| 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 | 39.9 | Very low | 43.6 | Very low | 236 Ų | 236 | 154.5 Ų | 154.5 | 100% | 1.163 | 84% | 0.844 | S | S | * | * | 0 | 107.5 | 0 | -78.4 | 165.1 | 170 | 0 | 0 | 106.5 | |||||
| 2 | T | 44.9 | Very low | 43.2 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 83% | 0.828 | 84% | 0.836 | S | S | * | * | trans | -127.7 | 97.5 | 175.5 | 47.2 | 0 | 0 | 0 | 0 | 106.5 | L4 | T2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | D | 37.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 154 Ų | 154 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -76.4 | 115.4 | 174.1 | -71.5 | -33.5 | 0 | 0 | 0 | 108.4 | ||||
| 4 | L | 44.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -95.3 | 94 | 172.8 | -142.8 | 110.8 | 0 | 0 | 0 | 107.2 | T2 L6 | T2-L4 PolarHBondContact O-N 3.47Å; L4-L6 PolarHBondContact O-N 2.96Å | ||
| 5 | S | 44.8 | Very low | 42.3 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -67.4 | 110.9 | -179.1 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | L7 | S5-L7 PolarHBondContact O-N 2.94Å; S5-L7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | L | 41.3 | Very low | 41.8 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -71.4 | 96.6 | 168.5 | -76.6 | 166.5 | 0 | 0 | 0 | 109.3 | L4 L8 | L4-L6 PolarHBondContact O-N 2.96Å; L6-L8 PolarHBondContact O-N 3.38Å | ||
| 7 | L | 42.3 | Very low | 41.4 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -82.5 | 96.7 | 167.9 | -86.7 | 147.4 | 0 | 0 | 0 | 109.2 | S5 T9 | S5-L7 PolarHBondContact O-N 2.94Å; S5-L7 VanDerWaalsContact O-N 3.11Å; L7-T9 PolarHBondContact O-N 3.29Å; L7-T9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | L | 42 | Very low | 41.1 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 103.4 | 168.5 | -167.2 | 71.1 | 0 | 0 | 0 | 108.3 | L6 | L6-L8 PolarHBondContact O-N 3.38Š| ||
| 9 | T | 45.4 | Very low | 40.8 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 118.3 | 178.7 | -50.8 | 0 | 0 | 0 | 0 | 108.3 | L7 D11 | L7-T9 PolarHBondContact O-N 3.29Å; L7-T9 VanDerWaalsContact O-N 3.16Å; T9-D11 PolarHBondContact O-N 2.79Å |
| 10 | N | 51.2 | Low | 40.4 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.1 | 178.9 | -78.9 | -41.7 | 0 | 0 | 0 | 111.5 | N12 | N10-N12 PolarHBondContact O-N 3.44Š|
| 11 | D | 46.2 | Very low | 40.2 | Very low | 156 Ų | 156 | 154 Ų | 154 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.7 | 166.7 | -77 | -61 | 0 | 0 | 0 | 110.8 | T9 | T9-D11 PolarHBondContact O-N 2.79Š|
| 12 | N | 38.9 | Very low | 39.9 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -128.4 | 103.5 | 159.5 | -166.1 | -74.6 | 0 | 0 | 0 | 108.7 | N10 S14 | N10-N12 PolarHBondContact O-N 3.44Å; N12-S14 PolarHBondContact O-N 3.32Å | ||
| 13 | I | 38.2 | Very low | 39.2 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -83.7 | 104.2 | 172.2 | -62 | 162.4 | 0 | 0 | 0 | 106.7 | ||||
| 14 | S | 41.1 | Very low | 38.8 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -107.3 | 102.4 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | N12 R16 | N12-S14 PolarHBondContact O-N 3.32Å; S14-R16 PolarHBondContact O-N 3.16Å | ||
| 15 | L | 36.6 | Very low | 38 | Very low | 171 Ų | 171 | 148 Ų | 148 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 116.4 | 167.3 | -169.2 | 82.5 | 0 | 0 | 0 | 108.9 | ||||
| 16 | R | 33.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -138.9 | 105.1 | 168.2 | -148.7 | -176.2 | -173 | -145.4 | 1.2 | 111.4 | S14 | S14-R16 PolarHBondContact O-N 3.16Š| ||
| 17 | Q | 36.6 | Very low | 36.8 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 135.8 | 161.3 | -106.2 | 176.1 | 0.4 | 0 | 0 | 109.3 | ||||
| 18 | N | 35.8 | Very low | 36.5 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 66% | 0.663 | 80% | 0.804 | S | S | * | * | trans | -166.2 | 131.8 | 147.9 | 44.4 | -25.1 | 0 | 0 | 0 | 111 | ||||
| 19 | M | 35.5 | Very low | 36 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | trans | -83.9 | 171.5 | -179.9 | -60.7 | 165.6 | 77.3 | 0 | 0 | 111.6 | ||||
| 20 | E | 33.1 | Very low | 35.5 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 96.5 | 106.9 | 152.5 | -68.5 | 171.5 | 135.3 | 0 | 0 | 120.4 | ||||
| 21 | A | 35.8 | Very low | 34.8 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | 28.8 | 125.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 22 | E | 32.7 | Very low | 34.5 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | 177.5 | 123.9 | 113.2 | -96.6 | -168.9 | 124.4 | 0 | 0 | 113.8 | |||||
| 23 | V | 30.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 29.3 | 126.4 | 137.5 | 166.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 24 | C | 28.1 | Very low | 35 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | 52.6 | 136 | 145.8 | -63.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 25 | T | 27.2 | Very low | 35.1 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | -173.2 | 139.8 | 62.9 | -31.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 26 | A | 31.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | 53 | 123.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 27 | G | 29.8 | Very low | 36.1 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -177.1 | 92.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | S | 36.1 | Very low | 36 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -49.6 | 138.8 | -176.6 | 51.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 29 | T | 32.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | -162.7 | 98.3 | 128.8 | 47.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 30 | E | 35.4 | Very low | 36.5 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | 74.5 | 90.5 | 110.7 | -161.9 | 170.7 | -165.6 | 0 | 0 | 112.8 | |||||
| 31 | F | 34.8 | Very low | 37.2 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -87 | 122.1 | 172.8 | -81.9 | -99.8 | 0 | 0 | 0 | 109.2 | ||||
| 32 | E | 40.4 | Very low | 37.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -81.1 | 113.1 | 164.4 | -172.1 | 170.5 | 176.1 | 0 | 0 | 109.1 | V34 | E32-V34 PolarHBondContact O-N 3.31Š| ||
| 33 | T | 42.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 119.1 | 175.5 | -5.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 34 | V | 45.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -115.3 | 126.9 | 157.8 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | E32 | E32-V34 PolarHBondContact O-N 3.31Š| ||
| 35 | E | 43.3 | Very low | 41.4 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -53.2 | 123.9 | -166.4 | -61 | 170.7 | 143.6 | 0 | 0 | 113.8 | ||||
| 36 | I | 46.5 | Very low | 42.9 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -102.5 | 90.6 | 159.6 | -54.1 | 175.8 | 0 | 0 | 0 | 107.1 | ||||
| 37 | A | 43.9 | Very low | 44.2 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -134.7 | 76.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | E | 35.8 | Very low | 45.8 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | -156.1 | 106.1 | 139 | -136.4 | 179 | 153 | 0 | 0 | 111.6 | K40 | E38-K40 VanDerWaalsContact C-N 3.27Å; E38-K40 HydrophobicContact CG-CG 4.35Å; E38-K40 PolarHBondContact O-N 3.21Å; E38-K40 WeakPolarHBondContact OE1-CE 3.18Å; E38-K40 IonicContact OE1-NZ 2.93Å; E38-K40 PolarHBondContact OE1-NZ 3.42Å; E38-K40 VanDerWaalsContact OE2-CE 3.31Å; E38-K40 WeakPolarHBondContact OE2-CE 3.18Å; E38-K40 IonicContact OE2-NZ 2.66Å; E38-K40 PolarHBondContact OE2-NZ 3.26Å | ||
| 39 | C | 42.5 | Very low | 47.4 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -65 | 87.2 | 164.7 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | S41 | C39-S41 PolarHBondContact O-N 3.41Š| ||
| 40 | K | 39.8 | Very low | 49.5 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | trans | -95.1 | 91.6 | 168.3 | -79.1 | 177.7 | 172.2 | 139.3 | 0 | 108.8 | E38 R42 | E38-K40 VanDerWaalsContact C-N 3.27Å; E38-K40 HydrophobicContact CG-CG 4.35Å; E38-K40 PolarHBondContact O-N 3.21Å; E38-K40 WeakPolarHBondContact OE1-CE 3.18Å; E38-K40 IonicContact OE1-NZ 2.93Å; E38-K40 PolarHBondContact OE1-NZ 3.42Å; E38-K40 VanDerWaalsContact OE2-CE 3.31Å; E38-K40 WeakPolarHBondContact OE2-CE 3.18Å; E38-K40 IonicContact OE2-NZ 2.66Å; E38-K40 PolarHBondContact OE2-NZ 3.26Å; K40-R42 PolarHBondContact O-N 3.21Å | ||
| 41 | S | 46.7 | Very low | 51.7 | Low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | 8.3 | 100.2 | 153.1 | 44.1 | 0 | 0 | 0 | 0 | 114.8 | C39 K43 | C39-S41 PolarHBondContact O-N 3.41Å; S41-K43 VanDerWaalsContact C-N 3.26Å; S41-K43 PolarHBondContact O-N 2.96Å | ||
| 42 | R | 45.4 | Very low | 54.1 | Low | 246 Ų | 246 | 137.8 Ų | 137.8 | 93% | 0.928 | 70% | 0.695 | S | S | * | * | trans | -58.9 | 94.2 | 164.5 | -69.4 | -171.3 | -112.6 | -163 | -2.8 | 107.8 | K40 V44 | K40-R42 PolarHBondContact O-N 3.21Å; R42-V44 PolarHBondContact O-N 3.42Å; R42-V44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | K | 53.6 | Low | 56 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | trans | -62.4 | 114.8 | 164.6 | -65.7 | -179.6 | -177.1 | 178.8 | 0 | 105.2 | S41 K45 | S41-K43 VanDerWaalsContact C-N 3.26Å; S41-K43 PolarHBondContact O-N 2.96Å; K43-K45 PolarHBondContact O-N 3.16Å | ||
