| 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 | 39.4 | Very low | 47.8 | Very low | 245 Ų | 245 | 138.1 Ų | 138.1 | 100% | 1.207 | 75% | 0.752 | S | S | * | * | 0 | 133.1 | 0 | -62.1 | 168.7 | -172.7 | 0 | 0 | 107.8 | |||||
| 2 | A | 42.2 | Very low | 48 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 135.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 3 | L | 41.8 | Very low | 48.4 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 146 | 173 | -69.8 | 173.2 | 0 | 0 | 0 | 110.4 | ||
| 4 | S | 49.5 | Very low | 49 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.2 | -174 | -178 | 0 | 0 | 0 | 0 | 112.9 | R6 A7 | S4-R6 PolarHBondContact O-N 3.08Å; S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.41Å |
| 5 | S | 47.9 | Very low | 49.2 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -53 | -28.2 | 175.9 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | A7 R8 | S5-A7 PolarHBondContact O-N 3.4Å; S5-R8 PolarHBondContact O-N 3.26Å |
| 6 | R | 50.8 | Low | 49.8 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -62.2 | -20.1 | 177.3 | -160.1 | 170.5 | -173 | 163 | 2.2 | 113.8 | S4 | S4-R6 PolarHBondContact O-N 3.08Š|
| 7 | A | 49.9 | Very low | 49.4 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -79.6 | -18.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | S4 S5 | S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.41Å; S5-A7 PolarHBondContact O-N 3.4Å |
| 8 | R | 51 | Low | 49.3 | Very low | 211 Ų | 211 | 128.2 Ų | 128.2 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -80.1 | -16.8 | -177.7 | -81.6 | -168.6 | 171.6 | -177.7 | -2.4 | 114.8 | S5 F10 S11 | S5-R8 PolarHBondContact O-N 3.26Å; R8-F10 PolarHBondContact O-N 3.35Å; R8-F10 VanDerWaalsContact O-N 3.09Å; R8-S11 PolarHBondContact O-N 3.4Å |
| 9 | A | 51.3 | Low | 48.9 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -65.4 | -11.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 10 | F | 53.7 | Low | 48.3 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -119.5 | 11.5 | -179.3 | -62.6 | -77.5 | 0 | 0 | 0 | 113.7 | R8 | R8-F10 PolarHBondContact O-N 3.35Å; R8-F10 VanDerWaalsContact O-N 3.09Å |
| 11 | S | 48.4 | Very low | 48 | Very low | 63 Ų | 63 | 130.5 Ų | 130.5 | 44% | 0.441 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -76.2 | 143.3 | 171.5 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | R8 E13 A14 | R8-S11 PolarHBondContact O-N 3.4Å; S11-E13 PolarHBondContact O-N 2.84Å; S11-E13 VanDerWaalsContact O-N 3.16Å; S11-A14 WeakPolarHBondContact O-CB 3.43Å; S11-A14 PolarHBondContact O-N 3.43Å |
| 12 | V | 50.3 | Low | 47.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -57.6 | -34 | -178 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | A14 L15 V16 | V12-A14 PolarHBondContact O-N 2.66Å; V12-L15 PolarHBondContact O-N 3.42Å; V12-L15 VanDerWaalsContact O-N 3.13Å; V12-V16 HydrophobicContact CG1-CG2 4.06Å; V12-V16 PolarHBondContact O-N 2.78Å |
| 13 | E | 52.6 | Low | 47 | Very low | 123 Ų | 123 | 134 Ų | 134 | 58% | 0.575 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.8 | -16.4 | 177.2 | -166.4 | 174.3 | -157.3 | 0 | 0 | 114 | S11 R18 | S11-E13 PolarHBondContact O-N 2.84Å; S11-E13 VanDerWaalsContact O-N 3.16Å; E13-R18 IonicContact OE1-CZ 3.39Å; E13-R18 IonicContact OE1-NE 3.29Å; E13-R18 PolarHBondContact OE1-NE 3.24Å; E13-R18 IonicContact OE1-NH2 2.67Å; E13-R18 PolarHBondContact OE1-NH2 3.12Å |
| 14 | A | 57.2 | Low | 46.5 | Very low | 67 Ų | 67 | 135 Ų | 135 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -91.9 | -20.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S11 V12 | S11-A14 WeakPolarHBondContact O-CB 3.43Å; S11-A14 PolarHBondContact O-N 3.43Å; V12-A14 PolarHBondContact O-N 2.66Å |
| 15 | L | 51.5 | Low | 45.5 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -93.1 | -35 | 177.7 | -85.9 | 157.6 | 0 | 0 | 0 | 112.5 | V12 G17 | V12-L15 PolarHBondContact O-N 3.42Å; V12-L15 VanDerWaalsContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 2.99Å |
| 16 | V | 58.6 | Low | 44.7 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 62% | 0.624 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -98.4 | 83.7 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | V12 R18 | V12-V16 HydrophobicContact CG1-CG2 4.06Å; V12-V16 PolarHBondContact O-N 2.78Å; V16-R18 PolarHBondContact O-N 3.21Å |
| 17 | G | 43.8 | Very low | 43.8 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -54.7 | 129.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L15 | L15-G17 PolarHBondContact O-N 2.99Š| ||
| 18 | R | 47.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | -60.7 | 135.4 | -178.7 | -67 | -176.7 | 177 | -162 | 0.9 | 110.7 | E13 V16 S20 | E13-R18 IonicContact OE1-CZ 3.39Å; E13-R18 IonicContact OE1-NE 3.29Å; E13-R18 PolarHBondContact OE1-NE 3.24Å; E13-R18 IonicContact OE1-NH2 2.67Å; E13-R18 PolarHBondContact OE1-NH2 3.12Å; V16-R18 PolarHBondContact O-N 3.21Å; R18-S20 PolarHBondContact O-N 2.98Å | ||
| 19 | P | 41.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 101.7 | 175.8 | 28.4 | -33.8 | 0 | 0 | 0 | 110.6 | K21 | P19-K21 PolarHBondContact O-N 3.28Š| ||
| 20 | S | 37.1 | Very low | 40.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -67 | 94.5 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | R18 | R18-S20 PolarHBondContact O-N 2.98Š| ||
| 21 | K | 41.1 | Very low | 39.3 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -70.9 | 154.7 | 157.6 | -72 | -172.7 | 174.7 | -175.6 | 0 | 109.9 | P19 | P19-K21 PolarHBondContact O-N 3.28Š| ||
| 22 | R | 30.7 | Very low | 38.2 | Very low | 233 Ų | 233 | 145.5 Ų | 145.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | 91.6 | 135.2 | -173 | -56.5 | 163 | -177.1 | -174 | 1.4 | 112 | ||||
| 23 | K | 30 | Very low | 37.6 | Very low | 189 Ų | 189 | 146 Ų | 146 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | cis | -154.2 | 157.5 | -2.7 | -123.3 | 178.8 | 179.2 | -165.9 | 0 | 109.8 | ||||
| 24 | F | 31.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -61.9 | 142.4 | 161.6 | -114.9 | -105.5 | 0 | 0 | 0 | 109.6 | ||||
| 25 | Q | 28.8 | Very low | 35.1 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -156 | 120.2 | 164.3 | -159.6 | 157.8 | 7.3 | 0 | 0 | 108.6 | ||||
| 26 | D | 31.1 | Very low | 34 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | -86.2 | 159 | -168 | -41.4 | -83.9 | 0 | 0 | 0 | 112.5 | ||||
| 27 | P | 32.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -123.5 | 139.8 | 142.1 | 35 | -25.9 | 0 | 0 | 0 | 111.8 | ||||
| 28 | I | 26.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 160.9 Ų | 160.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -126.4 | 143.2 | 175.6 | -75.8 | 176.9 | 0 | 0 | 0 | 108.1 | ||||
| 29 | Q | 28.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 64.9 | 140 | 178.1 | -70.7 | 166.2 | -83.6 | 0 | 0 | 114.9 | ||||
| 30 | E | 29 | Very low | 30.1 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | cis | -139.6 | 171.3 | -4.6 | -104.1 | 140 | -164.7 | 0 | 0 | 106.9 | ||||
| 31 | E | 26 | Very low | 29.7 | Very low | 180 Ų | 180 | 155.7 Ų | 155.7 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | cis | -156.8 | 170.4 | 22.6 | -151 | 173.2 | -174.8 | 0 | 0 | 109.8 | ||||
| 32 | Q | 27.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -132.5 | 154.9 | 169.7 | -95.7 | -160.3 | 14.5 | 0 | 0 | 111 | ||||
| 33 | P | 36.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -120.1 | 149.5 | 97.6 | -3.1 | 24.7 | 0 | 0 | 0 | 112.2 | |||||
| 34 | E | 29.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 52.5 | 136.7 | 71.5 | -70.4 | -159.6 | 148.8 | 0 | 0 | 114.6 | |||||
| 35 | L | 28.5 | Very low | 28.9 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -141.9 | -175.9 | 16.7 | -145.2 | 65.1 | 0 | 0 | 0 | 107.7 | ||||
| 36 | Q | 27.4 | Very low | 29 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -156 | 170.1 | 9.6 | -170.4 | 168.7 | 69 | 0 | 0 | 110.7 | ||||
| 37 | E | 28.5 | Very low | 29 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | -88.6 | 159.2 | -176.1 | -46 | 167.4 | 90.6 | 0 | 0 | 116.5 | ||||
| 38 | K | 29.9 | Very low | 29 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | -176.3 | 133 | 115 | -95.8 | 168.6 | -179.8 | 179.2 | 0 | 109.1 | |||||
| 39 | K | 27.4 | Very low | 29.1 | Very low | 188 Ų | 188 | 153 Ų | 153 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | cis | 78.2 | 122.7 | 40.4 | -169.3 | 178.7 | -173.1 | 169 | 0 | 112.5 | ||||
| 40 | G | 25 | Very low | 29.2 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | cis | 171.5 | -175.5 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 41 | G | 27.4 | Very low | 29.3 | Very low | 62 Ų | 62 | 147.7 Ų | 147.7 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | trans | 92.7 | 144.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 42 | E | 29.4 | Very low | 29.5 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | cis | 73.1 | 133.1 | 28.7 | -57.8 | 159 | 173.6 | 0 | 0 | 112.1 | ||||
| 43 | E | 30.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | cis | -152.9 | 145.4 | 6.3 | -110.2 | 161.2 | -178.3 | 0 | 0 | 108.8 | ||||
| 44 | E | 28.6 | Very low | 29.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | 82.6 | 151.9 | 99.7 | -161.8 | 166.2 | -120.1 | 0 | 0 | 118.5 | |||||
| 45 | E | 28.3 | Very low | 29.2 | Very low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 81.1 | 179.1 | 161.5 | -117.3 | -158.3 | 163.3 | 0 | 0 | 123.3 | ||||
| 46 | E | 30.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 56% | 0.561 | 77% | 0.769 | S | S | * | * | trans | -143.6 | 141.1 | -139.2 | -173.7 | -125.7 | 144.8 | 0 | 0 | 112.3 | ||||
| 47 | R | 31.6 | Very low | 29.7 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 157 | 143.2 | 131.3 | -85.6 | 159.1 | -171 | 174.7 | 8.1 | 116.3 | ||||
| 48 | R | 31.2 | Very low | 29.6 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | 34.6 | 143.5 | 131.4 | -54.8 | 175.9 | -173.3 | -154.4 | -1 | 119.1 | ||||
| 49 | S | 30 | Very low | 29.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | cis | -172.2 | -178.2 | 1.2 | 52.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 50 | S | 30 | Very low | 29.4 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -172.8 | 164.5 | 28.3 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 51 | A | 30.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 59.9 | 153.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 52 | A | 29.9 | Very low | 29.8 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | cis | -163 | 160.8 | -21.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 53 | G | 27 | Very low | 29.6 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | 177.5 | -168.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 54 | K | 31.1 | Very low | 29.3 | Very low | 209 Ų | 209 | 140 Ų | 140 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | 27.5 | 139.9 | 155.1 | -69.7 | -176.4 | 177.2 | -177.5 | 0 | 121 | ||||
| 55 | S | 28.9 | Very low | 29.2 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -165.3 | 160.3 | 3.6 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 56 | E | 29.8 | Very low | 29.1 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 171 | 172.2 | -142.3 | -165.5 | -101.6 | 0 | 0 | 112.7 | L58 | E56-L58 PolarHBondContact OE2-N 3.48Š| ||
| 57 | P | 36.5 | Very low | 29 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | -149.9 | 138.8 | 83.1 | 36.3 | -16.1 | 0 | 0 | 0 | 118.8 | |||||
| 58 | L | 26.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | 64.4 | 131.1 | 121.6 | -142.9 | 82.7 | 0 | 0 | 0 | 124.9 | E56 | E56-L58 PolarHBondContact OE2-N 3.48Š| |||
| 59 | E | 27 | Very low | 28.5 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | 68.7 | 154.7 | 144.9 | -89.5 | -176.5 | -175.5 | 0 | 0 | 122 | ||||
| 60 | K | 27.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 130 Ų | 130 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | cis | -158.9 | -172.8 | -19.9 | -138.9 | 168.3 | -152.6 | 160.3 | 0 | 111 | ||||
| 61 | Q | 28.5 | Very low | 28.7 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 168.8 | 174.3 | -67.7 | -175.7 | -27.8 | 0 | 0 | 114.2 | ||||
| 62 | P | 31.8 | Very low | 28.8 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | -134.9 | -177.8 | 112.7 | 40 | -31.9 | 0 | 0 | 0 | 114.9 | |||||
| 63 | K | 24.5 | Very low | 28.7 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -149.6 | 149 | -172.5 | -147.3 | -163.4 | -178.4 | -172.5 | 0 | 109.8 | ||||
| 64 | T | 24.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 61% | 0.607 | 78% | 0.784 | S | S | * | * | trans | 77.8 | 123 | 144.3 | -69.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 65 | E | 26.8 | Very low | 28.9 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | 72.6 | 108.5 | 143.5 | -77.4 | 157.2 | -138.6 | 0 | 0 | 126.6 | ||||
| 66 | S | 26.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 93.2 | 156.2 | 110.3 | 82.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 67 | S | 29.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 95.1 | 100.6 | 153.7 | 73.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 68 | T | 26.7 | Very low | 29.3 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | 21.2 | 133.5 | 126 | -41.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 69 | T | 25.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -164.5 | 162.6 | 136.1 | -75.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 70 | A | 30.7 | Very low | 30.2 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -135.1 | 157.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 71 | S | 33.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -157.3 | 128.4 | 164.3 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 72 | S | 32.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | 82 | 106.9 | 54.8 | -167.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 73 | G | 27.1 | Very low | 31 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 166 | 144.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | C | 30.3 | Very low | 31.5 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 97% | 0.973 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 145.2 | -172.3 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 75 | G | 31.8 | Very low | 32.1 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 163.8 | 132 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 76 | S | 35.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -59.8 | 173 | 177.1 | -43.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 77 | D | 32.1 | Very low | 33 | Very low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | cis | -161.2 | 161.2 | 29.5 | -165.8 | 16.8 | 0 | 0 | 0 | 114.8 | ||||
| 78 | S | 37.6 | Very low | 33.4 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 33.2 | 116.1 | 153.6 | -67.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 79 | G | 32.2 | Very low | 34.6 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -155.9 | 112.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | D | 39.9 | Very low | 36.4 | Very low | 178 Ų | 178 | 125 Ų | 125 | 95% | 0.952 | 78% | 0.784 | S | S | * | * | trans | -70.7 | 144 | -176.7 | -167.8 | 11 | 0 | 0 | 0 | 111.8 | ||||
| 81 | G | 32.6 | Very low | 39 | Very low | 60 Ų | 60 | 126.4 Ų | 126.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | -178.6 | 84.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I83 | G81-I83 PolarHBondContact O-N 3.48Š| ||
| 82 | N | 32.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -2.2 | 106.7 | 166.8 | -70.1 | -39.7 | 0 | 0 | 0 | 116.1 | S84 | N82-S84 PolarHBondContact O-N 3.01Š| ||
| 83 | I | 38.3 | Very low | 44.6 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -69.3 | 84.4 | 150.7 | -56.6 | 174.8 | 0 | 0 | 0 | 106.8 | G81 E85 | G81-I83 PolarHBondContact O-N 3.48Å; I83-E85 PolarHBondContact O-N 3.29Å | ||
| 84 | S | 35.5 | Very low | 47.9 | Very low | 91 Ų | 91 | 118.5 Ų | 118.5 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -58.9 | 120 | 148.5 | 55.2 | 0 | 0 | 0 | 0 | 106.8 | N82 S86 | N82-S84 PolarHBondContact O-N 3.01Å; S84-S86 PolarHBondContact O-N 3.03Å | ||
| 85 | E | 37.9 | Very low | 51 | Low | 180 Ų | 180 | 115.6 Ų | 115.6 | 84% | 0.841 | 67% | 0.666 | S | S | * | * | trans | -61.3 | 92 | 156.5 | -72.1 | -174.1 | 124.6 | 0 | 0 | 106.7 | I83 L87 | I83-E85 PolarHBondContact O-N 3.29Å; E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 PolarHBondContact O-N 3.18Å | ||
| 86 | S | 32.3 | Very low | 54.1 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -61.2 | 100.7 | 161.9 | 54.1 | 0 | 0 | 0 | 0 | 105.5 | S84 E88 | S84-S86 PolarHBondContact O-N 3.03Å; S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 2.9Å | ||
| 87 | L | 37.7 | Very low | 57 | Low | 159 Ų | 159 | 108.9 Ų | 108.9 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -52.2 | 101.6 | 162.4 | -70.6 | 170.7 | 0 | 0 | 0 | 105.8 | E85 E89 | E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 PolarHBondContact O-N 3.18Å; L87-E89 PolarHBondContact O-N 3.41Å | ||
