CE-O 3.43Å; K197-T202 PolarHBondContact NZ-O 3.2Å | ||
| 198 | P | 68.9 | Low | 80.8 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.104 | 39% | 0.388 | C | S | . | . | trans | -68.9 | 153.6 | -179.4 | 27.5 | -32.4 | 0 | 0 | 0 | 111.1 | L151 Q196 G200 A201 I205 | L151-P198 HydrophobicContact CD2-CB 4.23Å; Q196-P198 WeakPolarHBondContact O-CD 2.96Å; P198-G200 PolarHBondContact O-N 3.46Å; P198-A201 HydrophobicContact CG-CB 3.96Å; P198-A201 WeakPolarHBondContact O-CB 3.43Å; P198-A201 PolarHBondContact O-N 3.49Å; P198-I205 HydrophobicContact CG-CD1 4.39Å; P198-I205 HydrophobicContact CG-CG1 4.44Å; P198-I205 HydrophobicContact CG-CG2 3.67Å | ||
| 199 | S | 63 | Low | 80.8 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 119.1 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 200 | G | 62.4 | Low | 80.4 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 68% | 0.68 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -1.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | P198 | P198-G200 PolarHBondContact O-N 3.46Š|
| 201 | A | 66.6 | Low | 79.4 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | trans | -82.1 | 133.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P140 K197 P198 E203 | P140-A201 HydrophobicContact CG-CB 3.87Å; K197-A201 WeakPolarHBondContact CE-O 3.43Å; K197-A201 HydrophobicContact CG-CB 4.48Å; P198-A201 HydrophobicContact CG-CB 3.96Å; P198-A201 WeakPolarHBondContact O-CB 3.43Å; P198-A201 PolarHBondContact O-N 3.49Å; A201-E203 VanDerWaalsContact CB-O 3.3Å; A201-E203 WeakPolarHBondContact CB-O 3.5Å | ||
| 202 | T | 66.1 | Low | 77.9 | Confident | 131 Ų | 131 | 64 Ų | 64 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -74.5 | -34.3 | 171.8 | -41.4 | 0 | 0 | 0 | 0 | 111.4 | K197 | K197-T202 WeakPolarHBondContact CE-O 3.43Å; K197-T202 PolarHBondContact NZ-O 3.2Å |
| 203 | E | 72.4 | Confident | 76.3 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -111.2 | 158.7 | -177.9 | -64.8 | -179.1 | 165.2 | 0 | 0 | 110.8 | A201 | A201-E203 VanDerWaalsContact CB-O 3.3Å; A201-E203 WeakPolarHBondContact CB-O 3.5Å |
| 204 | P | 83.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 141.4 | 169.3 | 30.8 | -33.9 | 0 | 0 | 0 | 111 | G195 Q196 T206 | G195-P204 WeakPolarHBondContact O-CB 3.43Å; Q196-P204 CarbonylContact O-C 3.5Å; Q196-P204 WeakPolarHBondContact O-CA 3.21Å; P204-T206 PolarHBondContact O-N 3.49Å |
| 205 | I | 88.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 132 | 175.4 | 59.1 | 169.4 | 0 | 0 | 0 | 110.6 | V136 S137 L139 L151 F152 L193 G195 Q196 P198 V207 | V136-I205 HydrophobicContact CG1-CB 4.39Å; S137-I205 CarbonylContact O-C 3.52Å; S137-I205 VanDerWaalsContact O-CA 3.32Å; S137-I205 WeakPolarHBondContact O-CA 3.37Å; L139-I205 HydrophobicContact CD2-CG2 3.88Å; L151-I205 HydrophobicContact CD2-CD1 4.17Å; F152-I205 HydrophobicContact CE2-CD1 4.4Å; F152-I205 HydrophobicContact CZ-CD1 4.44Å; L193-I205 HydrophobicContact CB-CD1 4.17Å; L193-I205 WeakPolarHBondContact O-CG1 3.41Å; G195-I205 PolarHBondContact N-O 2.88Å; Q196-I205 WeakPolarHBondContact O-CG1 3.41Å; Q196-I205 PolarHBondContact O-N 2.86Å; P198-I205 HydrophobicContact CG-CD1 4.39Å; P198-I205 HydrophobicContact CG-CG1 4.44Å; P198-I205 HydrophobicContact CG-CG2 3.67Å; I205-V207 HydrophobicContact CD1-CG2 4.17Å; I205-V207 HydrophobicContact CG1-CG2 4.4Å |
| 206 | T | 88.5 | Confident | 70.8 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 27% | 0.27 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.1 | 171.2 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | V136 S137 N194 P204 K208 | V136-T206 WeakPolarHBondContact CA-O 3.44Å; S137-T206 PolarHBondContact N-O 2.86Å; S137-T206 PolarHBondContact O-N 2.83Å; N194-T206 WeakPolarHBondContact OD1-CA 3.45Å; P204-T206 PolarHBondContact O-N 3.49Å; T206-K208 HydrophobicContact CG2-CD 3.84Å; T206-K208 VanDerWaalsContact CG2-CE 3.48Å; T206-K208 HydrophobicContact CG2-CG 4.03Å |
| 207 | V | 90.9 | Very high | 69.1 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.9 | -179.2 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | L134 V136 F152 I190 L193 N194 I205 | L134-V207 HydrophobicContact CB-CG1 4.46Å; L134-V207 HydrophobicContact CD1-CG1 3.75Å; V136-V207 HydrophobicContact CG1-CG2 4.32Å; V136-V207 HydrophobicContact CG2-CG1 4.48Å; F152-V207 HydrophobicContact CE1-CG1 3.78Å; F152-V207 HydrophobicContact CE1-CG2 4.15Å; F152-V207 HydrophobicContact CZ-CG1 4.17Å; F152-V207 HydrophobicContact CZ-CG2 3.73Å; I190-V207 HydrophobicContact CG1-CG1 3.91Å; L193-V207 HydrophobicContact CB-CG2 3.91Å; N194-V207 HydrophobicContact CB-CB 4.02Å; N194-V207 PolarHBondContact OD1-N 3.31Å; N194-V207 PolarHBondContact OD1-O 2.67Å; I205-V207 HydrophobicContact CD1-CG2 4.17Å; I205-V207 HydrophobicContact CG1-CG2 4.4Å |
| 208 | K | 88.9 | Confident | 67.5 | Low | 123 Ų | 123 | 77.9 Ų | 77.9 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 162.8 | -176.3 | -68.1 | 177.6 | 178.8 | 167.7 | 0 | 110.1 | L134 Y135 T206 A210 | L134-K208 CarbonylContact C-O 3.53Å; L134-K208 WeakPolarHBondContact CA-O 3.34Å; Y135-K208 PolarHBondContact N-O 3.17Å; Y135-K208 PolarHBondContact O-N 3.5Å; T206-K208 HydrophobicContact CG2-CD 3.84Å; T206-K208 VanDerWaalsContact CG2-CE 3.48Å; T206-K208 HydrophobicContact CG2-CG 4.03Å; K208-A210 PolarHBondContact O-N 3.38Å |
| 209 | F | 88.8 | Confident | 66.1 | Low | 82 Ų | 82 | 86.3 Ų | 86.3 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 131.3 | 169.9 | -71.6 | -66 | 0 | 0 | 0 | 111.3 | D131 L134 R183 A186 E187 I190 N211 | D131-F209 WeakPolarHBondContact O-CD1 3.45Å; D131-F209 WeakPolarHBondContact O-CE1 3.32Å; L134-F209 HydrophobicContact CD2-CD1 3.83Å; L134-F209 HydrophobicContact CD2-CE1 4.08Å; R183-F209 HydrophobicContact CG-CE1 4.44Å; R183-F209 HydrophobicContact CG-CZ 4.48Å; A186-F209 HydrophobicContact CB-CE1 4.19Å; E187-F209 HydrophobicContact CG-CE2 4.21Å; E187-F209 HydrophobicContact CG-CZ 3.55Å; I190-F209 HydrophobicContact CD1-CD1 4.05Å; I190-F209 HydrophobicContact CD1-CD2 3.73Å; I190-F209 HydrophobicContact CD1-CE1 3.89Å; I190-F209 HydrophobicContact CD1-CE2 3.58Å; I190-F209 HydrophobicContact CD1-CG 3.98Å; I190-F209 HydrophobicContact CD1-CZ 3.68Å; F209-N211 PolarHBondContact O-N 3.09Å |
| 210 | A | 81.4 | Confident | 65.2 | Low | 15 Ų | 15 | 84.9 Ų | 84.9 | 12% | 0.124 | 50% | 0.497 | C | S | . | . | trans | -79.1 | 114.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | N133 F177 K208 N212 | N133-A210 HydrophobicContact CB-CB 3.94Å; N133-A210 PolarHBondContact O-N 2.85Å; F177-A210 HydrophobicContact CD1-CB 3.76Å; F177-A210 HydrophobicContact CE1-CB 3.84Å; K208-A210 PolarHBondContact O-N 3.38Å; A210-N212 PolarHBondContact O-N 3.46Å | ||
| 211 | N | 69.6 | Low | 64.5 | Low | 105 Ų | 105 | 89.8 Ų | 89.8 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | trans | -65.3 | 106.2 | 168.8 | -174.3 | -10.7 | 0 | 0 | 0 | 109.6 | F209 | F209-N211 PolarHBondContact O-N 3.09Š| ||
| 212 | N | 57.6 | Low | 63.5 | Low | 58 Ų | 58 | 96.2 Ų | 96.2 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | trans | -65.1 | 123.2 | 177.1 | -175.1 | -18.6 | 0 | 0 | 0 | 109.4 | A210 S214 Q215 | A210-N212 PolarHBondContact O-N 3.46Å; N212-S214 PolarHBondContact O-N 3.14Å; N212-S214 VanDerWaalsContact OD1-CB 3.3Å; N212-S214 WeakPolarHBondContact OD1-CB 3.29Å; N212-S214 PolarHBondContact OD1-N 2.98Å; N212-S214 PolarHBondContact OD1-OG 2.75Å; N212-Q215 HydrophobicContact CB-CB 4.5Å; N212-Q215 HydrophobicContact CB-CG 4.15Å; N212-Q215 WeakPolarHBondContact O-CB 3.38Å; N212-Q215 PolarHBondContact O-N 3.34Å | ||
| 213 | P | 49.8 | Very low | 62.3 | Low | 107 Ų | 107 | 95.5 Ų | 95.5 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -56.3 | -27 | 179.8 | 22.1 | -33.1 | 0 | 0 | 0 | 113 | Q215 K216 | P213-Q215 PolarHBondContact O-N 3.2Å; P213-K216 PolarHBondContact O-N 3.27Å |
| 214 | S | 48 | Very low | 60.8 | Low | 104 Ų | 104 | 98.6 Ų | 98.6 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -68.1 | -5.4 | 174.2 | -53.4 | 0 | 0 | 0 | 0 | 115.3 | N212 | N212-S214 PolarHBondContact O-N 3.14Å; N212-S214 VanDerWaalsContact OD1-CB 3.3Å; N212-S214 WeakPolarHBondContact OD1-CB 3.29Å; N212-S214 PolarHBondContact OD1-N 2.98Å; N212-S214 PolarHBondContact OD1-OG 2.75Å |
| 215 | Q | 50.1 | Low | 58.4 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -112.1 | 2.8 | -179.4 | -69.4 | -82.3 | 58 | 0 | 0 | 113.4 | N212 P213 S217 | N212-Q215 HydrophobicContact CB-CB 4.5Å; N212-Q215 HydrophobicContact CB-CG 4.15Å; N212-Q215 WeakPolarHBondContact O-CB 3.38Å; N212-Q215 PolarHBondContact O-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.2Å; Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 2.95Å |
| 216 | K | 42.7 | Very low | 55.9 | Low | 146 Ų | 146 | 111.6 Ų | 111.6 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 77.5 | -177.2 | -75.6 | -166.3 | 175.7 | -173.9 | 0 | 113.2 | P213 | P213-K216 PolarHBondContact O-N 3.27Š|
| 217 | S | 45.2 | Very low | 53.3 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | -23.6 | 166.9 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | Q215 | Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 2.95Å |
| 218 | S | 45.1 | Very low | 50.5 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -138.6 | -1 | -152.1 | -55.7 | 0 | 0 | 0 | 0 | 118.8 | ||