| 44 | V | 57.6 | Low | 57.9 | Low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -58.4 | 103.3 | 173.7 | 179 | 0 | 0 | 0 | 0 | 106.4 | R42 | R42-V44 PolarHBondContact O-N 3.42Å; R42-V44 VanDerWaalsContact O-N 3.14Å | ||
| 45 | K | 59.8 | Low | 59.7 | Low | 149 Ų | 149 | 133.6 Ų | 133.6 | 65% | 0.648 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129.1 | 178.8 | -82 | 179.1 | 172.6 | -172.7 | 0 | 107.4 | K43 P47 Y62 | K43-K45 PolarHBondContact O-N 3.16Å; K45-P47 WeakPolarHBondContact O-CD 3.33Å; K45-Y62 HydrophobicContact CB-CD1 4.46Å; K45-Y62 HydrophobicContact CB-CE1 4.17Å |
| 46 | V | 59 | Low | 61.5 | Low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.8 | 178 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | R48 | V46-R48 PolarHBondContact O-N 3.37Š|
| 47 | P | 58.5 | Low | 63.1 | Low | 35 Ų | 35 | 126 Ų | 126 | 23% | 0.227 | 66% | 0.66 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 131.4 | -179.7 | -21.5 | 31.1 | 0 | 0 | 0 | 110.9 | K45 R49 I50 E60 | K45-P47 WeakPolarHBondContact O-CD 3.33Å; P47-R49 VanDerWaalsContact C-N 3.28Å; P47-R49 PolarHBondContact O-N 3.2Å; P47-I50 HydrophobicContact CB-CG1 4.23Å; P47-E60 HydrophobicContact CB-CB 4.19Å; P47-E60 HydrophobicContact CB-CG 4.09Å; P47-E60 HydrophobicContact CG-CB 4.18Å; P47-E60 HydrophobicContact CG-CG 3.76Å |
| 48 | R | 63.3 | Low | 64.7 | Low | 214 Ų | 214 | 124.9 Ų | 124.9 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -65 | -33.7 | 175.7 | -86.1 | -173.9 | 164.5 | -164.1 | -1.2 | 111.8 | V46 | V46-R48 PolarHBondContact O-N 3.37Š|
| 49 | R | 68.7 | Low | 66.8 | Low | 140 Ų | 140 | 123 Ų | 123 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | trans | -154.7 | 135.4 | 177.3 | -167.5 | 174 | 63.7 | 106.1 | 3.1 | 110.4 | P47 I51 E61 | P47-R49 VanDerWaalsContact C-N 3.28Å; P47-R49 PolarHBondContact O-N 3.2Å; R49-I51 VanDerWaalsContact NH2-CD1 3.26Å; R49-E61 IonicContact CZ-OE2 3.58Å; R49-E61 IonicContact NE-OE2 3.85Å; R49-E61 IonicContact NH2-OE1 3.31Å; R49-E61 IonicContact NH2-OE2 2.76Å; R49-E61 PolarHBondContact NH2-OE2 3.31Å | ||
| 50 | I | 77.3 | Confident | 67.9 | Low | 79 Ų | 79 | 120.5 Ų | 120.5 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.4 | 173.8 | -57.5 | 174 | 0 | 0 | 0 | 107.3 | P47 T58 | P47-I50 HydrophobicContact CB-CG1 4.23Å; I50-T58 HydrophobicContact CG2-CG2 4.15Å |
| 51 | I | 80.3 | Confident | 69 | Low | 36 Ų | 36 | 118 Ų | 118 | 19% | 0.185 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.4 | 174.1 | -52.5 | 179.1 | 0 | 0 | 0 | 108.3 | R49 F53 T58 M59 E61 | R49-I51 VanDerWaalsContact NH2-CD1 3.26Å; I51-F53 HydrophobicContact CB-CE2 4.47Å; I51-F53 HydrophobicContact CG2-CE2 4.22Å; I51-F53 HydrophobicContact CG2-CZ 4.15Å; I51-T58 VanDerWaalsContact O-CA 3.3Å; I51-T58 WeakPolarHBondContact O-CA 3.26Å; I51-M59 PolarHBondContact N-O 3.29Å; I51-M59 VanDerWaalsContact N-O 3.08Å; I51-M59 PolarHBondContact O-N 3.48Å; I51-E61 HydrophobicContact CD1-CG 4.19Å; I51-E61 VanDerWaalsContact CD1-OE1 3.25Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.4Å |
| 52 | H | 85.5 | Confident | 69.3 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.7 | 176.6 | -62.8 | -88 | 0 | 0 | 0 | 110 | T58 | H52-T58 WeakPolarHBondContact ND1-CG2 3.39Å |
| 53 | F | 81.9 | Confident | 69.9 | Low | 98 Ų | 98 | 112.5 Ų | 112.5 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -89.8 | 154.5 | 173.8 | -65.9 | -84.4 | 0 | 0 | 0 | 110.9 | I51 N55 G56 E57 M59 | I51-F53 HydrophobicContact CB-CE2 4.47Å; I51-F53 HydrophobicContact CG2-CE2 4.22Å; I51-F53 HydrophobicContact CG2-CZ 4.15Å; F53-N55 PolarHBondContact O-N 3.13Å; F53-G56 PolarHBondContact O-N 3.33Å; F53-E57 WeakPolarHBondContact CD2-O 3.49Å; F53-E57 PolarHBondContact N-O 3.1Å; F53-M59 HydrophobicContact CE2-CB 3.64Å; F53-M59 HydrophobicContact CE2-CE 4.28Å; F53-M59 HydrophobicContact CE2-SD 4.46Å; F53-M59 HydrophobicContact CZ-CB 4.48Å; F53-M59 HydrophobicContact CZ-CE 4Å |
| 54 | A | 82.1 | Confident | 69.9 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 98% | 0.983 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -17.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | G56 | A54-G56 PolarHBondContact O-N 2.94Š|
| 55 | N | 82 | Confident | 69.5 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 77% | 0.77 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 2.9 | 173.3 | -163.7 | 32 | 0 | 0 | 0 | 113.6 | F53 E57 | F53-N55 PolarHBondContact O-N 3.13Å; N55-E57 PolarHBondContact O-N 2.9Å |
| 56 | G | 80.4 | Confident | 68.7 | Low | 65 Ų | 65 | 112.3 Ų | 112.3 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 80.6 | -1.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F53 A54 | F53-G56 PolarHBondContact O-N 3.33Å; A54-G56 PolarHBondContact O-N 2.94Å |
| 57 | E | 81.4 | Confident | 68.2 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | trans | -79.5 | 141.5 | 174.7 | -168.4 | 168 | -156.4 | 0 | 0 | 110.8 | F53 N55 | F53-E57 WeakPolarHBondContact CD2-O 3.49Å; F53-E57 PolarHBondContact N-O 3.1Å; N55-E57 PolarHBondContact O-N 2.9Å | ||
| 58 | T | 77.8 | Confident | 67.4 | Low | 69 Ų | 69 | 120.4 Ų | 120.4 | 42% | 0.423 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.3 | -178.7 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | I50 I51 H52 | I50-T58 HydrophobicContact CG2-CG2 4.15Å; I51-T58 VanDerWaalsContact O-CA 3.3Å; I51-T58 WeakPolarHBondContact O-CA 3.26Å; H52-T58 WeakPolarHBondContact ND1-CG2 3.39Å |
| 59 | M | 78.6 | Confident | 66.4 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 130.3 | 178.6 | -171 | 172.1 | 73.6 | 0 | 0 | 110.5 | I51 F53 | I51-M59 PolarHBondContact N-O 3.29Å; I51-M59 VanDerWaalsContact N-O 3.08Å; I51-M59 PolarHBondContact O-N 3.48Å; F53-M59 HydrophobicContact CE2-CB 3.64Å; F53-M59 HydrophobicContact CE2-CE 4.28Å; F53-M59 HydrophobicContact CE2-SD 4.46Å; F53-M59 HydrophobicContact CZ-CB 4.48Å; F53-M59 HydrophobicContact CZ-CE 4Å |
| 60 | E | 67.1 | Low | 65.3 | Low | 85 Ų | 85 | 120 Ų | 120 | 40% | 0.397 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 114.1 | 177.4 | -62.8 | -179.3 | 171.7 | 0 | 0 | 109.5 | P47 Y62 | P47-E60 HydrophobicContact CB-CB 4.19Å; P47-E60 HydrophobicContact CB-CG 4.09Å; P47-E60 HydrophobicContact CG-CB 4.18Å; P47-E60 HydrophobicContact CG-CG 3.76Å; E60-Y62 HydrophobicContact CB-CD2 4.43Å; E60-Y62 HydrophobicContact CB-CE2 3.8Å; E60-Y62 PolarHBondContact O-N 3.28Å; E60-Y62 PolarHBondContact OE2-OH 3.48Å |
| 61 | E | 62.6 | Low | 63.5 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 43% | 0.43 | 64% | 0.64 | S | S | . | * | trans | -81.8 | 106.8 | 175.3 | -66.8 | 179.6 | 156.2 | 0 | 0 | 109.6 | R49 I51 S63 | R49-E61 IonicContact CZ-OE2 3.58Å; R49-E61 IonicContact NE-OE2 3.85Å; R49-E61 IonicContact NH2-OE1 3.31Å; R49-E61 IonicContact NH2-OE2 2.76Å; R49-E61 PolarHBondContact NH2-OE2 3.31Å; I51-E61 HydrophobicContact CD1-CG 4.19Å; I51-E61 VanDerWaalsContact CD1-OE1 3.25Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.4Å; E61-S63 PolarHBondContact O-N 2.92Å | ||
| 62 | Y | 53.2 | Low | 61.6 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 50% | 0.498 | 67% | 0.674 | S | S | . | * | trans | -87.2 | 93.3 | 167.2 | -64.7 | -89.5 | 0 | 0 | 0 | 108.3 | K45 E60 T64 | K45-Y62 HydrophobicContact CB-CD1 4.46Å; K45-Y62 HydrophobicContact CB-CE1 4.17Å; E60-Y62 HydrophobicContact CB-CD2 4.43Å; E60-Y62 HydrophobicContact CB-CE2 3.8Å; E60-Y62 PolarHBondContact O-N 3.28Å; E60-Y62 PolarHBondContact OE2-OH 3.48Å; Y62-T64 PolarHBondContact O-N 3.34Å | ||
| 63 | S | 57.5 | Low | 59.4 | Low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | trans | -60.6 | 119.5 | 173.9 | -161.8 | 0 | 0 | 0 | 0 | 108.8 | E61 D65 | E61-S63 PolarHBondContact O-N 2.92Å; S63-D65 PolarHBondContact O-N 2.74Å | ||
| 64 | T | 52.7 | Low | 57.6 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | trans | -64 | 129.2 | 167.7 | -61.5 | 0 | 0 | 0 | 0 | 107.2 | Y62 E66 | Y62-T64 PolarHBondContact O-N 3.34Å; T64-E66 PolarHBondContact O-N 3.32Å | ||
| 65 | D | 49.4 | Very low | 55.8 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -77.4 | 102 | -169.8 | -173 | 31 | 0 | 0 | 0 | 109.3 | S63 | S63-D65 PolarHBondContact O-N 2.74Š|
| 66 | E | 44.4 | Very low | 53.9 | Low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | trans | -151 | 46.7 | 157.5 | -105.6 | -171.7 | -169.2 | 0 | 0 | 108.5 | T64 | T64-E66 PolarHBondContact O-N 3.32Š| ||
| 67 | E | 48.5 | Very low | 52.7 | Low | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | trans | -103.5 | 72.9 | 153.7 | -81.4 | -176.4 | 167.8 | 0 | 0 | 106.2 | E69 | E67-E69 PolarHBondContact O-N 2.97Š| ||
| 68 | E | 41.6 | Very low | 51.5 | Low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | trans | -72.9 | 109.2 | 167.4 | -170.1 | 167.8 | -156.1 | 0 | 0 | 107.7 | ||||
| 69 | E | 41.1 | Very low | 50.5 | Low | 138 Ų | 138 | 138.9 Ų | 138.9 | 65% | 0.645 | 70% | 0.7 | S | S | * | * | trans | 48.9 | 96.5 | 155.3 | -78.4 | 169.9 | 172.1 | 0 | 0 | 117.4 | E67 E71 | E67-E69 PolarHBondContact O-N 2.97Å; E69-E71 HydrophobicContact CB-CG 4.25Å; E69-E71 HydrophobicContact CG-CG 4.41Å; E69-E71 PolarHBondContact O-N 3.43Å | ||
| 70 | E | 45.2 | Very low | 49.8 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 97% | 0.972 | 69% | 0.693 | S | S | * | * | trans | -62.2 | 72.2 | 141.1 | -68.1 | -177.9 | 161.9 | 0 | 0 | 109.5 | ||||