| 88 | E | 39.3 | Very low | 59.9 | Low | 158 Ų | 158 | 104.3 Ų | 104.3 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | trans | -62.8 | 96.4 | 169.6 | -72.4 | -169.9 | 159 | 0 | 0 | 105.9 | S86 K90 | S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 2.9Å; E88-K90 PolarHBondContact O-N 3.25Å | ||
| 89 | E | 52.4 | Low | 62.7 | Low | 163 Ų | 163 | 101.2 Ų | 101.2 | 76% | 0.762 | 57% | 0.568 | S | S | * | * | trans | -59 | 96.3 | 166.1 | -75.5 | -158.8 | 178.3 | 0 | 0 | 106.7 | L87 D91 | L87-E89 PolarHBondContact O-N 3.41Å; E89-D91 PolarHBondContact O-N 2.85Å | ||
| 90 | K | 62.6 | Low | 65.8 | Low | 150 Ų | 150 | 102.2 Ų | 102.2 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | trans | -60.6 | 103.7 | -175 | -75.6 | 171.1 | -175 | 166.8 | 0 | 107.9 | E88 I92 | E88-K90 PolarHBondContact O-N 3.25Å; K90-I92 PolarHBondContact O-N 3.02Å; K90-I92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | D | 84.4 | Confident | 68.4 | Low | 125 Ų | 125 | 95.9 Ų | 95.9 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | trans | -61.5 | 120.6 | -169.4 | -141.4 | -5.5 | 0 | 0 | 0 | 108.5 | E89 Q93 | E89-D91 PolarHBondContact O-N 2.85Å; D91-Q93 PolarHBondContact O-N 3.04Å; D91-Q93 VanDerWaalsContact O-N 3.08Å | ||
| 92 | I | 90.8 | Very high | 71.5 | Confident | 16 Ų | 16 | 93.1 Ų | 93.1 | 8% | 0.082 | 49% | 0.489 | C | S | . | . | trans | -74.6 | 110.4 | -169 | -71.1 | 170.2 | 0 | 0 | 0 | 107 | K90 V129 K130 G131 L132 K247 F249 | K90-I92 PolarHBondContact O-N 3.02Å; K90-I92 VanDerWaalsContact O-N 3.1Å; I92-V129 HydrophobicContact CG2-CG1 3.79Å; I92-K130 CarbonylContact C-O 3.55Å; I92-K130 WeakPolarHBondContact CA-O 3.41Å; I92-G131 WeakPolarHBondContact CG1-O 3.31Å; I92-L132 HydrophobicContact CD1-CD2 3.68Å; I92-L132 HydrophobicContact CG1-CD2 4.02Å; I92-L132 HydrophobicContact CG2-CD2 3.66Å; I92-K247 HydrophobicContact CB-CD 4.08Å; I92-K247 HydrophobicContact CD1-CD 3.84Å; I92-K247 HydrophobicContact CG1-CD 4.29Å; I92-F249 HydrophobicContact CB-CZ 4.24Å; I92-F249 HydrophobicContact CG2-CE2 4.22Å; I92-F249 HydrophobicContact CG2-CZ 3.82Å; I92-F249 WeakPolarHBondContact O-CE1 3.3Å; I92-F249 WeakPolarHBondContact O-CZ 3.43Å | ||
| 93 | Q | 93.6 | Very high | 74.6 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137 | -176.2 | -68.2 | 175.3 | 12.6 | 0 | 0 | 110.5 | D91 V129 K130 | D91-Q93 PolarHBondContact O-N 3.04Å; D91-Q93 VanDerWaalsContact O-N 3.08Å; Q93-V129 CarbonylContact O-C 3.54Å; Q93-V129 WeakPolarHBondContact O-CA 3.46Å; Q93-K130 HydrophobicContact CB-CB 4.37Å; Q93-K130 PolarHBondContact N-O 3.17Å; Q93-K130 PolarHBondContact O-N 3.1Å |
| 94 | M | 95.4 | Very high | 77.4 | Confident | 20 Ų | 20 | 88.6 Ų | 88.6 | 10% | 0.099 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.7 | 175.7 | -167.2 | 178.3 | -73.8 | 0 | 0 | 111.6 | V127 K128 V129 V224 V226 F249 F251 | M94-V127 HydrophobicContact CE-CG2 4.37Å; M94-V127 HydrophobicContact CG-CB 3.73Å; M94-V127 HydrophobicContact CG-CG1 4.03Å; M94-V127 HydrophobicContact CG-CG2 4.22Å; M94-V127 HydrophobicContact SD-CB 3.85Å; M94-V127 HydrophobicContact SD-CG1 3.79Å; M94-V127 HydrophobicContact SD-CG2 3.88Å; M94-K128 WeakPolarHBondContact CA-O 3.41Å; M94-V129 HydrophobicContact CE-CG2 3.87Å; M94-V129 HydrophobicContact CG-CG2 4.4Å; M94-V224 HydrophobicContact CE-CB 4.12Å; M94-V224 HydrophobicContact CE-CG1 3.63Å; M94-V224 HydrophobicContact SD-CB 3.71Å; M94-V224 HydrophobicContact SD-CG1 3.75Å; M94-V224 HydrophobicContact SD-CG2 4.34Å; M94-V226 HydrophobicContact CE-CG2 3.71Å; M94-F249 HydrophobicContact CB-CB 4.14Å; M94-F249 HydrophobicContact CB-CD1 3.73Å; M94-F249 HydrophobicContact CB-CD2 4.11Å; M94-F249 HydrophobicContact CB-CE1 4.19Å; M94-F249 HydrophobicContact CB-CG 3.69Å; M94-F249 HydrophobicContact CE-CB 4.29Å; M94-F249 HydrophobicContact CE-CD2 3.37Å; M94-F249 HydrophobicContact CE-CE2 3.96Å; M94-F249 HydrophobicContact CE-CG 3.97Å; M94-F249 HydrophobicContact CG-CB 4.48Å; M94-F249 HydrophobicContact CG-CG 4.39Å; M94-F249 HydrophobicContact SD-CB 3.67Å; M94-F249 HydrophobicContact SD-CD2 3.92Å; M94-F249 HydrophobicContact SD-CG 3.89Å; M94-F251 HydrophobicContact CB-CZ 4.37Å; M94-F251 HydrophobicContact CG-CZ 4.13Å; M94-F251 HydrophobicContact SD-CE2 4.38Å; M94-F251 HydrophobicContact SD-CZ 4.5Å |
| 95 | E | 96.3 | Very high | 80.4 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114 | -172.3 | -172.2 | -167.3 | 125 | 0 | 0 | 110.8 | Q97 V127 K128 K130 | E95-Q97 VanDerWaalsContact CD-NE2 3.35Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact O-NE2 2.73Å; E95-Q97 PolarHBondContact OE1-NE2 3.44Å; E95-V127 WeakPolarHBondContact O-CA 3.5Å; E95-K128 HydrophobicContact CB-CB 4.45Å; E95-K128 PolarHBondContact N-O 2.94Å; E95-K128 PolarHBondContact O-N 2.75Å; E95-K130 VanDerWaalsContact OE2-CE 3.31Å; E95-K130 WeakPolarHBondContact OE2-CE 3.49Å; E95-K130 IonicContact OE2-NZ 3.56Å; E95-K130 PolarHBondContact OE2-NZ 2.82Å |
| 96 | L | 96.9 | Very high | 83.2 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 111.5 | 179.3 | -179.1 | 67.6 | 0 | 0 | 0 | 111.6 | S99 W102 F251 E253 T254 | L96-S99 PolarHBondContact O-N 2.88Å; L96-W102 HydrophobicContact CD2-CB 4.29Å; L96-W102 HydrophobicContact CD2-CG 4.16Å; L96-F251 HydrophobicContact CB-CD1 3.86Å; L96-F251 HydrophobicContact CB-CD2 4.13Å; L96-F251 HydrophobicContact CB-CE1 3.83Å; L96-F251 HydrophobicContact CB-CE2 4.11Å; L96-F251 HydrophobicContact CB-CG 4.02Å; L96-F251 HydrophobicContact CB-CZ 3.96Å; L96-F251 HydrophobicContact CD1-CD2 4.15Å; L96-F251 HydrophobicContact CD1-CE2 4.42Å; L96-F251 HydrophobicContact CD2-CB 4.02Å; L96-F251 HydrophobicContact CD2-CD1 4.43Å; L96-F251 HydrophobicContact CD2-CD2 4.43Å; L96-F251 HydrophobicContact CD2-CG 4.04Å; L96-F251 HydrophobicContact CG-CD2 4.47Å; L96-F251 HydrophobicContact CG-CG 4.44Å; L96-E253 HydrophobicContact CD2-CG 3.58Å; L96-T254 HydrophobicContact CD1-CG2 4.01Å; L96-T254 HydrophobicContact CD2-CG2 3.7Å |
| 97 | Q | 96.8 | Very high | 86.2 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 122.7 | -177.4 | -63.7 | -59.4 | -57.2 | 0 | 0 | 111.3 | E95 R126 K128 I193 | E95-Q97 VanDerWaalsContact CD-NE2 3.35Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact O-NE2 2.73Å; E95-Q97 PolarHBondContact OE1-NE2 3.44Å; Q97-R126 HydrophobicContact CB-CB 4Å; Q97-R126 PolarHBondContact N-O 2.67Å; Q97-K128 HydrophobicContact CG-CB 4.16Å; Q97-I193 HydrophobicContact CB-CG2 4.12Å; Q97-I193 HydrophobicContact CG-CD1 3.97Å; Q97-I193 HydrophobicContact CG-CG1 4.06Å; Q97-I193 HydrophobicContact CG-CG2 3.76Å |
| 98 | G | 93.7 | Very high | 89 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 27.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E100 L101 W102 | G98-E100 PolarHBondContact O-N 3.48Å; G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.39Å; G98-W102 PolarHBondContact O-N 3.36Å |
| 99 | S | 95.2 | Very high | 91.6 | Very high | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.7 | -36 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | L96 L101 W102 K103 | L96-S99 PolarHBondContact O-N 2.88Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 2.7Å; S99-W102 WeakPolarHBondContact O-CB 3.25Å; S99-W102 PolarHBondContact O-N 2.76Å; S99-W102 VanDerWaalsContact O-N 3.12Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.31Å |
| 100 | E | 96.8 | Very high | 93.8 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 172.6 | 174.3 | 60 | -167.1 | 0 | 0 | 112.5 | G98 W102 K103 R104 | G98-E100 PolarHBondContact O-N 3.48Å; E100-W102 VanDerWaalsContact C-N 3.34Å; E100-K103 PolarHBondContact O-N 2.89Å; E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.53Å; E100-R104 IonicContact OE1-NE 2.64Å; E100-R104 PolarHBondContact OE1-NE 2.8Å; E100-R104 IonicContact OE1-NH2 2.62Å; E100-R104 PolarHBondContact OE1-NH2 2.95Å |
| 101 | L | 96.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 177.1 | -178.9 | 62.4 | 0 | 0 | 0 | 111.5 | G98 S99 F105 F122 P123 R274 | G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.39Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 2.7Å; L101-F105 HydrophobicContact CD1-CD2 4.26Å; L101-F105 HydrophobicContact CD1-CE2 3.87Å; L101-F105 HydrophobicContact CG-CD2 4.3Å; L101-F105 HydrophobicContact CG-CE2 4.14Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 PolarHBondContact O-N 3.43Å; L101-F122 HydrophobicContact CD2-CZ 4.32Å; L101-P123 HydrophobicContact CD2-CB 4.22Å; L101-P123 HydrophobicContact CD2-CG 3.93Å; L101-P123 HydrophobicContact CG-CG 3.9Å; L101-R274 HydrophobicContact CD1-CB 4.02Å; L101-R274 HydrophobicContact CD1-CG 3.84Å |
| 102 | W | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.2 | -81.2 | 102.4 | 0 | 0 | 0 | 111.8 | L96 G98 S99 E100 R104 F105 H106 T110 M112 P123 V125 E253 T254 | L96-W102 HydrophobicContact CD2-CB 4.29Å; L96-W102 HydrophobicContact CD2-CG 4.16Å; G98-W102 PolarHBondContact O-N 3.36Å; S99-W102 WeakPolarHBondContact O-CB 3.25Å; S99-W102 PolarHBondContact O-N 2.76Å; S99-W102 VanDerWaalsContact O-N 3.12Å; E100-W102 VanDerWaalsContact C-N 3.34Å; W102-R104 PolarHBondContact O-N 2.63Å; W102-F105 PolarHBondContact O-N 3.28Å; W102-H106 WeakPolarHBondContact O-CB 3.37Å; W102-H106 PolarHBondContact O-N 3.28Å; W102-T110 HydrophobicContact CZ3-CG2 4.33Å; W102-M112 HydrophobicContact CH2-CE 3.54Å; W102-M112 HydrophobicContact CZ3-CE 3.76Å; W102-P123 HydrophobicContact CD2-CB 4.28Å; W102-P123 HydrophobicContact CD2-CG 4.18Å; W102-P123 HydrophobicContact CZ2-CB 3.9Å; W102-P123 HydrophobicContact CZ2-CG 4.45Å; W102-P123 WeakPolarHBondContact CZ2-O 3.24Å; W102-V125 HydrophobicContact CH2-CG2 4.17Å; W102-V125 HydrophobicContact CZ2-CG2 3.82Å; W102-E253 HydrophobicContact CB-CB 4.19Å; W102-E253 HydrophobicContact CB-CG 3.88Å; W102-T254 HydrophobicContact CD2-CG2 3.85Å; W102-T254 HydrophobicContact CE3-CG2 3.98Å; W102-T254 HydrophobicContact CG-CG2 4.28Å; W102-T254 HydrophobicContact CH2-CG2 4.42Å; W102-T254 HydrophobicContact CZ2-CG2 4.34Å; W102-T254 HydrophobicContact CZ3-CG2 4.25Å |
| 103 | K | 97.4 | Very high | 96.5 | Very high | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.5 | -50.1 | 174.2 | -71 | 171.2 | -177.8 | -179.8 | 0 | 111.6 | S99 E100 F105 H106 D107 E253 | S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.31Å; E100-K103 PolarHBondContact O-N 2.89Å; K103-F105 PolarHBondContact O-N 2.87Å; K103-F105 VanDerWaalsContact O-N 3.1Å; K103-H106 CarbonylContact O-C 3.51Å; K103-H106 WeakPolarHBondContact O-CA 3.38Å; K103-H106 WeakPolarHBondContact O-CB 3.31Å; K103-H106 PolarHBondContact O-N 3.07Å; K103-D107 PolarHBondContact O-N 3.15Å; K103-D107 VanDerWaalsContact O-OD2 3.13Å; K103-E253 HydrophobicContact CG-CB 4.13Å |
| 104 | R | 97.3 | Very high | 96.7 | Very high | 131 Ų | 131 | 43.4 Ų | 43.4 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -25.9 | 176.3 | -61.6 | -61.9 | 177.5 | 151 | 0.8 | 114.8 | E100 W102 I108 L270 | E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.53Å; E100-R104 IonicContact OE1-NE 2.64Å; E100-R104 PolarHBondContact OE1-NE 2.8Å; E100-R104 IonicContact OE1-NH2 2.62Å; E100-R104 PolarHBondContact OE1-NH2 2.95Å; W102-R104 PolarHBondContact O-N 2.63Å; R104-I108 WeakPolarHBondContact O-CD1 3.48Å; R104-I108 WeakPolarHBondContact O-CG1 3.11Å; R104-L270 HydrophobicContact CB-CD2 4.13Å; R104-L270 WeakPolarHBondContact O-CD2 3.45Å |
| 105 | F | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -82.8 | -39.2 | 170.7 | -82.8 | -67.6 | 0 | 0 | 0 | 112.1 | L101 W102 K103 I108 G109 T110 F122 P123 I267 L270 K271 | L101-F105 HydrophobicContact CD1-CD2 4.26Å; L101-F105 HydrophobicContact CD1-CE2 3.87Å; L101-F105 HydrophobicContact CG-CD2 4.3Å; L101-F105 HydrophobicContact CG-CE2 4.14Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 PolarHBondContact O-N 3.43Å; W102-F105 PolarHBondContact O-N 3.28Å; K103-F105 PolarHBondContact O-N 2.87Å; K103-F105 VanDerWaalsContact O-N 3.1Å; F105-I108 PolarHBondContact O-N 2.7Å; F105-G109 CarbonylContact O-C 3.51Å; F105-G109 PolarHBondContact O-N 2.92Å; F105-G109 VanDerWaalsContact O-N 3.1Å; F105-T110 VanDerWaalsContact C-OG1 3.23Å; F105-T110 HydrophobicContact CB-CG2 4.1Å; F105-T110 PolarHBondContact O-N 3.35Å; F105-T110 PolarHBondContact O-OG1 2.98Å; F105-F122 HydrophobicContact CE2-CD1 4.37Å; F105-F122 AromaticContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CZ-CD1 4.26Å; F105-F122 AromaticContact CZ-CE1 3.96Å; F105-F122 HydrophobicContact CZ-CE1 3.96Å; F105-P123 HydrophobicContact CD2-CG 3.56Å; F105-P123 HydrophobicContact CE2-CG 3.7Å; F105-I267 HydrophobicContact CD1-CD1 3.98Å; F105-I267 HydrophobicContact CD1-CG2 4.43Å; F105-I267 HydrophobicContact CE1-CG2 4.33Å; F105-L270 HydrophobicContact CD1-CD2 3.68Å; F105-L270 HydrophobicContact CD1-CG 4.28Å; F105-L270 HydrophobicContact CD2-CD2 4.23Å; F105-L270 HydrophobicContact CE1-CB 3.87Å; F105-L270 HydrophobicContact CE1-CD2 3.6Å; F105-L270 HydrophobicContact CE1-CG 3.67Å; F105-L270 HydrophobicContact CE2-CD2 4.18Å; F105-L270 HydrophobicContact CE2-CG 4.21Å; F105-L270 HydrophobicContact CG-CD2 3.98Å; F105-L270 HydrophobicContact CZ-CB 4.16Å; F105-L270 HydrophobicContact CZ-CD2 3.86Å; F105-L270 HydrophobicContact CZ-CG 3.63Å; F105-K271 HydrophobicContact CD1-CD 4.47Å; F105-K271 HydrophobicContact CE1-CD 3.56Å; F105-K271 HydrophobicContact CE1-CG 3.88Å; F105-K271 HydrophobicContact CZ-CD 3.72Å; F105-K271 HydrophobicContact CZ-CG 4.22Å |
| 106 | H | 96.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -44 | 178.5 | -171.9 | 83.9 | 0 | 0 | 0 | 112.1 | W102 K103 I108 G109 T110 K252 E253 | W102-H106 WeakPolarHBondContact O-CB 3.37Å; W102-H106 PolarHBondContact O-N 3.28Å; K103-H106 CarbonylContact O-C 3.51Å; K103-H106 WeakPolarHBondContact O-CA 3.38Å; K103-H106 WeakPolarHBondContact O-CB 3.31Å; K103-H106 PolarHBondContact O-N 3.07Å; H106-I108 PolarHBondContact O-N 2.96Å; H106-I108 VanDerWaalsContact O-N 3.12Å; H106-G109 PolarHBondContact O-N 3.08Å; H106-T110 PolarHBondContact N-OG1 2.81Å; H106-K252 PolarHBondContact CE1-O 2.64Å; H106-K252 PolarHBondContact ND1-O 2.93Å; H106-E253 HydrophobicContact CB-CB 4.33Å |
| 107 | D | 96.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29 | 177.7 | -57.8 | -28.7 | 0 | 0 | 0 | 112.9 | K103 | K103-D107 PolarHBondContact O-N 3.15Å; K103-D107 VanDerWaalsContact O-OD2 3.13Å |
| 108 | I | 95.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -11.6 | -178.9 | -55 | 176.1 | 0 | 0 | 0 | 111.2 | R104 F105 H106 N264 Q266 I267 L270 | R104-I108 WeakPolarHBondContact O-CD1 3.48Å; R104-I108 WeakPolarHBondContact O-CG1 3.11Å; F105-I108 PolarHBondContact O-N 2.7Å; H106-I108 PolarHBondContact O-N 2.96Å; H106-I108 VanDerWaalsContact O-N 3.12Å; I108-N264 VanDerWaalsContact CG2-ND2 3.31Å; I108-N264 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N264 PolarHBondContact O-ND2 3.37Å; I108-Q266 HydrophobicContact CG2-CB 3.68Å; I108-I267 HydrophobicContact CB-CD1 3.67Å; I108-I267 HydrophobicContact CB-CG1 4.49Å; I108-I267 HydrophobicContact CG2-CD1 3.47Å; I108-I267 VanDerWaalsContact CG2-CD1 3.47Å; I108-I267 HydrophobicContact CG2-CG1 3.74Å; I108-L270 HydrophobicContact CD1-CD2 3.95Å |
| 109 | G | 95.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 54 Ų | 54 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | trans | 84.9 | 90.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F105 H106 E111 I267 | F105-G109 CarbonylContact O-C 3.51Å; F105-G109 PolarHBondContact O-N 2.92Å; F105-G109 VanDerWaalsContact O-N 3.1Å; H106-G109 PolarHBondContact O-N 3.08Å; G109-E111 PolarHBondContact O-N 3.34Å; G109-I267 VanDerWaalsContact O-CD1 3.29Å; G109-I267 WeakPolarHBondContact O-CD1 3.5Å | ||
| 110 | T | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | trans | -54.6 | 123.6 | -175.7 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | W102 F105 H106 M112 E255 F256 T257 | W102-T110 HydrophobicContact CZ3-CG2 4.33Å; F105-T110 VanDerWaalsContact C-OG1 3.23Å; F105-T110 HydrophobicContact CB-CG2 4.1Å; F105-T110 PolarHBondContact O-N 3.35Å; F105-T110 PolarHBondContact O-OG1 2.98Å; H106-T110 PolarHBondContact N-OG1 2.81Å; T110-M112 HydrophobicContact CG2-CE 4.06Å; T110-E255 WeakPolarHBondContact CB-O 3.48Å; T110-E255 PolarHBondContact OG1-O 2.62Å; T110-F256 HydrophobicContact CG2-CB 3.67Å; T110-F256 CarbonylContact O-C 3.55Å; T110-F256 VanDerWaalsContact O-CA 3.24Å; T110-F256 WeakPolarHBondContact O-CA 3.16Å; T110-F256 WeakPolarHBondContact O-CB 3.45Å; T110-T257 PolarHBondContact O-N 3.26Å | ||
| 111 | E | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.8 | 169.6 | -59.8 | 179.3 | -162.5 | 0 | 0 | 111.9 | G109 W161 T257 V259 Y262 Q263 N264 I267 K271 | G109-E111 PolarHBondContact O-N 3.34Å; E111-W161 HydrophobicContact CG-CZ2 4.01Å; E111-T257 WeakPolarHBondContact CA-O 3.31Å; E111-V259 HydrophobicContact CB-CG2 4.04Å; E111-Y262 HydrophobicContact CB-CD1 3.93Å; E111-Y262 HydrophobicContact CB-CE1 4.24Å; E111-Y262 WeakPolarHBondContact OE2-CA 3.38Å; E111-Y262 WeakPolarHBondContact OE2-CD1 3.44Å; E111-Q263 PolarHBondContact OE1-N 3.33Å; E111-Q263 PolarHBondContact OE2-N 3.17Å; E111-N264 WeakPolarHBondContact OE1-CB 3.27Å; E111-N264 PolarHBondContact OE1-N 3.38Å; E111-I267 HydrophobicContact CB-CG2 4.08Å; E111-I267 HydrophobicContact CG-CG1 4.31Å; E111-I267 HydrophobicContact CG-CG2 4.45Å; E111-K271 WeakPolarHBondContact O-CE 3.41Å; E111-K271 PolarHBondContact O-NZ 2.86Å |