| 219 | Q | 39.4 | Very low | 48.3 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 91% | 0.907 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -142.2 | 30.7 | -167.6 | -138.7 | 180 | 45.7 | 0 | 0 | 117.2 | ||
| 220 | A | 44.3 | Very low | 45.8 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -103.9 | -0.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 221 | L | 47.9 | Very low | 43.5 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -107.1 | -10.1 | -165.9 | -78.7 | 167.7 | 0 | 0 | 0 | 116.3 | ||
| 222 | L | 45.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -95.4 | -8 | -166 | -153.1 | 65.3 | 0 | 0 | 0 | 115.1 | ||
| 223 | S | 40.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.8 | -167.5 | -53.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 224 | Q | 40 | Very low | 40.7 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 8.2 | -179 | -73.4 | -163.1 | -24 | 0 | 0 | 115.1 | ||
| 225 | L | 33.8 | Very low | 40 | Very low | 130 Ų | 130 | 151 Ų | 151 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -93.9 | 1 | -174.9 | -84.3 | 164.4 | 0 | 0 | 0 | 116 | ||
| 226 | Y | 36.3 | Very low | 39.8 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -131.6 | 74.5 | -177.8 | -71.5 | -75.5 | 0 | 0 | 0 | 113.4 | ||||
| 227 | Q | 33.5 | Very low | 39.5 | Very low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -159.7 | 80.5 | 158.5 | -118.6 | 144.5 | 101.7 | 0 | 0 | 112 | ||||
| 228 | S | 33.1 | Very low | 39 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -84.1 | 151.7 | 165.9 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 229 | P | 42.2 | Very low | 38.4 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -135.8 | 155.4 | 109.6 | 36.2 | -26.5 | 0 | 0 | 0 | 115.1 | |||||
| 230 | N | 35.5 | Very low | 37.9 | Very low | 153 Ų | 153 | 158 Ų | 158 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -58.6 | 147.7 | -174.7 | -62.8 | -54.3 | 0 | 0 | 0 | 116 | ||||
| 231 | R | 32.8 | Very low | 37.3 | Very low | 248 Ų | 248 | 157.5 Ų | 157.5 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | -160.3 | 95.4 | 129 | -111.2 | 173.4 | -167 | -153.3 | 3.6 | 115.7 | |||||
| 232 | R | 34.4 | Very low | 36.6 | Very low | 224 Ų | 224 | 157.4 Ų | 157.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 29.8 | 127.6 | 141.9 | -73 | -170.2 | 166.1 | 169.6 | -4.4 | 123.8 | ||||
| 233 | Y | 36.8 | Very low | 35.9 | Very low | 213 Ų | 213 | 158.8 Ų | 158.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 87.2 | 155 | 130.3 | -84 | -114.2 | 0 | 0 | 0 | 120.4 | ||||
| 234 | P | 48.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 161.2 Ų | 161.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -135.2 | -174.8 | -134.9 | 46 | -30.8 | 0 | 0 | 0 | 117 | ||||
| 235 | G | 31.7 | Very low | 34.9 | Very low | 71 Ų | 71 | 162.3 Ų | 162.3 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -157.9 | 160.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 236 | P | 47.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 162.9 Ų | 162.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -130 | 162.1 | -153.3 | 36.7 | -18.4 | 0 | 0 | 0 | 118.7 | ||||
| 237 | L | 36.1 | Very low | 34.3 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 39 | 123.5 | 150.1 | -83 | 74 | 0 | 0 | 0 | 121.4 | ||||
| 238 | H | 33.4 | Very low | 34.1 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | -152.4 | 176.1 | 112 | -147 | 65.6 | 0 | 0 | 0 | 113.1 | |||||
| 239 | H | 33.8 | Very low | 33.8 | Very low | 148 Ų | 148 | 158 Ų | 158 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -115.2 | 171.2 | -167.3 | -99.8 | 66.3 | 0 | 0 | 0 | 115.2 | ||||
| 240 | Q | 28.3 | Very low | 33.2 | Very low | 189 Ų | 189 | 160.5 Ų | 160.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 92.7 | 164.2 | 147.1 | -99.4 | 172.1 | -1.8 | 0 | 0 | 120.8 | ||||
| 241 | A | 31.6 | Very low | 32.9 | Very low | 90 Ų | 90 | 159.4 Ų | 159.4 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -153.7 | -171.5 | -153.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 242 | Q | 34.4 | Very low | 32.7 | Very low | 165 Ų | 165 | 155 Ų | 155 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | 89.8 | 146.8 | -175.7 | -55.2 | -150.4 | 46.1 | 0 | 0 | 114.3 | ||||
| 243 | R | 29.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | -165.4 | 166.8 | -13.7 | -118.8 | -165.5 | -169.6 | -117.4 | 3.4 | 111.3 | ||||
| 244 | F | 28.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 149 Ų | 149 | 74% | 0.737 | 77% | 0.768 | S | S | * | * | trans | 63.6 | 177.8 | 161 | -62.4 | -61 | 0 | 0 | 0 | 117.7 | ||||
| 245 | R | 30.7 | Very low | 31.1 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | -174.4 | 156.3 | -72.1 | -174.9 | 178.1 | -173.4 | -173.9 | 3.9 | 109 | |||||
| 246 | L | 27 | Very low | 30.8 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 78.3 | 147.8 | 160.4 | -132 | 59.8 | 0 | 0 | 0 | 114.3 | ||||
| 247 | D | 30 | Very low | 29.9 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | cis | -167.7 | -162.7 | -36.5 | -145.1 | -64.5 | 0 | 0 | 0 | 108.9 | ||||
| 248 | N | 29.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | 79.2 | 99.7 | 164.5 | -76.8 | -7.8 | 0 | 0 | 0 | 120.7 | ||||
| 249 | L | 28.6 | Very low | 29 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | 44.5 | 122.6 | 109.3 | -68.7 | 166.8 | 0 | 0 | 0 | 120.9 | |||||
| 250 | L | 29.2 | Very low | 28.8 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | -157.3 | 165.1 | 118.9 | -111.5 | 168.8 | 0 | 0 | 0 | 111.2 | |||||
| 251 | N | 28.6 | Very low | 29.1 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -140.9 | 149.9 | -164.8 | -177.1 | 33.7 | 0 | 0 | 0 | 113.7 | ||||
| 252 | M | 29.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | 58.2 | 120.2 | 163.4 | -89.7 | -62.4 | 112.9 | 0 | 0 | 121.2 | ||||
| 253 | A | 27.4 | Very low | 28.4 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | -165 | 95 | 147.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 254 | Y | 31.3 | Very low | 28.4 | Very low | 232 Ų | 232 | 152 Ų | 152 | 91% | 0.91 | 78% | 0.778 | S | S | * | * | trans | 61.2 | 173.1 | 160 | -44 | -72 | 0 | 0 | 0 | 119.2 | ||||
| 255 | G | 25.9 | Very low | 28.1 | Very low | 69 Ų | 69 | 151.5 Ų | 151.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 165.8 | -87.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 256 | V | 25.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 67 | 108.4 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 257 | K | 28.7 | Very low | 27.8 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 62.6 | 124.1 | 153 | -61.3 | 167.6 | -173.4 | 173.4 | 0 | 120.7 | ||||
| 258 | R | 24.8 | Very low | 27.7 | Very low | 251 Ų | 251 | 146.7 Ų | 146.7 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | -177.4 | 177.1 | 102.7 | -95.6 | -177.9 | -162 | -100.8 | 6.2 | 111.9 | |||||
| 259 | F | 26.7 | Very low | 27.8 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | trans | -86.7 | 136.8 | -174.3 | -93.6 | -109.4 | 0 | 0 | 0 | 113.9 | ||||
| 260 | S | 28.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 60.6 | 169.9 | 145.8 | -53.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 261 | P | 35.7 | Very low | 27.6 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -127.6 | -155.3 | -7 | 28 | -2.9 | 0 | 0 | 0 | 112.8 | ||||
| 262 | I | 25.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | 99.2 | 147.4 | 157.9 | -61.5 | 176.2 | 0 | 0 | 0 | 118.2 | ||||
| 263 | T | 25.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | -84.6 | 160.9 | -156.1 | 53.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 264 | I | 28.4 | Very low | 27.3 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | 120.8 | 128.5 | 126 | -139.5 | 168.4 | 0 | 0 | 0 | 117.7 | |||||
| 265 | D | 23.6 | Very low | 27.5 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 54.7 | 157.4 | 158 | -100.2 | -70.8 | 0 | 0 | 0 | 123.9 | ||||
| 266 | G | 23.9 | Very low | 27.7 | Very low | 61 Ų | 61 | 144.8 Ų | 144.8 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | 105.6 | 39.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 267 | M | 27.2 | Very low | 28 | Very low | 192 Ų | 192 | 141 Ų | 141 | 95% | 0.946 | 79% | 0.788 | S | S | * | * | trans | -158 | 59.7 | 150.1 | -116.4 | 169 | -150.3 | 0 | 0 | 116.4 | S269 | M267-S269 PolarHBondContact O-N 3.48Å; M267-S269 VanDerWaalsContact O-N 3.11Å | ||
| 268 | T | 28.8 | Very low | 28.4 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -74.7 | 87.8 | 164 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 269 | S | 30 | Very low | 29.1 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -175.5 | 86.9 | 157.5 | -85.8 | 0 | 0 | 0 | 0 | 114 | M267 | M267-S269 PolarHBondContact O-N 3.48Å; M267-S269 VanDerWaalsContact O-N 3.11Å | ||
| 270 | L | 28.8 | Very low | 30.1 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | trans | -161.7 | 61.9 | 144.9 | -86 | -159 | 0 | 0 | 0 | 109.7 | ||||
| 271 | V | 25.7 | Very low | 31.8 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 93% | 0.933 | 75% | 0.746 | S | S | * | * | trans | -77.9 | 141.5 | 167.5 | -70.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 272 | G | 28.1 | Very low | 33.7 | Very low | 64 Ų | 64 | 119.4 Ų | 119.4 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | 110.3 | 52.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 273 | M | 25.7 | Very low | 36.5 | Very low | 178 Ų | 178 | 116.2 Ų | 116.2 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -117.8 | 79.2 | 155.9 | -78.6 | -66.5 | 144.9 | 0 | 0 | 110.4 | I275 | M273-I275 PolarHBondContact O-N 2.76Š| ||