| 71 | E | 39.9 | Very low | 49.6 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | trans | -94.2 | 134 | 156.7 | -76.7 | -160.1 | 164.8 | 0 | 0 | 108.9 | E69 H73 | E69-E71 HydrophobicContact CB-CG 4.25Å; E69-E71 HydrophobicContact CG-CG 4.41Å; E69-E71 PolarHBondContact O-N 3.43Å; E71-H73 PolarHBondContact O-N 3.22Å | ||
| 72 | E | 40.8 | Very low | 49.6 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 69% | 0.692 | S | S | * | * | trans | -55.9 | 75.6 | 177.6 | -63.1 | 179.9 | 145.6 | 0 | 0 | 112.2 | V74 | E72-V74 PolarHBondContact O-N 2.84Š| ||
| 73 | H | 40.1 | Very low | 50.2 | Low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -71.6 | 93 | 159.1 | -89.7 | -83.5 | 0 | 0 | 0 | 106.8 | E71 K75 | E71-H73 PolarHBondContact O-N 3.22Å; H73-K75 PolarHBondContact O-N 3.47Å | ||
| 74 | V | 42.8 | Very low | 50.8 | Low | 119 Ų | 119 | 136.9 Ų | 136.9 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -22.6 | 129.1 | 144.1 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | E72 Q76 | E72-V74 PolarHBondContact O-N 2.84Å; V74-Q76 PolarHBondContact O-N 2.99Å | ||
| 75 | K | 44.5 | Very low | 51.4 | Low | 207 Ų | 207 | 133.9 Ų | 133.9 | 90% | 0.9 | 68% | 0.681 | S | S | * | * | trans | -59.4 | 57.6 | 173.2 | -61.9 | 173.2 | -177.7 | 174.8 | 0 | 110.9 | H73 V77 | H73-K75 PolarHBondContact O-N 3.47Å; K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.11Å; K75-V77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | Q | 43.2 | Very low | 52.7 | Low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -71.8 | 103.3 | 161.5 | -155 | 173.2 | 16.7 | 0 | 0 | 101.5 | V74 V78 | V74-Q76 PolarHBondContact O-N 2.99Å; Q76-V78 PolarHBondContact O-N 3.31Å | ||
| 77 | V | 54.8 | Low | 54.5 | Low | 106 Ų | 106 | 134 Ų | 134 | 64% | 0.642 | 68% | 0.676 | S | S | * | * | trans | -46 | 97.2 | 158.9 | 177 | 0 | 0 | 0 | 0 | 104.3 | K75 S79 | K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.11Å; K75-V77 VanDerWaalsContact O-N 3.1Å; V77-S79 VanDerWaalsContact C-N 3.29Å; V77-S79 PolarHBondContact O-N 3.11Å | ||
| 78 | V | 54.8 | Low | 56.3 | Low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | trans | -55.3 | 110.5 | 172.7 | 173.9 | 0 | 0 | 0 | 0 | 102 | Q76 V80 | Q76-V78 PolarHBondContact O-N 3.31Å; V78-V80 HydrophobicContact CB-CG2 4.45Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V78-V80 PolarHBondContact O-N 3.32Å | ||
| 79 | S | 57 | Low | 58.3 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | trans | -67.7 | 75.9 | 172.8 | 51.4 | 0 | 0 | 0 | 0 | 104.8 | V77 D81 | V77-S79 VanDerWaalsContact C-N 3.29Å; V77-S79 PolarHBondContact O-N 3.11Å; S79-D81 PolarHBondContact O-N 2.88Å | ||
| 80 | V | 64.3 | Low | 60.4 | Low | 52 Ų | 52 | 121.2 Ų | 121.2 | 32% | 0.315 | 63% | 0.63 | S | S | . | * | trans | -52.6 | 117.8 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 103.9 | V78 T82 L85 | V78-V80 HydrophobicContact CB-CG2 4.45Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V78-V80 PolarHBondContact O-N 3.32Å; V80-T82 PolarHBondContact O-N 3.33Å; V80-L85 HydrophobicContact CG1-CD1 3.63Å; V80-L85 HydrophobicContact CG1-CD2 4.03Å | ||
| 81 | D | 63.7 | Low | 62.5 | Low | 73 Ų | 73 | 116.7 Ų | 116.7 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | trans | -68.2 | 86.3 | -174.5 | -161.4 | -4.6 | 0 | 0 | 0 | 107.2 | S79 S83 K84 | S79-D81 PolarHBondContact O-N 2.88Å; D81-S83 PolarHBondContact O-N 3.1Å; D81-S83 PolarHBondContact OD1-OG 2.84Å; D81-K84 HydrophobicContact CB-CD 4.44Å; D81-K84 PolarHBondContact O-N 3.22Å; D81-K84 WeakPolarHBondContact OD2-CD 3.37Å; D81-K84 WeakPolarHBondContact OD2-CE 3.28Å; D81-K84 IonicContact OD2-NZ 3.75Å; D81-K84 PolarHBondContact OD2-NZ 3.37Å | ||
| 82 | T | 62.3 | Low | 64.8 | Low | 67 Ų | 67 | 119 Ų | 119 | 41% | 0.411 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | -15.2 | -171.4 | 28.9 | 0 | 0 | 0 | 0 | 112 | V80 K84 Y90 | V80-T82 PolarHBondContact O-N 3.33Å; T82-K84 VanDerWaalsContact C-N 3.34Å; T82-Y90 HydrophobicContact CG2-CD2 3.63Å; T82-Y90 HydrophobicContact CG2-CE2 3.4Å |
| 83 | S | 66.4 | Low | 66.9 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -16.9 | 172.6 | 72.1 | 0 | 0 | 0 | 0 | 114.4 | D81 | D81-S83 PolarHBondContact O-N 3.1Å; D81-S83 PolarHBondContact OD1-OG 2.84Å |
| 84 | K | 70.3 | Confident | 69.2 | Low | 165 Ų | 165 | 109.4 Ų | 109.4 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -8.7 | -177.5 | -69.3 | -178 | -178.7 | 135.4 | 0 | 114.4 | D81 T82 | D81-K84 HydrophobicContact CB-CD 4.44Å; D81-K84 PolarHBondContact O-N 3.22Å; D81-K84 WeakPolarHBondContact OD2-CD 3.37Å; D81-K84 WeakPolarHBondContact OD2-CE 3.28Å; D81-K84 IonicContact OD2-NZ 3.75Å; D81-K84 PolarHBondContact OD2-NZ 3.37Å; T82-K84 VanDerWaalsContact C-N 3.34Å |
| 85 | L | 64.1 | Low | 71.6 | Confident | 73 Ų | 73 | 108.1 Ų | 108.1 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -90.2 | 136.8 | 176.6 | -86 | 77.5 | 0 | 0 | 0 | 110.9 | V80 P89 | V80-L85 HydrophobicContact CG1-CD1 3.63Å; V80-L85 HydrophobicContact CG1-CD2 4.03Å; L85-P89 HydrophobicContact CD2-CB 4.23Å |
| 86 | T | 78.1 | Confident | 73.6 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | trans | -57 | 155.5 | 168 | 31.2 | 0 | 0 | 0 | 0 | 112.6 | G88 P89 Y90 | T86-G88 VanDerWaalsContact C-N 3.29Å; T86-G88 PolarHBondContact O-N 3.43Å; T86-G88 VanDerWaalsContact O-N 3.16Å; T86-P89 WeakPolarHBondContact O-CD 3.34Å; T86-Y90 WeakPolarHBondContact O-CB 3.38Å; T86-Y90 PolarHBondContact O-N 3.43Å | ||
| 87 | W | 80.3 | Confident | 75.7 | Confident | 213 Ų | 213 | 105.3 Ų | 105.3 | 81% | 0.807 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -52.9 | -38.1 | -175 | -176.1 | 65.4 | 0 | 0 | 0 | 114.6 | F91 | W87-F91 WeakPolarHBondContact O-CB 3.36Å; W87-F91 PolarHBondContact O-N 3.01Å |
| 88 | G | 86.4 | Confident | 77.4 | Confident | 42 Ų | 42 | 104 Ų | 104 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -61.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T86 Y90 F91 W92 | T86-G88 VanDerWaalsContact C-N 3.29Å; T86-G88 PolarHBondContact O-N 3.43Å; T86-G88 VanDerWaalsContact O-N 3.16Å; G88-Y90 VanDerWaalsContact C-N 3.26Å; G88-Y90 PolarHBondContact O-N 2.8Å; G88-F91 PolarHBondContact O-N 2.92Å; G88-F91 VanDerWaalsContact O-N 3.16Å; G88-W92 PolarHBondContact O-N 3.48Å |
| 89 | P | 84.3 | Confident | 79.2 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -35.1 | 177.3 | -27.5 | 35.6 | 0 | 0 | 0 | 113.6 | L85 T86 W92 F93 | L85-P89 HydrophobicContact CD2-CB 4.23Å; T86-P89 WeakPolarHBondContact O-CD 3.34Å; P89-W92 PolarHBondContact O-N 3.02Å; P89-F93 WeakPolarHBondContact O-CB 3.47Å; P89-F93 PolarHBondContact O-N 3.39Å |
| 90 | Y | 84.4 | Confident | 80.5 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 37% | 0.373 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 173.2 | 173.1 | -96.3 | 0 | 0 | 0 | 111.5 | T82 T86 G88 W92 H94 | T82-Y90 HydrophobicContact CG2-CD2 3.63Å; T82-Y90 HydrophobicContact CG2-CE2 3.4Å; T86-Y90 WeakPolarHBondContact O-CB 3.38Å; T86-Y90 PolarHBondContact O-N 3.43Å; G88-Y90 VanDerWaalsContact C-N 3.26Å; G88-Y90 PolarHBondContact O-N 2.8Å; Y90-W92 PolarHBondContact O-N 3.16Å; Y90-H94 AromaticContact CD2-CD2 3.68Å; Y90-H94 AromaticContact CD2-NE2 3.88Å; Y90-H94 AromaticContact CE2-CD2 3.36Å; Y90-H94 WeakPolarHBondContact CE2-CD2 3.42Å; Y90-H94 AromaticContact CE2-NE2 3.27Å; Y90-H94 VanDerWaalsContact CE2-NE2 3.27Å; Y90-H94 WeakPolarHBondContact CE2-NE2 3.5Å; Y90-H94 AromaticContact CZ-CD2 3.56Å; Y90-H94 AromaticContact CZ-NE2 3.71Å; Y90-H94 PolarHBondContact O-CD2 3.32Å; Y90-H94 VanDerWaalsContact O-CD2 3.26Å; Y90-H94 PolarHBondContact O-N 3.37Å; Y90-H94 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 89.6 | Confident | 81.5 | Confident | 113 Ų | 113 | 101 Ų | 101 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 179.7 | -175.6 | -103.4 | 0 | 0 | 0 | 111.7 | W87 G88 H94 M95 | W87-F91 WeakPolarHBondContact O-CB 3.36Å; W87-F91 PolarHBondContact O-N 3.01Å; G88-F91 PolarHBondContact O-N 2.92Å; G88-F91 VanDerWaalsContact O-N 3.16Å; F91-H94 PolarHBondContact O-N 2.87Å; F91-M95 HydrophobicContact CD1-CG 3.72Å; F91-M95 HydrophobicContact CD2-CG 4.11Å; F91-M95 HydrophobicContact CE1-CG 3.35Å; F91-M95 HydrophobicContact CE1-SD 4.14Å; F91-M95 HydrophobicContact CE2-CG 3.75Å; F91-M95 HydrophobicContact CE2-SD 3.96Å; F91-M95 HydrophobicContact CG-CG 4.1Å; F91-M95 HydrophobicContact CZ-CE 4.36Å; F91-M95 HydrophobicContact CZ-CG 3.36Å; F91-M95 HydrophobicContact CZ-SD 3.58Å; F91-M95 VanDerWaalsContact CZ-SD 3.58Å; F91-M95 VanDerWaalsContact O-CB 3.23Å; F91-M95 WeakPolarHBondContact O-CB 3.43Å; F91-M95 VanDerWaalsContact O-CG 3.23Å; F91-M95 WeakPolarHBondContact O-CG 3.19Å; F91-M95 PolarHBondContact O-N 2.96Å |
| 92 | W | 88.4 | Confident | 82.8 | Confident | 180 Ų | 180 | 100.8 Ų | 100.8 | 68% | 0.682 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -46.9 | 179 | -174.2 | -100.5 | 0 | 0 | 0 | 112.8 | G88 P89 Y90 H94 M95 W96 | G88-W92 PolarHBondContact O-N 3.48Å; P89-W92 PolarHBondContact O-N 3.02Å; Y90-W92 PolarHBondContact O-N 3.16Å; W92-H94 PolarHBondContact O-N 3.49Å; W92-M95 PolarHBondContact O-N 2.99Å; W92-W96 VanDerWaalsContact O-CB 3.29Å; W92-W96 WeakPolarHBondContact O-CB 3.41Å; W92-W96 PolarHBondContact O-N 2.88Å |