| 112 | M | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.9 | 172.8 | -67.3 | -63.7 | -173.5 | 0 | 0 | 111.2 | W102 T110 M121 L201 F256 T257 V259 | W102-M112 HydrophobicContact CH2-CE 3.54Å; W102-M112 HydrophobicContact CZ3-CE 3.76Å; T110-M112 HydrophobicContact CG2-CE 4.06Å; M112-M121 HydrophobicContact CE-CB 4.14Å; M112-M121 HydrophobicContact SD-CB 4.12Å; M112-M121 HydrophobicContact SD-CG 4.41Å; M112-L201 HydrophobicContact CB-CD1 4.04Å; M112-F256 HydrophobicContact CB-CD2 3.64Å; M112-F256 HydrophobicContact CB-CE2 3.9Å; M112-F256 HydrophobicContact CB-CG 4.19Å; M112-F256 HydrophobicContact CE-CD1 4.43Å; M112-F256 HydrophobicContact CG-CB 3.86Å; M112-F256 HydrophobicContact CG-CD1 3.92Å; M112-F256 HydrophobicContact CG-CD2 3.48Å; M112-F256 VanDerWaalsContact CG-CD2 3.48Å; M112-F256 HydrophobicContact CG-CE1 4.32Å; M112-F256 HydrophobicContact CG-CE2 3.91Å; M112-F256 HydrophobicContact CG-CG 3.49Å; M112-F256 VanDerWaalsContact CG-CG 3.49Å; M112-F256 HydrophobicContact CG-CZ 4.32Å; M112-T257 PolarHBondContact N-O 3.08Å; M112-V259 PolarHBondContact O-N 2.76Å |
| 113 | I | 98 | Very high | 96.8 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.7 | 178.1 | -63.8 | -78.7 | 0 | 0 | 0 | 110 | T115 R119 V259 Y262 | I113-T115 HydrophobicContact CG2-CG2 3.91Å; I113-R119 HydrophobicContact CB-CG 4.17Å; I113-R119 HydrophobicContact CG2-CG 4.03Å; I113-R119 WeakPolarHBondContact O-CB 3.43Å; I113-R119 WeakPolarHBondContact O-CG 3.42Å; I113-V259 CarbonylContact C-O 3.4Å; I113-V259 VanDerWaalsContact CA-O 3.27Å; I113-V259 WeakPolarHBondContact CA-O 3.49Å; I113-V259 HydrophobicContact CD1-CG2 4.01Å; I113-Y262 HydrophobicContact CD1-CD1 3.99Å; I113-Y262 HydrophobicContact CD1-CD2 4.13Å; I113-Y262 HydrophobicContact CD1-CE1 4.01Å; I113-Y262 HydrophobicContact CD1-CE2 4.15Å; I113-Y262 HydrophobicContact CD1-CG 4.05Å; I113-Y262 HydrophobicContact CG1-CD1 4.1Å; I113-Y262 HydrophobicContact CG1-CD2 4.37Å; I113-Y262 HydrophobicContact CG1-CE1 3.58Å; I113-Y262 HydrophobicContact CG1-CE2 3.89Å; I113-Y262 HydrophobicContact CG1-CG 4.46Å; I113-Y262 VanDerWaalsContact CG1-CZ 3.46Å |
| 114 | I | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -113.3 | 141.1 | 171.5 | 65.5 | 174.4 | 0 | 0 | 0 | 110.9 | L201 N203 L214 T258 V259 | I114-L201 HydrophobicContact CG2-CB 3.73Å; I114-L201 HydrophobicContact CG2-CD1 4.35Å; I114-N203 HydrophobicContact CB-CB 4.48Å; I114-N203 HydrophobicContact CD1-CB 3.63Å; I114-N203 HydrophobicContact CG1-CB 3.94Å; I114-L214 WeakPolarHBondContact CD1-O 3.27Å; I114-T258 HydrophobicContact CG2-CG2 3.94Å; I114-V259 PolarHBondContact N-O 3Å | ||
| 115 | T | 97 | Very high | 96.8 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | trans | -146 | 155.9 | -179.5 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | I113 A117 G118 R119 T202 N203 | I113-T115 HydrophobicContact CG2-CG2 3.91Å; T115-A117 PolarHBondContact O-N 3.12Å; T115-G118 PolarHBondContact O-N 3.21Å; T115-R119 HydrophobicContact CG2-CB 4.34Å; T115-T202 WeakPolarHBondContact O-CA 3.3Å; T115-T202 PolarHBondContact O-OG1 2.69Å; T115-T202 VanDerWaalsContact O-OG1 3.09Å; T115-N203 WeakPolarHBondContact CA-OD1 3.2Å | ||
| 116 | K | 94.9 | Very high | 96.8 | Very high | 155 Ų | 155 | 48.8 Ų | 48.8 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -25 | -179.2 | -175.3 | 172.3 | -175.9 | 176.9 | 0 | 114.6 | N203 N204 | K116-N203 PolarHBondContact N-OD1 2.81Å; K116-N204 HydrophobicContact CG-CB 4.17Å |
| 117 | A | 95.5 | Very high | 96.8 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 60% | 0.595 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T115 K200 H211 | T115-A117 PolarHBondContact O-N 3.12Å; A117-K200 PolarHBondContact O-NZ 3.48Å; A117-H211 PolarHBondContact O-CE1 2.81Å |
| 118 | G | 96.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | trans | 75.6 | 121.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | T115 K200 L201 | T115-G118 PolarHBondContact O-N 3.21Å; G118-K200 WeakPolarHBondContact O-CD 3.37Å; G118-K200 VanDerWaalsContact O-CE 3.28Å; G118-K200 WeakPolarHBondContact O-CE 3.43Å; G118-L201 WeakPolarHBondContact CA-O 3.48Å | ||
| 119 | R | 97.4 | Very high | 96.8 | Very high | 132 Ų | 132 | 40.8 Ų | 40.8 | 50% | 0.498 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.2 | -179.6 | -175.5 | 68.3 | 177 | -170.7 | -1.4 | 110.7 | I113 T115 K200 L201 | I113-R119 HydrophobicContact CB-CG 4.17Å; I113-R119 HydrophobicContact CG2-CG 4.03Å; I113-R119 WeakPolarHBondContact O-CB 3.43Å; I113-R119 WeakPolarHBondContact O-CG 3.42Å; T115-R119 HydrophobicContact CG2-CB 4.34Å; R119-K200 CarbonylContact O-C 3.6Å; R119-K200 VanDerWaalsContact O-CA 3.3Å; R119-K200 WeakPolarHBondContact O-CA 3.41Å; R119-L201 PolarHBondContact N-O 2.75Å; R119-L201 PolarHBondContact O-N 3.44Å |
| 120 | R | 97 | Very high | 96.8 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 142.8 | 174.7 | -68.2 | 173.8 | 173 | -131.5 | 11.1 | 111 | D197 M199 K200 | R120-D197 WeakPolarHBondContact CD-O 3.23Å; R120-D197 WeakPolarHBondContact CG-O 3.45Å; R120-D197 IonicContact CZ-OD2 3.63Å; R120-D197 PolarHBondContact NE-O 2.87Å; R120-D197 PolarHBondContact NH1-O 2.97Å; R120-D197 IonicContact NH1-OD2 3.53Å; R120-D197 PolarHBondContact NH1-OD2 2.8Å; R120-M199 WeakPolarHBondContact CA-O 3.35Å; R120-K200 HydrophobicContact CG-CG 4.12Å |
| 121 | M | 96.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | trans | -66.4 | 149.6 | 173.7 | -64 | -171.7 | -64.5 | 0 | 0 | 111.6 | M112 P123 V125 M199 L201 F256 | M112-M121 HydrophobicContact CE-CB 4.14Å; M112-M121 HydrophobicContact SD-CB 4.12Å; M112-M121 HydrophobicContact SD-CG 4.41Å; M121-P123 CarbonylContact C-O 3.58Å; M121-V125 HydrophobicContact CE-CB 4.43Å; M121-V125 HydrophobicContact CE-CG2 3.82Å; M121-M199 HydrophobicContact CE-CE 3.48Å; M121-M199 VanDerWaalsContact CE-CE 3.48Å; M121-M199 HydrophobicContact CE-CG 4.43Å; M121-M199 HydrophobicContact CE-SD 3.55Å; M121-M199 VanDerWaalsContact CE-SD 3.55Å; M121-M199 HydrophobicContact SD-CE 3.77Å; M121-L201 HydrophobicContact CG-CD1 3.74Å; M121-L201 HydrophobicContact CG-CD2 4.49Å; M121-L201 HydrophobicContact CG-CG 3.94Å; M121-L201 HydrophobicContact SD-CD1 4.17Å; M121-L201 HydrophobicContact SD-CD2 4.45Å; M121-L201 HydrophobicContact SD-CG 4.46Å; M121-F256 HydrophobicContact SD-CE1 4.22Å; M121-F256 HydrophobicContact SD-CZ 4.47Å | ||
| 122 | F | 97.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 45 Ų | 45 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -143.1 | 121.5 | 165 | -176.4 | -90.4 | 0 | 0 | 0 | 110.5 | L101 F105 K271 R274 N275 | L101-F122 HydrophobicContact CD2-CZ 4.32Å; F105-F122 HydrophobicContact CE2-CD1 4.37Å; F105-F122 AromaticContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CZ-CD1 4.26Å; F105-F122 AromaticContact CZ-CE1 3.96Å; F105-F122 HydrophobicContact CZ-CE1 3.96Å; F122-K271 HydrophobicContact CD1-CD 3.86Å; F122-K271 PolarHBondContact O-NZ 3.16Å; F122-R274 HydrophobicContact CE1-CB 4.08Å; F122-R274 VanDerWaalsContact CZ-C 3.46Å; F122-R274 HydrophobicContact CZ-CB 4.03Å; F122-R274 WeakPolarHBondContact CZ-O 3.37Å; F122-N275 HydrophobicContact CD1-CB 3.87Å; F122-N275 HydrophobicContact CD2-CB 3.98Å; F122-N275 HydrophobicContact CE1-CB 3.76Å; F122-N275 HydrophobicContact CE2-CB 3.88Å; F122-N275 HydrophobicContact CG-CB 3.99Å; F122-N275 VanDerWaalsContact CZ-CA 3.43Å; F122-N275 HydrophobicContact CZ-CB 3.78Å |
| 123 | P | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | S | Bend | cis | -61.2 | 159.3 | -1.2 | -18.7 | 32.4 | 0 | 0 | 0 | 112.5 | L101 W102 F105 M121 | L101-P123 HydrophobicContact CD2-CB 4.22Å; L101-P123 HydrophobicContact CD2-CG 3.93Å; L101-P123 HydrophobicContact CG-CG 3.9Å; W102-P123 HydrophobicContact CD2-CB 4.28Å; W102-P123 HydrophobicContact CD2-CG 4.18Å; W102-P123 HydrophobicContact CZ2-CB 3.9Å; W102-P123 HydrophobicContact CZ2-CG 4.45Å; W102-P123 WeakPolarHBondContact CZ2-O 3.24Å; F105-P123 HydrophobicContact CD2-CG 3.56Å; F105-P123 HydrophobicContact CE2-CG 3.7Å; M121-P123 CarbonylContact C-O 3.58Å |
| 124 | S | 96.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 144.2 | 168.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | R126 | S124-R126 PolarHBondContact O-N 3.4Š|
| 125 | V | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 123.3 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 107 | W102 M121 V127 I142 F196 P222 V224 | W102-V125 HydrophobicContact CH2-CG2 4.17Å; W102-V125 HydrophobicContact CZ2-CG2 3.82Å; M121-V125 HydrophobicContact CE-CB 4.43Å; M121-V125 HydrophobicContact CE-CG2 3.82Å; V125-V127 HydrophobicContact CG1-CG1 4.28Å; V125-I142 HydrophobicContact CB-CD1 3.9Å; V125-I142 HydrophobicContact CG1-CD1 3.94Å; V125-I142 HydrophobicContact CG2-CD1 4.02Å; V125-F196 HydrophobicContact CB-CB 4.41Å; V125-F196 HydrophobicContact CB-CD2 4.12Å; V125-F196 HydrophobicContact CG1-CD2 3.98Å; V125-F196 PolarHBondContact O-N 2.81Å; V125-P222 HydrophobicContact CG2-CB 4.41Å; V125-P222 HydrophobicContact CG2-CG 4.15Å; V125-V224 HydrophobicContact CG1-CG2 4.04Å |
| 126 | R | 97 | Very high | 95.2 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 129 | -179.4 | -66.3 | 177.6 | 68 | -140.2 | 1.1 | 108 | Q97 S124 I193 I194 | Q97-R126 HydrophobicContact CB-CB 4Å; Q97-R126 PolarHBondContact N-O 2.67Å; S124-R126 PolarHBondContact O-N 3.4Å; R126-I193 HydrophobicContact CB-CG2 4.02Å; R126-I194 VanDerWaalsContact CA-O 3.26Å; R126-I194 WeakPolarHBondContact CA-O 3.34Å |
| 127 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.2 | -173.8 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | M94 E95 V125 I194 F196 V224 F251 | M94-V127 HydrophobicContact CE-CG2 4.37Å; M94-V127 HydrophobicContact CG-CB 3.73Å; M94-V127 HydrophobicContact CG-CG1 4.03Å; M94-V127 HydrophobicContact CG-CG2 4.22Å; M94-V127 HydrophobicContact SD-CB 3.85Å; M94-V127 HydrophobicContact SD-CG1 3.79Å; M94-V127 HydrophobicContact SD-CG2 3.88Å; E95-V127 WeakPolarHBondContact O-CA 3.5Å; V125-V127 HydrophobicContact CG1-CG1 4.28Å; V127-I194 HydrophobicContact CG2-CB 3.93Å; V127-I194 HydrophobicContact CG2-CD1 4.46Å; V127-I194 PolarHBondContact N-O 3.39Å; V127-I194 PolarHBondContact O-N 3.09Å; V127-F196 HydrophobicContact CG2-CE2 4.4Å; V127-V224 HydrophobicContact CG1-CG2 4.34Å; V127-V224 HydrophobicContact CG2-CG1 4.38Å; V127-F251 HydrophobicContact CG1-CE2 4.06Å |
| 128 | K | 96.8 | Very high | 94.9 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.7 | 167.5 | -175.4 | 174.8 | -177 | 175.9 | 0 | 108.2 | M94 E95 Q97 | M94-K128 WeakPolarHBondContact CA-O 3.41Å; E95-K128 HydrophobicContact CB-CB 4.45Å; E95-K128 PolarHBondContact N-O 2.94Å; E95-K128 PolarHBondContact O-N 2.75Å; Q97-K128 HydrophobicContact CG-CB 4.16Å |
| 129 | V | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.6 | -179.9 | -164.7 | 0 | 0 | 0 | 0 | 109.5 | I92 Q93 M94 L132 I194 | I92-V129 HydrophobicContact CG2-CG1 3.79Å; Q93-V129 CarbonylContact O-C 3.54Å; Q93-V129 WeakPolarHBondContact O-CA 3.46Å; M94-V129 HydrophobicContact CE-CG2 3.87Å; M94-V129 HydrophobicContact CG-CG2 4.4Å; V129-L132 HydrophobicContact CB-CD1 4.32Å; V129-L132 HydrophobicContact CG1-CD1 3.93Å; V129-L132 HydrophobicContact CG1-CD2 3.85Å; V129-L132 HydrophobicContact CG1-CG 3.79Å; V129-I194 HydrophobicContact CG2-CD1 3.75Å |
| 130 | K | 95.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 43 Ų | 43 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.1 | 175.9 | -53.9 | 170.6 | -165.6 | 161 | 0 | 108.7 | I92 Q93 E95 | I92-K130 CarbonylContact C-O 3.55Å; I92-K130 WeakPolarHBondContact CA-O 3.41Å; Q93-K130 HydrophobicContact CB-CB 4.37Å; Q93-K130 PolarHBondContact N-O 3.17Å; Q93-K130 PolarHBondContact O-N 3.1Å; E95-K130 VanDerWaalsContact OE2-CE 3.31Å; E95-K130 WeakPolarHBondContact OE2-CE 3.49Å; E95-K130 IonicContact OE2-NZ 3.56Å; E95-K130 PolarHBondContact OE2-NZ 2.82Å |
| 131 | G | 93.2 | Very high | 94.5 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 84.2 | 6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I92 M190 | I92-G131 WeakPolarHBondContact CG1-O 3.31Å; G131-M190 PolarHBondContact N-SD 3.07Å; G131-M190 VanDerWaalsContact N-SD 3.39Å |
| 132 | L | 92.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -68.1 | 151.3 | 169.9 | -55.4 | -178.6 | 0 | 0 | 0 | 110.5 | I92 V129 P134 Y138 W189 M190 V226 | I92-L132 HydrophobicContact CD1-CD2 3.68Å; I92-L132 HydrophobicContact CG1-CD2 4.02Å; I92-L132 HydrophobicContact CG2-CD2 3.66Å; V129-L132 HydrophobicContact CB-CD1 4.32Å; V129-L132 HydrophobicContact CG1-CD1 3.93Å; V129-L132 HydrophobicContact CG1-CD2 3.85Å; V129-L132 HydrophobicContact CG1-CG 3.79Å; L132-P134 WeakPolarHBondContact O-CD 3.43Å; L132-Y138 HydrophobicContact CB-CD2 4.36Å; L132-Y138 HydrophobicContact CB-CE2 3.91Å; L132-Y138 HydrophobicContact CD1-CD2 4.27Å; L132-Y138 HydrophobicContact CD2-CE1 4.41Å; L132-Y138 HydrophobicContact CD2-CE2 4.44Å; L132-W189 HydrophobicContact CD1-CB 3.64Å; L132-W189 HydrophobicContact CD1-CG 4.34Å; L132-M190 HydrophobicContact CB-CE 4.08Å; L132-M190 HydrophobicContact CB-CG 4.19Å; L132-M190 HydrophobicContact CB-SD 4.02Å; L132-M190 HydrophobicContact CD1-CG 4.22Å; L132-M190 HydrophobicContact CG-CG 4.19Å; L132-M190 HydrophobicContact CG-SD 4.46Å; L132-M190 PolarHBondContact N-SD 3.05Å; L132-M190 WeakPolarHBondContact O-CE 3.4Å; L132-V226 HydrophobicContact CD2-CG1 3.85Å | ||
| 133 | D | 92.3 | Very high | 94.2 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | trans | -69.4 | 121.5 | 168.8 | -174.1 | -26.7 | 0 | 0 | 0 | 109.6 | G135 K136 Y138 G186 | D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.1Å; D133-K136 HydrophobicContact CB-CB 4.07Å; D133-K136 HydrophobicContact CB-CD 3.91Å; D133-K136 HydrophobicContact CB-CG 3.88Å; D133-K136 PolarHBondContact O-N 3.34Å; D133-K136 VanDerWaalsContact OD2-CE 3.31Å; D133-K136 WeakPolarHBondContact OD2-CE 3.38Å; D133-K136 WeakPolarHBondContact OD2-CG 3.33Å; D133-Y138 PolarHBondContact N-OH 2.85Å; D133-G186 WeakPolarHBondContact O-CA 3.5Å | ||
| 134 | P | 93.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 36 Ų | 36 | 48% | 0.481 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32.8 | 177.7 | -26.2 | 36.4 | 0 | 0 | 0 | 114.3 | L132 E187 M190 | L132-P134 WeakPolarHBondContact O-CD 3.43Å; P134-E187 HydrophobicContact CB-CB 4.04Å; P134-E187 HydrophobicContact CB-CG 4.27Å; P134-M190 HydrophobicContact CG-CE 4.27Å |
| 135 | G | 90.6 | Very high | 94 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 67% | 0.67 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -20.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D133 | D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.1Å |
| 136 | K | 91 | Very high | 93.8 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89.8 | 154.5 | -177.6 | -63.9 | -175.4 | -174.8 | -177.5 | 0 | 112.6 | D133 Y138 S185 G186 E228 | D133-K136 HydrophobicContact CB-CB 4.07Å; D133-K136 HydrophobicContact CB-CD 3.91Å; D133-K136 HydrophobicContact CB-CG 3.88Å; D133-K136 PolarHBondContact O-N 3.34Å; D133-K136 VanDerWaalsContact OD2-CE 3.31Å; D133-K136 WeakPolarHBondContact OD2-CE 3.38Å; D133-K136 WeakPolarHBondContact OD2-CG 3.33Å; K136-Y138 HydrophobicContact CB-CE2 3.81Å; K136-S185 CarbonylContact O-C 3.55Å; K136-S185 VanDerWaalsContact O-CA 3.31Å; K136-S185 WeakPolarHBondContact O-CA 3.27Å; K136-G186 PolarHBondContact O-N 3Å; K136-E228 HydrophobicContact CD-CG 4.1Å; K136-E228 VanDerWaalsContact CD-OE1 3.23Å; K136-E228 WeakPolarHBondContact CD-OE1 3.43Å; K136-E228 WeakPolarHBondContact CD-OE2 3.33Å; K136-E228 WeakPolarHBondContact CE-OE1 3.33Å; K136-E228 IonicContact NZ-OE1 3.2Å; K136-E228 PolarHBondContact NZ-OE1 2.93Å; K136-E228 IonicContact NZ-OE2 3.62Å |
| 137 | Q | 92 | Very high | 93.6 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 139.9 | 172.1 | -60.4 | -62 | -40.8 | 0 | 0 | 110.1 | C184 S185 Q229 | Q137-C184 PolarHBondContact OE1-O 3.33Å; Q137-S185 VanDerWaalsContact OE1-N 3.1Å; Q137-Q229 HydrophobicContact CB-CB 3.91Å; Q137-Q229 VanDerWaalsContact CB-OE1 3.23Å; Q137-Q229 WeakPolarHBondContact O-CB 3.5Å; Q137-Q229 PolarHBondContact O-N 2.94Å |
| 138 | Y | 92.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.7 | 177.3 | -64.7 | -85.5 | 0 | 0 | 0 | 110.8 | L132 D133 K136 C184 W189 V226 I227 E228 | L132-Y138 HydrophobicContact CB-CD2 4.36Å; L132-Y138 HydrophobicContact CB-CE2 3.91Å; L132-Y138 HydrophobicContact CD1-CD2 4.27Å; L132-Y138 HydrophobicContact CD2-CE1 4.41Å; L132-Y138 HydrophobicContact CD2-CE2 4.44Å; D133-Y138 PolarHBondContact N-OH 2.85Å; K136-Y138 HydrophobicContact CB-CE2 3.81Å; Y138-C184 PolarHBondContact N-O 3.45Å; Y138-C184 PolarHBondContact O-N 3.2Å; Y138-W189 PolarHBondContact O-NE1 2.82Å; Y138-V226 HydrophobicContact CD1-CG1 3.63Å; Y138-V226 HydrophobicContact CE1-CG1 4.37Å; Y138-V226 HydrophobicContact CG-CG1 4.13Å; Y138-I227 CarbonylContact C-O 3.55Å; Y138-I227 VanDerWaalsContact CA-O 3.3Å; Y138-I227 WeakPolarHBondContact CA-O 3.45Å; Y138-E228 HydrophobicContact CD1-CB 4.01Å; Y138-E228 HydrophobicContact CD1-CG 4.2Å; Y138-E228 HydrophobicContact CE1-CB 3.69Å; Y138-E228 HydrophobicContact CE1-CG 3.62Å; Y138-E228 WeakPolarHBondContact CE1-OE2 3.26Å; Y138-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y138-E228 PolarHBondContact OH-OE2 3.22Å |