| 274 | N | 25.2 | Very low | 39.6 | Very low | 153 Ų | 153 | 111.5 Ų | 111.5 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -77.9 | 98.1 | 178 | -178.3 | 49.7 | 0 | 0 | 0 | 110.3 | P276 | N274-P276 WeakPolarHBondContact O-CD 3.31Š| ||
| 275 | I | 35.5 | Very low | 42.6 | Very low | 136 Ų | 136 | 104.5 Ų | 104.5 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | trans | -82 | 114.4 | -178.3 | -56.9 | 175.4 | 0 | 0 | 0 | 110 | M273 | M273-I275 PolarHBondContact O-N 2.76Š| ||
| 276 | P | 29.6 | Very low | 46 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | trans | -83 | 134.4 | -178.8 | 32.7 | -33.1 | 0 | 0 | 0 | 112 | N274 | N274-P276 WeakPolarHBondContact O-CD 3.31Š| ||
| 277 | G | 32.2 | Very low | 49.3 | Very low | 46 Ų | 46 | 97 Ų | 97 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | trans | 131.2 | 9.6 | 157 | 0 | 0 | 0 | 0 | 0 | 119.6 | T279 | G277-T279 PolarHBondContact O-N 2.97Š| ||
| 278 | H | 38.3 | Very low | 52.4 | Low | 96 Ų | 96 | 93 Ų | 93 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | trans | -74.7 | 110.6 | 173.9 | -90.3 | 16.2 | 0 | 0 | 0 | 112.2 | G282 W283 C284 | H278-G282 PolarHBondContact CD2-O 3.04Å; H278-G282 VanDerWaalsContact CD2-O 3.32Å; H278-W283 AromaticContact CD2-CE3 3.9Å; H278-W283 AromaticContact NE2-CE3 3.66Å; H278-C284 PolarHBondContact NE2-N 3.2Å | ||
| 279 | T | 38.9 | Very low | 55.3 | Low | 128 Ų | 128 | 88.9 Ų | 88.9 | 79% | 0.785 | 52% | 0.519 | S | S | * | . | trans | -97 | 16.3 | 174.4 | 48 | 0 | 0 | 0 | 0 | 113.4 | G277 | G277-T279 PolarHBondContact O-N 2.97Š| ||
| 280 | G | 48.4 | Very low | 58.2 | Low | 46 Ų | 46 | 83.9 Ų | 83.9 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -126.9 | 151.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G282 | G280-G282 PolarHBondContact O-N 3.37Š|
| 281 | T | 62.9 | Low | 60.9 | Low | 130 Ų | 130 | 77 Ų | 77 | 80% | 0.798 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -80.6 | 59.2 | 178.7 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | N310 | T281-N310 PolarHBondContact O-ND2 3.14Š|
| 282 | G | 74.9 | Confident | 63.7 | Low | 9 Ų | 9 | 71.5 Ų | 71.5 | 9% | 0.093 | 42% | 0.418 | C | S | . | . | S | Bend | trans | 167.3 | 162.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H278 G280 M331 | H278-G282 PolarHBondContact CD2-O 3.04Å; H278-G282 VanDerWaalsContact CD2-O 3.32Å; G280-G282 PolarHBondContact O-N 3.37Å; G282-M331 CarbonylContact C-O 3.6Å; G282-M331 VanDerWaalsContact C-O 3.31Å; G282-M331 WeakPolarHBondContact CA-O 3.26Å |
| 283 | W | 85.5 | Confident | 66.3 | Low | 88 Ų | 88 | 73.2 Ų | 73.2 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 112.8 | -172.3 | -62.2 | 88.2 | 0 | 0 | 0 | 110.8 | H278 I285 T330 M331 Y334 A337 F358 | H278-W283 AromaticContact CD2-CE3 3.9Å; H278-W283 AromaticContact NE2-CE3 3.66Å; W283-I285 PolarHBondContact O-N 2.8Å; W283-T330 WeakPolarHBondContact O-CA 3.38Å; W283-M331 PolarHBondContact N-O 2.75Å; W283-M331 PolarHBondContact O-N 2.96Å; W283-Y334 AromaticContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CG 4.45Å; W283-Y334 AromaticContact CE2-CD2 3.92Å; W283-Y334 AromaticContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CE2 4.27Å; W283-Y334 HydrophobicContact CG-CD2 4.46Å; W283-Y334 AromaticContact CH2-CD2 3.87Å; W283-Y334 HydrophobicContact CH2-CD2 3.87Å; W283-Y334 AromaticContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CG 4.29Å; W283-Y334 AromaticContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CE2 4.15Å; W283-A337 HydrophobicContact CB-CB 3.94Å; W283-F358 HydrophobicContact CB-CE1 4.26Å; W283-F358 HydrophobicContact CE3-CE1 4.47Å |
| 284 | C | 89.5 | Confident | 69.1 | Low | 18 Ų | 18 | 65.1 Ų | 65.1 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.9 | -178.2 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | H278 V329 K359 | H278-C284 PolarHBondContact NE2-N 3.2Å; C284-V329 CarbonylContact C-O 3.54Å; C284-V329 WeakPolarHBondContact CA-O 3.35Å; C284-K359 HydrophobicContact CB-CB 4.14Å; C284-K359 HydrophobicContact CB-CD 4.14Å; C284-K359 VanDerWaalsContact O-CB 3.29Å; C284-K359 WeakPolarHBondContact O-CB 3.46Å; C284-K359 PolarHBondContact O-N 2.68Å; C284-K359 WeakPolarHBondContact SG-CD 3.35Å |
| 285 | I | 92.8 | Very high | 72.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.9 | 175.5 | -51.4 | 176.3 | 0 | 0 | 0 | 108 | W283 V287 F303 F328 V329 M331 A337 A340 I341 V356 S357 | W283-I285 PolarHBondContact O-N 2.8Å; I285-V287 HydrophobicContact CG2-CG2 4.42Å; I285-F303 HydrophobicContact CD1-CD1 3.98Å; I285-F303 HydrophobicContact CD1-CE1 3.63Å; I285-F303 HydrophobicContact CG2-CE1 4.07Å; I285-F303 HydrophobicContact CG2-CZ 4.29Å; I285-F328 WeakPolarHBondContact O-CA 3.28Å; I285-V329 HydrophobicContact CB-CB 4.41Å; I285-V329 PolarHBondContact N-O 3.1Å; I285-V329 PolarHBondContact O-N 2.83Å; I285-M331 HydrophobicContact CD1-CG 4.18Å; I285-M331 HydrophobicContact CD1-SD 3.62Å; I285-A337 HydrophobicContact CD1-CB 3.86Å; I285-A337 HydrophobicContact CG1-CB 4.26Å; I285-A340 HydrophobicContact CD1-CB 4.41Å; I285-I341 HydrophobicContact CD1-CD1 4.49Å; I285-I341 HydrophobicContact CD1-CG1 4.31Å; I285-I341 HydrophobicContact CG1-CD1 4.22Å; I285-I341 HydrophobicContact CG1-CG1 4.39Å; I285-I341 HydrophobicContact CG2-CD1 4.29Å; I285-I341 HydrophobicContact CG2-CG1 3.86Å; I285-V356 HydrophobicContact CG2-CG1 3.47Å; I285-V356 VanDerWaalsContact CG2-CG1 3.47Å; I285-S357 CarbonylContact C-O 3.56Å; I285-S357 WeakPolarHBondContact CA-O 3.45Å; I285-S357 WeakPolarHBondContact CG2-O 3.38Å |
| 286 | F | 93.5 | Very high | 74.7 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 26% | 0.263 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.4 | 169.9 | 176.5 | -121.9 | 0 | 0 | 0 | 109.3 | Y288 F326 F328 V356 S357 K359 | F286-Y288 HydrophobicContact CE1-CD2 4.22Å; F286-Y288 HydrophobicContact CE1-CG 4.28Å; F286-Y288 AromaticContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CG 4.22Å; F286-F326 HydrophobicContact CE2-CB 3.93Å; F286-F326 AromaticContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CG 4.11Å; F286-F326 HydrophobicContact CZ-CB 4.27Å; F286-F328 HydrophobicContact CB-CD1 4.48Å; F286-F328 HydrophobicContact CB-CE1 4.44Å; F286-F328 HydrophobicContact CD2-CD1 4.03Å; F286-F328 AromaticContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CZ 4.01Å; F286-F328 HydrophobicContact CE2-CE1 4.22Å; F286-F328 HydrophobicContact CE2-CZ 4.26Å; F286-F328 HydrophobicContact CG-CE1 4.39Å; F286-V356 WeakPolarHBondContact O-CA 3.41Å; F286-S357 PolarHBondContact N-O 3.02Å; F286-S357 PolarHBondContact O-N 3.2Å; F286-S357 VanDerWaalsContact O-N 3.09Å; F286-K359 HydrophobicContact CB-CB 4.39Å |
| 287 | V | 93.3 | Very high | 77.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.6 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | I285 L290 L299 F303 F326 G327 V329 Q355 V356 | I285-V287 HydrophobicContact CG2-CG2 4.42Å; V287-L290 HydrophobicContact CG1-CD1 4.45Å; V287-L290 HydrophobicContact CG1-CD2 3.9Å; V287-L290 HydrophobicContact CG1-CG 4.13Å; V287-L299 HydrophobicContact CB-CD2 4.27Å; V287-L299 HydrophobicContact CG1-CD2 3.94Å; V287-L299 HydrophobicContact CG2-CD2 4.17Å; V287-F303 HydrophobicContact CG2-CE2 3.83Å; V287-F303 HydrophobicContact CG2-CZ 3.64Å; V287-F326 CarbonylContact O-C 3.57Å; V287-F326 WeakPolarHBondContact O-CA 3.48Å; V287-F326 WeakPolarHBondContact O-CB 3.37Å; V287-G327 PolarHBondContact N-O 2.85Å; V287-G327 PolarHBondContact O-N 2.95Å; V287-V329 HydrophobicContact CG2-CG2 4.16Å; V287-Q355 WeakPolarHBondContact CA-O 3.32Å; V287-V356 HydrophobicContact CG1-CG2 4.29Å; V287-V356 HydrophobicContact CG2-CG1 4.41Å |
| 288 | Y | 92.4 | Very high | 80.3 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.3 | -175.5 | -172.7 | -95.3 | 0 | 0 | 0 | 111.3 | F286 G325 F326 Q355 | F286-Y288 HydrophobicContact CE1-CD2 4.22Å; F286-Y288 HydrophobicContact CE1-CG 4.28Å; F286-Y288 AromaticContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CG 4.22Å; Y288-G325 CarbonylContact C-O 3.49Å; Y288-F326 HydrophobicContact CD2-CB 3.74Å; Y288-F326 HydrophobicContact CD2-CG 4.48Å; Y288-F326 HydrophobicContact CE2-CB 4.45Å; Y288-Q355 PolarHBondContact N-O 2.96Å; Y288-Q355 PolarHBondContact O-N 3Å |
| 289 | N | 90.8 | Very high | 82.9 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 63.2 | 33.3 | -172 | -159.3 | 29 | 0 | 0 | 0 | 114.9 | G325 R352 V353 | N289-G325 WeakPolarHBondContact CA-O 3.24Å; N289-G325 PolarHBondContact N-O 3Å; N289-R352 WeakPolarHBondContact O-CB 3.45Å; N289-R352 WeakPolarHBondContact O-CD 3.34Å; N289-V353 WeakPolarHBondContact CB-O 3.2Å; N289-V353 PolarHBondContact ND2-O 2.8Å |
| 290 | L | 90.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -63 | 157.9 | 168.3 | -67.5 | 171.9 | 0 | 0 | 0 | 111.5 | V287 L299 V314 G325 L349 R352 L354 | V287-L290 HydrophobicContact CG1-CD1 4.45Å; V287-L290 HydrophobicContact CG1-CD2 3.9Å; V287-L290 HydrophobicContact CG1-CG 4.13Å; L290-L299 HydrophobicContact CD1-CD1 4.25Å; L290-L299 HydrophobicContact CD2-CD2 4.05Å; L290-V314 HydrophobicContact CD1-CG1 4.28Å; L290-G325 PolarHBondContact N-O 2.97Å; L290-L349 HydrophobicContact CD2-CD2 4.27Å; L290-R352 WeakPolarHBondContact O-CD 3.36Å; L290-R352 PolarHBondContact O-NH1 3.46Å; L290-L354 HydrophobicContact CD2-CD2 3.82Å | ||