| 93 | F | 86.3 | Confident | 84.1 | Confident | 88 Ų | 88 | 102.8 Ų | 102.8 | 39% | 0.386 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.8 | 173.7 | -103.3 | 0 | 0 | 0 | 111.9 | P89 R97 | P89-F93 WeakPolarHBondContact O-CB 3.47Å; P89-F93 PolarHBondContact O-N 3.39Å; F93-R97 VanDerWaalsContact O-CB 3.31Å; F93-R97 WeakPolarHBondContact O-CB 2.99Å; F93-R97 PolarHBondContact O-N 3.39Å |
| 94 | H | 88.1 | Confident | 85.1 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 29% | 0.287 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 178.5 | -81.4 | -72.3 | 0 | 0 | 0 | 112.3 | Y90 F91 W92 R97 V98 | Y90-H94 AromaticContact CD2-CD2 3.68Å; Y90-H94 AromaticContact CD2-NE2 3.88Å; Y90-H94 AromaticContact CE2-CD2 3.36Å; Y90-H94 WeakPolarHBondContact CE2-CD2 3.42Å; Y90-H94 AromaticContact CE2-NE2 3.27Å; Y90-H94 VanDerWaalsContact CE2-NE2 3.27Å; Y90-H94 WeakPolarHBondContact CE2-NE2 3.5Å; Y90-H94 AromaticContact CZ-CD2 3.56Å; Y90-H94 AromaticContact CZ-NE2 3.71Å; Y90-H94 PolarHBondContact O-CD2 3.32Å; Y90-H94 VanDerWaalsContact O-CD2 3.26Å; Y90-H94 PolarHBondContact O-N 3.37Å; Y90-H94 VanDerWaalsContact O-N 3.14Å; F91-H94 PolarHBondContact O-N 2.87Å; W92-H94 PolarHBondContact O-N 3.49Å; H94-R97 PolarHBondContact O-N 2.86Å; H94-V98 WeakPolarHBondContact O-CB 3.29Å; H94-V98 VanDerWaalsContact O-CG2 3.23Å; H94-V98 WeakPolarHBondContact O-CG2 3.42Å; H94-V98 PolarHBondContact O-N 3.33Å |
| 95 | M | 91.7 | Very high | 86.2 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.1 | -79.8 | -61.3 | -68.1 | 0 | 0 | 111.5 | F91 W92 V98 A99 | F91-M95 HydrophobicContact CD1-CG 3.72Å; F91-M95 HydrophobicContact CD2-CG 4.11Å; F91-M95 HydrophobicContact CE1-CG 3.35Å; F91-M95 HydrophobicContact CE1-SD 4.14Å; F91-M95 HydrophobicContact CE2-CG 3.75Å; F91-M95 HydrophobicContact CE2-SD 3.96Å; F91-M95 HydrophobicContact CG-CG 4.1Å; F91-M95 HydrophobicContact CZ-CE 4.36Å; F91-M95 HydrophobicContact CZ-CG 3.36Å; F91-M95 HydrophobicContact CZ-SD 3.58Å; F91-M95 VanDerWaalsContact CZ-SD 3.58Å; F91-M95 VanDerWaalsContact O-CB 3.23Å; F91-M95 WeakPolarHBondContact O-CB 3.43Å; F91-M95 VanDerWaalsContact O-CG 3.23Å; F91-M95 WeakPolarHBondContact O-CG 3.19Å; F91-M95 PolarHBondContact O-N 2.96Å; W92-M95 PolarHBondContact O-N 2.99Å; M95-V98 PolarHBondContact O-N 3.11Å; M95-A99 WeakPolarHBondContact O-CB 3.39Å; M95-A99 PolarHBondContact O-N 3.09Å |
| 96 | W | 87.8 | Confident | 87.5 | Confident | 171 Ų | 171 | 98.4 Ų | 98.4 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 177 | -175.6 | -97.6 | 0 | 0 | 0 | 111.8 | W92 T100 | W92-W96 VanDerWaalsContact O-CB 3.29Å; W92-W96 WeakPolarHBondContact O-CB 3.41Å; W92-W96 PolarHBondContact O-N 2.88Å; W96-T100 WeakPolarHBondContact O-CB 3.42Å; W96-T100 VanDerWaalsContact O-CG2 3.31Å; W96-T100 WeakPolarHBondContact O-CG2 3.45Å; W96-T100 PolarHBondContact O-N 3.02Å; W96-T100 PolarHBondContact O-OG1 3.37Å |
| 97 | R | 87.6 | Confident | 88 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 178.7 | -173 | -178 | 173.5 | 89.2 | 2.7 | 112.2 | F93 H94 T100 S101 | F93-R97 VanDerWaalsContact O-CB 3.31Å; F93-R97 WeakPolarHBondContact O-CB 2.99Å; F93-R97 PolarHBondContact O-N 3.39Å; H94-R97 PolarHBondContact O-N 2.86Å; R97-T100 PolarHBondContact O-OG1 2.97Å; R97-S101 VanDerWaalsContact O-CB 3.29Å; R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.42Å; R97-S101 VanDerWaalsContact O-N 3.09Å; R97-S101 PolarHBondContact O-OG 2.92Å |
| 98 | V | 90.6 | Very high | 88.6 | Confident | 79 Ų | 79 | 94.4 Ų | 94.4 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -48.8 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | H94 M95 T100 S101 T102 | H94-V98 WeakPolarHBondContact O-CB 3.29Å; H94-V98 VanDerWaalsContact O-CG2 3.23Å; H94-V98 WeakPolarHBondContact O-CG2 3.42Å; H94-V98 PolarHBondContact O-N 3.33Å; M95-V98 PolarHBondContact O-N 3.11Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 PolarHBondContact O-N 3.3Å; V98-S101 CarbonylContact O-C 3.59Å; V98-S101 WeakPolarHBondContact O-CA 3.42Å; V98-S101 PolarHBondContact O-N 3.44Å; V98-T102 HydrophobicContact CG1-CG2 4.42Å; V98-T102 PolarHBondContact O-N 3.47Å; V98-T102 PolarHBondContact O-OG1 3.21Å |
| 99 | A | 90.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 97.5 Ų | 97.5 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.6 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M95 I103 | M95-A99 WeakPolarHBondContact O-CB 3.39Å; M95-A99 PolarHBondContact O-N 3.09Å; A99-I103 PolarHBondContact O-N 3Å |
| 100 | T | 85.2 | Confident | 89.4 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.7 | -30.5 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | W96 R97 V98 | W96-T100 WeakPolarHBondContact O-CB 3.42Å; W96-T100 VanDerWaalsContact O-CG2 3.31Å; W96-T100 WeakPolarHBondContact O-CG2 3.45Å; W96-T100 PolarHBondContact O-N 3.02Å; W96-T100 PolarHBondContact O-OG1 3.37Å; R97-T100 PolarHBondContact O-OG1 2.97Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 PolarHBondContact O-N 3.3Å |
| 101 | S | 84.6 | Confident | 89.7 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81 | -32.5 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | R97 V98 | R97-S101 VanDerWaalsContact O-CB 3.29Å; R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.42Å; R97-S101 VanDerWaalsContact O-N 3.09Å; R97-S101 PolarHBondContact O-OG 2.92Å; V98-S101 CarbonylContact O-C 3.59Å; V98-S101 WeakPolarHBondContact O-CA 3.42Å; V98-S101 PolarHBondContact O-N 3.44Å |
| 102 | T | 91.9 | Very high | 89.8 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -99.9 | 4.2 | -175 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | V98 S104 V105 C106 | V98-T102 HydrophobicContact CG1-CG2 4.42Å; V98-T102 PolarHBondContact O-N 3.47Å; V98-T102 PolarHBondContact O-OG1 3.21Å; T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 3.37Å; T102-V105 PolarHBondContact O-N 2.92Å; T102-C106 WeakPolarHBondContact O-CB 3.17Å; T102-C106 PolarHBondContact O-N 3.31Å |
| 103 | I | 89.8 | Confident | 90.1 | Very high | 108 Ų | 108 | 92 Ų | 92 | 55% | 0.554 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.3 | -41.6 | -176.6 | -158.5 | 149.5 | 0 | 0 | 0 | 112.4 | A99 V105 C106 D107 | A99-I103 PolarHBondContact O-N 3Å; I103-V105 PolarHBondContact O-N 3.15Å; I103-C106 WeakPolarHBondContact O-CB 3.28Å; I103-C106 PolarHBondContact O-N 3.15Å; I103-D107 VanDerWaalsContact O-CG 3.3Å; I103-D107 PolarHBondContact O-N 3.25Å |
| 104 | S | 88.1 | Confident | 90.4 | Very high | 76 Ų | 76 | 88.9 Ų | 88.9 | 53% | 0.531 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | 178.3 | 57 | 0 | 0 | 0 | 0 | 113.7 | T102 C106 D107 Y108 | T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 3.37Å; S104-C106 VanDerWaalsContact C-N 3.34Å; S104-D107 PolarHBondContact O-N 3.32Å; S104-Y108 PolarHBondContact O-N 3.03Å; S104-Y108 VanDerWaalsContact O-N 3.15Å |
| 105 | V | 92.9 | Very high | 90.4 | Very high | 86 Ų | 86 | 89.2 Ų | 89.2 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | T102 I103 D107 Y108 M109 | T102-V105 PolarHBondContact O-N 2.92Å; I103-V105 PolarHBondContact O-N 3.15Å; V105-D107 VanDerWaalsContact C-N 3.33Å; V105-Y108 PolarHBondContact O-N 2.91Å; V105-M109 WeakPolarHBondContact O-CB 3.26Å; V105-M109 PolarHBondContact O-N 3.4Å |
| 106 | C | 90.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 91.6 Ų | 91.6 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | T102 I103 S104 M109 G110 | T102-C106 WeakPolarHBondContact O-CB 3.17Å; T102-C106 PolarHBondContact O-N 3.31Å; I103-C106 WeakPolarHBondContact O-CB 3.28Å; I103-C106 PolarHBondContact O-N 3.15Å; S104-C106 VanDerWaalsContact C-N 3.34Å; C106-M109 PolarHBondContact O-N 3.38Å; C106-G110 WeakPolarHBondContact O-CA 3.46Å; C106-G110 PolarHBondContact O-N 3.13Å |
| 107 | D | 89.8 | Confident | 90.4 | Very high | 105 Ų | 105 | 91.1 Ų | 91.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 175 | -66 | -28.2 | 0 | 0 | 0 | 111.7 | I103 S104 V105 M109 G110 E111 | I103-D107 VanDerWaalsContact O-CG 3.3Å; I103-D107 PolarHBondContact O-N 3.25Å; S104-D107 PolarHBondContact O-N 3.32Å; V105-D107 VanDerWaalsContact C-N 3.33Å; D107-M109 PolarHBondContact O-N 3.25Å; D107-G110 PolarHBondContact O-N 2.9Å; D107-E111 WeakPolarHBondContact O-CB 3.3Å; D107-E111 PolarHBondContact O-N 3.4Å |
| 108 | Y | 92.3 | Very high | 90.4 | Very high | 134 Ų | 134 | 87 Ų | 87 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.4 | 177.6 | -99 | 0 | 0 | 0 | 112.3 | S104 V105 G110 E111 K112 | S104-Y108 PolarHBondContact O-N 3.03Å; S104-Y108 VanDerWaalsContact O-N 3.15Å; V105-Y108 PolarHBondContact O-N 2.91Å; Y108-G110 VanDerWaalsContact C-N 3.31Å; Y108-E111 PolarHBondContact O-N 3.13Å; Y108-K112 HydrophobicContact CD1-CG 4.42Å; Y108-K112 HydrophobicContact CE1-CG 4.02Å; Y108-K112 HydrophobicContact CE2-CG 4.48Å; Y108-K112 WeakPolarHBondContact O-CG 3.23Å; Y108-K112 PolarHBondContact O-N 2.95Å; Y108-K112 VanDerWaalsContact OH-CE 3.23Å; Y108-K112 WeakPolarHBondContact OH-CE 3.47Å |
| 109 | M | 92.1 | Very high | 90.3 | Very high | 106 Ų | 106 | 89.7 Ų | 89.7 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.4 | -162.8 | 68.3 | 71.9 | 0 | 0 | 110.8 | V105 C106 D107 K112 L113 | V105-M109 WeakPolarHBondContact O-CB 3.26Å; V105-M109 PolarHBondContact O-N 3.4Å; C106-M109 PolarHBondContact O-N 3.38Å; D107-M109 PolarHBondContact O-N 3.25Å; M109-K112 PolarHBondContact O-N 3.24Å; M109-L113 HydrophobicContact CG-CD1 4.25Å; M109-L113 WeakPolarHBondContact O-CB 3.46Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.38Å |