| 139 | Y | 92.6 | Very high | 93.1 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.6 | 162.9 | -67.9 | -107.2 | 0 | 0 | 0 | 109.1 | V178 P183 I227 Q229 L235 | Y139-V178 HydrophobicContact CD1-CG1 4.47Å; Y139-P183 HydrophobicContact CD1-CB 4.4Å; Y139-P183 HydrophobicContact CD2-CB 4.05Å; Y139-P183 HydrophobicContact CE1-CB 4.09Å; Y139-P183 HydrophobicContact CE1-CG 4.22Å; Y139-P183 HydrophobicContact CE2-CB 3.73Å; Y139-P183 HydrophobicContact CE2-CG 4.31Å; Y139-P183 HydrophobicContact CG-CB 4.38Å; Y139-I227 PolarHBondContact N-O 2.84Å; Y139-I227 PolarHBondContact O-N 2.84Å; Y139-Q229 HydrophobicContact CD2-CB 4.21Å; Y139-Q229 HydrophobicContact CE2-CB 3.94Å; Y139-Q229 HydrophobicContact CE2-CG 3.81Å; Y139-L235 HydrophobicContact CD1-CB 4.17Å; Y139-L235 HydrophobicContact CD1-CD1 4.05Å; Y139-L235 HydrophobicContact CD2-CD1 3.41Å; Y139-L235 VanDerWaalsContact CD2-CD1 3.41Å; Y139-L235 HydrophobicContact CE1-CB 4.11Å; Y139-L235 HydrophobicContact CE1-CD1 4.46Å; Y139-L235 HydrophobicContact CE2-CD1 3.87Å; Y139-L235 HydrophobicContact CG-CB 4.47Å; Y139-L235 HydrophobicContact CG-CD1 3.5Å; Y139-L235 VanDerWaalsContact CG-CD1 3.5Å |
| 140 | V | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.4 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | H179 S182 W189 I194 F196 V224 H225 | V140-H179 HydrophobicContact CB-CB 4.49Å; V140-H179 WeakPolarHBondContact O-CB 3.1Å; V140-H179 PolarHBondContact O-N 2.96Å; V140-S182 PolarHBondContact N-OG 2.93Å; V140-S182 PolarHBondContact O-OG 3.37Å; V140-W189 HydrophobicContact CB-CH2 4.02Å; V140-W189 HydrophobicContact CB-CZ2 4.01Å; V140-W189 HydrophobicContact CB-CZ3 4.35Å; V140-W189 HydrophobicContact CG2-CD2 3.8Å; V140-W189 HydrophobicContact CG2-CE3 4.17Å; V140-W189 HydrophobicContact CG2-CG 4.28Å; V140-W189 HydrophobicContact CG2-CH2 4.17Å; V140-W189 HydrophobicContact CG2-CZ2 3.8Å; V140-W189 HydrophobicContact CG2-CZ3 4.35Å; V140-I194 HydrophobicContact CB-CD1 4.43Å; V140-I194 HydrophobicContact CG1-CD1 3.98Å; V140-I194 HydrophobicContact CG1-CG2 4.18Å; V140-I194 HydrophobicContact CG2-CD1 4.1Å; V140-F196 HydrophobicContact CG1-CZ 3.99Å; V140-V224 HydrophobicContact CG1-CG1 4.18Å; V140-H225 WeakPolarHBondContact CA-O 3.43Å |
| 141 | A | 94.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 164.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F176 Y177 V224 H225 | A141-F176 HydrophobicContact CB-CD2 4.18Å; A141-Y177 CarbonylContact C-O 3.53Å; A141-Y177 VanDerWaalsContact CA-O 3.31Å; A141-Y177 WeakPolarHBondContact CA-O 3.35Å; A141-V224 WeakPolarHBondContact O-CA 3.3Å; A141-V224 WeakPolarHBondContact O-CG1 3.44Å; A141-H225 PolarHBondContact N-O 3.3Å; A141-H225 PolarHBondContact O-N 3.43Å |
| 142 | I | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.8 | 175.1 | -173.8 | 170.8 | 0 | 0 | 0 | 110.1 | V125 F176 Y177 F196 M199 P222 R223 V224 | V125-I142 HydrophobicContact CB-CD1 3.9Å; V125-I142 HydrophobicContact CG1-CD1 3.94Å; V125-I142 HydrophobicContact CG2-CD1 4.02Å; I142-F176 CarbonylContact O-C 3.56Å; I142-F176 WeakPolarHBondContact O-CA 3.4Å; I142-Y177 HydrophobicContact CG2-CD1 3.92Å; I142-Y177 HydrophobicContact CG2-CG 4.39Å; I142-Y177 PolarHBondContact N-O 3.47Å; I142-Y177 PolarHBondContact O-N 3.25Å; I142-F196 HydrophobicContact CB-CD1 4.02Å; I142-F196 HydrophobicContact CB-CD2 4.41Å; I142-F196 HydrophobicContact CB-CE1 3.8Å; I142-F196 HydrophobicContact CB-CE2 4.21Å; I142-F196 HydrophobicContact CB-CG 4.3Å; I142-F196 HydrophobicContact CB-CZ 3.88Å; I142-F196 HydrophobicContact CD1-CB 4.29Å; I142-F196 HydrophobicContact CD1-CD2 3.85Å; I142-F196 HydrophobicContact CD1-CE2 4.26Å; I142-F196 HydrophobicContact CD1-CG 3.99Å; I142-F196 HydrophobicContact CG2-CB 4.46Å; I142-F196 HydrophobicContact CG2-CD1 3.41Å; I142-F196 VanDerWaalsContact CG2-CD1 3.41Å; I142-F196 HydrophobicContact CG2-CD2 4.48Å; I142-F196 HydrophobicContact CG2-CE1 3.56Å; I142-F196 HydrophobicContact CG2-CG 3.89Å; I142-F196 HydrophobicContact CG2-CZ 4.17Å; I142-M199 HydrophobicContact CD1-SD 4.01Å; I142-M199 HydrophobicContact CG1-SD 4.33Å; I142-M199 HydrophobicContact CG2-SD 3.47Å; I142-M199 WeakPolarHBondContact CG2-SD 3.14Å; I142-P222 HydrophobicContact CD1-CB 4.04Å; I142-P222 HydrophobicContact CG1-CB 4.26Å; I142-R223 CarbonylContact C-O 3.54Å; I142-R223 VanDerWaalsContact CA-O 3.27Å; I142-R223 WeakPolarHBondContact CA-O 3.22Å; I142-R223 WeakPolarHBondContact CG1-O 3.4Å; I142-V224 HydrophobicContact CD1-CG2 4.19Å; I142-V224 HydrophobicContact CG1-CG2 4.23Å |
| 143 | D | 93.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 175.5 | 167.9 | 91.2 | 5.3 | 0 | 0 | 0 | 111 | V145 F176 P222 R223 H225 | D143-V145 WeakPolarHBondContact OD2-CG1 3.43Å; D143-F176 HydrophobicContact CB-CB 4.44Å; D143-P222 VanDerWaalsContact O-CA 3.31Å; D143-P222 WeakPolarHBondContact O-CA 3.34Å; D143-R223 PolarHBondContact N-O 3.19Å; D143-R223 PolarHBondContact O-N 2.68Å; D143-R223 VanDerWaalsContact OD1-CB 3.22Å; D143-R223 WeakPolarHBondContact OD1-CB 3.43Å; D143-R223 VanDerWaalsContact OD1-CD 3.3Å; D143-R223 WeakPolarHBondContact OD1-CD 3.47Å; D143-R223 WeakPolarHBondContact OD1-CG 3.42Å; D143-R223 PolarHBondContact OD1-N 2.95Å; D143-R223 IonicContact OD2-CZ 3.97Å; D143-R223 IonicContact OD2-NE 3.76Å; D143-R223 IonicContact OD2-NH1 2.67Å; D143-R223 PolarHBondContact OD2-NH1 2.93Å; D143-H225 IonicContact OD1-NE2 3.88Å; D143-H225 IonicContact OD2-CE1 3.51Å; D143-H225 IonicContact OD2-NE2 3.76Å; D143-H225 PolarHBondContact OD2-NE2 3.42Å |
| 144 | V | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 109.2 | 166.7 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | M199 L201 I212 L214 Y220 P222 F256 | V144-M199 HydrophobicContact CG2-CE 3.54Å; V144-L201 HydrophobicContact CG2-CD2 4.45Å; V144-I212 HydrophobicContact CB-CG2 4.04Å; V144-I212 HydrophobicContact CG2-CD1 4.43Å; V144-I212 HydrophobicContact CG2-CG2 4.04Å; V144-L214 HydrophobicContact CB-CD2 4.1Å; V144-L214 HydrophobicContact CG1-CD1 4.04Å; V144-L214 HydrophobicContact CG1-CD2 3.7Å; V144-Y220 HydrophobicContact CG1-CD1 3.95Å; V144-Y220 HydrophobicContact CG1-CG 4Å; V144-P222 HydrophobicContact CG2-CB 4.44Å; V144-F256 HydrophobicContact CG1-CZ 4.01Å |
| 145 | V | 92.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 45 Ų | 45 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 148.5 | 178.9 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | D143 Y220 K221 R223 | D143-V145 WeakPolarHBondContact OD2-CG1 3.43Å; V145-Y220 CarbonylContact O-C 3.55Å; V145-Y220 VanDerWaalsContact O-CA 3.27Å; V145-Y220 WeakPolarHBondContact O-CA 3.33Å; V145-Y220 WeakPolarHBondContact O-CD1 3.27Å; V145-K221 HydrophobicContact CG2-CB 4.37Å; V145-K221 WeakPolarHBondContact CG2-O 3.45Å; V145-K221 PolarHBondContact N-O 2.9Å; V145-K221 PolarHBondContact O-N 3.01Å; V145-R223 HydrophobicContact CG2-CG 4.14Å |
| 146 | P | 93.4 | Very high | 93.8 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 146.3 | 169.5 | 28.4 | -34.2 | 0 | 0 | 0 | 110.8 | H169 K219 Y220 | P146-H169 HydrophobicContact CG-CB 4.39Å; P146-K219 WeakPolarHBondContact CA-O 3.22Å; P146-Y220 HydrophobicContact CB-CD1 4.22Å; P146-Y220 HydrophobicContact CB-CE1 4.07Å |
| 147 | V | 93.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.9 | -34.4 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | K219 K221 E255 | V147-K219 HydrophobicContact CB-CB 3.96Å; V147-K219 HydrophobicContact CG2-CB 4.33Å; V147-K219 PolarHBondContact N-O 3.2Å; V147-K221 HydrophobicContact CG2-CB 3.89Å; V147-E255 HydrophobicContact CG2-CG 4.27Å |
| 148 | D | 92.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | trans | -148.9 | 170.1 | 174.1 | 60 | 30.2 | 0 | 0 | 0 | 110.2 | K150 Y152 H169 | D148-K150 HydrophobicContact CB-CD 4.38Å; D148-K150 HydrophobicContact CB-CG 4.31Å; D148-K150 PolarHBondContact O-N 2.96Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.32Å; D148-K150 VanDerWaalsContact OD1-N 3.17Å; D148-Y152 WeakPolarHBondContact OD1-CE2 3.45Å; D148-Y152 PolarHBondContact OD2-OH 2.94Å; D148-H169 PolarHBondContact O-CD2 2.98Å; D148-H169 PolarHBondContact O-NE2 2.89Å | ||
| 149 | S | 90.8 | Very high | 94 | Very high | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -90 | 34.1 | 175.8 | -52 | 0 | 0 | 0 | 0 | 112.3 | N166 T167 | S149-N166 CarbonylContact O-C 3.54Å; S149-N166 WeakPolarHBondContact O-CA 3.34Å; S149-N166 PolarHBondContact O-OD1 3.34Å; S149-T167 WeakPolarHBondContact CB-O 3.18Å; S149-T167 PolarHBondContact O-N 2.97Å |
| 150 | K | 92.8 | Very high | 94 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 40% | 0.4 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.9 | -168.8 | -61.5 | 174.5 | -176.6 | 169.3 | 0 | 111.9 | D148 Y152 V163 H218 | D148-K150 HydrophobicContact CB-CD 4.38Å; D148-K150 HydrophobicContact CB-CG 4.31Å; D148-K150 PolarHBondContact O-N 2.96Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.32Å; D148-K150 VanDerWaalsContact OD1-N 3.17Å; K150-Y152 HydrophobicContact CB-CE2 3.93Å; K150-Y152 WeakPolarHBondContact O-CD2 3.28Å; K150-Y152 WeakPolarHBondContact O-CE2 3.14Å; K150-V163 HydrophobicContact CB-CG1 4.28Å; K150-V163 HydrophobicContact CD-CG1 4.45Å; K150-V163 HydrophobicContact CD-CG2 4.1Å; K150-H218 PolarHBondContact O-CD2 2.9Å |
| 151 | R | 94.3 | Very high | 94.1 | Very high | 135 Ų | 135 | 60.8 Ų | 60.8 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.4 | 168.3 | -170.7 | 173.6 | 174.5 | -173.8 | -2 | 109.4 | A164 G165 M217 H218 | R151-A164 PolarHBondContact O-N 3.34Å; R151-G165 PolarHBondContact N-O 3.04Å; R151-G165 PolarHBondContact O-N 2.88Å; R151-M217 HydrophobicContact CG-CB 4.42Å; R151-H218 WeakPolarHBondContact CA-NE2 3.49Å; R151-H218 WeakPolarHBondContact CB-NE2 3.41Å |
| 152 | Y | 95.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 161.4 | -179.6 | -73.9 | -92.5 | 0 | 0 | 0 | 112.6 | D148 K150 W161 M162 V163 M217 K219 | D148-Y152 WeakPolarHBondContact OD1-CE2 3.45Å; D148-Y152 PolarHBondContact OD2-OH 2.94Å; K150-Y152 HydrophobicContact CB-CE2 3.93Å; K150-Y152 WeakPolarHBondContact O-CD2 3.28Å; K150-Y152 WeakPolarHBondContact O-CE2 3.14Å; Y152-W161 HydrophobicContact CD1-CB 4.45Å; Y152-M162 CarbonylContact C-O 3.56Å; Y152-M162 WeakPolarHBondContact CA-O 3.45Å; Y152-V163 HydrophobicContact CD1-CG2 4.49Å; Y152-V163 HydrophobicContact CE1-CG2 3.99Å; Y152-M217 PolarHBondContact N-O 2.71Å; Y152-M217 WeakPolarHBondContact O-CB 3.36Å; Y152-K219 HydrophobicContact CD2-CD 4.42Å; Y152-K219 HydrophobicContact CD2-CG 4.09Å; Y152-K219 HydrophobicContact CE1-CD 4.39Å; Y152-K219 HydrophobicContact CE2-CB 4.36Å; Y152-K219 HydrophobicContact CE2-CD 3.65Å; Y152-K219 HydrophobicContact CE2-CG 3.72Å; Y152-K219 VanDerWaalsContact CZ-NZ 3.33Å; Y152-K219 WeakPolarHBondContact OH-CE 3.47Å; Y152-K219 PolarHBondContact OH-NZ 2.97Å |
| 153 | R | 96.1 | Very high | 94.2 | Very high | 123 Ų | 123 | 67.8 Ų | 67.8 | 46% | 0.464 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.3 | 164.9 | 64.9 | -175.6 | -177.3 | 106.1 | -9 | 109.7 | V155 M162 A164 | R153-V155 HydrophobicContact CG-CG2 4.47Å; R153-M162 HydrophobicContact CG-CB 4.49Å; R153-M162 PolarHBondContact N-O 3.08Å; R153-M162 VanDerWaalsContact NH2-CE 3.29Å; R153-M162 PolarHBondContact O-N 2.9Å; R153-A164 HydrophobicContact CB-CB 4.09Å; R153-A164 HydrophobicContact CG-CB 4.04Å |
| 154 | Y | 97 | Very high | 94.2 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.9 | 170.5 | -167.6 | -105.6 | 0 | 0 | 0 | 110.1 | Y156 S159 W161 Q263 N264 | Y154-Y156 AromaticContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD2 4.19Å; Y154-Y156 AromaticContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE2 4.1Å; Y154-Y156 HydrophobicContact CD1-CG 4.09Å; Y154-Y156 AromaticContact CD1-CZ 3.94Å; Y154-Y156 AromaticContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CE1 4.13Å; Y154-Y156 HydrophobicContact CE1-CG 4.35Å; Y154-S159 VanDerWaalsContact OH-CA 3.3Å; Y154-S159 WeakPolarHBondContact OH-CA 3.41Å; Y154-S159 WeakPolarHBondContact OH-CB 3.28Å; Y154-S159 PolarHBondContact OH-O 3.1Å; Y154-W161 AromaticContact CD2-CD1 3.99Å; Y154-W161 AromaticContact CD2-CD2 3.86Å; Y154-W161 HydrophobicContact CD2-CD2 3.86Å; Y154-W161 AromaticContact CD2-CE2 3.74Å; Y154-W161 HydrophobicContact CD2-CE3 4.42Å; Y154-W161 HydrophobicContact CD2-CG 4.05Å; Y154-W161 HydrophobicContact CD2-CZ2 4.24Å; Y154-W161 AromaticContact CD2-NE1 3.79Å; Y154-Q263 HydrophobicContact CD1-CB 3.78Å; Y154-Q263 HydrophobicContact CD2-CB 4.22Å; Y154-Q263 HydrophobicContact CE1-CB 4.49Å; Y154-Q263 HydrophobicContact CG-CB 3.61Å; Y154-Q263 HydrophobicContact CG-CG 4.49Å; Y154-N264 HydrophobicContact CE2-CB 4Å |
| 155 | V | 96.4 | Very high | 94 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 99.6 | -176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | R153 H157 S158 S159 Q160 M162 | R153-V155 HydrophobicContact CG-CG2 4.47Å; V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.31Å; V155-H157 WeakPolarHBondContact CG1-NE2 3.41Å; V155-H157 PolarHBondContact O-N 2.78Å; V155-S158 WeakPolarHBondContact CG1-OG 3.42Å; V155-S158 PolarHBondContact O-N 2.78Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 3.41Å; V155-Q160 PolarHBondContact N-O 2.82Å; V155-Q160 PolarHBondContact O-N 2.8Å; V155-M162 HydrophobicContact CG2-CB 4.19Å; V155-M162 HydrophobicContact CG2-CE 4.03Å; V155-M162 HydrophobicContact CG2-CG 3.75Å; V155-M162 HydrophobicContact CG2-SD 4.24Å |
| 156 | Y | 94.1 | Very high | 93.7 | Very high | 134 Ų | 134 | 74.2 Ų | 74.2 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.3 | -169.2 | -69.5 | -89.6 | 0 | 0 | 0 | 114 | Y154 S158 S159 Q263 | Y154-Y156 AromaticContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD2 4.19Å; Y154-Y156 AromaticContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE2 4.1Å; Y154-Y156 HydrophobicContact CD1-CG 4.09Å; Y154-Y156 AromaticContact CD1-CZ 3.94Å; Y154-Y156 AromaticContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CE1 4.13Å; Y154-Y156 HydrophobicContact CE1-CG 4.35Å; Y156-S158 PolarHBondContact O-N 2.81Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.37Å; Y156-Q263 VanDerWaalsContact OH-CD 3.25Å; Y156-Q263 PolarHBondContact OH-OE1 2.88Å |
| 157 | H | 93.7 | Very high | 93.1 | Very high | 176 Ų | 176 | 73.1 Ų | 73.1 | 82% | 0.815 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25.2 | -177.7 | 62.5 | 74.1 | 0 | 0 | 0 | 114.1 | V155 | V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.31Å; V155-H157 WeakPolarHBondContact CG1-NE2 3.41Å; V155-H157 PolarHBondContact O-N 2.78Å |
| 158 | S | 92.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 77.1 Ų | 77.1 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -4.3 | 171.9 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | V155 Y156 Q160 | V155-S158 WeakPolarHBondContact CG1-OG 3.42Å; V155-S158 PolarHBondContact O-N 2.78Å; Y156-S158 PolarHBondContact O-N 2.81Å; S158-Q160 VanDerWaalsContact C-N 3.27Å; S158-Q160 WeakPolarHBondContact O-CG 3.42Å; S158-Q160 PolarHBondContact O-N 3.31Å |
| 159 | S | 93.3 | Very high | 90.6 | Very high | 74 Ų | 74 | 76.6 Ų | 76.6 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.2 | -173 | -66.4 | 0 | 0 | 0 | 0 | 114 | Y154 V155 Y156 | Y154-S159 VanDerWaalsContact OH-CA 3.3Å; Y154-S159 WeakPolarHBondContact OH-CA 3.41Å; Y154-S159 WeakPolarHBondContact OH-CB 3.28Å; Y154-S159 PolarHBondContact OH-O 3.1Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 3.41Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.37Å |
| 160 | Q | 93.9 | Very high | 89 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.3 | -173.4 | -78.3 | 170.1 | -6.3 | 0 | 0 | 113.3 | V155 S158 | V155-Q160 PolarHBondContact N-O 2.82Å; V155-Q160 PolarHBondContact O-N 2.8Å; S158-Q160 VanDerWaalsContact C-N 3.27Å; S158-Q160 WeakPolarHBondContact O-CG 3.42Å; S158-Q160 PolarHBondContact O-N 3.31Å |
| 161 | W | 95.1 | Very high | 87.2 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 19% | 0.193 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124.3 | 168.9 | -74.5 | 102.8 | 0 | 0 | 0 | 110.5 | E111 Y152 Y154 M217 T257 V259 Q263 | E111-W161 HydrophobicContact CG-CZ2 4.01Å; Y152-W161 HydrophobicContact CD1-CB 4.45Å; Y154-W161 AromaticContact CD2-CD1 3.99Å; Y154-W161 AromaticContact CD2-CD2 3.86Å; Y154-W161 HydrophobicContact CD2-CD2 3.86Å; Y154-W161 AromaticContact CD2-CE2 3.74Å; Y154-W161 HydrophobicContact CD2-CE3 4.42Å; Y154-W161 HydrophobicContact CD2-CG 4.05Å; Y154-W161 HydrophobicContact CD2-CZ2 4.24Å; Y154-W161 AromaticContact CD2-NE1 3.79Å; W161-M217 HydrophobicContact CH2-CE 4.06Å; W161-M217 HydrophobicContact CZ3-CE 3.71Å; W161-T257 HydrophobicContact CE3-CG2 4.41Å; W161-T257 HydrophobicContact CH2-CG2 3.65Å; W161-T257 HydrophobicContact CZ2-CG2 4.01Å; W161-T257 HydrophobicContact CZ3-CG2 3.88Å; W161-V259 HydrophobicContact CH2-CG1 3.81Å; W161-V259 HydrophobicContact CZ2-CG1 4.3Å; W161-Q263 HydrophobicContact CH2-CB 4.29Å; W161-Q263 HydrophobicContact CH2-CG 3.77Å; W161-Q263 HydrophobicContact CZ2-CB 4.19Å; W161-Q263 HydrophobicContact CZ2-CG 4.14Å |