| 291 | S | 85.8 | Confident | 87.5 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | trans | -68.3 | 149.9 | 170.2 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | D293 S294 C323 | S291-D293 PolarHBondContact O-N 2.7Å; S291-S294 WeakPolarHBondContact CB-OG 3.46Å; S291-S294 PolarHBondContact N-OG 3.07Å; S291-S294 VanDerWaalsContact N-OG 3.14Å; S291-S294 WeakPolarHBondContact O-CB 3.39Å; S291-S294 PolarHBondContact O-N 2.78Å; S291-S294 VanDerWaalsContact O-N 3.08Å; S291-C323 WeakPolarHBondContact O-CB 3.48Å | ||
| 292 | P | 83.4 | Confident | 88.8 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.9 | 168.1 | 23.3 | -36 | 0 | 0 | 0 | 113.9 | K322 C323 | P292-K322 HydrophobicContact CB-CB 4.28Å; P292-K322 HydrophobicContact CB-CD 4.38Å; P292-C323 PolarHBondContact O-N 3.48Å |
| 293 | D | 83.3 | Confident | 89.7 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 20 | -179.6 | -57 | -63.3 | 0 | 0 | 0 | 112.6 | S291 K322 | S291-D293 PolarHBondContact O-N 2.7Å; D293-K322 VanDerWaalsContact CG-NZ 3.3Å; D293-K322 IonicContact OD1-NZ 2.59Å; D293-K322 PolarHBondContact OD1-NZ 2.86Å; D293-K322 IonicContact OD2-NZ 3.22Å; D293-K322 PolarHBondContact OD2-NZ 2.89Å |
| 294 | S | 85.4 | Confident | 89.9 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -91.9 | 106.2 | 175.1 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | S291 C323 | S291-S294 WeakPolarHBondContact CB-OG 3.46Å; S291-S294 PolarHBondContact N-OG 3.07Å; S291-S294 VanDerWaalsContact N-OG 3.14Å; S291-S294 WeakPolarHBondContact O-CB 3.39Å; S291-S294 PolarHBondContact O-N 2.78Å; S291-S294 VanDerWaalsContact O-N 3.08Å; S294-C323 PolarHBondContact O-SG 2.93Å | ||
| 295 | D | 88.4 | Confident | 90 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -85.1 | 167.1 | 178.8 | -61 | -39.5 | 0 | 0 | 0 | 114 | S297 V298 R316 | D295-S297 PolarHBondContact O-N 3.32Å; D295-S297 VanDerWaalsContact O-N 3.11Å; D295-V298 WeakPolarHBondContact O-CB 3.42Å; D295-V298 PolarHBondContact O-N 3.41Å; D295-R316 IonicContact OD1-CZ 3.66Å; D295-R316 IonicContact OD1-NH1 3.79Å; D295-R316 PolarHBondContact OD1-NH1 3.2Å; D295-R316 IonicContact OD1-NH2 2.7Å; D295-R316 PolarHBondContact OD1-NH2 3.34Å | ||
| 296 | E | 89.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -48.2 | -39.2 | 177 | -76.8 | 70.9 | -165.2 | 0 | 0 | 112.9 | V298 L299 W300 V312 V314 R316 | E296-V298 PolarHBondContact O-N 2.63Å; E296-L299 WeakPolarHBondContact O-CB 3.49Å; E296-L299 PolarHBondContact O-N 2.78Å; E296-W300 PolarHBondContact O-N 2.74Å; E296-V312 HydrophobicContact CB-CG1 3.98Å; E296-V312 HydrophobicContact CG-CG1 3.98Å; E296-V314 HydrophobicContact CG-CG2 4.06Å; E296-V314 WeakPolarHBondContact OE1-CA 3.3Å; E296-V314 VanDerWaalsContact OE1-CB 3.3Å; E296-V314 WeakPolarHBondContact OE1-CB 3.49Å; E296-V314 PolarHBondContact OE1-N 3.24Å; E296-R316 IonicContact OE2-CZ 3.66Å; E296-R316 IonicContact OE2-NE 2.77Å; E296-R316 IonicContact OE2-NH2 3.94Å; E296-R316 PolarHBondContact OE2-NH2 2.92Å |
| 297 | S | 90.4 | Very high | 89.6 | Confident | 89 Ų | 89 | 53 Ų | 53 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.6 | -33.5 | 179.4 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | D295 W300 Q301 | D295-S297 PolarHBondContact O-N 3.32Å; D295-S297 VanDerWaalsContact O-N 3.11Å; S297-W300 PolarHBondContact O-N 2.92Å; S297-Q301 WeakPolarHBondContact O-CB 3.45Å; S297-Q301 PolarHBondContact O-N 3.02Å |
| 298 | V | 89.9 | Confident | 89.3 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.9 | -174 | 0 | 0 | 0 | 0 | 110.6 | D295 E296 Q301 L302 L349 | D295-V298 WeakPolarHBondContact O-CB 3.42Å; D295-V298 PolarHBondContact O-N 3.41Å; E296-V298 PolarHBondContact O-N 2.63Å; V298-Q301 PolarHBondContact O-N 3.41Å; V298-L302 HydrophobicContact CG1-CD1 4.08Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 VanDerWaalsContact O-CG 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 3.49Å; V298-L349 HydrophobicContact CG1-CD1 3.86Å; V298-L349 HydrophobicContact CG1-CD2 3.98Å |
| 299 | L | 91.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 175.6 | -67.5 | 176.5 | 0 | 0 | 0 | 111.8 | V287 L290 E296 Q301 L302 F303 V312 V314 V329 | V287-L299 HydrophobicContact CB-CD2 4.27Å; V287-L299 HydrophobicContact CG1-CD2 3.94Å; V287-L299 HydrophobicContact CG2-CD2 4.17Å; L290-L299 HydrophobicContact CD1-CD1 4.25Å; L290-L299 HydrophobicContact CD2-CD2 4.05Å; E296-L299 WeakPolarHBondContact O-CB 3.49Å; E296-L299 PolarHBondContact O-N 2.78Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.93Å; L299-L302 PolarHBondContact O-N 2.83Å; L299-F303 HydrophobicContact CD2-CD2 4.39Å; L299-F303 HydrophobicContact CD2-CE2 3.99Å; L299-F303 WeakPolarHBondContact O-CB 3.41Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.01Å; L299-V312 HydrophobicContact CB-CG1 3.61Å; L299-V312 HydrophobicContact CD1-CG1 3.7Å; L299-V312 HydrophobicContact CG-CG1 4.28Å; L299-V314 HydrophobicContact CD1-CG2 3.79Å; L299-V329 HydrophobicContact CB-CG2 4.11Å; L299-V329 HydrophobicContact CD1-CG2 4.14Å; L299-V329 HydrophobicContact CD2-CG2 4.37Å; L299-V329 HydrophobicContact CG-CG2 4.46Å |
| 300 | W | 92.4 | Very high | 89 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 43% | 0.432 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 171 | -75.6 | 105.5 | 0 | 0 | 0 | 111.5 | E296 S297 G304 V309 V312 | E296-W300 PolarHBondContact O-N 2.74Å; S297-W300 PolarHBondContact O-N 2.92Å; W300-G304 PolarHBondContact O-N 2.88Å; W300-V309 HydrophobicContact CD2-CG1 4.38Å; W300-V309 HydrophobicContact CE3-CB 3.82Å; W300-V309 HydrophobicContact CE3-CG1 3.76Å; W300-V309 HydrophobicContact CH2-CB 4.3Å; W300-V309 HydrophobicContact CH2-CG1 3.86Å; W300-V309 WeakPolarHBondContact CH2-O 3.05Å; W300-V309 HydrophobicContact CZ2-CG1 4.45Å; W300-V309 HydrophobicContact CZ3-CB 3.52Å; W300-V309 HydrophobicContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-O 3.25Å; W300-V309 WeakPolarHBondContact CZ3-O 3.46Å; W300-V312 HydrophobicContact CD2-CB 4.5Å; W300-V312 HydrophobicContact CD2-CG2 3.68Å; W300-V312 VanDerWaalsContact CE2-CG2 3.43Å; W300-V312 HydrophobicContact CE3-CG2 4.32Å; W300-V312 HydrophobicContact CG-CG2 3.94Å; W300-V312 HydrophobicContact CH2-CG2 4.49Å; W300-V312 HydrophobicContact CZ2-CB 4.23Å; W300-V312 HydrophobicContact CZ2-CG2 3.87Å |
| 301 | Q | 91.1 | Very high | 88.8 | Confident | 150 Ų | 150 | 56.8 Ų | 56.8 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.7 | -35.5 | 179.6 | -169.9 | 62 | 37.5 | 0 | 0 | 113.3 | S297 V298 L299 P305 | S297-Q301 WeakPolarHBondContact O-CB 3.45Å; S297-Q301 PolarHBondContact O-N 3.02Å; V298-Q301 PolarHBondContact O-N 3.41Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.93Å; Q301-P305 WeakPolarHBondContact O-CD 3.23Å |
| 302 | L | 91.3 | Very high | 89.1 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.8 | -38.6 | 178.8 | -73.9 | 171.1 | 0 | 0 | 0 | 113.1 | V298 L299 F306 L344 Y347 L354 | V298-L302 HydrophobicContact CG1-CD1 4.08Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 VanDerWaalsContact O-CG 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 3.49Å; L299-L302 PolarHBondContact O-N 2.83Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 VanDerWaalsContact O-CE2 3.31Å; L302-F306 WeakPolarHBondContact O-CE2 3.29Å; L302-L344 HydrophobicContact CB-CD1 4.31Å; L302-L344 HydrophobicContact CB-CD2 4.41Å; L302-L344 HydrophobicContact CD2-CD2 4.24Å; L302-Y347 HydrophobicContact CD2-CD1 4.23Å; L302-Y347 HydrophobicContact CD2-CE1 3.7Å; L302-L354 HydrophobicContact CD1-CD1 3.91Å |
| 303 | F | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -92.9 | -25.5 | -174.6 | -75.9 | -98 | 0 | 0 | 0 | 113.9 | I285 V287 L299 P305 F306 V309 V329 M331 A340 L344 V356 | I285-F303 HydrophobicContact CD1-CD1 3.98Å; I285-F303 HydrophobicContact CD1-CE1 3.63Å; I285-F303 HydrophobicContact CG2-CE1 4.07Å; I285-F303 HydrophobicContact CG2-CZ 4.29Å; V287-F303 HydrophobicContact CG2-CE2 3.83Å; V287-F303 HydrophobicContact CG2-CZ 3.64Å; L299-F303 HydrophobicContact CD2-CD2 4.39Å; L299-F303 HydrophobicContact CD2-CE2 3.99Å; L299-F303 WeakPolarHBondContact O-CB 3.41Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.01Å; F303-P305 VanDerWaalsContact C-CD 3.46Å; F303-F306 PolarHBondContact O-N 3.25Å; F303-V309 HydrophobicContact CB-CG2 3.69Å; F303-V329 HydrophobicContact CB-CG1 4.12Å; F303-V329 HydrophobicContact CD1-CB 4.44Å; F303-V329 HydrophobicContact CD1-CG1 4.01Å; F303-V329 HydrophobicContact CD2-CG1 4.41Å; F303-V329 HydrophobicContact CD2-CG2 3.9Å; F303-V329 HydrophobicContact CE2-CG2 3.94Å; F303-V329 HydrophobicContact CG-CB 4.46Å; F303-V329 HydrophobicContact CG-CG1 3.91Å; F303-V329 HydrophobicContact CG-CG2 4.24Å; F303-V329 HydrophobicContact CZ-CG2 4.3Å; F303-M331 HydrophobicContact CD1-SD 3.92Å; F303-A340 HydrophobicContact CD1-CB 3.77Å; F303-A340 HydrophobicContact CE1-CB 3.91Å; F303-L344 HydrophobicContact CD1-CD1 3.87Å; F303-L344 HydrophobicContact CD2-CD1 3.8Å; F303-L344 HydrophobicContact CE1-CD1 3.68Å; F303-L344 HydrophobicContact CE2-CD1 3.62Å; F303-L344 HydrophobicContact CG-CD1 3.93Å; F303-L344 HydrophobicContact CZ-CD1 3.56Å; F303-V356 HydrophobicContact CE1-CG1 4.17Å; F303-V356 HydrophobicContact CZ-CG1 3.79Å |
| 304 | G | 89.9 | Confident | 89.7 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -53.2 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | W300 F306 G307 | W300-G304 PolarHBondContact O-N 2.88Å; G304-F306 PolarHBondContact O-N 3.22Å; G304-G307 PolarHBondContact O-N 2.86Å |