| 110 | G | 94.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 91 Ų | 91 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C106 D107 Y108 L113 A114 | C106-G110 WeakPolarHBondContact O-CA 3.46Å; C106-G110 PolarHBondContact O-N 3.13Å; D107-G110 PolarHBondContact O-N 2.9Å; Y108-G110 VanDerWaalsContact C-N 3.31Å; G110-L113 PolarHBondContact O-N 3.48Å; G110-A114 WeakPolarHBondContact O-CB 3.27Å; G110-A114 PolarHBondContact O-N 3.44Å |
| 111 | E | 91.6 | Very high | 90.2 | Very high | 126 Ų | 126 | 91.4 Ų | 91.4 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 174.2 | -171.8 | -172.6 | 158.2 | 0 | 0 | 111.3 | D107 Y108 A114 S115 | D107-E111 WeakPolarHBondContact O-CB 3.3Å; D107-E111 PolarHBondContact O-N 3.4Å; Y108-E111 PolarHBondContact O-N 3.13Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-S115 VanDerWaalsContact O-CB 3.27Å; E111-S115 WeakPolarHBondContact O-CB 3.43Å; E111-S115 PolarHBondContact O-N 3.19Å |
| 112 | K | 92.6 | Very high | 90.1 | Very high | 98 Ų | 98 | 91.7 Ų | 91.7 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.6 | -70.5 | -61 | -177.9 | -169.8 | 0 | 112.3 | Y108 M109 S115 L116 | Y108-K112 HydrophobicContact CD1-CG 4.42Å; Y108-K112 HydrophobicContact CE1-CG 4.02Å; Y108-K112 HydrophobicContact CE2-CG 4.48Å; Y108-K112 WeakPolarHBondContact O-CG 3.23Å; Y108-K112 PolarHBondContact O-N 2.95Å; Y108-K112 VanDerWaalsContact OH-CE 3.23Å; Y108-K112 WeakPolarHBondContact OH-CE 3.47Å; M109-K112 PolarHBondContact O-N 3.24Å; K112-S115 PolarHBondContact O-N 2.92Å; K112-L116 WeakPolarHBondContact O-CB 3.2Å; K112-L116 VanDerWaalsContact O-CG 3.26Å; K112-L116 WeakPolarHBondContact O-CG 3.39Å; K112-L116 PolarHBondContact O-N 3.26Å |
| 113 | L | 93.7 | Very high | 89.7 | Confident | 83 Ų | 83 | 96.6 Ų | 96.6 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.2 | -70.2 | 171 | 0 | 0 | 0 | 111.1 | M109 G110 S115 L116 F117 | M109-L113 HydrophobicContact CG-CD1 4.25Å; M109-L113 WeakPolarHBondContact O-CB 3.46Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.38Å; G110-L113 PolarHBondContact O-N 3.48Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 3.13Å; L113-L116 HydrophobicContact CD2-CD1 4.41Å; L113-L116 PolarHBondContact O-N 3.23Å; L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 3.14Å |
| 114 | A | 93.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 99.1 Ų | 99.1 | 20% | 0.198 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64.1 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G110 E111 G118 I119 T120 | G110-A114 WeakPolarHBondContact O-CB 3.27Å; G110-A114 PolarHBondContact O-N 3.44Å; E111-A114 PolarHBondContact O-N 3.3Å; A114-G118 PolarHBondContact O-N 3.3Å; A114-I119 PolarHBondContact O-N 3.05Å; A114-T120 HydrophobicContact CB-CG2 3.64Å; A114-T120 PolarHBondContact O-N 3.21Å; A114-T120 PolarHBondContact O-OG1 3.35Å |
| 115 | S | 87.6 | Confident | 89.4 | Confident | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.9 | -41.9 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | E111 K112 L113 F117 G118 T120 | E111-S115 VanDerWaalsContact O-CB 3.27Å; E111-S115 WeakPolarHBondContact O-CB 3.43Å; E111-S115 PolarHBondContact O-N 3.19Å; K112-S115 PolarHBondContact O-N 2.92Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 3.13Å; S115-F117 PolarHBondContact O-N 3.5Å; S115-G118 WeakPolarHBondContact O-CA 3.2Å; S115-G118 PolarHBondContact O-N 2.82Å; S115-T120 WeakPolarHBondContact CA-OG1 3.11Å; S115-T120 PolarHBondContact N-OG1 2.84Å |
| 116 | L | 89.9 | Confident | 89 | Confident | 142 Ų | 142 | 103.4 Ų | 103.4 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 176.3 | -75.6 | 171.1 | 0 | 0 | 0 | 112.5 | K112 L113 G118 | K112-L116 WeakPolarHBondContact O-CB 3.2Å; K112-L116 VanDerWaalsContact O-CG 3.26Å; K112-L116 WeakPolarHBondContact O-CG 3.39Å; K112-L116 PolarHBondContact O-N 3.26Å; L113-L116 HydrophobicContact CD2-CD1 4.41Å; L113-L116 PolarHBondContact O-N 3.23Å; L116-G118 PolarHBondContact O-N 2.97Å |
| 117 | F | 89.9 | Confident | 88.8 | Confident | 161 Ų | 161 | 102.1 Ų | 102.1 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1 | 172.4 | -69.9 | -65.8 | 0 | 0 | 0 | 113.1 | L113 S115 I119 | L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 3.14Å; S115-F117 PolarHBondContact O-N 3.5Å; F117-I119 HydrophobicContact CB-CD1 3.86Å; F117-I119 HydrophobicContact CB-CG1 3.91Å; F117-I119 PolarHBondContact O-N 2.92Å; F117-I119 VanDerWaalsContact O-N 3.14Å |
| 118 | G | 87.2 | Confident | 88.7 | Confident | 38 Ų | 38 | 100.8 Ų | 100.8 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 9.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A114 S115 L116 T120 S121 | A114-G118 PolarHBondContact O-N 3.3Å; S115-G118 WeakPolarHBondContact O-CA 3.2Å; S115-G118 PolarHBondContact O-N 2.82Å; L116-G118 PolarHBondContact O-N 2.97Å; G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.79Å; G118-S121 VanDerWaalsContact O-CB 3.3Å; G118-S121 WeakPolarHBondContact O-CB 3.34Å; G118-S121 PolarHBondContact O-N 3.37Å |
| 119 | I | 88.9 | Confident | 88.8 | Confident | 135 Ų | 135 | 98.7 Ų | 98.7 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.6 | -177.1 | -61.7 | 172 | 0 | 0 | 0 | 110.4 | A114 F117 | A114-I119 PolarHBondContact O-N 3.05Å; F117-I119 HydrophobicContact CB-CD1 3.86Å; F117-I119 HydrophobicContact CB-CG1 3.91Å; F117-I119 PolarHBondContact O-N 2.92Å; F117-I119 VanDerWaalsContact O-N 3.14Å |
| 120 | T | 87.9 | Confident | 88.7 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.7 | 177.3 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | A114 S115 G118 | A114-T120 HydrophobicContact CB-CG2 3.64Å; A114-T120 PolarHBondContact O-N 3.21Å; A114-T120 PolarHBondContact O-OG1 3.35Å; S115-T120 WeakPolarHBondContact CA-OG1 3.11Å; S115-T120 PolarHBondContact N-OG1 2.84Å; G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.79Å |
| 121 | S | 85.1 | Confident | 88.5 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -71.5 | 132.2 | -178.3 | -155.1 | 0 | 0 | 0 | 0 | 111.1 | G118 K123 | G118-S121 VanDerWaalsContact O-CB 3.3Å; G118-S121 WeakPolarHBondContact O-CB 3.34Å; G118-S121 PolarHBondContact O-N 3.37Å; S121-K123 PolarHBondContact O-N 3.37Å |
| 122 | P | 83.7 | Confident | 88.5 | Confident | 83 Ų | 83 | 102.7 Ų | 102.7 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | trans | -69.2 | 114.7 | -176.2 | 26.1 | -33 | 0 | 0 | 0 | 111.7 | Y124 Q125 | P122-Y124 VanDerWaalsContact C-N 3.32Å; P122-Y124 PolarHBondContact O-N 3.37Å; P122-Q125 HydrophobicContact CB-CB 4.09Å; P122-Q125 HydrophobicContact CG-CB 3.89Å; P122-Q125 HydrophobicContact CG-CG 4.38Å | ||
| 123 | K | 83.3 | Confident | 88.5 | Confident | 171 Ų | 171 | 105.1 Ų | 105.1 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.4 | -173.7 | -176.6 | 172.4 | 175 | 168.2 | 0 | 115.2 | S121 | S121-K123 PolarHBondContact O-N 3.37Š|
| 124 | Y | 86.3 | Confident | 88.4 | Confident | 161 Ų | 161 | 106.2 Ų | 106.2 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 10.9 | -172.3 | -58.1 | -67 | 0 | 0 | 0 | 114 | P122 Y126 A127 I128 | P122-Y124 VanDerWaalsContact C-N 3.32Å; P122-Y124 PolarHBondContact O-N 3.37Å; Y124-Y126 PolarHBondContact O-N 3.35Å; Y124-A127 PolarHBondContact O-N 3.34Å; Y124-I128 PolarHBondContact O-N 3.49Å |
| 125 | Q | 84.1 | Confident | 88.5 | Confident | 77 Ų | 77 | 109.9 Ų | 109.9 | 36% | 0.36 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.4 | -33.8 | -178.4 | -166.9 | 59.6 | 43 | 0 | 0 | 112 | P122 A127 I128 D129 | P122-Q125 HydrophobicContact CB-CB 4.09Å; P122-Q125 HydrophobicContact CG-CB 3.89Å; P122-Q125 HydrophobicContact CG-CG 4.38Å; Q125-A127 VanDerWaalsContact C-N 3.3Å; Q125-A127 PolarHBondContact O-N 2.83Å; Q125-I128 WeakPolarHBondContact O-CB 3.43Å; Q125-I128 PolarHBondContact O-N 3.42Å; Q125-I128 VanDerWaalsContact O-N 3.13Å; Q125-D129 PolarHBondContact NE2-OD1 2.75Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.2Å |
| 126 | Y | 84.6 | Confident | 88.7 | Confident | 176 Ų | 176 | 112.5 Ų | 112.5 | 69% | 0.69 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.1 | -43 | 174 | 176 | -96 | 0 | 0 | 0 | 113.4 | Y124 I128 D129 E130 | Y124-Y126 PolarHBondContact O-N 3.35Å; Y126-I128 VanDerWaalsContact C-N 3.31Å; Y126-I128 PolarHBondContact O-N 2.93Å; Y126-D129 PolarHBondContact O-N 3.18Å; Y126-E130 WeakPolarHBondContact O-CB 3.33Å; Y126-E130 PolarHBondContact O-N 3.24Å |
| 127 | A | 87.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 110.3 Ų | 110.3 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -32.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y124 Q125 Y131 | Y124-A127 PolarHBondContact O-N 3.34Å; Q125-A127 VanDerWaalsContact C-N 3.3Å; Q125-A127 PolarHBondContact O-N 2.83Å; A127-Y131 PolarHBondContact O-N 3.47Å |