| 162 | M | 95.2 | Very high | 85.8 | Confident | 75 Ų | 75 | 76.9 Ų | 76.9 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.3 | 173.3 | -56.4 | -152.2 | -38.7 | 0 | 0 | 111.3 | Y152 R153 V155 | Y152-M162 CarbonylContact C-O 3.56Å; Y152-M162 WeakPolarHBondContact CA-O 3.45Å; R153-M162 HydrophobicContact CG-CB 4.49Å; R153-M162 PolarHBondContact N-O 3.08Å; R153-M162 VanDerWaalsContact NH2-CE 3.29Å; R153-M162 PolarHBondContact O-N 2.9Å; V155-M162 HydrophobicContact CG2-CB 4.19Å; V155-M162 HydrophobicContact CG2-CE 4.03Å; V155-M162 HydrophobicContact CG2-CG 3.75Å; V155-M162 HydrophobicContact CG2-SD 4.24Å |
| 163 | V | 96.3 | Very high | 84.6 | Confident | 74 Ų | 74 | 81 Ų | 81 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.7 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | K150 Y152 | K150-V163 HydrophobicContact CB-CG1 4.28Å; K150-V163 HydrophobicContact CD-CG1 4.45Å; K150-V163 HydrophobicContact CD-CG2 4.1Å; Y152-V163 HydrophobicContact CD1-CG2 4.49Å; Y152-V163 HydrophobicContact CE1-CG2 3.99Å |
| 164 | A | 93.1 | Very high | 83.4 | Confident | 58 Ų | 58 | 80.1 Ų | 80.1 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -24.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R151 R153 | R151-A164 PolarHBondContact O-N 3.34Å; R153-A164 HydrophobicContact CB-CB 4.09Å; R153-A164 HydrophobicContact CG-CB 4.04Å |
| 165 | G | 91.1 | Very high | 82.9 | Confident | 31 Ų | 31 | 83 Ų | 83 | 32% | 0.32 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | 176 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R151 | R151-G165 PolarHBondContact N-O 3.04Å; R151-G165 PolarHBondContact O-N 2.88Å |
| 166 | N | 87.5 | Confident | 82.5 | Confident | 118 Ų | 118 | 84.6 Ų | 84.6 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 155 | 168.9 | -151 | 67 | 0 | 0 | 0 | 109.7 | S149 | S149-N166 CarbonylContact O-C 3.54Å; S149-N166 WeakPolarHBondContact O-CA 3.34Å; S149-N166 PolarHBondContact O-OD1 3.34Å |
| 167 | T | 80.4 | Confident | 82.5 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 25% | 0.245 | 44% | 0.438 | C | S | . | . | trans | -151.5 | 129.8 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | S149 H169 | S149-T167 WeakPolarHBondContact CB-O 3.18Å; S149-T167 PolarHBondContact O-N 2.97Å; T167-H169 PolarHBondContact O-N 3.25Å | ||
| 168 | E | 68.1 | Low | 82.4 | Confident | 140 Ų | 140 | 74.6 Ų | 74.6 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | trans | -80.2 | 111.4 | 179.5 | -68.6 | -179.7 | -173.9 | 0 | 0 | 110.4 | L170 | E168-L170 HydrophobicContact CB-CD1 4.47Å; E168-L170 HydrophobicContact CB-CG 4.4Å; E168-L170 PolarHBondContact O-N 2.97Å | ||
| 169 | H | 64.7 | Low | 82.5 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 11% | 0.106 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -76 | 4.1 | 178.8 | -72 | -46.3 | 0 | 0 | 0 | 114.5 | P146 D148 T167 C171 I172 Q215 H218 | P146-H169 HydrophobicContact CG-CB 4.39Å; D148-H169 PolarHBondContact O-CD2 2.98Å; D148-H169 PolarHBondContact O-NE2 2.89Å; T167-H169 PolarHBondContact O-N 3.25Å; H169-C171 PolarHBondContact O-N 2.83Å; H169-I172 PolarHBondContact O-N 2.93Å; H169-I172 VanDerWaalsContact O-N 3.14Å; H169-Q215 PolarHBondContact CE1-OE1 2.93Å; H169-Q215 PolarHBondContact ND1-OE1 2.78Å; H169-H218 AromaticContact CE1-CD2 3.2Å; H169-H218 PolarHBondContact CE1-CD2 2.93Å; H169-H218 AromaticContact CE1-CG 3.57Å; H169-H218 AromaticContact CE1-NE2 3.67Å; H169-H218 AromaticContact NE2-CD2 3.43Å; H169-H218 PolarHBondContact NE2-CD2 3.34Å; H169-H218 AromaticContact NE2-CG 3.99Å |
| 170 | L | 58 | Low | 82.5 | Confident | 151 Ų | 151 | 72.1 Ų | 72.1 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -59.8 | -17.6 | -175.2 | -58.4 | 176.6 | 0 | 0 | 0 | 114.1 | E168 | E168-L170 HydrophobicContact CB-CD1 4.47Å; E168-L170 HydrophobicContact CB-CG 4.4Å; E168-L170 PolarHBondContact O-N 2.97Å |
| 171 | C | 55.3 | Low | 82.5 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 73% | 0.73 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -86.8 | -12.2 | 180 | -55.2 | 0 | 0 | 0 | 0 | 114.8 | H169 I173 | H169-C171 PolarHBondContact O-N 2.83Å; C171-I173 PolarHBondContact O-N 3.49Å |
| 172 | I | 65.1 | Low | 82.3 | Confident | 34 Ų | 34 | 69 Ų | 69 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -89.5 | 105 | 177.5 | -48.7 | 178.9 | 0 | 0 | 0 | 108.9 | H169 P174 Q215 Y220 | H169-I172 PolarHBondContact O-N 2.93Å; H169-I172 VanDerWaalsContact O-N 3.14Å; I172-P174 VanDerWaalsContact O-CD 3.27Å; I172-P174 WeakPolarHBondContact O-CD 3.31Å; I172-Q215 HydrophobicContact CD1-CB 4.35Å; I172-Q215 HydrophobicContact CD1-CG 3.81Å; I172-Q215 HydrophobicContact CG1-CG 4.4Å; I172-Y220 WeakPolarHBondContact CD1-OH 3.31Å |
| 173 | I | 70 | Confident | 82.1 | Confident | 107 Ų | 107 | 68 Ų | 68 | 55% | 0.549 | 39% | 0.387 | S | S | . | . | trans | -59.9 | 119.2 | 168.6 | -60.5 | 176.3 | 0 | 0 | 0 | 108 | C171 R175 | C171-I173 PolarHBondContact O-N 3.49Å; I173-R175 PolarHBondContact O-N 3.44Å | ||
| 174 | P | 69.8 | Low | 82 | Confident | 103 Ų | 103 | 66 Ų | 66 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | trans | -60.1 | 125.8 | 179.9 | -24.5 | 35.4 | 0 | 0 | 0 | 110.8 | I172 | I172-P174 VanDerWaalsContact O-CD 3.27Å; I172-P174 WeakPolarHBondContact O-CD 3.31Å | ||
| 175 | R | 86.8 | Confident | 82 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | trans | -112.4 | 131.2 | 173.6 | -69.6 | -178.4 | 175.6 | -166.3 | -3.9 | 109 | I173 D207 H211 I212 | I173-R175 PolarHBondContact O-N 3.44Å; R175-D207 VanDerWaalsContact CZ-O 3.3Å; R175-D207 PolarHBondContact NH1-O 3.13Å; R175-D207 IonicContact NH1-OD2 3.87Å; R175-D207 PolarHBondContact NH2-O 3.43Å; R175-H211 VanDerWaalsContact CD-O 3.27Å; R175-H211 WeakPolarHBondContact CD-O 3.39Å; R175-H211 PolarHBondContact NH1-O 3.29Å; R175-H211 VanDerWaalsContact NH1-O 3.1Å; R175-I212 HydrophobicContact CB-CG1 4.24Å; R175-I212 WeakPolarHBondContact O-CG1 3.2Å | ||
| 176 | F | 89.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.18 | 34% | 0.344 | C | S | . | . | trans | -102.4 | 153.3 | 169.3 | 60.2 | -83.6 | 0 | 0 | 0 | 110.1 | A141 I142 D143 V178 L238 L241 | A141-F176 HydrophobicContact CB-CD2 4.18Å; I142-F176 CarbonylContact O-C 3.56Å; I142-F176 WeakPolarHBondContact O-CA 3.4Å; D143-F176 HydrophobicContact CB-CB 4.44Å; F176-V178 HydrophobicContact CD2-CG2 3.77Å; F176-V178 HydrophobicContact CE2-CG2 3.58Å; F176-L238 WeakPolarHBondContact CZ-O 2.98Å; F176-L241 HydrophobicContact CB-CD1 3.85Å; F176-L241 HydrophobicContact CD1-CD1 3.53Å; F176-L241 HydrophobicContact CD2-CD1 4.27Å; F176-L241 HydrophobicContact CE1-CD1 4.11Å; F176-L241 HydrophobicContact CG-CD1 3.63Å | ||
| 177 | Y | 93.1 | Very high | 82.5 | Confident | 46 Ų | 46 | 61 Ų | 61 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.5 | 173.8 | 173.8 | -96.9 | 0 | 0 | 0 | 108.8 | A141 I142 F196 R198 M199 | A141-Y177 CarbonylContact C-O 3.53Å; A141-Y177 VanDerWaalsContact CA-O 3.31Å; A141-Y177 WeakPolarHBondContact CA-O 3.35Å; I142-Y177 HydrophobicContact CG2-CD1 3.92Å; I142-Y177 HydrophobicContact CG2-CG 4.39Å; I142-Y177 PolarHBondContact N-O 3.47Å; I142-Y177 PolarHBondContact O-N 3.25Å; Y177-F196 AromaticContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CE1 4.45Å; Y177-F196 HydrophobicContact CE1-CD1 4.09Å; Y177-R198 WeakPolarHBondContact OH-CB 3.43Å; Y177-M199 HydrophobicContact CD1-CB 3.93Å; Y177-M199 HydrophobicContact CD1-CG 4.36Å; Y177-M199 HydrophobicContact CE1-CB 4.16Å; Y177-M199 HydrophobicContact CG-CB 4.18Å; Y177-M199 HydrophobicContact CG-CG 4.24Å |
| 178 | V | 93 | Very high | 83.3 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | Y139 F176 | Y139-V178 HydrophobicContact CD1-CG1 4.47Å; F176-V178 HydrophobicContact CD2-CG2 3.77Å; F176-V178 HydrophobicContact CE2-CG2 3.58Å |
| 179 | H | 94.8 | Very high | 84.6 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | trans | -65 | 132.6 | 174.7 | -167.7 | -91.7 | 0 | 0 | 0 | 109.3 | V140 D181 S182 W189 I194 S195 F196 | V140-H179 HydrophobicContact CB-CB 4.49Å; V140-H179 WeakPolarHBondContact O-CB 3.1Å; V140-H179 PolarHBondContact O-N 2.96Å; H179-D181 IonicContact CE1-OD1 2.76Å; H179-D181 IonicContact CE1-OD2 3.45Å; H179-D181 PolarHBondContact CE1-OD2 3.03Å; H179-D181 VanDerWaalsContact CE1-OD2 3.29Å; H179-D181 IonicContact ND1-OD1 3.31Å; H179-D181 IonicContact ND1-OD2 3.89Å; H179-D181 PolarHBondContact O-N 2.88Å; H179-S182 VanDerWaalsContact O-CB 3.27Å; H179-S182 WeakPolarHBondContact O-CB 3.06Å; H179-S182 PolarHBondContact O-N 3.45Å; H179-S182 PolarHBondContact O-OG 3.07Å; H179-W189 HydrophobicContact CB-CH2 4.02Å; H179-W189 AromaticContact CG-CH2 3.96Å; H179-W189 AromaticContact ND1-CH2 3.48Å; H179-W189 WeakPolarHBondContact ND1-CH2 3.38Å; H179-W189 AromaticContact ND1-CZ3 3.51Å; H179-I194 VanDerWaalsContact CD2-CG2 3.4Å; H179-I194 WeakPolarHBondContact CD2-CG2 3.4Å; H179-S195 PolarHBondContact NE2-N 3.1Å; H179-S195 PolarHBondContact NE2-O 3.11Å; H179-F196 HydrophobicContact CB-CE1 4.1Å | ||
| 180 | P | 92.9 | Very high | 86.1 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.1 | -170.1 | 25.5 | -36.4 | 0 | 0 | 0 | 114.6 | S182 | P180-S182 VanDerWaalsContact C-N 3.28Š|
| 181 | D | 92.7 | Very high | 87.8 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.1 | 177.8 | -49.6 | -0.7 | 0 | 0 | 0 | 112.1 | H179 P183 C184 W189 | H179-D181 IonicContact CE1-OD1 2.76Å; H179-D181 IonicContact CE1-OD2 3.45Å; H179-D181 PolarHBondContact CE1-OD2 3.03Å; H179-D181 VanDerWaalsContact CE1-OD2 3.29Å; H179-D181 IonicContact ND1-OD1 3.31Å; H179-D181 IonicContact ND1-OD2 3.89Å; H179-D181 PolarHBondContact O-N 2.88Å; D181-P183 CarbonylContact O-C 3.57Å; D181-C184 WeakPolarHBondContact O-CB 3.4Å; D181-W189 HydrophobicContact CB-CH2 3.98Å; D181-W189 HydrophobicContact CB-CZ3 4.3Å |
| 182 | S | 91.4 | Very high | 89.7 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | trans | -89.3 | 144.5 | 179.3 | -47.4 | 0 | 0 | 0 | 0 | 112.4 | V140 H179 P180 W189 | V140-S182 PolarHBondContact N-OG 2.93Å; V140-S182 PolarHBondContact O-OG 3.37Å; H179-S182 VanDerWaalsContact O-CB 3.27Å; H179-S182 WeakPolarHBondContact O-CB 3.06Å; H179-S182 PolarHBondContact O-N 3.45Å; H179-S182 PolarHBondContact O-OG 3.07Å; P180-S182 VanDerWaalsContact C-N 3.28Å; S182-W189 WeakPolarHBondContact OG-CZ2 3.3Å | ||
| 183 | P | 91.6 | Very high | 91.2 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | cis | -72 | 151.4 | -8.5 | 29.4 | -33.5 | 0 | 0 | 0 | 112.3 | Y139 D181 | Y139-P183 HydrophobicContact CD1-CB 4.4Å; Y139-P183 HydrophobicContact CD2-CB 4.05Å; Y139-P183 HydrophobicContact CE1-CB 4.09Å; Y139-P183 HydrophobicContact CE1-CG 4.22Å; Y139-P183 HydrophobicContact CE2-CB 3.73Å; Y139-P183 HydrophobicContact CE2-CG 4.31Å; Y139-P183 HydrophobicContact CG-CB 4.38Å; D181-P183 CarbonylContact O-C 3.57Å |
| 184 | C | 93.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.8 | 172.3 | -136.8 | 0 | 0 | 0 | 0 | 112 | Q137 Y138 D181 T188 W189 | Q137-C184 PolarHBondContact OE1-O 3.33Å; Y138-C184 PolarHBondContact N-O 3.45Å; Y138-C184 PolarHBondContact O-N 3.2Å; D181-C184 WeakPolarHBondContact O-CB 3.4Å; C184-T188 VanDerWaalsContact SG-CG2 3.58Å; C184-W189 HydrophobicContact CB-CD2 4.21Å; C184-W189 HydrophobicContact CB-CZ2 3.86Å; C184-W189 VanDerWaalsContact O-CD1 3.3Å; C184-W189 PolarHBondContact O-NE1 3.45Å; C184-W189 VanDerWaalsContact O-NE1 3.07Å |
| 185 | S | 94.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 148.6 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | K136 Q137 E187 T188 W189 | K136-S185 CarbonylContact O-C 3.55Å; K136-S185 VanDerWaalsContact O-CA 3.31Å; K136-S185 WeakPolarHBondContact O-CA 3.27Å; Q137-S185 VanDerWaalsContact OE1-N 3.1Å; S185-E187 PolarHBondContact O-N 2.74Å; S185-T188 PolarHBondContact O-N 2.81Å; S185-T188 PolarHBondContact OG-N 2.85Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; S185-W189 VanDerWaalsContact O-CD1 3.24Å; S185-W189 PolarHBondContact O-N 3.11Å |
| 186 | G | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -33 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D133 K136 W189 M190 | D133-G186 WeakPolarHBondContact O-CA 3.5Å; K136-G186 PolarHBondContact O-N 3Å; G186-W189 PolarHBondContact O-N 2.9Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 WeakPolarHBondContact O-CE 3.38Å; G186-M190 VanDerWaalsContact O-CG 3.29Å; G186-M190 WeakPolarHBondContact O-CG 3.49Å; G186-M190 PolarHBondContact O-N 2.86Å |
| 187 | E | 95.1 | Very high | 94.6 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 173.1 | -152 | -150.6 | 152.2 | 0 | 0 | 112.2 | P134 S185 W189 M190 R191 | P134-E187 HydrophobicContact CB-CB 4.04Å; P134-E187 HydrophobicContact CB-CG 4.27Å; S185-E187 PolarHBondContact O-N 2.74Å; E187-W189 PolarHBondContact O-N 2.88Å; E187-M190 PolarHBondContact O-N 2.81Å; E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 VanDerWaalsContact O-CG 3.25Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.76Å; E187-R191 IonicContact OE1-CZ 3.13Å; E187-R191 IonicContact OE1-NE 2.78Å; E187-R191 PolarHBondContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH2 2.66Å; E187-R191 PolarHBondContact OE1-NH2 2.93Å; E187-R191 IonicContact OE2-NH2 3.63Å |
| 188 | T | 95.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | -179.5 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | C184 S185 R191 | C184-T188 VanDerWaalsContact SG-CG2 3.58Å; S185-T188 PolarHBondContact O-N 2.81Å; S185-T188 PolarHBondContact OG-N 2.85Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; T188-R191 PolarHBondContact O-N 2.87Å |
| 189 | W | 95.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 174.7 | -70.5 | 124.9 | 0 | 0 | 0 | 113.5 | L132 Y138 V140 H179 D181 S182 C184 S185 G186 E187 I194 | L132-W189 HydrophobicContact CD1-CB 3.64Å; L132-W189 HydrophobicContact CD1-CG 4.34Å; Y138-W189 PolarHBondContact O-NE1 2.82Å; V140-W189 HydrophobicContact CB-CH2 4.02Å; V140-W189 HydrophobicContact CB-CZ2 4.01Å; V140-W189 HydrophobicContact CB-CZ3 4.35Å; V140-W189 HydrophobicContact CG2-CD2 3.8Å; V140-W189 HydrophobicContact CG2-CE3 4.17Å; V140-W189 HydrophobicContact CG2-CG 4.28Å; V140-W189 HydrophobicContact CG2-CH2 4.17Å; V140-W189 HydrophobicContact CG2-CZ2 3.8Å; V140-W189 HydrophobicContact CG2-CZ3 4.35Å; H179-W189 HydrophobicContact CB-CH2 4.02Å; H179-W189 AromaticContact CG-CH2 3.96Å; H179-W189 AromaticContact ND1-CH2 3.48Å; H179-W189 WeakPolarHBondContact ND1-CH2 3.38Å; H179-W189 AromaticContact ND1-CZ3 3.51Å; D181-W189 HydrophobicContact CB-CH2 3.98Å; D181-W189 HydrophobicContact CB-CZ3 4.3Å; S182-W189 WeakPolarHBondContact OG-CZ2 3.3Å; C184-W189 HydrophobicContact CB-CD2 4.21Å; C184-W189 HydrophobicContact CB-CZ2 3.86Å; C184-W189 VanDerWaalsContact O-CD1 3.3Å; C184-W189 PolarHBondContact O-NE1 3.45Å; C184-W189 VanDerWaalsContact O-NE1 3.07Å; S185-W189 VanDerWaalsContact O-CD1 3.24Å; S185-W189 PolarHBondContact O-N 3.11Å; G186-W189 PolarHBondContact O-N 2.9Å; E187-W189 PolarHBondContact O-N 2.88Å; W189-I194 HydrophobicContact CD2-CD1 4.13Å; W189-I194 HydrophobicContact CE3-CD1 3.43Å; W189-I194 VanDerWaalsContact CE3-CD1 3.43Å; W189-I194 HydrophobicContact CE3-CG1 3.77Å; W189-I194 HydrophobicContact CZ3-CD1 3.96Å; W189-I194 HydrophobicContact CZ3-CG1 4.13Å; W189-I194 HydrophobicContact CZ3-CG2 4.1Å |
| 190 | M | 95.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 23% | 0.232 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.9 | -25.5 | 177.1 | -70 | -170.7 | -68.4 | 0 | 0 | 113.5 | G131 L132 P134 G186 E187 Q192 | G131-M190 PolarHBondContact N-SD 3.07Å; G131-M190 VanDerWaalsContact N-SD 3.39Å; L132-M190 HydrophobicContact CB-CE 4.08Å; L132-M190 HydrophobicContact CB-CG 4.19Å; L132-M190 HydrophobicContact CB-SD 4.02Å; L132-M190 HydrophobicContact CD1-CG 4.22Å; L132-M190 HydrophobicContact CG-CG 4.19Å; L132-M190 HydrophobicContact CG-SD 4.46Å; L132-M190 PolarHBondContact N-SD 3.05Å; L132-M190 WeakPolarHBondContact O-CE 3.4Å; P134-M190 HydrophobicContact CG-CE 4.27Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 WeakPolarHBondContact O-CE 3.38Å; G186-M190 VanDerWaalsContact O-CG 3.29Å; G186-M190 WeakPolarHBondContact O-CG 3.49Å; G186-M190 PolarHBondContact O-N 2.86Å; E187-M190 PolarHBondContact O-N 2.81Å; M190-Q192 VanDerWaalsContact C-N 3.34Å; M190-Q192 PolarHBondContact O-N 3.02Å |
| 191 | R | 95.6 | Very high | 95 | Very high | 182 Ų | 182 | 49.2 Ų | 49.2 | 69% | 0.687 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.7 | -30 | 179.2 | -82.7 | 169.4 | 174.1 | -142.6 | 9 | 113.9 | E187 T188 | E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 VanDerWaalsContact O-CG 3.25Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.76Å; E187-R191 IonicContact OE1-CZ 3.13Å; E187-R191 IonicContact OE1-NE 2.78Å; E187-R191 PolarHBondContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH2 2.66Å; E187-R191 PolarHBondContact OE1-NH2 2.93Å; E187-R191 IonicContact OE2-NH2 3.63Å; T188-R191 PolarHBondContact O-N 2.87Å |