| 305 | P | 92.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 66% | 0.662 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -64.3 | -16.8 | 175.9 | -25.5 | 36 | 0 | 0 | 0 | 115.3 | Q301 F303 | Q301-P305 WeakPolarHBondContact O-CD 3.23Å; F303-P305 VanDerWaalsContact C-CD 3.46Å |
| 306 | F | 90.3 | Very high | 89.8 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -98.1 | -16.3 | -176.1 | -63.3 | -79.7 | 0 | 0 | 0 | 113.9 | L302 F303 G304 M331 E336 M339 A340 S343 L344 | L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 VanDerWaalsContact O-CE2 3.31Å; L302-F306 WeakPolarHBondContact O-CE2 3.29Å; F303-F306 PolarHBondContact O-N 3.25Å; G304-F306 PolarHBondContact O-N 3.22Å; F306-M331 HydrophobicContact CB-CE 4.03Å; F306-E336 VanDerWaalsContact O-CB 3.28Å; F306-E336 WeakPolarHBondContact O-CB 3.12Å; F306-E336 WeakPolarHBondContact O-CG 3.29Å; F306-M339 HydrophobicContact CD1-CB 4.46Å; F306-A340 HydrophobicContact CB-CB 3.72Å; F306-A340 HydrophobicContact CD1-CB 4.38Å; F306-A340 HydrophobicContact CD2-CB 4.07Å; F306-A340 HydrophobicContact CG-CB 3.79Å; F306-S343 VanDerWaalsContact CE1-CB 3.41Å; F306-S343 WeakPolarHBondContact CE1-OG 3.18Å; F306-S343 VanDerWaalsContact CZ-CB 3.43Å; F306-L344 HydrophobicContact CD2-CD1 4.14Å; F306-L344 HydrophobicContact CE2-CD1 3.86Å; F306-L344 HydrophobicContact CE2-CD2 4Å; F306-L344 HydrophobicContact CE2-CG 3.85Å; F306-L344 HydrophobicContact CZ-CD2 4.45Å; F306-L344 HydrophobicContact CZ-CG 4.31Å |
| 307 | G | 87 | Confident | 89.4 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 160.1 | -179 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G304 V309 E336 | G304-G307 PolarHBondContact O-N 2.86Å; G307-V309 PolarHBondContact O-N 2.59Å; G307-E336 WeakPolarHBondContact CA-OE2 3.34Å |
| 308 | A | 87.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -78.1 | 108.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M331 T332 E336 | A308-M331 CarbonylContact O-C 3.5Å; A308-M331 WeakPolarHBondContact O-CA 3.35Å; A308-T332 HydrophobicContact CB-CG2 4.16Å; A308-T332 PolarHBondContact O-N 2.78Å; A308-T332 PolarHBondContact O-OG1 3.07Å; A308-E336 PolarHBondContact N-OE2 3.14Å; A308-E336 VanDerWaalsContact N-OE2 3.1Å | ||
| 309 | V | 89.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.1 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | W300 F303 G307 V312 V329 M331 | W300-V309 HydrophobicContact CD2-CG1 4.38Å; W300-V309 HydrophobicContact CE3-CB 3.82Å; W300-V309 HydrophobicContact CE3-CG1 3.76Å; W300-V309 HydrophobicContact CH2-CB 4.3Å; W300-V309 HydrophobicContact CH2-CG1 3.86Å; W300-V309 WeakPolarHBondContact CH2-O 3.05Å; W300-V309 HydrophobicContact CZ2-CG1 4.45Å; W300-V309 HydrophobicContact CZ3-CB 3.52Å; W300-V309 HydrophobicContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-O 3.25Å; W300-V309 WeakPolarHBondContact CZ3-O 3.46Å; F303-V309 HydrophobicContact CB-CG2 3.69Å; G307-V309 PolarHBondContact O-N 2.59Å; V309-V312 HydrophobicContact CG1-CG2 3.61Å; V309-V329 HydrophobicContact CG1-CG1 3.77Å; V309-V329 HydrophobicContact CG2-CG1 4.27Å; V309-M331 HydrophobicContact CG2-CG 4.15Å |
| 310 | N | 86.6 | Confident | 87.8 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -36.2 | 179.5 | -177.5 | 10.1 | 0 | 0 | 0 | 111.5 | T281 T330 T332 | T281-N310 PolarHBondContact O-ND2 3.14Å; N310-T330 WeakPolarHBondContact CA-O 3.43Å; N310-T330 WeakPolarHBondContact CB-O 3.39Å; N310-T330 PolarHBondContact N-O 2.85Å; N310-T332 HydrophobicContact CB-CG2 4.4Å |
| 311 | N | 86.6 | Confident | 87 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 149.2 | 178.4 | -163.8 | -109.3 | 0 | 0 | 0 | 112.9 | V329 T330 | N311-V329 CarbonylContact O-C 3.52Å; N311-V329 WeakPolarHBondContact O-CA 3.21Å; N311-T330 PolarHBondContact N-O 3.31Å; N311-T330 PolarHBondContact O-N 3.44Å |
| 312 | V | 90.4 | Very high | 86.5 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 9% | 0.085 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.2 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | E296 L299 W300 V309 F328 V329 | E296-V312 HydrophobicContact CB-CG1 3.98Å; E296-V312 HydrophobicContact CG-CG1 3.98Å; L299-V312 HydrophobicContact CB-CG1 3.61Å; L299-V312 HydrophobicContact CD1-CG1 3.7Å; L299-V312 HydrophobicContact CG-CG1 4.28Å; W300-V312 HydrophobicContact CD2-CB 4.5Å; W300-V312 HydrophobicContact CD2-CG2 3.68Å; W300-V312 VanDerWaalsContact CE2-CG2 3.43Å; W300-V312 HydrophobicContact CE3-CG2 4.32Å; W300-V312 HydrophobicContact CG-CG2 3.94Å; W300-V312 HydrophobicContact CH2-CG2 4.49Å; W300-V312 HydrophobicContact CZ2-CB 4.23Å; W300-V312 HydrophobicContact CZ2-CG2 3.87Å; V309-V312 HydrophobicContact CG1-CG2 3.61Å; V312-F328 WeakPolarHBondContact CA-O 3.32Å; V312-V329 HydrophobicContact CG2-CG1 4.36Å; V312-V329 HydrophobicContact CG2-CG2 4.4Å |
| 313 | K | 89.3 | Confident | 86.2 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 114.1 | 173.5 | -179.7 | 173.3 | -177.4 | 170.7 | 0 | 110.7 | I315 G327 F328 | K313-I315 HydrophobicContact CD-CD1 4.2Å; K313-I315 HydrophobicContact CG-CD1 4.13Å; K313-G327 CarbonylContact O-C 3.56Å; K313-G327 WeakPolarHBondContact O-CA 3.34Å; K313-F328 PolarHBondContact N-O 3.08Å; K313-F328 PolarHBondContact O-N 2.95Å |
| 314 | V | 90.5 | Very high | 85.8 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 143.6 | 168 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | L290 E296 L299 C323 | L290-V314 HydrophobicContact CD1-CG1 4.28Å; E296-V314 HydrophobicContact CG-CG2 4.06Å; E296-V314 WeakPolarHBondContact OE1-CA 3.3Å; E296-V314 VanDerWaalsContact OE1-CB 3.3Å; E296-V314 WeakPolarHBondContact OE1-CB 3.49Å; E296-V314 PolarHBondContact OE1-N 3.24Å; L299-V314 HydrophobicContact CD1-CG2 3.79Å; V314-C323 HydrophobicContact CG1-CB 3.74Å; V314-C323 VanDerWaalsContact CG1-SG 3.53Å |
| 315 | I | 87.6 | Confident | 85.6 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.6 | 174.2 | -56.9 | -54 | 0 | 0 | 0 | 108.3 | K313 K324 F326 F328 | K313-I315 HydrophobicContact CD-CD1 4.2Å; K313-I315 HydrophobicContact CG-CD1 4.13Å; I315-K324 HydrophobicContact CG2-CD 4.12Å; I315-K324 HydrophobicContact CG2-CG 4.26Å; I315-K324 PolarHBondContact O-N 3.39Å; I315-F326 HydrophobicContact CB-CD2 4.04Å; I315-F326 HydrophobicContact CB-CE1 4.44Å; I315-F326 HydrophobicContact CB-CE2 3.72Å; I315-F326 HydrophobicContact CB-CZ 3.93Å; I315-F326 HydrophobicContact CG1-CD2 3.82Å; I315-F326 HydrophobicContact CG1-CE2 3.47Å; I315-F326 VanDerWaalsContact CG1-CE2 3.47Å; I315-F326 HydrophobicContact CG1-CZ 4.13Å; I315-F326 HydrophobicContact CG2-CE1 4.34Å; I315-F326 HydrophobicContact CG2-CE2 4.02Å; I315-F326 HydrophobicContact CG2-CZ 3.77Å; I315-F326 PolarHBondContact N-O 2.82Å; I315-F328 HydrophobicContact CD1-CD2 4.37Å; I315-F328 HydrophobicContact CD1-CE2 4.21Å; I315-F328 HydrophobicContact CG1-CD2 4.27Å; I315-F328 HydrophobicContact CG1-CE2 3.9Å |
| 316 | R | 88.8 | Confident | 85.6 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 154.9 | -178.1 | -63.4 | 168.4 | -171.3 | -91.5 | 3.8 | 110.5 | D295 E296 N321 K322 C323 K324 | D295-R316 IonicContact OD1-CZ 3.66Å; D295-R316 IonicContact OD1-NH1 3.79Å; D295-R316 PolarHBondContact OD1-NH1 3.2Å; D295-R316 IonicContact OD1-NH2 2.7Å; D295-R316 PolarHBondContact OD1-NH2 3.34Å; E296-R316 IonicContact OE2-CZ 3.66Å; E296-R316 IonicContact OE2-NE 2.77Å; E296-R316 IonicContact OE2-NH2 3.94Å; E296-R316 PolarHBondContact OE2-NH2 2.92Å; R316-N321 WeakPolarHBondContact CD-O 3.35Å; R316-N321 WeakPolarHBondContact CG-O 3.22Å; R316-N321 PolarHBondContact NH1-O 2.87Å; R316-K322 CarbonylContact C-O 3.54Å; R316-K322 WeakPolarHBondContact CA-O 3.32Å; R316-C323 PolarHBondContact NH1-SG 2.78Å; R316-C323 VanDerWaalsContact NH1-SG 3.44Å; R316-K324 VanDerWaalsContact C-CG 3.43Å |
| 317 | D | 81.9 | Confident | 85.6 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | trans | -78.6 | 136.4 | 170.2 | -162.8 | -86.2 | 0 | 0 | 0 | 110.6 | N319 N321 K322 K324 | D317-N319 PolarHBondContact O-N 3.47Å; D317-N319 WeakPolarHBondContact OD1-CB 3.12Å; D317-N319 PolarHBondContact OD1-N 3.38Å; D317-N319 PolarHBondContact OD1-ND2 3.43Å; D317-N321 VanDerWaalsContact O-CA 3.24Å; D317-N321 WeakPolarHBondContact O-CA 3.37Å; D317-N321 PolarHBondContact O-N 3.3Å; D317-K322 PolarHBondContact N-O 2.9Å; D317-K324 HydrophobicContact CB-CD 4.17Å; D317-K324 HydrophobicContact CB-CG 4.18Å; D317-K324 VanDerWaalsContact OD2-CE 3.23Å; D317-K324 WeakPolarHBondContact OD2-CE 3.45Å; D317-K324 IonicContact OD2-NZ 2.64Å; D317-K324 PolarHBondContact OD2-NZ 2.91Å | ||
| 318 | F | 77.8 | Confident | 85.9 | Confident | 176 Ų | 176 | 63.8 Ų | 63.8 | 77% | 0.772 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.6 | -177 | -176.4 | -99.4 | 0 | 0 | 0 | 112.8 | ||
| 319 | N | 78.1 | Confident | 86.2 | Confident | 133 Ų | 133 | 61.1 Ų | 61.1 | 71% | 0.711 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -29 | -172.5 | -51.4 | -81.6 | 0 | 0 | 0 | 112.7 | D317 | D317-N319 PolarHBondContact O-N 3.47Å; D317-N319 WeakPolarHBondContact OD1-CB 3.12Å; D317-N319 PolarHBondContact OD1-N 3.38Å; D317-N319 PolarHBondContact OD1-ND2 3.43Å |
| 320 | T | 80.9 | Confident | 86.3 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -9.7 | -174 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | K322 | T320-K322 PolarHBondContact O-N 2.88Š|