| 128 | I | 87.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -48.5 | 175.2 | -63 | 169.5 | 0 | 0 | 0 | 109 | Y124 Q125 Y126 E130 Y131 Y132 | Y124-I128 PolarHBondContact O-N 3.49Å; Q125-I128 WeakPolarHBondContact O-CB 3.43Å; Q125-I128 PolarHBondContact O-N 3.42Å; Q125-I128 VanDerWaalsContact O-N 3.13Å; Y126-I128 VanDerWaalsContact C-N 3.31Å; Y126-I128 PolarHBondContact O-N 2.93Å; I128-E130 VanDerWaalsContact C-N 3.32Å; I128-E130 PolarHBondContact O-N 2.95Å; I128-Y131 WeakPolarHBondContact O-CB 3.48Å; I128-Y131 PolarHBondContact O-N 2.98Å; I128-Y132 HydrophobicContact CG2-CD2 3.82Å; I128-Y132 HydrophobicContact CG2-CE2 3.62Å; I128-Y132 WeakPolarHBondContact O-CD2 3.29Å; I128-Y132 PolarHBondContact O-N 3.39Å; I128-Y132 VanDerWaalsContact O-N 3.13Å |
| 129 | D | 92.8 | Very high | 89.1 | Confident | 89 Ų | 89 | 111.8 Ų | 111.8 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | -178.3 | -64.9 | -3.3 | 0 | 0 | 0 | 111.8 | Q125 Y126 Y132 R133 | Q125-D129 PolarHBondContact NE2-OD1 2.75Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.2Å; Y126-D129 PolarHBondContact O-N 3.18Å; D129-Y132 PolarHBondContact O-N 3.41Å; D129-R133 WeakPolarHBondContact O-CB 3.48Å; D129-R133 PolarHBondContact O-N 3.15Å |
| 130 | E | 89.6 | Confident | 89.2 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.4 | -171.4 | -166.5 | -164.7 | 0 | 0 | 112.1 | Y126 I128 Y132 R133 M134 | Y126-E130 WeakPolarHBondContact O-CB 3.33Å; Y126-E130 PolarHBondContact O-N 3.24Å; I128-E130 VanDerWaalsContact C-N 3.32Å; I128-E130 PolarHBondContact O-N 2.95Å; E130-Y132 VanDerWaalsContact C-N 3.28Å; E130-Y132 PolarHBondContact O-N 3.4Å; E130-R133 WeakPolarHBondContact O-CB 3.23Å; E130-R133 PolarHBondContact O-N 2.8Å; E130-R133 VanDerWaalsContact O-N 3.13Å; E130-M134 PolarHBondContact O-N 2.82Å |
| 131 | Y | 90.3 | Very high | 89.4 | Confident | 122 Ų | 122 | 112.3 Ų | 112.3 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 176.3 | 170.5 | -97.2 | 0 | 0 | 0 | 111.1 | A127 I128 K135 | A127-Y131 PolarHBondContact O-N 3.47Å; I128-Y131 WeakPolarHBondContact O-CB 3.48Å; I128-Y131 PolarHBondContact O-N 2.98Å; Y131-K135 HydrophobicContact CE1-CD 4.23Å; Y131-K135 VanDerWaalsContact O-CB 3.28Å; Y131-K135 WeakPolarHBondContact O-CB 3.33Å; Y131-K135 PolarHBondContact O-N 2.9Å |
| 132 | Y | 92.1 | Very high | 89.7 | Confident | 148 Ų | 148 | 114 Ų | 114 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.8 | -34.9 | 177.1 | -77.7 | -71.8 | 0 | 0 | 0 | 112.9 | I128 D129 E130 K136 | I128-Y132 HydrophobicContact CG2-CD2 3.82Å; I128-Y132 HydrophobicContact CG2-CE2 3.62Å; I128-Y132 WeakPolarHBondContact O-CD2 3.29Å; I128-Y132 PolarHBondContact O-N 3.39Å; I128-Y132 VanDerWaalsContact O-N 3.13Å; D129-Y132 PolarHBondContact O-N 3.41Å; E130-Y132 VanDerWaalsContact C-N 3.28Å; E130-Y132 PolarHBondContact O-N 3.4Å; Y132-K136 WeakPolarHBondContact O-CB 3.4Å; Y132-K136 PolarHBondContact O-N 3.39Å; Y132-K136 VanDerWaalsContact O-N 3.15Å |
| 133 | R | 93.8 | Very high | 90.1 | Very high | 149 Ų | 149 | 115.7 Ų | 115.7 | 56% | 0.562 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -49.8 | 175.6 | -176.6 | -176.2 | 68.6 | 102.6 | 0.7 | 111.7 | D129 E130 K136 E137 | D129-R133 WeakPolarHBondContact O-CB 3.48Å; D129-R133 PolarHBondContact O-N 3.15Å; E130-R133 WeakPolarHBondContact O-CB 3.23Å; E130-R133 PolarHBondContact O-N 2.8Å; E130-R133 VanDerWaalsContact O-N 3.13Å; R133-K136 PolarHBondContact O-N 3.17Å; R133-E137 PolarHBondContact O-N 3.48Å; R133-E137 VanDerWaalsContact O-N 3.15Å |
| 134 | M | 91.3 | Very high | 90.4 | Very high | 107 Ų | 107 | 114.2 Ų | 114.2 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -179.5 | -175.5 | 174.7 | 67.2 | 0 | 0 | 111.6 | E130 K136 E137 E138 | E130-M134 PolarHBondContact O-N 2.82Å; M134-K136 PolarHBondContact O-N 3.26Å; M134-E137 PolarHBondContact O-N 3.42Å; M134-E138 PolarHBondContact O-N 2.85Å |
| 135 | K | 94.3 | Very high | 90.6 | Very high | 101 Ų | 101 | 111.1 Ų | 111.1 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 177.1 | -175.4 | 173.8 | -177 | 175.5 | 0 | 112.7 | Y131 E139 | Y131-K135 HydrophobicContact CE1-CD 4.23Å; Y131-K135 VanDerWaalsContact O-CB 3.28Å; Y131-K135 WeakPolarHBondContact O-CB 3.33Å; Y131-K135 PolarHBondContact O-N 2.9Å; K135-E139 PolarHBondContact O-N 2.67Å |
| 136 | K | 93.4 | Very high | 91.1 | Very high | 124 Ų | 124 | 114.8 Ų | 114.8 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 178.1 | -175.6 | -179.7 | 172.4 | -165.6 | 0 | 111.8 | Y132 R133 M134 E139 E140 | Y132-K136 WeakPolarHBondContact O-CB 3.4Å; Y132-K136 PolarHBondContact O-N 3.39Å; Y132-K136 VanDerWaalsContact O-N 3.15Å; R133-K136 PolarHBondContact O-N 3.17Å; M134-K136 PolarHBondContact O-N 3.26Å; K136-E139 PolarHBondContact O-N 2.94Å; K136-E140 WeakPolarHBondContact CE-OE1 3.46Å; K136-E140 IonicContact NZ-OE1 3.97Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3.41Å |
| 137 | E | 90.4 | Very high | 91.5 | Very high | 96 Ų | 96 | 112.2 Ų | 112.2 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 177 | -173.9 | 170.9 | -163.4 | 0 | 0 | 111.5 | R133 M134 E139 E140 E141 | R133-E137 PolarHBondContact O-N 3.48Å; R133-E137 VanDerWaalsContact O-N 3.15Å; M134-E137 PolarHBondContact O-N 3.42Å; E137-E139 PolarHBondContact O-N 3.31Å; E137-E140 PolarHBondContact O-N 3.34Å; E137-E141 PolarHBondContact O-N 2.93Å |
| 138 | E | 91.7 | Very high | 91.6 | Very high | 114 Ų | 114 | 112 Ų | 112 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.8 | -175.5 | 175.2 | -148.4 | 0 | 0 | 112.2 | M134 E141 E142 | M134-E138 PolarHBondContact O-N 2.85Å; E138-E141 PolarHBondContact O-N 3.09Å; E138-E142 WeakPolarHBondContact O-CG 3.08Å; E138-E142 PolarHBondContact O-N 2.98Å |
| 139 | E | 92.8 | Very high | 91.8 | Very high | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 176.9 | -170.8 | 171.1 | -158.5 | 0 | 0 | 112 | K135 K136 E137 E142 E143 | K135-E139 PolarHBondContact O-N 2.67Å; K136-E139 PolarHBondContact O-N 2.94Å; E137-E139 PolarHBondContact O-N 3.31Å; E139-E142 PolarHBondContact O-N 2.8Å; E139-E143 WeakPolarHBondContact O-CG 3.27Å; E139-E143 PolarHBondContact O-N 3.25Å |
| 140 | E | 91.4 | Very high | 91.8 | Very high | 105 Ų | 105 | 112 Ų | 112 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.7 | -73.8 | 177.4 | -180 | 0 | 0 | 112 | K136 E137 E143 E144 | K136-E140 WeakPolarHBondContact CE-OE1 3.46Å; K136-E140 IonicContact NZ-OE1 3.97Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3.41Å; E137-E140 PolarHBondContact O-N 3.34Å; E140-E143 PolarHBondContact O-N 2.82Å; E140-E144 WeakPolarHBondContact O-CB 3.36Å; E140-E144 PolarHBondContact O-N 3.02Å |
| 141 | E | 90.4 | Very high | 91.9 | Very high | 123 Ų | 123 | 110.6 Ų | 110.6 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 174.7 | -76.6 | -172.7 | 174.2 | 0 | 0 | 111.9 | E137 E138 E144 N145 | E137-E141 PolarHBondContact O-N 2.93Å; E138-E141 PolarHBondContact O-N 3.09Å; E141-E144 PolarHBondContact O-N 3.1Å; E141-N145 WeakPolarHBondContact O-CB 3.4Å; E141-N145 PolarHBondContact O-N 2.9Å |
| 142 | E | 91.6 | Very high | 91.8 | Very high | 120 Ų | 120 | 111.5 Ų | 111.5 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 175 | -76.9 | -173.4 | 178.3 | 0 | 0 | 112.1 | E138 E139 R146 | E138-E142 WeakPolarHBondContact O-CG 3.08Å; E138-E142 PolarHBondContact O-N 2.98Å; E139-E142 PolarHBondContact O-N 2.8Å; E142-R146 WeakPolarHBondContact O-CB 3.23Å; E142-R146 VanDerWaalsContact O-CG 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.36Å; E142-R146 PolarHBondContact O-N 2.76Å |
| 143 | E | 92.6 | Very high | 91.7 | Very high | 117 Ų | 117 | 113 Ų | 113 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 175.7 | -74.8 | -169.7 | 168.2 | 0 | 0 | 112.4 | E139 E140 R146 L147 | E139-E143 WeakPolarHBondContact O-CG 3.27Å; E139-E143 PolarHBondContact O-N 3.25Å; E140-E143 PolarHBondContact O-N 2.82Å; E143-R146 PolarHBondContact O-N 3.04Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 3.26Å |
| 144 | E | 90 | Very high | 91.5 | Very high | 141 Ų | 141 | 110.5 Ų | 110.5 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 175.2 | -176.6 | 177.4 | -174.1 | 0 | 0 | 110.7 | E140 E141 R146 L147 A148 | E140-E144 WeakPolarHBondContact O-CB 3.36Å; E140-E144 PolarHBondContact O-N 3.02Å; E141-E144 PolarHBondContact O-N 3.1Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 2.69Å; E144-L147 PolarHBondContact O-N 2.57Å; E144-L147 VanDerWaalsContact O-N 3.16Å; E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 3.28Å |
| 145 | N | 90.5 | Very high | 91.3 | Very high | 96 Ų | 96 | 111.5 Ų | 111.5 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.9 | -175 | 55.7 | 0 | 0 | 0 | 111.5 | E141 L147 A148 D149 | E141-N145 WeakPolarHBondContact O-CB 3.4Å; E141-N145 PolarHBondContact O-N 2.9Å; N145-L147 PolarHBondContact O-N 3.16Å; N145-A148 PolarHBondContact O-N 3.38Å; N145-D149 WeakPolarHBondContact O-CB 3.42Å; N145-D149 PolarHBondContact O-N 2.79Å |
| 146 | R | 93.4 | Very high | 91.1 | Very high | 153 Ų | 153 | 109.4 Ų | 109.4 | 58% | 0.577 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 173.2 | -79.9 | 179.4 | 60.6 | -145.5 | -11 | 112.3 | E142 E143 E144 E150 | E142-R146 WeakPolarHBondContact O-CB 3.23Å; E142-R146 VanDerWaalsContact O-CG 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.36Å; E142-R146 PolarHBondContact O-N 2.76Å; E143-R146 PolarHBondContact O-N 3.04Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 2.69Å; R146-E150 WeakPolarHBondContact O-CG 3.23Å; R146-E150 PolarHBondContact O-N 3.46Å |