| 192 | Q | 94.8 | Very high | 95.1 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -135.4 | 177 | -173.8 | 66.9 | 174.2 | 0.9 | 0 | 0 | 114.9 | M190 | M190-Q192 VanDerWaalsContact C-N 3.34Å; M190-Q192 PolarHBondContact O-N 3.02Å |
| 193 | I | 96.7 | Very high | 95.3 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | trans | -92.5 | 119.4 | 176.6 | -62.8 | 170.8 | 0 | 0 | 0 | 109 | Q97 R126 | Q97-I193 HydrophobicContact CB-CG2 4.12Å; Q97-I193 HydrophobicContact CG-CD1 3.97Å; Q97-I193 HydrophobicContact CG-CG1 4.06Å; Q97-I193 HydrophobicContact CG-CG2 3.76Å; R126-I193 HydrophobicContact CB-CG2 4.02Å | ||
| 194 | I | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.7 | 177.3 | -49 | -176.8 | 0 | 0 | 0 | 109 | R126 V127 V129 V140 H179 W189 F196 | R126-I194 VanDerWaalsContact CA-O 3.26Å; R126-I194 WeakPolarHBondContact CA-O 3.34Å; V127-I194 HydrophobicContact CG2-CB 3.93Å; V127-I194 HydrophobicContact CG2-CD1 4.46Å; V127-I194 PolarHBondContact N-O 3.39Å; V127-I194 PolarHBondContact O-N 3.09Å; V129-I194 HydrophobicContact CG2-CD1 3.75Å; V140-I194 HydrophobicContact CB-CD1 4.43Å; V140-I194 HydrophobicContact CG1-CD1 3.98Å; V140-I194 HydrophobicContact CG1-CG2 4.18Å; V140-I194 HydrophobicContact CG2-CD1 4.1Å; H179-I194 VanDerWaalsContact CD2-CG2 3.4Å; H179-I194 WeakPolarHBondContact CD2-CG2 3.4Å; W189-I194 HydrophobicContact CD2-CD1 4.13Å; W189-I194 HydrophobicContact CE3-CD1 3.43Å; W189-I194 VanDerWaalsContact CE3-CD1 3.43Å; W189-I194 HydrophobicContact CE3-CG1 3.77Å; W189-I194 HydrophobicContact CZ3-CD1 3.96Å; W189-I194 HydrophobicContact CZ3-CG1 4.13Å; W189-I194 HydrophobicContact CZ3-CG2 4.1Å; I194-F196 HydrophobicContact CG2-CE2 4.34Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å |
| 195 | S | 96.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.2 | -169.4 | -177.8 | 0 | 0 | 0 | 0 | 113.1 | H179 D197 | H179-S195 PolarHBondContact NE2-N 3.1Å; H179-S195 PolarHBondContact NE2-O 3.11Å; S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 PolarHBondContact O-N 2.96Å; S195-D197 PolarHBondContact OG-OD1 3.36Å |
| 196 | F | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | trans | -90.3 | 32.6 | 175.1 | -58.2 | -75.2 | 0 | 0 | 0 | 112.7 | V125 V127 V140 I142 Y177 H179 I194 R198 M199 V224 | V125-F196 HydrophobicContact CB-CB 4.41Å; V125-F196 HydrophobicContact CB-CD2 4.12Å; V125-F196 HydrophobicContact CG1-CD2 3.98Å; V125-F196 PolarHBondContact O-N 2.81Å; V127-F196 HydrophobicContact CG2-CE2 4.4Å; V140-F196 HydrophobicContact CG1-CZ 3.99Å; I142-F196 HydrophobicContact CB-CD1 4.02Å; I142-F196 HydrophobicContact CB-CD2 4.41Å; I142-F196 HydrophobicContact CB-CE1 3.8Å; I142-F196 HydrophobicContact CB-CE2 4.21Å; I142-F196 HydrophobicContact CB-CG 4.3Å; I142-F196 HydrophobicContact CB-CZ 3.88Å; I142-F196 HydrophobicContact CD1-CB 4.29Å; I142-F196 HydrophobicContact CD1-CD2 3.85Å; I142-F196 HydrophobicContact CD1-CE2 4.26Å; I142-F196 HydrophobicContact CD1-CG 3.99Å; I142-F196 HydrophobicContact CG2-CB 4.46Å; I142-F196 HydrophobicContact CG2-CD1 3.41Å; I142-F196 VanDerWaalsContact CG2-CD1 3.41Å; I142-F196 HydrophobicContact CG2-CD2 4.48Å; I142-F196 HydrophobicContact CG2-CE1 3.56Å; I142-F196 HydrophobicContact CG2-CG 3.89Å; I142-F196 HydrophobicContact CG2-CZ 4.17Å; Y177-F196 AromaticContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CE1 4.45Å; Y177-F196 HydrophobicContact CE1-CD1 4.09Å; H179-F196 HydrophobicContact CB-CE1 4.1Å; I194-F196 HydrophobicContact CG2-CE2 4.34Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å; F196-R198 VanDerWaalsContact C-N 3.25Å; F196-R198 PolarHBondContact O-N 3.48Å; F196-M199 HydrophobicContact CB-CB 4.38Å; F196-M199 WeakPolarHBondContact O-CB 3.27Å; F196-M199 PolarHBondContact O-N 2.88Å; F196-V224 HydrophobicContact CE2-CG1 3.85Å; F196-V224 HydrophobicContact CE2-CG2 3.91Å; F196-V224 HydrophobicContact CZ-CG1 3.9Å | ||
| 197 | D | 95.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22 | 178 | 72.7 | -82 | 0 | 0 | 0 | 113.7 | R120 S195 | R120-D197 WeakPolarHBondContact CD-O 3.23Å; R120-D197 WeakPolarHBondContact CG-O 3.45Å; R120-D197 IonicContact CZ-OD2 3.63Å; R120-D197 PolarHBondContact NE-O 2.87Å; R120-D197 PolarHBondContact NH1-O 2.97Å; R120-D197 IonicContact NH1-OD2 3.53Å; R120-D197 PolarHBondContact NH1-OD2 2.8Å; S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 PolarHBondContact O-N 2.96Å; S195-D197 PolarHBondContact OG-OD1 3.36Å |
| 198 | R | 94.7 | Very high | 94.4 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -22.2 | 177.7 | -68.9 | 174.9 | 65.1 | 174.8 | -2 | 113 | Y177 F196 | Y177-R198 WeakPolarHBondContact OH-CB 3.43Å; F196-R198 VanDerWaalsContact C-N 3.25Å; F196-R198 PolarHBondContact O-N 3.48Å |
| 199 | M | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -58.9 | 146.7 | 176.1 | 177.6 | -178.2 | 148.6 | 0 | 0 | 111.2 | R120 M121 I142 V144 Y177 F196 L201 I212 | R120-M199 WeakPolarHBondContact CA-O 3.35Å; M121-M199 HydrophobicContact CE-CE 3.48Å; M121-M199 VanDerWaalsContact CE-CE 3.48Å; M121-M199 HydrophobicContact CE-CG 4.43Å; M121-M199 HydrophobicContact CE-SD 3.55Å; M121-M199 VanDerWaalsContact CE-SD 3.55Å; M121-M199 HydrophobicContact SD-CE 3.77Å; I142-M199 HydrophobicContact CD1-SD 4.01Å; I142-M199 HydrophobicContact CG1-SD 4.33Å; I142-M199 HydrophobicContact CG2-SD 3.47Å; I142-M199 WeakPolarHBondContact CG2-SD 3.14Å; V144-M199 HydrophobicContact CG2-CE 3.54Å; Y177-M199 HydrophobicContact CD1-CB 3.93Å; Y177-M199 HydrophobicContact CD1-CG 4.36Å; Y177-M199 HydrophobicContact CE1-CB 4.16Å; Y177-M199 HydrophobicContact CG-CB 4.18Å; Y177-M199 HydrophobicContact CG-CG 4.24Å; F196-M199 HydrophobicContact CB-CB 4.38Å; F196-M199 WeakPolarHBondContact O-CB 3.27Å; F196-M199 PolarHBondContact O-N 2.88Å; M199-L201 HydrophobicContact CE-CD2 3.54Å; M199-I212 HydrophobicContact CE-CD1 3.73Å; M199-I212 HydrophobicContact CG-CD1 4.37Å; M199-I212 HydrophobicContact SD-CD1 4.08Å | ||
| 200 | K | 96.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.9 | 179 | -75.4 | 169.2 | 159 | -161.6 | 0 | 111.9 | A117 G118 R119 R120 H211 I212 | A117-K200 PolarHBondContact O-NZ 3.48Å; G118-K200 WeakPolarHBondContact O-CD 3.37Å; G118-K200 VanDerWaalsContact O-CE 3.28Å; G118-K200 WeakPolarHBondContact O-CE 3.43Å; R119-K200 CarbonylContact O-C 3.6Å; R119-K200 VanDerWaalsContact O-CA 3.3Å; R119-K200 WeakPolarHBondContact O-CA 3.41Å; R120-K200 HydrophobicContact CG-CG 4.12Å; K200-H211 VanDerWaalsContact CD-CD2 3.41Å; K200-H211 WeakPolarHBondContact CD-CD2 3.36Å; K200-H211 WeakPolarHBondContact CD-NE2 3.43Å; K200-H211 PolarHBondContact NZ-NE2 2.76Å; K200-I212 PolarHBondContact O-N 3.29Å; K200-I212 VanDerWaalsContact O-N 3.11Å |
| 201 | L | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.5 | 172.6 | -53.1 | -178.3 | 0 | 0 | 0 | 110.1 | M112 I114 G118 R119 M121 V144 M199 I212 L214 F256 | M112-L201 HydrophobicContact CB-CD1 4.04Å; I114-L201 HydrophobicContact CG2-CB 3.73Å; I114-L201 HydrophobicContact CG2-CD1 4.35Å; G118-L201 WeakPolarHBondContact CA-O 3.48Å; R119-L201 PolarHBondContact N-O 2.75Å; R119-L201 PolarHBondContact O-N 3.44Å; M121-L201 HydrophobicContact CG-CD1 3.74Å; M121-L201 HydrophobicContact CG-CD2 4.49Å; M121-L201 HydrophobicContact CG-CG 3.94Å; M121-L201 HydrophobicContact SD-CD1 4.17Å; M121-L201 HydrophobicContact SD-CD2 4.45Å; M121-L201 HydrophobicContact SD-CG 4.46Å; V144-L201 HydrophobicContact CG2-CD2 4.45Å; M199-L201 HydrophobicContact CE-CD2 3.54Å; L201-I212 WeakPolarHBondContact CA-O 3.44Å; L201-I212 HydrophobicContact CD2-CB 4.22Å; L201-I212 HydrophobicContact CD2-CG2 4.12Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CD1-CD1 3.91Å; L201-L214 HydrophobicContact CD2-CD1 3.76Å; L201-L214 HydrophobicContact CD2-CG 4.5Å; L201-L214 HydrophobicContact CG-CD1 4.21Å; L201-F256 HydrophobicContact CD1-CE2 3.95Å; L201-F256 HydrophobicContact CD1-CZ 3.86Å |
| 202 | T | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.1 | 179.6 | -170 | 0 | 0 | 0 | 0 | 111.5 | T115 N204 D207 H211 I212 I213 L214 | T115-T202 WeakPolarHBondContact O-CA 3.3Å; T115-T202 PolarHBondContact O-OG1 2.69Å; T115-T202 VanDerWaalsContact O-OG1 3.09Å; T202-N204 WeakPolarHBondContact OG1-CB 3.38Å; T202-N204 PolarHBondContact OG1-N 3.32Å; T202-D207 HydrophobicContact CG2-CB 3.87Å; T202-H211 HydrophobicContact CG2-CB 3.71Å; T202-I212 PolarHBondContact N-O 3Å; T202-I213 HydrophobicContact CG2-CB 4.28Å; T202-I213 HydrophobicContact CG2-CG1 3.73Å; T202-L214 PolarHBondContact O-N 2.86Å |
| 203 | N | 94.4 | Very high | 93.5 | Very high | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | trans | -104.1 | 11.9 | 168.9 | 78.9 | -67.1 | 0 | 0 | 0 | 112.4 | I114 T115 K116 | I114-N203 HydrophobicContact CB-CB 4.48Å; I114-N203 HydrophobicContact CD1-CB 3.63Å; I114-N203 HydrophobicContact CG1-CB 3.94Å; T115-N203 WeakPolarHBondContact CA-OD1 3.2Å; K116-N203 PolarHBondContact N-OD1 2.81Å | ||
| 204 | N | 93 | Very high | 93.4 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | trans | -91 | 107.2 | 177.4 | -176 | 35.5 | 0 | 0 | 0 | 109.7 | K116 T202 M206 D207 I213 | K116-N204 HydrophobicContact CG-CB 4.17Å; T202-N204 WeakPolarHBondContact OG1-CB 3.38Å; T202-N204 PolarHBondContact OG1-N 3.32Å; N204-M206 VanDerWaalsContact ND2-C 3.25Å; N204-M206 PolarHBondContact ND2-O 3.33Å; N204-M206 PolarHBondContact O-N 3.16Å; N204-D207 HydrophobicContact CB-CB 4.25Å; N204-D207 WeakPolarHBondContact ND2-CA 3.35Å; N204-D207 PolarHBondContact ND2-N 3.01Å; N204-D207 WeakPolarHBondContact O-CB 3.29Å; N204-D207 PolarHBondContact O-N 3.1Å; N204-I213 WeakPolarHBondContact O-CG1 3.48Å | ||
| 205 | E | 89.8 | Confident | 93.2 | Very high | 131 Ų | 131 | 52.1 Ų | 52.1 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.7 | 178.1 | -66.2 | 171.8 | 165.7 | 0 | 0 | 112 | D207 I213 | E205-D207 PolarHBondContact O-N 3.04Å; E205-I213 HydrophobicContact CG-CG2 4.32Å; E205-I213 WeakPolarHBondContact O-CD1 3.14Å |
| 206 | M | 88.6 | Confident | 93.2 | Very high | 163 Ų | 163 | 52.2 Ų | 52.2 | 80% | 0.803 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 47.7 | 175 | -53.8 | -56.5 | -68.7 | 0 | 0 | 111.5 | N204 | N204-M206 VanDerWaalsContact ND2-C 3.25Å; N204-M206 PolarHBondContact ND2-O 3.33Å; N204-M206 PolarHBondContact O-N 3.16Å |
| 207 | D | 89.7 | Confident | 93.1 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | trans | -82.2 | 120.5 | 178.1 | -171.5 | 97.5 | 0 | 0 | 0 | 112.2 | R175 T202 N204 E205 K209 G210 H211 I213 | R175-D207 VanDerWaalsContact CZ-O 3.3Å; R175-D207 PolarHBondContact NH1-O 3.13Å; R175-D207 IonicContact NH1-OD2 3.87Å; R175-D207 PolarHBondContact NH2-O 3.43Å; T202-D207 HydrophobicContact CG2-CB 3.87Å; N204-D207 HydrophobicContact CB-CB 4.25Å; N204-D207 WeakPolarHBondContact ND2-CA 3.35Å; N204-D207 PolarHBondContact ND2-N 3.01Å; N204-D207 WeakPolarHBondContact O-CB 3.29Å; N204-D207 PolarHBondContact O-N 3.1Å; E205-D207 PolarHBondContact O-N 3.04Å; D207-K209 PolarHBondContact OD2-N 3.43Å; D207-G210 PolarHBondContact OD2-N 3.12Å; D207-H211 IonicContact OD1-CE1 3.29Å; D207-H211 IonicContact OD1-CG 2.68Å; D207-H211 IonicContact OD1-ND1 3.99Å; D207-H211 PolarHBondContact OD1-ND1 3.35Å; D207-H211 WeakPolarHBondContact OD2-CB 3.46Å; D207-H211 IonicContact OD2-CG 2.7Å; D207-H211 PolarHBondContact OD2-N 3Å; D207-H211 VanDerWaalsContact OD2-N 3.11Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.17Å; D207-I213 HydrophobicContact CB-CD1 4.27Å; D207-I213 HydrophobicContact CB-CG1 4.21Å | ||
| 208 | D | 88.7 | Confident | 93.1 | Very high | 122 Ų | 122 | 51.2 Ų | 51.2 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -86.5 | -9.1 | -177.8 | 59.8 | -42 | 0 | 0 | 0 | 113.9 | ||
| 209 | K | 88.2 | Confident | 93.2 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -104.6 | 11.6 | -164.2 | -72.8 | 164.6 | -176.6 | 80.2 | 0 | 113.6 | D207 H211 | D207-K209 PolarHBondContact OD2-N 3.43Å; K209-H211 PolarHBondContact O-N 2.86Å |
| 210 | G | 87.9 | Confident | 93.2 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | trans | 63.7 | 20.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D207 | D207-G210 PolarHBondContact OD2-N 3.12Š| ||
| 211 | H | 93.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 151.2 | 171 | -55 | 136.4 | 0 | 0 | 0 | 109.9 | A117 R175 K200 T202 D207 K209 I213 | A117-H211 PolarHBondContact O-CE1 2.81Å; R175-H211 VanDerWaalsContact CD-O 3.27Å; R175-H211 WeakPolarHBondContact CD-O 3.39Å; R175-H211 PolarHBondContact NH1-O 3.29Å; R175-H211 VanDerWaalsContact NH1-O 3.1Å; K200-H211 VanDerWaalsContact CD-CD2 3.41Å; K200-H211 WeakPolarHBondContact CD-CD2 3.36Å; K200-H211 WeakPolarHBondContact CD-NE2 3.43Å; K200-H211 PolarHBondContact NZ-NE2 2.76Å; T202-H211 HydrophobicContact CG2-CB 3.71Å; D207-H211 IonicContact OD1-CE1 3.29Å; D207-H211 IonicContact OD1-CG 2.68Å; D207-H211 IonicContact OD1-ND1 3.99Å; D207-H211 PolarHBondContact OD1-ND1 3.35Å; D207-H211 WeakPolarHBondContact OD2-CB 3.46Å; D207-H211 IonicContact OD2-CG 2.7Å; D207-H211 PolarHBondContact OD2-N 3Å; D207-H211 VanDerWaalsContact OD2-N 3.11Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.17Å; K209-H211 PolarHBondContact O-N 2.86Å; H211-I213 PolarHBondContact O-N 3.42Å |
| 212 | I | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.3 | 176.8 | -71.7 | 175.2 | 0 | 0 | 0 | 108.4 | V144 R175 M199 K200 L201 T202 L214 | V144-I212 HydrophobicContact CB-CG2 4.04Å; V144-I212 HydrophobicContact CG2-CD1 4.43Å; V144-I212 HydrophobicContact CG2-CG2 4.04Å; R175-I212 HydrophobicContact CB-CG1 4.24Å; R175-I212 WeakPolarHBondContact O-CG1 3.2Å; M199-I212 HydrophobicContact CE-CD1 3.73Å; M199-I212 HydrophobicContact CG-CD1 4.37Å; M199-I212 HydrophobicContact SD-CD1 4.08Å; K200-I212 PolarHBondContact O-N 3.29Å; K200-I212 VanDerWaalsContact O-N 3.11Å; L201-I212 WeakPolarHBondContact CA-O 3.44Å; L201-I212 HydrophobicContact CD2-CB 4.22Å; L201-I212 HydrophobicContact CD2-CG2 4.12Å; T202-I212 PolarHBondContact N-O 3Å; I212-L214 HydrophobicContact CG2-CD2 4.06Å; I212-L214 HydrophobicContact CG2-CG 4.25Å |
| 213 | I | 94.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.1 | -176.1 | -58.2 | 170.7 | 0 | 0 | 0 | 108.5 | T202 N204 E205 D207 H211 | T202-I213 HydrophobicContact CG2-CB 4.28Å; T202-I213 HydrophobicContact CG2-CG1 3.73Å; N204-I213 WeakPolarHBondContact O-CG1 3.48Å; E205-I213 HydrophobicContact CG-CG2 4.32Å; E205-I213 WeakPolarHBondContact O-CD1 3.14Å; D207-I213 HydrophobicContact CB-CD1 4.27Å; D207-I213 HydrophobicContact CB-CG1 4.21Å; H211-I213 PolarHBondContact O-N 3.42Å |
| 214 | L | 94.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -133.5 | 147 | 174.8 | -54.8 | 175.5 | 0 | 0 | 0 | 110.2 | I114 V144 L201 T202 I212 Y220 F256 T258 | I114-L214 WeakPolarHBondContact CD1-O 3.27Å; V144-L214 HydrophobicContact CB-CD2 4.1Å; V144-L214 HydrophobicContact CG1-CD1 4.04Å; V144-L214 HydrophobicContact CG1-CD2 3.7Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CD1-CD1 3.91Å; L201-L214 HydrophobicContact CD2-CD1 3.76Å; L201-L214 HydrophobicContact CD2-CG 4.5Å; L201-L214 HydrophobicContact CG-CD1 4.21Å; T202-L214 PolarHBondContact O-N 2.86Å; I212-L214 HydrophobicContact CG2-CD2 4.06Å; I212-L214 HydrophobicContact CG2-CG 4.25Å; L214-Y220 HydrophobicContact CB-CE2 3.95Å; L214-Y220 HydrophobicContact CD1-CD2 4.29Å; L214-Y220 HydrophobicContact CD1-CG 4.41Å; L214-Y220 HydrophobicContact CD2-CD1 3.7Å; L214-Y220 HydrophobicContact CD2-CD2 4.38Å; L214-Y220 HydrophobicContact CD2-CE1 3.59Å; L214-Y220 HydrophobicContact CD2-CE2 4.24Å; L214-Y220 HydrophobicContact CD2-CG 4.11Å; L214-Y220 HydrophobicContact CG-CE2 4.47Å; L214-F256 HydrophobicContact CD1-CE2 4.04Å; L214-F256 HydrophobicContact CD1-CZ 4.19Å; L214-T258 HydrophobicContact CB-CG2 3.89Å; L214-T258 HydrophobicContact CD1-CG2 3.58Å; L214-T258 HydrophobicContact CG-CG2 4.4Å | ||
| 215 | Q | 93.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | trans | -76.9 | 147.9 | 169.4 | -74.8 | 166.5 | -20.8 | 0 | 0 | 109.6 | H169 I172 Y220 T258 | H169-Q215 PolarHBondContact CE1-OE1 2.93Å; H169-Q215 PolarHBondContact ND1-OE1 2.78Å; I172-Q215 HydrophobicContact CD1-CB 4.35Å; I172-Q215 HydrophobicContact CD1-CG 3.81Å; I172-Q215 HydrophobicContact CG1-CG 4.4Å; Q215-Y220 PolarHBondContact N-OH 3.06Å; Q215-Y220 VanDerWaalsContact N-OH 3.11Å; Q215-T258 WeakPolarHBondContact O-CB 3.39Å; Q215-T258 PolarHBondContact O-OG1 3.46Å | ||
| 216 | S | 95.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 154.1 | 174.8 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | H218 T260 | S216-H218 PolarHBondContact O-ND1 2.97Å; S216-T260 PolarHBondContact OG-N 2.86Å |