| 321 | N | 76.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | trans | 55.5 | -0.2 | -171.5 | -73.4 | -85.9 | 0 | 0 | 0 | 116.2 | R316 D317 | R316-N321 WeakPolarHBondContact CD-O 3.35Å; R316-N321 WeakPolarHBondContact CG-O 3.22Å; R316-N321 PolarHBondContact NH1-O 2.87Å; D317-N321 VanDerWaalsContact O-CA 3.24Å; D317-N321 WeakPolarHBondContact O-CA 3.37Å; D317-N321 PolarHBondContact O-N 3.3Å | ||
| 322 | K | 80.9 | Confident | 86.4 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | trans | -72.2 | 149.7 | 172.6 | -77.1 | 178.4 | 174.5 | -77.2 | 0 | 111.3 | P292 D293 R316 D317 T320 | P292-K322 HydrophobicContact CB-CB 4.28Å; P292-K322 HydrophobicContact CB-CD 4.38Å; D293-K322 VanDerWaalsContact CG-NZ 3.3Å; D293-K322 IonicContact OD1-NZ 2.59Å; D293-K322 PolarHBondContact OD1-NZ 2.86Å; D293-K322 IonicContact OD2-NZ 3.22Å; D293-K322 PolarHBondContact OD2-NZ 2.89Å; R316-K322 CarbonylContact C-O 3.54Å; R316-K322 WeakPolarHBondContact CA-O 3.32Å; D317-K322 PolarHBondContact N-O 2.9Å; T320-K322 PolarHBondContact O-N 2.88Å | ||
| 323 | C | 84 | Confident | 86.3 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.9 | -174.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | S291 P292 S294 V314 R316 G325 | S291-C323 WeakPolarHBondContact O-CB 3.48Å; P292-C323 PolarHBondContact O-N 3.48Å; S294-C323 PolarHBondContact O-SG 2.93Å; V314-C323 HydrophobicContact CG1-CB 3.74Å; V314-C323 VanDerWaalsContact CG1-SG 3.53Å; R316-C323 PolarHBondContact NH1-SG 2.78Å; R316-C323 VanDerWaalsContact NH1-SG 3.44Å; C323-G325 PolarHBondContact O-N 2.87Å |
| 324 | K | 84.1 | Confident | 86.3 | Confident | 108 Ų | 108 | 59.5 Ų | 59.5 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 20.8 | -178.9 | -48 | -161 | 75.6 | 155.4 | 0 | 113 | I315 R316 D317 F326 | I315-K324 HydrophobicContact CG2-CD 4.12Å; I315-K324 HydrophobicContact CG2-CG 4.26Å; I315-K324 PolarHBondContact O-N 3.39Å; R316-K324 VanDerWaalsContact C-CG 3.43Å; D317-K324 HydrophobicContact CB-CD 4.17Å; D317-K324 HydrophobicContact CB-CG 4.18Å; D317-K324 VanDerWaalsContact OD2-CE 3.23Å; D317-K324 WeakPolarHBondContact OD2-CE 3.45Å; D317-K324 IonicContact OD2-NZ 2.64Å; D317-K324 PolarHBondContact OD2-NZ 2.91Å; K324-F326 HydrophobicContact CB-CD1 4.21Å; K324-F326 HydrophobicContact CB-CE1 3.95Å; K324-F326 WeakPolarHBondContact O-CD1 3.48Å |
| 325 | G | 86.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.3 | 6.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y288 N289 L290 C323 | Y288-G325 CarbonylContact C-O 3.49Å; N289-G325 WeakPolarHBondContact CA-O 3.24Å; N289-G325 PolarHBondContact N-O 3Å; L290-G325 PolarHBondContact N-O 2.97Å; C323-G325 PolarHBondContact O-N 2.87Å |
| 326 | F | 91.4 | Very high | 86.3 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.6 | -179.7 | 70.6 | -88.2 | 0 | 0 | 0 | 115.2 | F286 V287 Y288 I315 K324 F328 | F286-F326 HydrophobicContact CE2-CB 3.93Å; F286-F326 AromaticContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CG 4.11Å; F286-F326 HydrophobicContact CZ-CB 4.27Å; V287-F326 CarbonylContact O-C 3.57Å; V287-F326 WeakPolarHBondContact O-CA 3.48Å; V287-F326 WeakPolarHBondContact O-CB 3.37Å; Y288-F326 HydrophobicContact CD2-CB 3.74Å; Y288-F326 HydrophobicContact CD2-CG 4.48Å; Y288-F326 HydrophobicContact CE2-CB 4.45Å; I315-F326 HydrophobicContact CB-CD2 4.04Å; I315-F326 HydrophobicContact CB-CE1 4.44Å; I315-F326 HydrophobicContact CB-CE2 3.72Å; I315-F326 HydrophobicContact CB-CZ 3.93Å; I315-F326 HydrophobicContact CG1-CD2 3.82Å; I315-F326 HydrophobicContact CG1-CE2 3.47Å; I315-F326 VanDerWaalsContact CG1-CE2 3.47Å; I315-F326 HydrophobicContact CG1-CZ 4.13Å; I315-F326 HydrophobicContact CG2-CE1 4.34Å; I315-F326 HydrophobicContact CG2-CE2 4.02Å; I315-F326 HydrophobicContact CG2-CZ 3.77Å; I315-F326 PolarHBondContact N-O 2.82Å; K324-F326 HydrophobicContact CB-CD1 4.21Å; K324-F326 HydrophobicContact CB-CE1 3.95Å; K324-F326 WeakPolarHBondContact O-CD1 3.48Å; F326-F328 HydrophobicContact CD2-CE2 4.23Å; F326-F328 HydrophobicContact CD2-CZ 4.4Å; F326-F328 HydrophobicContact CE2-CE2 4.15Å; F326-F328 HydrophobicContact CE2-CZ 4.35Å |
| 327 | G | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V287 K313 | V287-G327 PolarHBondContact N-O 2.85Å; V287-G327 PolarHBondContact O-N 2.95Å; K313-G327 CarbonylContact O-C 3.56Å; K313-G327 WeakPolarHBondContact O-CA 3.34Å |
| 328 | F | 93.8 | Very high | 86.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 20% | 0.197 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.7 | 179.2 | -58.4 | -83.7 | 0 | 0 | 0 | 109.9 | I285 F286 V312 K313 I315 F326 K359 | I285-F328 WeakPolarHBondContact O-CA 3.28Å; F286-F328 HydrophobicContact CB-CD1 4.48Å; F286-F328 HydrophobicContact CB-CE1 4.44Å; F286-F328 HydrophobicContact CD2-CD1 4.03Å; F286-F328 AromaticContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CZ 4.01Å; F286-F328 HydrophobicContact CE2-CE1 4.22Å; F286-F328 HydrophobicContact CE2-CZ 4.26Å; F286-F328 HydrophobicContact CG-CE1 4.39Å; V312-F328 WeakPolarHBondContact CA-O 3.32Å; K313-F328 PolarHBondContact N-O 3.08Å; K313-F328 PolarHBondContact O-N 2.95Å; I315-F328 HydrophobicContact CD1-CD2 4.37Å; I315-F328 HydrophobicContact CD1-CE2 4.21Å; I315-F328 HydrophobicContact CG1-CD2 4.27Å; I315-F328 HydrophobicContact CG1-CE2 3.9Å; F326-F328 HydrophobicContact CD2-CE2 4.23Å; F326-F328 HydrophobicContact CD2-CZ 4.4Å; F326-F328 HydrophobicContact CE2-CE2 4.15Å; F326-F328 HydrophobicContact CE2-CZ 4.35Å; F328-K359 HydrophobicContact CD1-CD 3.91Å; F328-K359 HydrophobicContact CD1-CG 4.39Å; F328-K359 HydrophobicContact CE1-CD 3.87Å; F328-K359 HydrophobicContact CE1-CG 4.13Å |
| 329 | V | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.8 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | C284 I285 V287 L299 F303 V309 N311 V312 M331 | C284-V329 CarbonylContact C-O 3.54Å; C284-V329 WeakPolarHBondContact CA-O 3.35Å; I285-V329 HydrophobicContact CB-CB 4.41Å; I285-V329 PolarHBondContact N-O 3.1Å; I285-V329 PolarHBondContact O-N 2.83Å; V287-V329 HydrophobicContact CG2-CG2 4.16Å; L299-V329 HydrophobicContact CB-CG2 4.11Å; L299-V329 HydrophobicContact CD1-CG2 4.14Å; L299-V329 HydrophobicContact CD2-CG2 4.37Å; L299-V329 HydrophobicContact CG-CG2 4.46Å; F303-V329 HydrophobicContact CB-CG1 4.12Å; F303-V329 HydrophobicContact CD1-CB 4.44Å; F303-V329 HydrophobicContact CD1-CG1 4.01Å; F303-V329 HydrophobicContact CD2-CG1 4.41Å; F303-V329 HydrophobicContact CD2-CG2 3.9Å; F303-V329 HydrophobicContact CE2-CG2 3.94Å; F303-V329 HydrophobicContact CG-CB 4.46Å; F303-V329 HydrophobicContact CG-CG1 3.91Å; F303-V329 HydrophobicContact CG-CG2 4.24Å; F303-V329 HydrophobicContact CZ-CG2 4.3Å; V309-V329 HydrophobicContact CG1-CG1 3.77Å; V309-V329 HydrophobicContact CG2-CG1 4.27Å; N311-V329 CarbonylContact O-C 3.52Å; N311-V329 WeakPolarHBondContact O-CA 3.21Å; V312-V329 HydrophobicContact CG2-CG1 4.36Å; V312-V329 HydrophobicContact CG2-CG2 4.4Å; V329-M331 HydrophobicContact CG1-CG 4.26Å |
| 330 | T | 90.9 | Very high | 88.2 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.1 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 108.2 | W283 N310 N311 | W283-T330 WeakPolarHBondContact O-CA 3.38Å; N310-T330 WeakPolarHBondContact CA-O 3.43Å; N310-T330 WeakPolarHBondContact CB-O 3.39Å; N310-T330 PolarHBondContact N-O 2.85Å; N311-T330 PolarHBondContact N-O 3.31Å; N311-T330 PolarHBondContact O-N 3.44Å |
| 331 | M | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 156.9 | 176.8 | -66.2 | 178.5 | 72.3 | 0 | 0 | 110.7 | G282 W283 I285 F303 F306 A308 V309 V329 E336 A337 A340 | G282-M331 CarbonylContact C-O 3.6Å; G282-M331 VanDerWaalsContact C-O 3.31Å; G282-M331 WeakPolarHBondContact CA-O 3.26Å; W283-M331 PolarHBondContact N-O 2.75Å; W283-M331 PolarHBondContact O-N 2.96Å; I285-M331 HydrophobicContact CD1-CG 4.18Å; I285-M331 HydrophobicContact CD1-SD 3.62Å; F303-M331 HydrophobicContact CD1-SD 3.92Å; F306-M331 HydrophobicContact CB-CE 4.03Å; A308-M331 CarbonylContact O-C 3.5Å; A308-M331 WeakPolarHBondContact O-CA 3.35Å; V309-M331 HydrophobicContact CG2-CG 4.15Å; V329-M331 HydrophobicContact CG1-CG 4.26Å; M331-E336 HydrophobicContact CE-CB 3.74Å; M331-A337 HydrophobicContact CB-CB 4.26Å; M331-A337 HydrophobicContact SD-CB 4.2Å; M331-A340 HydrophobicContact CE-CB 4.37Å; M331-A340 HydrophobicContact SD-CB 3.86Å |
| 332 | T | 87.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -70.1 | -44.5 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | A308 N310 | A308-T332 HydrophobicContact CB-CG2 4.16Å; A308-T332 PolarHBondContact O-N 2.78Å; A308-T332 PolarHBondContact O-OG1 3.07Å; N310-T332 HydrophobicContact CB-CG2 4.4Å |
| 333 | N | 88.4 | Confident | 89.9 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | trans | -108.9 | 152.9 | -168.4 | -59 | -37.2 | 0 | 0 | 0 | 112.4 | E336 A337 | N333-E336 HydrophobicContact CB-CB 4.19Å; N333-E336 HydrophobicContact CB-CG 3.95Å; N333-E336 VanDerWaalsContact ND2-CD 3.28Å; N333-E336 PolarHBondContact ND2-OE1 3.24Å; N333-E336 PolarHBondContact ND2-OE2 2.89Å; N333-A337 WeakPolarHBondContact O-CB 3.39Å; N333-A337 PolarHBondContact O-N 3.5Å | ||