| 147 | L | 93.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 106.7 Ų | 106.7 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.6 | -39.1 | 178.8 | -166 | 75.9 | 0 | 0 | 0 | 111.5 | E143 E144 N145 E150 A151 | E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 PolarHBondContact O-N 3.26Å; E144-L147 PolarHBondContact O-N 2.57Å; E144-L147 VanDerWaalsContact O-N 3.16Å; N145-L147 PolarHBondContact O-N 3.16Å; L147-E150 PolarHBondContact O-N 3.5Å; L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 3.14Å |
| 148 | A | 90.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 107.6 Ų | 107.6 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E144 N145 E150 A151 E152 | E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 3.28Å; N145-A148 PolarHBondContact O-N 3.38Å; A148-E150 VanDerWaalsContact C-N 3.32Å; A148-E150 PolarHBondContact O-N 3.39Å; A148-A151 PolarHBondContact O-N 2.79Å; A148-E152 PolarHBondContact O-N 2.73Å |
| 149 | D | 92.3 | Very high | 90 | Very high | 65 Ų | 65 | 110 Ų | 110 | 35% | 0.348 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 173.9 | -82.1 | -14.6 | 0 | 0 | 0 | 111.7 | N145 R153 | N145-D149 WeakPolarHBondContact O-CB 3.42Å; N145-D149 PolarHBondContact O-N 2.79Å; D149-R153 VanDerWaalsContact O-CG 3.28Å; D149-R153 WeakPolarHBondContact O-CG 3.43Å; D149-R153 PolarHBondContact O-N 2.97Å; D149-R153 VanDerWaalsContact O-N 3.1Å |
| 150 | E | 92.2 | Very high | 89.3 | Confident | 100 Ų | 100 | 114 Ų | 114 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -44.4 | 175.1 | -75.4 | 178.3 | -163.5 | 0 | 0 | 111.5 | R146 L147 A148 R153 T154 | R146-E150 WeakPolarHBondContact O-CG 3.23Å; R146-E150 PolarHBondContact O-N 3.46Å; L147-E150 PolarHBondContact O-N 3.5Å; A148-E150 VanDerWaalsContact C-N 3.32Å; A148-E150 PolarHBondContact O-N 3.39Å; E150-R153 PolarHBondContact O-N 2.68Å; E150-T154 WeakPolarHBondContact O-CG2 3.38Å; E150-T154 PolarHBondContact O-N 2.86Å |
| 151 | A | 91.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 110.4 Ų | 110.4 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L147 A148 R153 T154 F155 | L147-A151 WeakPolarHBondContact O-CB 3.31Å; L147-A151 PolarHBondContact O-N 3.14Å; A148-A151 PolarHBondContact O-N 2.79Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-R153 PolarHBondContact O-N 3.45Å; A151-T154 PolarHBondContact O-N 2.76Å; A151-T154 PolarHBondContact O-OG1 3.16Å; A151-F155 WeakPolarHBondContact O-CB 3.25Å; A151-F155 PolarHBondContact O-N 3.04Å |
| 152 | E | 88.1 | Confident | 87.1 | Confident | 141 Ų | 141 | 109.6 Ų | 109.6 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 177.1 | -171.7 | 177.8 | 177.4 | 0 | 0 | 111.5 | A148 T154 F155 A156 | A148-E152 PolarHBondContact O-N 2.73Å; E152-T154 PolarHBondContact O-N 3.02Å; E152-F155 PolarHBondContact O-N 2.91Å; E152-A156 VanDerWaalsContact O-CB 3.26Å; E152-A156 WeakPolarHBondContact O-CB 3.45Å; E152-A156 PolarHBondContact O-N 3.01Å |
| 153 | R | 90.6 | Very high | 85.5 | Confident | 180 Ų | 180 | 111.3 Ų | 111.3 | 68% | 0.679 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 175 | -73.1 | 175.2 | -171.6 | 171.3 | 7.9 | 112.3 | D149 E150 A151 A157 | D149-R153 VanDerWaalsContact O-CG 3.28Å; D149-R153 WeakPolarHBondContact O-CG 3.43Å; D149-R153 PolarHBondContact O-N 2.97Å; D149-R153 VanDerWaalsContact O-N 3.1Å; E150-R153 PolarHBondContact O-N 2.68Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-R153 PolarHBondContact O-N 3.45Å; R153-A157 WeakPolarHBondContact O-CB 3.49Å; R153-A157 PolarHBondContact O-N 3.48Å |
| 154 | T | 89.5 | Confident | 83.7 | Confident | 97 Ų | 97 | 112.8 Ų | 112.8 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -42.5 | 177.2 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | E150 A151 E152 A157 Q158 | E150-T154 WeakPolarHBondContact O-CG2 3.38Å; E150-T154 PolarHBondContact O-N 2.86Å; A151-T154 PolarHBondContact O-N 2.76Å; A151-T154 PolarHBondContact O-OG1 3.16Å; E152-T154 PolarHBondContact O-N 3.02Å; T154-A157 PolarHBondContact O-N 2.82Å; T154-Q158 PolarHBondContact O-N 2.68Å |
| 155 | F | 87.9 | Confident | 81.9 | Confident | 128 Ų | 128 | 112.3 Ų | 112.3 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.8 | -42.3 | 177.5 | -168.3 | -95.9 | 0 | 0 | 0 | 112 | A151 E152 A157 Q158 R159 | A151-F155 WeakPolarHBondContact O-CB 3.25Å; A151-F155 PolarHBondContact O-N 3.04Å; E152-F155 PolarHBondContact O-N 2.91Å; F155-A157 VanDerWaalsContact C-N 3.34Å; F155-A157 PolarHBondContact O-N 3.25Å; F155-Q158 PolarHBondContact O-N 3.31Å; F155-R159 HydrophobicContact CE1-CG 4.43Å; F155-R159 PolarHBondContact O-N 3.28Å |
| 156 | A | 88.8 | Confident | 79.6 | Confident | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E152 R160 | E152-A156 VanDerWaalsContact O-CB 3.26Å; E152-A156 WeakPolarHBondContact O-CB 3.45Å; E152-A156 PolarHBondContact O-N 3.01Å; A156-R160 PolarHBondContact O-N 3.37Å; A156-R160 VanDerWaalsContact O-N 3.13Å |
| 157 | A | 87.3 | Confident | 77.3 | Confident | 67 Ų | 67 | 110.6 Ų | 110.6 | 55% | 0.554 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | R153 T154 F155 R160 G161 | R153-A157 WeakPolarHBondContact O-CB 3.49Å; R153-A157 PolarHBondContact O-N 3.48Å; T154-A157 PolarHBondContact O-N 2.82Å; F155-A157 VanDerWaalsContact C-N 3.34Å; F155-A157 PolarHBondContact O-N 3.25Å; A157-R160 PolarHBondContact O-N 2.93Å; A157-G161 PolarHBondContact O-N 3.3Å; A157-G161 VanDerWaalsContact O-N 3.16Å |
| 158 | Q | 85.1 | Confident | 75 | Confident | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.4 | -46.5 | 177.1 | -173.9 | 172.6 | 0.9 | 0 | 0 | 111.9 | T154 F155 R160 G161 E162 | T154-Q158 PolarHBondContact O-N 2.68Å; F155-Q158 PolarHBondContact O-N 3.31Å; Q158-R160 VanDerWaalsContact C-N 3.26Å; Q158-R160 PolarHBondContact O-N 3.11Å; Q158-G161 PolarHBondContact O-N 3Å; Q158-G161 VanDerWaalsContact O-N 3.1Å; Q158-E162 PolarHBondContact O-N 2.86Å |
| 159 | R | 80.5 | Confident | 72.8 | Confident | 166 Ų | 166 | 113.2 Ų | 113.2 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.5 | -38.6 | 175.8 | -110 | -152.5 | 179.4 | -178.5 | 4.2 | 112.7 | F155 G161 E162 Q163 | F155-R159 HydrophobicContact CE1-CG 4.43Å; F155-R159 PolarHBondContact O-N 3.28Å; R159-G161 VanDerWaalsContact C-N 3.34Å; R159-E162 PolarHBondContact O-N 3.46Å; R159-Q163 WeakPolarHBondContact O-CB 3.12Å; R159-Q163 PolarHBondContact O-N 3.18Å |
| 160 | R | 78.4 | Confident | 70.5 | Confident | 199 Ų | 199 | 120.4 Ų | 120.4 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.8 | -39.7 | 177.1 | -162 | -178.9 | -138.1 | -90.8 | 1.6 | 111.7 | A156 A157 Q158 E164 | A156-R160 PolarHBondContact O-N 3.37Å; A156-R160 VanDerWaalsContact O-N 3.13Å; A157-R160 PolarHBondContact O-N 2.93Å; Q158-R160 VanDerWaalsContact C-N 3.26Å; Q158-R160 PolarHBondContact O-N 3.11Å; R160-E164 PolarHBondContact O-N 3.18Å |
| 161 | G | 73.1 | Confident | 68.2 | Low | 29 Ų | 29 | 123.9 Ų | 123.9 | 30% | 0.299 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.1 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | A157 Q158 R159 E164 N165 | A157-G161 PolarHBondContact O-N 3.3Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Q158-G161 PolarHBondContact O-N 3Å; Q158-G161 VanDerWaalsContact O-N 3.1Å; R159-G161 VanDerWaalsContact C-N 3.34Å; G161-E164 PolarHBondContact O-N 3.16Å; G161-N165 PolarHBondContact O-N 3.38Å; G161-N165 VanDerWaalsContact O-N 3.16Å; G161-N165 PolarHBondContact O-ND2 3.41Å |
| 162 | E | 62.3 | Low | 65.7 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.1 | -36.7 | 174.8 | -73.9 | 176.5 | 167.3 | 0 | 0 | 112.4 | Q158 R159 E164 N165 S166 | Q158-E162 PolarHBondContact O-N 2.86Å; R159-E162 PolarHBondContact O-N 3.46Å; E162-E164 VanDerWaalsContact C-N 3.26Å; E162-E164 PolarHBondContact O-N 3.45Å; E162-N165 CarbonylContact O-C 3.59Å; E162-N165 PolarHBondContact O-N 3.39Å; E162-S166 WeakPolarHBondContact O-CB 3.3Å; E162-S166 PolarHBondContact O-N 3.45Å |
| 163 | Q | 58.2 | Low | 63.8 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.5 | -25.3 | 177 | -154.5 | 168 | 12 | 0 | 0 | 112.4 | R159 | R159-Q163 WeakPolarHBondContact O-CB 3.12Å; R159-Q163 PolarHBondContact O-N 3.18Å |
| 164 | E | 54.8 | Low | 61.7 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.6 | -35.8 | 171.1 | -159 | 173.2 | -175.3 | 0 | 0 | 111.7 | R160 G161 E162 T167 | R160-E164 PolarHBondContact O-N 3.18Å; G161-E164 PolarHBondContact O-N 3.16Å; E162-E164 VanDerWaalsContact C-N 3.26Å; E162-E164 PolarHBondContact O-N 3.45Å; E164-T167 PolarHBondContact O-OG1 3.41Å |
| 165 | N | 51.3 | Low | 59.2 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -86.1 | -20.7 | 178.9 | -71.9 | -27.5 | 0 | 0 | 0 | 115 | G161 E162 T167 | G161-N165 PolarHBondContact O-N 3.38Å; G161-N165 VanDerWaalsContact O-N 3.16Å; G161-N165 PolarHBondContact O-ND2 3.41Å; E162-N165 CarbonylContact O-C 3.59Å; E162-N165 PolarHBondContact O-N 3.39Å; N165-T167 VanDerWaalsContact C-N 3.25Å; N165-T167 PolarHBondContact O-N 3.41Å |
| 166 | S | 43.8 | Very low | 57.2 | Low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 19.8 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | E162 T168 | E162-S166 WeakPolarHBondContact O-CB 3.3Å; E162-S166 PolarHBondContact O-N 3.45Å; S166-T168 PolarHBondContact O-N 3.42Å |