| 217 | M | 95.6 | Very high | 93.5 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 15% | 0.148 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 32 | 176.2 | -46.1 | -59.7 | -76.5 | 0 | 0 | 114.5 | R151 Y152 W161 T258 V259 Q263 | R151-M217 HydrophobicContact CG-CB 4.42Å; Y152-M217 PolarHBondContact N-O 2.71Å; Y152-M217 WeakPolarHBondContact O-CB 3.36Å; W161-M217 HydrophobicContact CH2-CE 4.06Å; W161-M217 HydrophobicContact CZ3-CE 3.71Å; M217-T258 VanDerWaalsContact CA-O 3.32Å; M217-T258 WeakPolarHBondContact CA-O 3.32Å; M217-T258 PolarHBondContact N-O 2.86Å; M217-T258 PolarHBondContact N-OG1 2.78Å; M217-V259 HydrophobicContact SD-CG1 4.1Å; M217-Q263 HydrophobicContact CE-CG 4.47Å |
| 218 | H | 95.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | trans | -128.5 | 157.9 | 177.1 | -66.6 | 89.9 | 0 | 0 | 0 | 110.5 | K150 R151 H169 S216 Y220 T257 T258 | K150-H218 PolarHBondContact O-CD2 2.9Å; R151-H218 WeakPolarHBondContact CA-NE2 3.49Å; R151-H218 WeakPolarHBondContact CB-NE2 3.41Å; H169-H218 AromaticContact CE1-CD2 3.2Å; H169-H218 PolarHBondContact CE1-CD2 2.93Å; H169-H218 AromaticContact CE1-CG 3.57Å; H169-H218 AromaticContact CE1-NE2 3.67Å; H169-H218 AromaticContact NE2-CD2 3.43Å; H169-H218 PolarHBondContact NE2-CD2 3.34Å; H169-H218 AromaticContact NE2-CG 3.99Å; S216-H218 PolarHBondContact O-ND1 2.97Å; H218-Y220 HydrophobicContact CB-CD2 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.68Å; H218-T257 WeakPolarHBondContact O-CA 3.45Å; H218-T258 PolarHBondContact N-OG1 2.96Å; H218-T258 PolarHBondContact O-N 3.09Å; H218-T258 PolarHBondContact O-OG1 3.24Å; H218-T258 VanDerWaalsContact O-OG1 3.11Å | ||
| 219 | K | 95.8 | Very high | 93.1 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.5 | -179.9 | -74 | -179.5 | -178.7 | 169 | 0 | 111.4 | P146 V147 Y152 F256 | P146-K219 WeakPolarHBondContact CA-O 3.22Å; V147-K219 HydrophobicContact CB-CB 3.96Å; V147-K219 HydrophobicContact CG2-CB 4.33Å; V147-K219 PolarHBondContact N-O 3.2Å; Y152-K219 HydrophobicContact CD2-CD 4.42Å; Y152-K219 HydrophobicContact CD2-CG 4.09Å; Y152-K219 HydrophobicContact CE1-CD 4.39Å; Y152-K219 HydrophobicContact CE2-CB 4.36Å; Y152-K219 HydrophobicContact CE2-CD 3.65Å; Y152-K219 HydrophobicContact CE2-CG 3.72Å; Y152-K219 VanDerWaalsContact CZ-NZ 3.33Å; Y152-K219 WeakPolarHBondContact OH-CE 3.47Å; Y152-K219 PolarHBondContact OH-NZ 2.97Å; K219-F256 WeakPolarHBondContact CA-O 3.44Å |
| 220 | Y | 96.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.4 | -177.5 | -67.8 | -84.3 | 0 | 0 | 0 | 111.9 | V144 V145 P146 I172 L214 Q215 H218 E255 F256 T258 | V144-Y220 HydrophobicContact CG1-CD1 3.95Å; V144-Y220 HydrophobicContact CG1-CG 4Å; V145-Y220 CarbonylContact O-C 3.55Å; V145-Y220 VanDerWaalsContact O-CA 3.27Å; V145-Y220 WeakPolarHBondContact O-CA 3.33Å; V145-Y220 WeakPolarHBondContact O-CD1 3.27Å; P146-Y220 HydrophobicContact CB-CD1 4.22Å; P146-Y220 HydrophobicContact CB-CE1 4.07Å; I172-Y220 WeakPolarHBondContact CD1-OH 3.31Å; L214-Y220 HydrophobicContact CB-CE2 3.95Å; L214-Y220 HydrophobicContact CD1-CD2 4.29Å; L214-Y220 HydrophobicContact CD1-CG 4.41Å; L214-Y220 HydrophobicContact CD2-CD1 3.7Å; L214-Y220 HydrophobicContact CD2-CD2 4.38Å; L214-Y220 HydrophobicContact CD2-CE1 3.59Å; L214-Y220 HydrophobicContact CD2-CE2 4.24Å; L214-Y220 HydrophobicContact CD2-CG 4.11Å; L214-Y220 HydrophobicContact CG-CE2 4.47Å; Q215-Y220 PolarHBondContact N-OH 3.06Å; Q215-Y220 VanDerWaalsContact N-OH 3.11Å; H218-Y220 HydrophobicContact CB-CD2 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.68Å; Y220-E255 WeakPolarHBondContact O-CA 3.39Å; Y220-F256 PolarHBondContact N-O 2.69Å; Y220-F256 PolarHBondContact O-N 2.94Å; Y220-T258 HydrophobicContact CD2-CG2 3.56Å; Y220-T258 HydrophobicContact CE2-CG2 3.72Å |
| 221 | K | 95.7 | Very high | 91 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 20% | 0.204 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.8 | 173.9 | 178.4 | 155 | 49.4 | -155.7 | 0 | 109.5 | V145 V147 E255 | V145-K221 HydrophobicContact CG2-CB 4.37Å; V145-K221 WeakPolarHBondContact CG2-O 3.45Å; V145-K221 PolarHBondContact N-O 2.9Å; V145-K221 PolarHBondContact O-N 3.01Å; V147-K221 HydrophobicContact CG2-CB 3.89Å; K221-E255 HydrophobicContact CB-CG 4Å; K221-E255 HydrophobicContact CD-CG 3.8Å; K221-E255 WeakPolarHBondContact CD-OE1 3.24Å; K221-E255 WeakPolarHBondContact CE-OE1 3.38Å; K221-E255 HydrophobicContact CG-CG 4.12Å; K221-E255 IonicContact NZ-OE1 2.69Å; K221-E255 PolarHBondContact NZ-OE1 2.83Å |
| 222 | P | 96.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.1 | 169.2 | 30.3 | -31.3 | 0 | 0 | 0 | 110.6 | V125 I142 D143 V144 T254 | V125-P222 HydrophobicContact CG2-CB 4.41Å; V125-P222 HydrophobicContact CG2-CG 4.15Å; I142-P222 HydrophobicContact CD1-CB 4.04Å; I142-P222 HydrophobicContact CG1-CB 4.26Å; D143-P222 VanDerWaalsContact O-CA 3.31Å; D143-P222 WeakPolarHBondContact O-CA 3.34Å; V144-P222 HydrophobicContact CG2-CB 4.44Å; P222-T254 WeakPolarHBondContact CD-O 3.49Å; P222-T254 WeakPolarHBondContact CG-OG1 3.38Å |
| 223 | R | 95.5 | Very high | 87.4 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.7 | 167.3 | -56.1 | 155.8 | 60.7 | -152.4 | 10.1 | 108.4 | I142 D143 V145 T248 F249 | I142-R223 CarbonylContact C-O 3.54Å; I142-R223 VanDerWaalsContact CA-O 3.27Å; I142-R223 WeakPolarHBondContact CA-O 3.22Å; I142-R223 WeakPolarHBondContact CG1-O 3.4Å; D143-R223 PolarHBondContact N-O 3.19Å; D143-R223 PolarHBondContact O-N 2.68Å; D143-R223 VanDerWaalsContact OD1-CB 3.22Å; D143-R223 WeakPolarHBondContact OD1-CB 3.43Å; D143-R223 VanDerWaalsContact OD1-CD 3.3Å; D143-R223 WeakPolarHBondContact OD1-CD 3.47Å; D143-R223 WeakPolarHBondContact OD1-CG 3.42Å; D143-R223 PolarHBondContact OD1-N 2.95Å; D143-R223 IonicContact OD2-CZ 3.97Å; D143-R223 IonicContact OD2-NE 3.76Å; D143-R223 IonicContact OD2-NH1 2.67Å; D143-R223 PolarHBondContact OD2-NH1 2.93Å; V145-R223 HydrophobicContact CG2-CG 4.14Å; R223-T248 HydrophobicContact CB-CG2 4.08Å; R223-T248 HydrophobicContact CG-CG2 4.46Å; R223-F249 CarbonylContact C-O 3.6Å; R223-F249 WeakPolarHBondContact CA-O 3.45Å |
| 224 | V | 95.9 | Very high | 85.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.7 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | M94 V125 V127 V140 A141 I142 F196 F249 | M94-V224 HydrophobicContact CE-CB 4.12Å; M94-V224 HydrophobicContact CE-CG1 3.63Å; M94-V224 HydrophobicContact SD-CB 3.71Å; M94-V224 HydrophobicContact SD-CG1 3.75Å; M94-V224 HydrophobicContact SD-CG2 4.34Å; V125-V224 HydrophobicContact CG1-CG2 4.04Å; V127-V224 HydrophobicContact CG1-CG2 4.34Å; V127-V224 HydrophobicContact CG2-CG1 4.38Å; V140-V224 HydrophobicContact CG1-CG1 4.18Å; A141-V224 WeakPolarHBondContact O-CA 3.3Å; A141-V224 WeakPolarHBondContact O-CG1 3.44Å; I142-V224 HydrophobicContact CD1-CG2 4.19Å; I142-V224 HydrophobicContact CG1-CG2 4.23Å; F196-V224 HydrophobicContact CE2-CG1 3.85Å; F196-V224 HydrophobicContact CE2-CG2 3.91Å; F196-V224 HydrophobicContact CZ-CG1 3.9Å; V224-F249 PolarHBondContact N-O 3.25Å; V224-F249 PolarHBondContact O-N 3.3Å |
| 225 | H | 93.8 | Very high | 84 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | -176.7 | -52.5 | -87.3 | 0 | 0 | 0 | 109.5 | V140 A141 D143 I227 L241 V246 K247 T248 | V140-H225 WeakPolarHBondContact CA-O 3.43Å; A141-H225 PolarHBondContact N-O 3.3Å; A141-H225 PolarHBondContact O-N 3.43Å; D143-H225 IonicContact OD1-NE2 3.88Å; D143-H225 IonicContact OD2-CE1 3.51Å; D143-H225 IonicContact OD2-NE2 3.76Å; D143-H225 PolarHBondContact OD2-NE2 3.42Å; H225-I227 HydrophobicContact CB-CG1 4.43Å; H225-L241 HydrophobicContact CB-CD2 3.56Å; H225-V246 HydrophobicContact CB-CG1 4.11Å; H225-K247 WeakPolarHBondContact CA-O 3.42Å; H225-T248 PolarHBondContact ND1-OG1 2.89Å |
| 226 | V | 93.3 | Very high | 82.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.5 | 163.9 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | M94 L132 Y138 K247 F249 | M94-V226 HydrophobicContact CE-CG2 3.71Å; L132-V226 HydrophobicContact CD2-CG1 3.85Å; Y138-V226 HydrophobicContact CD1-CG1 3.63Å; Y138-V226 HydrophobicContact CE1-CG1 4.37Å; Y138-V226 HydrophobicContact CG-CG1 4.13Å; V226-K247 PolarHBondContact N-O 3.31Å; V226-K247 PolarHBondContact O-N 3.12Å; V226-F249 HydrophobicContact CG2-CE2 4.09Å |
| 227 | I | 90.4 | Very high | 80 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122 | -179 | -41.7 | -178.6 | 0 | 0 | 0 | 107.2 | Y138 Y139 H225 L235 L241 V246 | Y138-I227 CarbonylContact C-O 3.55Å; Y138-I227 VanDerWaalsContact CA-O 3.3Å; Y138-I227 WeakPolarHBondContact CA-O 3.45Å; Y139-I227 PolarHBondContact N-O 2.84Å; Y139-I227 PolarHBondContact O-N 2.84Å; H225-I227 HydrophobicContact CB-CG1 4.43Å; I227-L235 HydrophobicContact CB-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD2 3.84Å; I227-L235 HydrophobicContact CG2-CD1 3.8Å; I227-L241 HydrophobicContact CD1-CD2 3.83Å; I227-L241 HydrophobicContact CD1-CG 4.04Å; I227-V246 HydrophobicContact CB-CG2 4.36Å; I227-V246 HydrophobicContact CD1-CG2 4.23Å; I227-V246 HydrophobicContact CG1-CG1 4.32Å; I227-V246 HydrophobicContact CG1-CG2 3.95Å; I227-V246 HydrophobicContact CG2-CG2 3.83Å |
| 228 | E | 88.9 | Confident | 78.2 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139.7 | 173 | -162.3 | 157.8 | 112.4 | 0 | 0 | 109.8 | K136 Y138 D230 G245 | K136-E228 HydrophobicContact CD-CG 4.1Å; K136-E228 VanDerWaalsContact CD-OE1 3.23Å; K136-E228 WeakPolarHBondContact CD-OE1 3.43Å; K136-E228 WeakPolarHBondContact CD-OE2 3.33Å; K136-E228 WeakPolarHBondContact CE-OE1 3.33Å; K136-E228 IonicContact NZ-OE1 3.2Å; K136-E228 PolarHBondContact NZ-OE1 2.93Å; K136-E228 IonicContact NZ-OE2 3.62Å; Y138-E228 HydrophobicContact CD1-CB 4.01Å; Y138-E228 HydrophobicContact CD1-CG 4.2Å; Y138-E228 HydrophobicContact CE1-CB 3.69Å; Y138-E228 HydrophobicContact CE1-CG 3.62Å; Y138-E228 WeakPolarHBondContact CE1-OE2 3.26Å; Y138-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y138-E228 PolarHBondContact OH-OE2 3.22Å; E228-D230 PolarHBondContact O-N 3.46Å; E228-D230 VanDerWaalsContact O-N 3.15Å; E228-G245 PolarHBondContact N-O 3.16Å |
| 229 | Q | 81.4 | Confident | 76.2 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | trans | -83.5 | 88.7 | 177.7 | -176.5 | 171.9 | 12.6 | 0 | 0 | 110.4 | Q137 Y139 | Q137-Q229 HydrophobicContact CB-CB 3.91Å; Q137-Q229 VanDerWaalsContact CB-OE1 3.23Å; Q137-Q229 WeakPolarHBondContact O-CB 3.5Å; Q137-Q229 PolarHBondContact O-N 2.94Å; Y139-Q229 HydrophobicContact CD2-CB 4.21Å; Y139-Q229 HydrophobicContact CE2-CB 3.94Å; Y139-Q229 HydrophobicContact CE2-CG 3.81Å | ||
| 230 | D | 71.9 | Confident | 74.4 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | trans | -66.2 | 141.8 | 160.5 | -76.3 | -48.8 | 0 | 0 | 0 | 110.6 | E228 S232 V233 | E228-D230 PolarHBondContact O-N 3.46Å; E228-D230 VanDerWaalsContact O-N 3.15Å; D230-S232 PolarHBondContact O-N 3.49Å; D230-V233 PolarHBondContact O-N 3.13Å | ||
| 231 | S | 58.4 | Low | 72.7 | Confident | 135 Ų | 135 | 63 Ų | 63 | 94% | 0.944 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.6 | -172.7 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 232 | S | 57.3 | Low | 71.1 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 73% | 0.727 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -12.3 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | D230 | D230-S232 PolarHBondContact O-N 3.49Š|
| 233 | V | 56.3 | Low | 69.1 | Low | 56 Ų | 56 | 69.5 Ų | 69.5 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | trans | -125.7 | 107.3 | -168.8 | -171.7 | 0 | 0 | 0 | 0 | 113 | D230 L235 L238 | D230-V233 PolarHBondContact O-N 3.13Å; V233-L235 PolarHBondContact O-N 3.36Å; V233-L238 HydrophobicContact CG1-CD1 3.51Å; V233-L238 HydrophobicContact CG1-CG 4.23Å | ||
| 234 | D | 56.6 | Low | 67.4 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -82.7 | 100.8 | 167.6 | 179.1 | 5.1 | 0 | 0 | 0 | 110.8 | S236 Q237 | D234-S236 PolarHBondContact O-N 3.39Å; D234-S236 VanDerWaalsContact O-N 3.08Å; D234-S236 VanDerWaalsContact OD1-CB 3.24Å; D234-S236 WeakPolarHBondContact OD1-CB 3.34Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.04Å; D234-S236 PolarHBondContact OD2-OG 3.27Å; D234-Q237 PolarHBondContact O-N 3.1Å; D234-Q237 PolarHBondContact OD2-NE2 3.12Å | ||
| 235 | L | 60.9 | Low | 66.1 | Low | 11 Ų | 11 | 75.4 Ų | 75.4 | 6% | 0.058 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10 | 178.7 | -79.3 | 156.9 | 0 | 0 | 0 | 114.6 | Y139 I227 V233 Q237 L238 P242 | Y139-L235 HydrophobicContact CD1-CB 4.17Å; Y139-L235 HydrophobicContact CD1-CD1 4.05Å; Y139-L235 HydrophobicContact CD2-CD1 3.41Å; Y139-L235 VanDerWaalsContact CD2-CD1 3.41Å; Y139-L235 HydrophobicContact CE1-CB 4.11Å; Y139-L235 HydrophobicContact CE1-CD1 4.46Å; Y139-L235 HydrophobicContact CE2-CD1 3.87Å; Y139-L235 HydrophobicContact CG-CB 4.47Å; Y139-L235 HydrophobicContact CG-CD1 3.5Å; Y139-L235 VanDerWaalsContact CG-CD1 3.5Å; I227-L235 HydrophobicContact CB-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD2 3.84Å; I227-L235 HydrophobicContact CG2-CD1 3.8Å; V233-L235 PolarHBondContact O-N 3.36Å; L235-Q237 PolarHBondContact O-N 2.92Å; L235-L238 HydrophobicContact CD2-CD1 4.14Å; L235-P242 HydrophobicContact CD2-CG 4.05Å |
| 236 | S | 53.7 | Low | 65.6 | Low | 97 Ų | 97 | 76.8 Ų | 76.8 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.9 | 171.6 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | D234 | D234-S236 PolarHBondContact O-N 3.39Å; D234-S236 VanDerWaalsContact O-N 3.08Å; D234-S236 VanDerWaalsContact OD1-CB 3.24Å; D234-S236 WeakPolarHBondContact OD1-CB 3.34Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.04Å; D234-S236 PolarHBondContact OD2-OG 3.27Å |
| 237 | Q | 51.7 | Low | 65.5 | Low | 154 Ų | 154 | 80.2 Ų | 80.2 | 72% | 0.72 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -105.2 | -11.1 | -175.9 | -57.1 | -177.3 | 44.5 | 0 | 0 | 113.5 | D234 L235 | D234-Q237 PolarHBondContact O-N 3.1Å; D234-Q237 PolarHBondContact OD2-NE2 3.12Å; L235-Q237 PolarHBondContact O-N 2.92Å |
| 238 | L | 56.8 | Low | 65.6 | Low | 66 Ų | 66 | 82.7 Ų | 82.7 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | trans | -85.8 | 127.4 | -177.6 | -69.5 | -171.6 | 0 | 0 | 0 | 112.8 | F176 V233 L235 S240 P242 | F176-L238 WeakPolarHBondContact CZ-O 2.98Å; V233-L238 HydrophobicContact CG1-CD1 3.51Å; V233-L238 HydrophobicContact CG1-CG 4.23Å; L235-L238 HydrophobicContact CD2-CD1 4.14Å; L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 WeakPolarHBondContact CB-O 3.31Å; L238-S240 PolarHBondContact O-N 3.28Å; L238-P242 HydrophobicContact CD1-CG 3.83Å | ||
| 239 | Q | 54.2 | Low | 65.9 | Low | 151 Ų | 151 | 82.1 Ų | 82.1 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -78.4 | -11.3 | 174.7 | -169.5 | 170.5 | -8.9 | 0 | 0 | 113.1 | ||
| 240 | S | 56.8 | Low | 66.5 | Low | 80 Ų | 80 | 81.4 Ų | 81.4 | 56% | 0.559 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -143.4 | 150 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | L238 | L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 WeakPolarHBondContact CB-O 3.31Å; L238-S240 PolarHBondContact O-N 3.28Å |
| 241 | L | 60.9 | Low | 67.6 | Low | 39 Ų | 39 | 79 Ų | 79 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | trans | -63 | 147.6 | 174.1 | -76.5 | 79.5 | 0 | 0 | 0 | 110.9 | F176 H225 I227 V246 | F176-L241 HydrophobicContact CB-CD1 3.85Å; F176-L241 HydrophobicContact CD1-CD1 3.53Å; F176-L241 HydrophobicContact CD2-CD1 4.27Å; F176-L241 HydrophobicContact CE1-CD1 4.11Å; F176-L241 HydrophobicContact CG-CD1 3.63Å; H225-L241 HydrophobicContact CB-CD2 3.56Å; I227-L241 HydrophobicContact CD1-CD2 3.83Å; I227-L241 HydrophobicContact CD1-CG 4.04Å; L241-V246 HydrophobicContact CD2-CG1 3.98Å | ||
| 242 | P | 61.4 | Low | 69.4 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 24% | 0.24 | 45% | 0.448 | C | S | . | . | trans | -57.2 | 153.7 | 167.8 | -23 | 33.6 | 0 | 0 | 0 | 112.3 | L235 L238 V246 | L235-P242 HydrophobicContact CD2-CG 4.05Å; L238-P242 HydrophobicContact CD1-CG 3.83Å; P242-V246 HydrophobicContact CB-CG2 4.12Å; P242-V246 HydrophobicContact CG-CG2 4.46Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å | ||
| 243 | T | 55 | Low | 71.3 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 93% | 0.933 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -81.4 | -28.2 | 171.4 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 244 | E | 60.2 | Low | 73.2 | Confident | 165 Ų | 165 | 74.5 Ų | 74.5 | 77% | 0.771 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -100.1 | 149.5 | -176.6 | -163.2 | 158.7 | -152.2 | 0 | 0 | 110.1 | V246 | E244-V246 PolarHBondContact O-N 3.19Å; E244-V246 VanDerWaalsContact O-N 3.07Å |
| 245 | G | 69.3 | Low | 75.2 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 69.2 | -2.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | E228 | E228-G245 PolarHBondContact N-O 3.16Š|
| 246 | V | 82.9 | Confident | 76.9 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 106.1 | -175.7 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | H225 I227 L241 P242 E244 | H225-V246 HydrophobicContact CB-CG1 4.11Å; I227-V246 HydrophobicContact CB-CG2 4.36Å; I227-V246 HydrophobicContact CD1-CG2 4.23Å; I227-V246 HydrophobicContact CG1-CG1 4.32Å; I227-V246 HydrophobicContact CG1-CG2 3.95Å; I227-V246 HydrophobicContact CG2-CG2 3.83Å; L241-V246 HydrophobicContact CD2-CG1 3.98Å; P242-V246 HydrophobicContact CB-CG2 4.12Å; P242-V246 HydrophobicContact CG-CG2 4.46Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å; E244-V246 PolarHBondContact O-N 3.19Å; E244-V246 VanDerWaalsContact O-N 3.07Å |