| 334 | Y | 88.2 | Confident | 90.4 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.7 | -48.9 | -176.1 | 176 | -105.6 | 0 | 0 | 0 | 111.7 | W283 A337 A338 F358 | W283-Y334 AromaticContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CG 4.45Å; W283-Y334 AromaticContact CE2-CD2 3.92Å; W283-Y334 AromaticContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CE2 4.27Å; W283-Y334 HydrophobicContact CG-CD2 4.46Å; W283-Y334 AromaticContact CH2-CD2 3.87Å; W283-Y334 HydrophobicContact CH2-CD2 3.87Å; W283-Y334 AromaticContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CG 4.29Å; W283-Y334 AromaticContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CE2 4.15Å; Y334-A337 CarbonylContact O-C 3.6Å; Y334-A337 WeakPolarHBondContact O-CA 3.49Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.17Å; Y334-A337 VanDerWaalsContact O-N 3.1Å; Y334-A338 PolarHBondContact O-N 2.84Å; Y334-F358 HydrophobicContact CD2-CE1 4.34Å; Y334-F358 AromaticContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CE2-CE1 4.18Å; Y334-F358 AromaticContact CE2-CE2 3.82Å; Y334-F358 HydrophobicContact CE2-CE2 3.82Å; Y334-F358 AromaticContact CE2-CZ 3.46Å; Y334-F358 HydrophobicContact CE2-CZ 3.46Å; Y334-F358 VanDerWaalsContact CE2-CZ 3.46Å |
| 335 | D | 89.1 | Confident | 90.7 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70 | -38.3 | -171.6 | -48.1 | -87.2 | 0 | 0 | 0 | 110.9 | A338 M339 | D335-A338 PolarHBondContact O-N 3.46Å; D335-M339 WeakPolarHBondContact O-CB 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.45Å; D335-M339 PolarHBondContact O-N 3.4Å |
| 336 | E | 89.8 | Confident | 90.8 | Very high | 46 Ų | 46 | 46 Ų | 46 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 167.4 | -67.1 | 175.8 | -165.6 | 0 | 0 | 111.8 | F306 G307 A308 M331 N333 M339 A340 | F306-E336 VanDerWaalsContact O-CB 3.28Å; F306-E336 WeakPolarHBondContact O-CB 3.12Å; F306-E336 WeakPolarHBondContact O-CG 3.29Å; G307-E336 WeakPolarHBondContact CA-OE2 3.34Å; A308-E336 PolarHBondContact N-OE2 3.14Å; A308-E336 VanDerWaalsContact N-OE2 3.1Å; M331-E336 HydrophobicContact CE-CB 3.74Å; N333-E336 HydrophobicContact CB-CB 4.19Å; N333-E336 HydrophobicContact CB-CG 3.95Å; N333-E336 VanDerWaalsContact ND2-CD 3.28Å; N333-E336 PolarHBondContact ND2-OE1 3.24Å; N333-E336 PolarHBondContact ND2-OE2 2.89Å; E336-M339 PolarHBondContact O-N 2.8Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.24Å |
| 337 | A | 90.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W283 I285 M331 N333 Y334 A340 I341 F358 | W283-A337 HydrophobicContact CB-CB 3.94Å; I285-A337 HydrophobicContact CD1-CB 3.86Å; I285-A337 HydrophobicContact CG1-CB 4.26Å; M331-A337 HydrophobicContact CB-CB 4.26Å; M331-A337 HydrophobicContact SD-CB 4.2Å; N333-A337 WeakPolarHBondContact O-CB 3.39Å; N333-A337 PolarHBondContact O-N 3.5Å; Y334-A337 CarbonylContact O-C 3.6Å; Y334-A337 WeakPolarHBondContact O-CA 3.49Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.17Å; Y334-A337 VanDerWaalsContact O-N 3.1Å; A337-A340 PolarHBondContact O-N 2.89Å; A337-I341 WeakPolarHBondContact O-CB 3.39Å; A337-I341 WeakPolarHBondContact O-CD1 3.43Å; A337-I341 VanDerWaalsContact O-CG1 3.26Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3Å; A337-F358 HydrophobicContact CB-CE1 3.84Å; A337-F358 HydrophobicContact CB-CZ 4.24Å |
| 338 | A | 90.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 57 Ų | 57 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y334 D335 I341 A342 F358 | Y334-A338 PolarHBondContact O-N 2.84Å; D335-A338 PolarHBondContact O-N 3.46Å; A338-I341 PolarHBondContact O-N 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.36Å; A338-A342 PolarHBondContact O-N 3.38Å; A338-F358 HydrophobicContact CB-CZ 4.24Å |
| 339 | M | 91.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 53% | 0.527 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.5 | -72.3 | -172.3 | -65.2 | 0 | 0 | 112.3 | F306 D335 E336 A342 S343 | F306-M339 HydrophobicContact CD1-CB 4.46Å; D335-M339 WeakPolarHBondContact O-CB 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.45Å; D335-M339 PolarHBondContact O-N 3.4Å; E336-M339 PolarHBondContact O-N 2.8Å; M339-A342 PolarHBondContact O-N 3.04Å; M339-S343 VanDerWaalsContact O-CB 3.32Å; M339-S343 WeakPolarHBondContact O-CB 3.47Å; M339-S343 PolarHBondContact O-N 2.77Å; M339-S343 PolarHBondContact O-OG 2.95Å |
| 340 | A | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I285 F303 F306 M331 E336 A337 S343 L344 | I285-A340 HydrophobicContact CD1-CB 4.41Å; F303-A340 HydrophobicContact CD1-CB 3.77Å; F303-A340 HydrophobicContact CE1-CB 3.91Å; F306-A340 HydrophobicContact CB-CB 3.72Å; F306-A340 HydrophobicContact CD1-CB 4.38Å; F306-A340 HydrophobicContact CD2-CB 4.07Å; F306-A340 HydrophobicContact CG-CB 3.79Å; M331-A340 HydrophobicContact CE-CB 4.37Å; M331-A340 HydrophobicContact SD-CB 3.86Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.24Å; A337-A340 PolarHBondContact O-N 2.89Å; A340-S343 PolarHBondContact O-N 2.93Å; A340-L344 HydrophobicContact CB-CD1 4.48Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.48Å; A340-L344 PolarHBondContact O-N 2.95Å |
| 341 | I | 93.1 | Very high | 89.8 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 174.3 | -73.9 | 159.9 | 0 | 0 | 0 | 110.7 | I285 A337 A338 S343 N345 V356 F358 | I285-I341 HydrophobicContact CD1-CD1 4.49Å; I285-I341 HydrophobicContact CD1-CG1 4.31Å; I285-I341 HydrophobicContact CG1-CD1 4.22Å; I285-I341 HydrophobicContact CG1-CG1 4.39Å; I285-I341 HydrophobicContact CG2-CD1 4.29Å; I285-I341 HydrophobicContact CG2-CG1 3.86Å; A337-I341 WeakPolarHBondContact O-CB 3.39Å; A337-I341 WeakPolarHBondContact O-CD1 3.43Å; A337-I341 VanDerWaalsContact O-CG1 3.26Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3Å; A338-I341 PolarHBondContact O-N 3.27Å; I341-S343 PolarHBondContact O-N 2.83Å; I341-N345 WeakPolarHBondContact O-CB 3.48Å; I341-N345 PolarHBondContact O-N 3.38Å; I341-V356 HydrophobicContact CB-CG1 4.48Å; I341-V356 HydrophobicContact CG1-CG1 3.97Å; I341-F358 HydrophobicContact CD1-CB 4.38Å; I341-F358 HydrophobicContact CD1-CD1 3.58Å; I341-F358 HydrophobicContact CD1-CD2 3.54Å; I341-F358 HydrophobicContact CD1-CE1 3.59Å; I341-F358 HydrophobicContact CD1-CE2 3.55Å; I341-F358 HydrophobicContact CD1-CG 3.55Å; I341-F358 HydrophobicContact CD1-CZ 3.58Å |
| 342 | A | 91.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 67% | 0.669 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63 | -29.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A338 M339 | A338-A342 WeakPolarHBondContact O-CB 3.36Å; A338-A342 PolarHBondContact O-N 3.38Å; M339-A342 PolarHBondContact O-N 3.04Å |
| 343 | S | 90.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 71 Ų | 71 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -94.6 | -28.4 | -176.9 | -52 | 0 | 0 | 0 | 0 | 113.9 | F306 M339 A340 I341 | F306-S343 VanDerWaalsContact CE1-CB 3.41Å; F306-S343 WeakPolarHBondContact CE1-OG 3.18Å; F306-S343 VanDerWaalsContact CZ-CB 3.43Å; M339-S343 VanDerWaalsContact O-CB 3.32Å; M339-S343 WeakPolarHBondContact O-CB 3.47Å; M339-S343 PolarHBondContact O-N 2.77Å; M339-S343 PolarHBondContact O-OG 2.95Å; A340-S343 PolarHBondContact O-N 2.93Å; I341-S343 PolarHBondContact O-N 2.83Å |
| 344 | L | 93.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -102.3 | -17.6 | -176 | -61.7 | 172.6 | 0 | 0 | 0 | 113.6 | L302 F303 F306 A340 G346 Y347 V356 | L302-L344 HydrophobicContact CB-CD1 4.31Å; L302-L344 HydrophobicContact CB-CD2 4.41Å; L302-L344 HydrophobicContact CD2-CD2 4.24Å; F303-L344 HydrophobicContact CD1-CD1 3.87Å; F303-L344 HydrophobicContact CD2-CD1 3.8Å; F303-L344 HydrophobicContact CE1-CD1 3.68Å; F303-L344 HydrophobicContact CE2-CD1 3.62Å; F303-L344 HydrophobicContact CG-CD1 3.93Å; F303-L344 HydrophobicContact CZ-CD1 3.56Å; F306-L344 HydrophobicContact CD2-CD1 4.14Å; F306-L344 HydrophobicContact CE2-CD1 3.86Å; F306-L344 HydrophobicContact CE2-CD2 4Å; F306-L344 HydrophobicContact CE2-CG 3.85Å; F306-L344 HydrophobicContact CZ-CD2 4.45Å; F306-L344 HydrophobicContact CZ-CG 4.31Å; A340-L344 HydrophobicContact CB-CD1 4.48Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.48Å; A340-L344 PolarHBondContact O-N 2.95Å; L344-G346 PolarHBondContact O-N 2.83Å; L344-Y347 HydrophobicContact CD2-CD2 4.33Å; L344-Y347 HydrophobicContact CD2-CG 4.31Å; L344-Y347 WeakPolarHBondContact O-CB 3.44Å; L344-Y347 PolarHBondContact O-N 2.9Å; L344-V356 HydrophobicContact CB-CB 4.5Å; L344-V356 HydrophobicContact CB-CG2 3.95Å; L344-V356 WeakPolarHBondContact O-CG2 3.44Å |
| 345 | N | 91.5 | Very high | 90.3 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 113.8 | 172.1 | -171.2 | 40.2 | 0 | 0 | 0 | 110 | I341 Q355 V356 | I341-N345 WeakPolarHBondContact O-CB 3.48Å; I341-N345 PolarHBondContact O-N 3.38Å; N345-Q355 WeakPolarHBondContact OD1-CA 3.23Å; N345-V356 HydrophobicContact CB-CB 4Å; N345-V356 WeakPolarHBondContact CB-O 3.45Å; N345-V356 VanDerWaalsContact CG-O 3.32Å; N345-V356 PolarHBondContact OD1-N 3.35Å; N345-V356 PolarHBondContact OD1-O 3.39Å |
| 346 | G | 89.3 | Confident | 90.5 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -0.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L344 L354 | L344-G346 PolarHBondContact O-N 2.83Å; G346-L354 PolarHBondContact N-O 2.98Å |
| 347 | Y | 91.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | -66.3 | 138.8 | 177.9 | -176.6 | -92 | 0 | 0 | 0 | 111.9 | L302 L344 L349 V353 L354 | L302-Y347 HydrophobicContact CD2-CD1 4.23Å; L302-Y347 HydrophobicContact CD2-CE1 3.7Å; L344-Y347 HydrophobicContact CD2-CD2 4.33Å; L344-Y347 HydrophobicContact CD2-CG 4.31Å; L344-Y347 WeakPolarHBondContact O-CB 3.44Å; L344-Y347 PolarHBondContact O-N 2.9Å; Y347-L349 HydrophobicContact CD1-CB 4.43Å; Y347-L349 HydrophobicContact CE1-CB 4.46Å; Y347-V353 CarbonylContact O-C 3.58Å; Y347-V353 WeakPolarHBondContact O-CA 3.09Å; Y347-L354 HydrophobicContact CD1-CD1 4.07Å; Y347-L354 PolarHBondContact O-N 2.64Å | ||