| 167 | T | 43.7 | Very low | 55.1 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 1.4 | 162.8 | 44 | 0 | 0 | 0 | 0 | 112.8 | E164 N165 | E164-T167 PolarHBondContact O-OG1 3.41Å; N165-T167 VanDerWaalsContact C-N 3.25Å; N165-T167 PolarHBondContact O-N 3.41Å |
| 168 | T | 45.3 | Very low | 53.1 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -136.7 | 126.2 | 174.7 | -18 | 0 | 0 | 0 | 0 | 110.7 | S166 | S166-T168 PolarHBondContact O-N 3.42Š|
| 169 | V | 45.4 | Very low | 51.7 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | 83.3 | 90.6 | 169.2 | -162.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 170 | K | 43.1 | Very low | 50.1 | Low | 217 Ų | 217 | 131.9 Ų | 131.9 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -94.6 | 108 | 157.4 | -135.2 | -174.2 | -171.7 | 179.4 | 0 | 106.9 | ||||
| 171 | E | 43 | Very low | 49 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -140.6 | 119 | 163.3 | -154.5 | 179.1 | 171.5 | 0 | 0 | 109.4 | ||||
| 172 | Q | 39.8 | Very low | 47.7 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -72 | 155.5 | 170 | -81 | -170.9 | -91.6 | 0 | 0 | 110.1 | ||||
| 173 | P | 48.4 | Very low | 47.5 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -116.5 | 122.4 | 138 | 29.8 | -17.3 | 0 | 0 | 0 | 110.1 | ||||
| 174 | E | 45.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 139.5 | 156.6 | -65.4 | -173.1 | 132 | 0 | 0 | 109 | ||||
| 175 | G | 38.5 | Very low | 47.2 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 165.4 | 83 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 176 | N | 44.1 | Very low | 47 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | 45.1 | 115.8 | 139.6 | -55.4 | 5.3 | 0 | 0 | 0 | 119.5 | ||||
| 177 | G | 44.7 | Very low | 47.4 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | 138.4 | 74.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T179 | G177-T179 PolarHBondContact O-N 3.08Å; G177-T179 PolarHBondContact O-OG1 2.98Å | ||
| 178 | A | 47 | Very low | 47.4 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -63.1 | 102.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | F180 | A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 WeakPolarHBondContact O-CD1 3.11Å; A178-F180 PolarHBondContact O-N 3.38Å | ||
| 179 | T | 54.2 | Low | 47.4 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -74.8 | 82.6 | 177.8 | -24 | 0 | 0 | 0 | 0 | 108.4 | G177 V181 | G177-T179 PolarHBondContact O-N 3.08Å; G177-T179 PolarHBondContact O-OG1 2.98Å; T179-V181 PolarHBondContact O-N 2.89Å | ||
| 180 | F | 46.8 | Very low | 46.9 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 116.7 | 165.3 | 46.2 | -90.5 | 0 | 0 | 0 | 107.9 | A178 N182 | A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 WeakPolarHBondContact O-CD1 3.11Å; A178-F180 PolarHBondContact O-N 3.38Å; F180-N182 PolarHBondContact O-N 2.92Å | ||
| 181 | V | 55.7 | Low | 46.6 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 107.4 | 177.4 | -144.5 | 0 | 0 | 0 | 0 | 107.1 | T179 V183 | T179-V181 PolarHBondContact O-N 2.89Å; V181-V183 PolarHBondContact O-N 3.05Å | ||
| 182 | N | 45.4 | Very low | 46.8 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -75.8 | 100.4 | 175.5 | -174 | 5.3 | 0 | 0 | 0 | 108.9 | F180 S184 | F180-N182 PolarHBondContact O-N 2.92Å; N182-S184 PolarHBondContact O-N 2.89Å | ||
| 183 | V | 59.8 | Low | 46.8 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -83.4 | 97.6 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | V181 | V181-V183 PolarHBondContact O-N 3.05Š| ||
| 184 | S | 56.2 | Low | 46.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 120.9 | 168 | -127.4 | 0 | 0 | 0 | 0 | 108.9 | N182 | N182-S184 PolarHBondContact O-N 2.89Š| ||
| 185 | F | 49.3 | Very low | 46.6 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -93 | 99.6 | 171.8 | -173.7 | -102.7 | 0 | 0 | 0 | 108.2 | L187 | F185-L187 HydrophobicContact CD1-CB 4.16Å; F185-L187 HydrophobicContact CE1-CB 3.79Å; F185-L187 HydrophobicContact CE1-CD1 3.67Å; F185-L187 HydrophobicContact CE1-CG 4.22Å; F185-L187 HydrophobicContact CZ-CD1 3.91Å; F185-L187 PolarHBondContact O-N 3.46Å | ||
| 186 | E | 46.8 | Very low | 47.3 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 101.2 | 172.2 | -166.8 | 155 | -170.6 | 0 | 0 | 108.2 | E188 | E186-E188 PolarHBondContact O-N 3.31Š| ||
| 187 | L | 52.8 | Low | 47.9 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -83.4 | 91.7 | 174.2 | -172.3 | 73.6 | 0 | 0 | 0 | 108.4 | F185 | F185-L187 HydrophobicContact CD1-CB 4.16Å; F185-L187 HydrophobicContact CE1-CB 3.79Å; F185-L187 HydrophobicContact CE1-CD1 3.67Å; F185-L187 HydrophobicContact CE1-CG 4.22Å; F185-L187 HydrophobicContact CZ-CD1 3.91Å; F185-L187 PolarHBondContact O-N 3.46Å | ||
| 188 | E | 43 | Very low | 48.7 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 132.6 | 167.3 | -107.5 | -89.2 | 128.1 | 0 | 0 | 109.6 | E186 E190 | E186-E188 PolarHBondContact O-N 3.31Å; E188-E190 PolarHBondContact O-N 2.78Å | ||
| 189 | P | 45 | Very low | 49.2 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -77.1 | 114.1 | 177.7 | 30.3 | -30.5 | 0 | 0 | 0 | 110.2 | S191 | P189-S191 PolarHBondContact O-N 3.27Å; P189-S191 VanDerWaalsContact O-N 3.11Å | ||
| 190 | E | 35.4 | Very low | 49.3 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -38.3 | 111.9 | 172.8 | -83 | -105.5 | 136.9 | 0 | 0 | 113.4 | E188 S192 | E188-E190 PolarHBondContact O-N 2.78Å; E190-S192 PolarHBondContact O-N 3.14Å | ||
| 191 | S | 37.7 | Very low | 50.2 | Low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -71.3 | 115.2 | 167.4 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | P189 L193 | P189-S191 PolarHBondContact O-N 3.27Å; P189-S191 VanDerWaalsContact O-N 3.11Å; S191-L193 PolarHBondContact O-N 2.64Å; S191-L193 VanDerWaalsContact O-N 3.11Å | ||
| 192 | S | 47.3 | Very low | 50.7 | Low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -68 | 101.9 | -177.6 | -31.9 | 0 | 0 | 0 | 0 | 111.5 | E190 | E190-S192 PolarHBondContact O-N 3.14Š| ||
| 193 | L | 38.5 | Very low | 51.8 | Low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -137.7 | 82.8 | 159.5 | -81.3 | -179.4 | 0 | 0 | 0 | 112.1 | S191 N195 | S191-L193 PolarHBondContact O-N 2.64Å; S191-L193 VanDerWaalsContact O-N 3.11Å; L193-N195 PolarHBondContact O-N 3.37Å | ||
| 194 | R | 44 | Very low | 52.3 | Low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -24.2 | 115.3 | 147.9 | -178.3 | -177.3 | -174.9 | -155.2 | 1.9 | 113.8 | ||||
| 195 | N | 46.4 | Very low | 52.5 | Low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -137.5 | 118.6 | 143.4 | -109.5 | -28 | 0 | 0 | 0 | 108.3 | L193 D197 | L193-N195 PolarHBondContact O-N 3.37Å; N195-D197 PolarHBondContact O-N 2.66Å | ||
| 196 | P | 52.7 | Low | 52.9 | Low | 104 Ų | 104 | 142.6 Ų | 142.6 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 116.2 | 177.3 | 30.5 | -29 | 0 | 0 | 0 | 109.4 | P198 | P196-P198 WeakPolarHBondContact O-CD 3.31Š| ||
| 197 | D | 57 | Low | 53.4 | Low | 106 Ų | 106 | 143.5 Ų | 143.5 | 57% | 0.567 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 119.7 | 163.7 | -173.8 | -17.6 | 0 | 0 | 0 | 108.4 | N195 N199 | N195-D197 PolarHBondContact O-N 2.66Å; D197-N199 PolarHBondContact O-N 2.91Å; D197-N199 VanDerWaalsContact O-N 3.11Å; D197-N199 PolarHBondContact OD1-N 3.49Å; D197-N199 VanDerWaalsContact OD1-N 3.09Å | ||
| 198 | P | 61 | Low | 53.4 | Low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -3.3 | -177.7 | 28 | -34.8 | 0 | 0 | 0 | 114.3 | P196 | P196-P198 WeakPolarHBondContact O-CD 3.31Š|
| 199 | N | 57.3 | Low | 54 | Low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 11.6 | -176.8 | -69.2 | -66.8 | 0 | 0 | 0 | 115.3 | D197 V201 | D197-N199 PolarHBondContact O-N 2.91Å; D197-N199 VanDerWaalsContact O-N 3.11Å; D197-N199 PolarHBondContact OD1-N 3.49Å; D197-N199 VanDerWaalsContact OD1-N 3.09Å; N199-V201 PolarHBondContact O-N 3.44Å |
| 200 | R | 57 | Low | 54.5 | Low | 225 Ų | 225 | 145.4 Ų | 145.4 | 85% | 0.849 | 82% | 0.819 | S | S | * | * | trans | -89.5 | 101.8 | -178.9 | -160.3 | 172.7 | -168.5 | 172.4 | 2.9 | 112.1 | ||||
| 201 | V | 65.3 | Low | 55.6 | Low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 133.6 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | N199 | N199-V201 PolarHBondContact O-N 3.44Š|
| 202 | P | 67 | Low | 56.7 | Low | 113 Ų | 113 | 145.2 Ų | 145.2 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 140.8 | 178.1 | -13.9 | 27.6 | 0 | 0 | 0 | 111.9 | ||
| 203 | S | 68.9 | Low | 57.4 | Low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 135.8 | 172.4 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 204 | P | 70 | Confident | 58.7 | Low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70 | 140.8 | 177.8 | 27.3 | -30.8 | 0 | 0 | 0 | 110.9 | ||
| 205 | L | 60.2 | Low | 59.8 | Low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72 | 142.6 | 176.2 | -71.7 | 167.4 | 0 | 0 | 0 | 110.4 | ||
| 206 | P | 58.7 | Low | 61 | Low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.7 | 175.4 | 29.1 | -33 | 0 | 0 | 0 | 110.8 | ||
| 207 | S | 56.7 | Low | 61.7 | Low | 196 Ų | 196 | 140.9 Ų | 140.9 | 100% | 1.371 | 82% | 0.824 | S | S | * | * | trans | -83.7 | 0 | 168.9 | -70.3 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 207 of 207 residues in 410.9 ms
(Link to these results)