| 348 | R | 90.8 | Very high | 90.7 | Very high | 183 Ų | 183 | 66.1 Ų | 66.1 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 110.1 | 178.5 | -74.5 | 177.1 | 178.5 | -102 | 2.3 | 111.2 | R352 V353 | R348-R352 CarbonylContact C-O 3.59Å; R348-R352 WeakPolarHBondContact CA-O 3.38Å; R348-V353 HydrophobicContact CG-CG2 4.06Å |
| 349 | L | 85.6 | Confident | 90.4 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 20% | 0.199 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 90.1 | 173.1 | -174.9 | 69.3 | 0 | 0 | 0 | 108.7 | L290 V298 Y347 R352 L354 | L290-L349 HydrophobicContact CD2-CD2 4.27Å; V298-L349 HydrophobicContact CG1-CD1 3.86Å; V298-L349 HydrophobicContact CG1-CD2 3.98Å; Y347-L349 HydrophobicContact CD1-CB 4.43Å; Y347-L349 HydrophobicContact CE1-CB 4.46Å; L349-R352 PolarHBondContact N-O 2.93Å; L349-R352 PolarHBondContact O-N 2.78Å; L349-L354 HydrophobicContact CB-CD1 4.12Å; L349-L354 HydrophobicContact CB-CD2 4Å; L349-L354 HydrophobicContact CB-CG 3.99Å; L349-L354 HydrophobicContact CD2-CD1 4.34Å; L349-L354 HydrophobicContact CD2-CD2 4.08Å |
| 350 | G | 84 | Confident | 89.7 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | -139.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R352 | G350-R352 PolarHBondContact O-N 3.09Å; G350-R352 VanDerWaalsContact O-N 3.17Å |
| 351 | D | 85.9 | Confident | 87.8 | Confident | 169 Ų | 169 | 76.2 Ų | 76.2 | 90% | 0.904 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.1 | 178.4 | -56.2 | -69 | 0 | 0 | 0 | 114.4 | ||
| 352 | R | 86.9 | Confident | 85.5 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.9 | -177.5 | -63.1 | -172.2 | -178.7 | -147.6 | -11.9 | 112.3 | N289 L290 R348 L349 G350 | N289-R352 WeakPolarHBondContact O-CB 3.45Å; N289-R352 WeakPolarHBondContact O-CD 3.34Å; L290-R352 WeakPolarHBondContact O-CD 3.36Å; L290-R352 PolarHBondContact O-NH1 3.46Å; R348-R352 CarbonylContact C-O 3.59Å; R348-R352 WeakPolarHBondContact CA-O 3.38Å; L349-R352 PolarHBondContact N-O 2.93Å; L349-R352 PolarHBondContact O-N 2.78Å; G350-R352 PolarHBondContact O-N 3.09Å; G350-R352 VanDerWaalsContact O-N 3.17Å |
| 353 | V | 91.8 | Very high | 83.1 | Confident | 55 Ų | 55 | 84.3 Ų | 84.3 | 33% | 0.333 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.8 | 170.7 | 179 | 0 | 0 | 0 | 0 | 108.3 | N289 Y347 R348 | N289-V353 WeakPolarHBondContact CB-O 3.2Å; N289-V353 PolarHBondContact ND2-O 2.8Å; Y347-V353 CarbonylContact O-C 3.58Å; Y347-V353 WeakPolarHBondContact O-CA 3.09Å; R348-V353 HydrophobicContact CG-CG2 4.06Å |
| 354 | L | 93.4 | Very high | 80.4 | Confident | 1 Ų | 1 | 89.8 Ų | 89.8 | 1% | 0.005 | 47% | 0.474 | C | S | . | . | trans | -67.2 | 139.5 | 178.3 | -59.6 | -173.7 | 0 | 0 | 0 | 110.8 | L290 L302 G346 Y347 L349 V356 | L290-L354 HydrophobicContact CD2-CD2 3.82Å; L302-L354 HydrophobicContact CD1-CD1 3.91Å; G346-L354 PolarHBondContact N-O 2.98Å; Y347-L354 HydrophobicContact CD1-CD1 4.07Å; Y347-L354 PolarHBondContact O-N 2.64Å; L349-L354 HydrophobicContact CB-CD1 4.12Å; L349-L354 HydrophobicContact CB-CD2 4Å; L349-L354 HydrophobicContact CB-CG 3.99Å; L349-L354 HydrophobicContact CD2-CD1 4.34Å; L349-L354 HydrophobicContact CD2-CD2 4.08Å; L354-V356 HydrophobicContact CB-CG2 4.26Å | ||
| 355 | Q | 92.6 | Very high | 77.7 | Confident | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.6 | 168.2 | -69.7 | 178.7 | -9.2 | 0 | 0 | 108.2 | V287 Y288 N345 | V287-Q355 WeakPolarHBondContact CA-O 3.32Å; Y288-Q355 PolarHBondContact N-O 2.96Å; Y288-Q355 PolarHBondContact O-N 3Å; N345-Q355 WeakPolarHBondContact OD1-CA 3.23Å |
| 356 | V | 94.1 | Very high | 74.9 | Confident | 2 Ų | 2 | 103.7 Ų | 103.7 | 1% | 0.012 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.5 | -172.2 | -173.1 | 0 | 0 | 0 | 0 | 109 | I285 F286 V287 F303 I341 L344 N345 L354 | I285-V356 HydrophobicContact CG2-CG1 3.47Å; I285-V356 VanDerWaalsContact CG2-CG1 3.47Å; F286-V356 WeakPolarHBondContact O-CA 3.41Å; V287-V356 HydrophobicContact CG1-CG2 4.29Å; V287-V356 HydrophobicContact CG2-CG1 4.41Å; F303-V356 HydrophobicContact CE1-CG1 4.17Å; F303-V356 HydrophobicContact CZ-CG1 3.79Å; I341-V356 HydrophobicContact CB-CG1 4.48Å; I341-V356 HydrophobicContact CG1-CG1 3.97Å; L344-V356 HydrophobicContact CB-CB 4.5Å; L344-V356 HydrophobicContact CB-CG2 3.95Å; L344-V356 WeakPolarHBondContact O-CG2 3.44Å; N345-V356 HydrophobicContact CB-CB 4Å; N345-V356 WeakPolarHBondContact CB-O 3.45Å; N345-V356 VanDerWaalsContact CG-O 3.32Å; N345-V356 PolarHBondContact OD1-N 3.35Å; N345-V356 PolarHBondContact OD1-O 3.39Å; L354-V356 HydrophobicContact CB-CG2 4.26Å |
| 357 | S | 91.7 | Very high | 74.2 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -156.7 | 162.8 | -177.6 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | I285 F286 K359 | I285-S357 CarbonylContact C-O 3.56Å; I285-S357 WeakPolarHBondContact CA-O 3.45Å; I285-S357 WeakPolarHBondContact CG2-O 3.38Å; F286-S357 PolarHBondContact N-O 3.02Å; F286-S357 PolarHBondContact O-N 3.2Å; F286-S357 VanDerWaalsContact O-N 3.09Å; S357-K359 PolarHBondContact O-N 3.23Å |
| 358 | F | 91.8 | Very high | 73.2 | Confident | 62 Ų | 62 | 106.8 Ų | 106.8 | 27% | 0.272 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.8 | 169.1 | -73.8 | -65.8 | 0 | 0 | 0 | 110.3 | W283 Y334 A337 A338 I341 T360 | W283-F358 HydrophobicContact CB-CE1 4.26Å; W283-F358 HydrophobicContact CE3-CE1 4.47Å; Y334-F358 HydrophobicContact CD2-CE1 4.34Å; Y334-F358 AromaticContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CE2-CE1 4.18Å; Y334-F358 AromaticContact CE2-CE2 3.82Å; Y334-F358 HydrophobicContact CE2-CE2 3.82Å; Y334-F358 AromaticContact CE2-CZ 3.46Å; Y334-F358 HydrophobicContact CE2-CZ 3.46Å; Y334-F358 VanDerWaalsContact CE2-CZ 3.46Å; A337-F358 HydrophobicContact CB-CE1 3.84Å; A337-F358 HydrophobicContact CB-CZ 4.24Å; A338-F358 HydrophobicContact CB-CZ 4.24Å; I341-F358 HydrophobicContact CD1-CB 4.38Å; I341-F358 HydrophobicContact CD1-CD1 3.58Å; I341-F358 HydrophobicContact CD1-CD2 3.54Å; I341-F358 HydrophobicContact CD1-CE1 3.59Å; I341-F358 HydrophobicContact CD1-CE2 3.55Å; I341-F358 HydrophobicContact CD1-CG 3.55Å; I341-F358 HydrophobicContact CD1-CZ 3.58Å; F358-T360 PolarHBondContact O-N 2.83Å |
| 359 | K | 84.6 | Confident | 72.3 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 42% | 0.422 | 56% | 0.56 | S | S | . | * | trans | -63.8 | 103.6 | 179 | 179.3 | -174.2 | 178 | -177 | 0 | 110.1 | C284 F286 F328 S357 N361 | C284-K359 HydrophobicContact CB-CB 4.14Å; C284-K359 HydrophobicContact CB-CD 4.14Å; C284-K359 VanDerWaalsContact O-CB 3.29Å; C284-K359 WeakPolarHBondContact O-CB 3.46Å; C284-K359 PolarHBondContact O-N 2.68Å; C284-K359 WeakPolarHBondContact SG-CD 3.35Å; F286-K359 HydrophobicContact CB-CB 4.39Å; F328-K359 HydrophobicContact CD1-CD 3.91Å; F328-K359 HydrophobicContact CD1-CG 4.39Å; F328-K359 HydrophobicContact CE1-CD 3.87Å; F328-K359 HydrophobicContact CE1-CG 4.13Å; S357-K359 PolarHBondContact O-N 3.23Å; K359-N361 PolarHBondContact O-N 3.11Å | ||
| 360 | T | 76.6 | Confident | 71.5 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 76% | 0.761 | 58% | 0.581 | S | S | * | * | trans | -67.9 | 125.6 | 170 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | F358 K362 | F358-T360 PolarHBondContact O-N 2.83Å; T360-K362 PolarHBondContact O-N 2.84Å | ||
| 361 | N | 54.3 | Low | 70.7 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | trans | -80.4 | 110.5 | 172.1 | -164.1 | 6.8 | 0 | 0 | 0 | 108 | K359 A363 | K359-N361 PolarHBondContact O-N 3.11Å; N361-A363 VanDerWaalsContact C-N 3.31Å; N361-A363 PolarHBondContact O-N 2.88Å | ||
| 362 | K | 44.5 | Very low | 69.7 | Low | 186 Ų | 186 | 105.2 Ų | 105.2 | 81% | 0.809 | 56% | 0.556 | S | S | * | * | trans | -67.6 | 94.1 | 170.9 | -82.3 | -170.6 | 175.9 | -177.7 | 0 | 108.4 | T360 H364 | T360-K362 PolarHBondContact O-N 2.84Å; K362-H364 PolarHBondContact O-N 3.2Å; K362-H364 VanDerWaalsContact O-N 3.15Å | ||
| 363 | A | 40.1 | Very low | 68.5 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 74% | 0.744 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 121.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | N361 K365 | N361-A363 VanDerWaalsContact C-N 3.31Å; N361-A363 PolarHBondContact O-N 2.88Å; A363-K365 PolarHBondContact O-N 3.15Å |
| 364 | H | 35.2 | Very low | 66.7 | Low | 182 Ų | 182 | 110 Ų | 110 | 84% | 0.843 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 123.9 | 167.8 | -98.2 | -108.5 | 0 | 0 | 0 | 107.4 | K362 S366 | K362-H364 PolarHBondContact O-N 3.2Å; K362-H364 VanDerWaalsContact O-N 3.15Å; H364-S366 PolarHBondContact O-N 3.27Å |
| 365 | K | 35.2 | Very low | 64.4 | Low | 203 Ų | 203 | 119.1 Ų | 119.1 | 88% | 0.883 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.7 | 153.9 | -91.7 | -171.1 | 168.1 | -172.1 | 0 | 106.2 | A363 | A363-K365 PolarHBondContact O-N 3.15Š|
| 366 | S | 32.8 | Very low | 61.9 | Low | 187 Ų | 187 | 119.7 Ų | 119.7 | 100% | 1.308 | 65% | 0.648 | S | S | * | * | trans | -62.8 | 0 | 160.8 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | H364 | H364-S366 PolarHBondContact O-N 3.27Š|
Retrieved 366 of 366 residues in 1322.1 ms
(Link to these results)