| 247 | K | 89.5 | Confident | 79 | Confident | 76 Ų | 76 | 69 Ų | 69 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.4 | 169.1 | -60.9 | -158.3 | -175.1 | -171.1 | 0 | 110.4 | I92 H225 V226 F249 | I92-K247 HydrophobicContact CB-CD 4.08Å; I92-K247 HydrophobicContact CD1-CD 3.84Å; I92-K247 HydrophobicContact CG1-CD 4.29Å; H225-K247 WeakPolarHBondContact CA-O 3.42Å; V226-K247 PolarHBondContact N-O 3.31Å; V226-K247 PolarHBondContact O-N 3.12Å; K247-F249 HydrophobicContact CB-CE2 3.92Å; K247-F249 HydrophobicContact CB-CZ 4.07Å |
| 248 | T | 92.9 | Very high | 81.2 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.2 | -173.6 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | R223 H225 | R223-T248 HydrophobicContact CB-CG2 4.08Å; R223-T248 HydrophobicContact CG-CG2 4.46Å; H225-T248 PolarHBondContact ND1-OG1 2.89Å |
| 249 | F | 94.9 | Very high | 83.1 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.2 | 179.4 | -56.3 | -83.8 | 0 | 0 | 0 | 110.7 | I92 M94 R223 V224 V226 K247 | I92-F249 HydrophobicContact CB-CZ 4.24Å; I92-F249 HydrophobicContact CG2-CE2 4.22Å; I92-F249 HydrophobicContact CG2-CZ 3.82Å; I92-F249 WeakPolarHBondContact O-CE1 3.3Å; I92-F249 WeakPolarHBondContact O-CZ 3.43Å; M94-F249 HydrophobicContact CB-CB 4.14Å; M94-F249 HydrophobicContact CB-CD1 3.73Å; M94-F249 HydrophobicContact CB-CD2 4.11Å; M94-F249 HydrophobicContact CB-CE1 4.19Å; M94-F249 HydrophobicContact CB-CG 3.69Å; M94-F249 HydrophobicContact CE-CB 4.29Å; M94-F249 HydrophobicContact CE-CD2 3.37Å; M94-F249 HydrophobicContact CE-CE2 3.96Å; M94-F249 HydrophobicContact CE-CG 3.97Å; M94-F249 HydrophobicContact CG-CB 4.48Å; M94-F249 HydrophobicContact CG-CG 4.39Å; M94-F249 HydrophobicContact SD-CB 3.67Å; M94-F249 HydrophobicContact SD-CD2 3.92Å; M94-F249 HydrophobicContact SD-CG 3.89Å; R223-F249 CarbonylContact C-O 3.6Å; R223-F249 WeakPolarHBondContact CA-O 3.45Å; V224-F249 PolarHBondContact N-O 3.25Å; V224-F249 PolarHBondContact O-N 3.3Å; V226-F249 HydrophobicContact CG2-CE2 4.09Å; K247-F249 HydrophobicContact CB-CE2 3.92Å; K247-F249 HydrophobicContact CB-CZ 4.07Å |
| 250 | S | 94.9 | Very high | 85.2 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.1 | 173.3 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 251 | F | 96.1 | Very high | 87.1 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | trans | -118.5 | 135.9 | -174.9 | -57.1 | -80.7 | 0 | 0 | 0 | 109.9 | M94 L96 V127 E253 T254 | M94-F251 HydrophobicContact CB-CZ 4.37Å; M94-F251 HydrophobicContact CG-CZ 4.13Å; M94-F251 HydrophobicContact SD-CE2 4.38Å; M94-F251 HydrophobicContact SD-CZ 4.5Å; L96-F251 HydrophobicContact CB-CD1 3.86Å; L96-F251 HydrophobicContact CB-CD2 4.13Å; L96-F251 HydrophobicContact CB-CE1 3.83Å; L96-F251 HydrophobicContact CB-CE2 4.11Å; L96-F251 HydrophobicContact CB-CG 4.02Å; L96-F251 HydrophobicContact CB-CZ 3.96Å; L96-F251 HydrophobicContact CD1-CD2 4.15Å; L96-F251 HydrophobicContact CD1-CE2 4.42Å; L96-F251 HydrophobicContact CD2-CB 4.02Å; L96-F251 HydrophobicContact CD2-CD1 4.43Å; L96-F251 HydrophobicContact CD2-CD2 4.43Å; L96-F251 HydrophobicContact CD2-CG 4.04Å; L96-F251 HydrophobicContact CG-CD2 4.47Å; L96-F251 HydrophobicContact CG-CG 4.44Å; V127-F251 HydrophobicContact CG1-CE2 4.06Å; F251-E253 HydrophobicContact CB-CG 4.48Å; F251-T254 HydrophobicContact CB-CG2 3.89Å; F251-T254 PolarHBondContact O-N 3.49Å; F251-T254 PolarHBondContact O-OG1 2.81Å | ||
| 252 | K | 95.5 | Very high | 88.8 | Confident | 161 Ų | 161 | 55.2 Ų | 55.2 | 70% | 0.7 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -71 | -37 | -175.2 | -65.7 | -177.1 | -179 | 179 | 0 | 111.4 | H106 T254 E255 | H106-K252 PolarHBondContact CE1-O 2.64Å; H106-K252 PolarHBondContact ND1-O 2.93Å; K252-T254 PolarHBondContact O-N 3.49Å; K252-T254 VanDerWaalsContact O-N 3.16Å; K252-E255 WeakPolarHBondContact O-CB 3.29Å; K252-E255 WeakPolarHBondContact O-CG 3.39Å; K252-E255 PolarHBondContact O-N 2.8Å |
| 253 | E | 96.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -65.4 | -14 | 175.2 | 61.3 | -94.5 | -111.8 | 0 | 0 | 113.8 | L96 W102 K103 H106 F251 | L96-E253 HydrophobicContact CD2-CG 3.58Å; W102-E253 HydrophobicContact CB-CB 4.19Å; W102-E253 HydrophobicContact CB-CG 3.88Å; K103-E253 HydrophobicContact CG-CB 4.13Å; H106-E253 HydrophobicContact CB-CB 4.33Å; F251-E253 HydrophobicContact CB-CG 4.48Å |
| 254 | T | 97.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -89.3 | 0.6 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | L96 W102 P222 F251 K252 F256 | L96-T254 HydrophobicContact CD1-CG2 4.01Å; L96-T254 HydrophobicContact CD2-CG2 3.7Å; W102-T254 HydrophobicContact CD2-CG2 3.85Å; W102-T254 HydrophobicContact CE3-CG2 3.98Å; W102-T254 HydrophobicContact CG-CG2 4.28Å; W102-T254 HydrophobicContact CH2-CG2 4.42Å; W102-T254 HydrophobicContact CZ2-CG2 4.34Å; W102-T254 HydrophobicContact CZ3-CG2 4.25Å; P222-T254 WeakPolarHBondContact CD-O 3.49Å; P222-T254 WeakPolarHBondContact CG-OG1 3.38Å; F251-T254 HydrophobicContact CB-CG2 3.89Å; F251-T254 PolarHBondContact O-N 3.49Å; F251-T254 PolarHBondContact O-OG1 2.81Å; K252-T254 PolarHBondContact O-N 3.49Å; K252-T254 VanDerWaalsContact O-N 3.16Å; T254-F256 WeakPolarHBondContact O-CD1 3.18Å |
| 255 | E | 97.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 25% | 0.247 | C | C | . | . | trans | -65 | 137.2 | 172.6 | -67 | -175.6 | -176.1 | 0 | 0 | 111.5 | T110 V147 Y220 K221 K252 | T110-E255 WeakPolarHBondContact CB-O 3.48Å; T110-E255 PolarHBondContact OG1-O 2.62Å; V147-E255 HydrophobicContact CG2-CG 4.27Å; Y220-E255 WeakPolarHBondContact O-CA 3.39Å; K221-E255 HydrophobicContact CB-CG 4Å; K221-E255 HydrophobicContact CD-CG 3.8Å; K221-E255 WeakPolarHBondContact CD-OE1 3.24Å; K221-E255 WeakPolarHBondContact CE-OE1 3.38Å; K221-E255 HydrophobicContact CG-CG 4.12Å; K221-E255 IonicContact NZ-OE1 2.69Å; K221-E255 PolarHBondContact NZ-OE1 2.83Å; K252-E255 WeakPolarHBondContact O-CB 3.29Å; K252-E255 WeakPolarHBondContact O-CG 3.39Å; K252-E255 PolarHBondContact O-N 2.8Å | ||
| 256 | F | 97.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.6 | -178.4 | 64.1 | -100.8 | 0 | 0 | 0 | 113.9 | T110 M112 M121 V144 L201 L214 K219 Y220 T254 T258 | T110-F256 HydrophobicContact CG2-CB 3.67Å; T110-F256 CarbonylContact O-C 3.55Å; T110-F256 VanDerWaalsContact O-CA 3.24Å; T110-F256 WeakPolarHBondContact O-CA 3.16Å; T110-F256 WeakPolarHBondContact O-CB 3.45Å; M112-F256 HydrophobicContact CB-CD2 3.64Å; M112-F256 HydrophobicContact CB-CE2 3.9Å; M112-F256 HydrophobicContact CB-CG 4.19Å; M112-F256 HydrophobicContact CE-CD1 4.43Å; M112-F256 HydrophobicContact CG-CB 3.86Å; M112-F256 HydrophobicContact CG-CD1 3.92Å; M112-F256 HydrophobicContact CG-CD2 3.48Å; M112-F256 VanDerWaalsContact CG-CD2 3.48Å; M112-F256 HydrophobicContact CG-CE1 4.32Å; M112-F256 HydrophobicContact CG-CE2 3.91Å; M112-F256 HydrophobicContact CG-CG 3.49Å; M112-F256 VanDerWaalsContact CG-CG 3.49Å; M112-F256 HydrophobicContact CG-CZ 4.32Å; M121-F256 HydrophobicContact SD-CE1 4.22Å; M121-F256 HydrophobicContact SD-CZ 4.47Å; V144-F256 HydrophobicContact CG1-CZ 4.01Å; L201-F256 HydrophobicContact CD1-CE2 3.95Å; L201-F256 HydrophobicContact CD1-CZ 3.86Å; L214-F256 HydrophobicContact CD1-CE2 4.04Å; L214-F256 HydrophobicContact CD1-CZ 4.19Å; K219-F256 WeakPolarHBondContact CA-O 3.44Å; Y220-F256 PolarHBondContact N-O 2.69Å; Y220-F256 PolarHBondContact O-N 2.94Å; T254-F256 WeakPolarHBondContact O-CD1 3.18Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 3.85Å |
| 257 | T | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.3 | 167.5 | -50.2 | 0 | 0 | 0 | 0 | 109.9 | T110 E111 M112 W161 H218 | T110-T257 PolarHBondContact O-N 3.26Å; E111-T257 WeakPolarHBondContact CA-O 3.31Å; M112-T257 PolarHBondContact N-O 3.08Å; W161-T257 HydrophobicContact CE3-CG2 4.41Å; W161-T257 HydrophobicContact CH2-CG2 3.65Å; W161-T257 HydrophobicContact CZ2-CG2 4.01Å; W161-T257 HydrophobicContact CZ3-CG2 3.88Å; H218-T257 WeakPolarHBondContact O-CA 3.45Å |
| 258 | T | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 139.3 | 172.4 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | I114 L214 Q215 M217 H218 Y220 F256 | I114-T258 HydrophobicContact CG2-CG2 3.94Å; L214-T258 HydrophobicContact CB-CG2 3.89Å; L214-T258 HydrophobicContact CD1-CG2 3.58Å; L214-T258 HydrophobicContact CG-CG2 4.4Å; Q215-T258 WeakPolarHBondContact O-CB 3.39Å; Q215-T258 PolarHBondContact O-OG1 3.46Å; M217-T258 VanDerWaalsContact CA-O 3.32Å; M217-T258 WeakPolarHBondContact CA-O 3.32Å; M217-T258 PolarHBondContact N-O 2.86Å; M217-T258 PolarHBondContact N-OG1 2.78Å; H218-T258 PolarHBondContact N-OG1 2.96Å; H218-T258 PolarHBondContact O-N 3.09Å; H218-T258 PolarHBondContact O-OG1 3.24Å; H218-T258 VanDerWaalsContact O-OG1 3.11Å; Y220-T258 HydrophobicContact CD2-CG2 3.56Å; Y220-T258 HydrophobicContact CE2-CG2 3.72Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 3.85Å |
| 259 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.5 | 177.9 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | E111 M112 I113 I114 W161 M217 A261 Y262 Q263 | E111-V259 HydrophobicContact CB-CG2 4.04Å; M112-V259 PolarHBondContact O-N 2.76Å; I113-V259 CarbonylContact C-O 3.4Å; I113-V259 VanDerWaalsContact CA-O 3.27Å; I113-V259 WeakPolarHBondContact CA-O 3.49Å; I113-V259 HydrophobicContact CD1-CG2 4.01Å; I114-V259 PolarHBondContact N-O 3Å; W161-V259 HydrophobicContact CH2-CG1 3.81Å; W161-V259 HydrophobicContact CZ2-CG1 4.3Å; M217-V259 HydrophobicContact SD-CG1 4.1Å; V259-A261 WeakPolarHBondContact CB-O 3.39Å; V259-Y262 HydrophobicContact CG2-CD1 4.33Å; V259-Q263 HydrophobicContact CG1-CG 4.02Å |
| 260 | T | 97.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 52% | 0.515 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -84.2 | -26.3 | 169.9 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | S216 | S216-T260 PolarHBondContact OG-N 2.86Š|
| 261 | A | 97 | Very high | 96.7 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 45% | 0.446 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -145.6 | 147.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V259 Q263 | V259-A261 WeakPolarHBondContact CB-O 3.39Å; A261-Q263 PolarHBondContact O-N 2.6Å; A261-Q263 PolarHBondContact O-NE2 2.86Å |
| 262 | Y | 97.7 | Very high | 96.6 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -61.1 | 137.7 | -177.6 | -65.3 | -59.7 | 0 | 0 | 0 | 112 | E111 I113 V259 I267 T268 K271 | E111-Y262 HydrophobicContact CB-CD1 3.93Å; E111-Y262 HydrophobicContact CB-CE1 4.24Å; E111-Y262 WeakPolarHBondContact OE2-CA 3.38Å; E111-Y262 WeakPolarHBondContact OE2-CD1 3.44Å; I113-Y262 HydrophobicContact CD1-CD1 3.99Å; I113-Y262 HydrophobicContact CD1-CD2 4.13Å; I113-Y262 HydrophobicContact CD1-CE1 4.01Å; I113-Y262 HydrophobicContact CD1-CE2 4.15Å; I113-Y262 HydrophobicContact CD1-CG 4.05Å; I113-Y262 HydrophobicContact CG1-CD1 4.1Å; I113-Y262 HydrophobicContact CG1-CD2 4.37Å; I113-Y262 HydrophobicContact CG1-CE1 3.58Å; I113-Y262 HydrophobicContact CG1-CE2 3.89Å; I113-Y262 HydrophobicContact CG1-CG 4.46Å; I113-Y262 VanDerWaalsContact CG1-CZ 3.46Å; V259-Y262 HydrophobicContact CG2-CD1 4.33Å; Y262-I267 HydrophobicContact CD1-CG2 4.18Å; Y262-I267 HydrophobicContact CE1-CG2 4.26Å; Y262-T268 VanDerWaalsContact CB-OG1 3.3Å; Y262-T268 WeakPolarHBondContact CB-OG1 3.27Å; Y262-K271 HydrophobicContact CE1-CD 4.36Å; Y262-K271 HydrophobicContact CE1-CG 4.14Å; Y262-K271 HydrophobicContact CE2-CG 4.3Å | ||
| 263 | Q | 97.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | trans | -98.5 | -53 | 179.9 | -52.4 | -64.7 | -74.1 | 0 | 0 | 110.6 | E111 Y154 Y156 W161 M217 V259 A261 Q265 | E111-Q263 PolarHBondContact OE1-N 3.33Å; E111-Q263 PolarHBondContact OE2-N 3.17Å; Y154-Q263 HydrophobicContact CD1-CB 3.78Å; Y154-Q263 HydrophobicContact CD2-CB 4.22Å; Y154-Q263 HydrophobicContact CE1-CB 4.49Å; Y154-Q263 HydrophobicContact CG-CB 3.61Å; Y154-Q263 HydrophobicContact CG-CG 4.49Å; Y156-Q263 VanDerWaalsContact OH-CD 3.25Å; Y156-Q263 PolarHBondContact OH-OE1 2.88Å; W161-Q263 HydrophobicContact CH2-CB 4.29Å; W161-Q263 HydrophobicContact CH2-CG 3.77Å; W161-Q263 HydrophobicContact CZ2-CB 4.19Å; W161-Q263 HydrophobicContact CZ2-CG 4.14Å; M217-Q263 HydrophobicContact CE-CG 4.47Å; V259-Q263 HydrophobicContact CG1-CG 4.02Å; A261-Q263 PolarHBondContact O-N 2.6Å; A261-Q263 PolarHBondContact O-NE2 2.86Å; Q263-Q265 PolarHBondContact O-N 3.11Å | ||
| 264 | N | 95.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | trans | -80.5 | 118.4 | 176.9 | -173 | -8.7 | 0 | 0 | 0 | 111.4 | I108 E111 Y154 Q266 I267 T268 | I108-N264 VanDerWaalsContact CG2-ND2 3.31Å; I108-N264 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N264 PolarHBondContact O-ND2 3.37Å; E111-N264 WeakPolarHBondContact OE1-CB 3.27Å; E111-N264 PolarHBondContact OE1-N 3.38Å; Y154-N264 HydrophobicContact CE2-CB 4Å; N264-Q266 VanDerWaalsContact C-N 3.25Å; N264-Q266 PolarHBondContact ND2-OE1 3.45Å; N264-Q266 PolarHBondContact O-N 3.45Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; N264-I267 HydrophobicContact CB-CB 4.44Å; N264-I267 HydrophobicContact CB-CG1 3.99Å; N264-I267 WeakPolarHBondContact O-CB 3.37Å; N264-I267 PolarHBondContact O-N 3.28Å; N264-I267 VanDerWaalsContact O-N 3.13Å; N264-T268 PolarHBondContact O-N 3.29Å; N264-T268 VanDerWaalsContact O-N 3.17Å; N264-T268 PolarHBondContact O-OG1 3.16Å | ||
| 265 | Q | 95.1 | Very high | 96.4 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 54% | 0.537 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -24.6 | 177.9 | -63.4 | -59.2 | -31.1 | 0 | 0 | 113.7 | Q263 T268 K269 | Q263-Q265 PolarHBondContact O-N 3.11Å; Q265-T268 PolarHBondContact O-N 2.67Å; Q265-K269 WeakPolarHBondContact O-CG 3.43Å; Q265-K269 PolarHBondContact O-N 2.91Å |
| 266 | Q | 96.1 | Very high | 96.2 | Very high | 118 Ų | 118 | 50.6 Ų | 50.6 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 172.7 | -63.4 | 173.5 | -26.7 | 0 | 0 | 111 | I108 N264 K269 L270 | I108-Q266 HydrophobicContact CG2-CB 3.68Å; N264-Q266 VanDerWaalsContact C-N 3.25Å; N264-Q266 PolarHBondContact ND2-OE1 3.45Å; N264-Q266 PolarHBondContact O-N 3.45Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; Q266-K269 PolarHBondContact O-N 3.4Å; Q266-L270 PolarHBondContact O-N 3.11Å |
| 267 | I | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 171.8 | -61.3 | -68.6 | 0 | 0 | 0 | 109.4 | F105 I108 G109 E111 Y262 N264 K269 L270 K271 | F105-I267 HydrophobicContact CD1-CD1 3.98Å; F105-I267 HydrophobicContact CD1-CG2 4.43Å; F105-I267 HydrophobicContact CE1-CG2 4.33Å; I108-I267 HydrophobicContact CB-CD1 3.67Å; I108-I267 HydrophobicContact CB-CG1 4.49Å; I108-I267 HydrophobicContact CG2-CD1 3.47Å; I108-I267 VanDerWaalsContact CG2-CD1 3.47Å; I108-I267 HydrophobicContact CG2-CG1 3.74Å; G109-I267 VanDerWaalsContact O-CD1 3.29Å; G109-I267 WeakPolarHBondContact O-CD1 3.5Å; E111-I267 HydrophobicContact CB-CG2 4.08Å; E111-I267 HydrophobicContact CG-CG1 4.31Å; E111-I267 HydrophobicContact CG-CG2 4.45Å; Y262-I267 HydrophobicContact CD1-CG2 4.18Å; Y262-I267 HydrophobicContact CE1-CG2 4.26Å; N264-I267 HydrophobicContact CB-CB 4.44Å; N264-I267 HydrophobicContact CB-CG1 3.99Å; N264-I267 WeakPolarHBondContact O-CB 3.37Å; N264-I267 PolarHBondContact O-N 3.28Å; N264-I267 VanDerWaalsContact O-N 3.13Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 3.24Å; I267-L270 PolarHBondContact O-N 2.83Å; I267-L270 VanDerWaalsContact O-N 3.16Å; I267-K271 HydrophobicContact CG2-CD 4.33Å; I267-K271 HydrophobicContact CG2-CG 3.87Å; I267-K271 WeakPolarHBondContact O-CG 3.46Å; I267-K271 PolarHBondContact O-N 2.89Å |
| 268 | T | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.3 | -47.6 | 178 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | Y262 N264 Q265 K271 I272 | Y262-T268 VanDerWaalsContact CB-OG1 3.3Å; Y262-T268 WeakPolarHBondContact CB-OG1 3.27Å; N264-T268 PolarHBondContact O-N 3.29Å; N264-T268 VanDerWaalsContact O-N 3.17Å; N264-T268 PolarHBondContact O-OG1 3.16Å; Q265-T268 PolarHBondContact O-N 2.67Å; T268-K271 PolarHBondContact O-N 3.13Å; T268-I272 HydrophobicContact CG2-CD1 4Å; T268-I272 VanDerWaalsContact O-CG1 3.31Å; T268-I272 WeakPolarHBondContact O-CG1 3.43Å; T268-I272 PolarHBondContact O-N 3.18Å |
| 269 | K | 95.6 | Very high | 95.2 | Very high | 138 Ų | 138 | 66.7 Ų | 66.7 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -51 | 176.1 | -71 | -179.5 | 180 | -171.6 | 0 | 112.1 | Q265 Q266 I267 K271 I272 E273 | Q265-K269 WeakPolarHBondContact O-CG 3.43Å; Q265-K269 PolarHBondContact O-N 2.91Å; Q266-K269 PolarHBondContact O-N 3.4Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 3.24Å; K269-K271 VanDerWaalsContact C-N 3.31Å; K269-K271 PolarHBondContact O-N 2.77Å; K269-I272 WeakPolarHBondContact O-CA 3.3Å; K269-I272 WeakPolarHBondContact O-CB 3.34Å; K269-I272 PolarHBondContact O-N 2.93Å; K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å |
| 270 | L | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 179.9 | -171.7 | 64.8 | 0 | 0 | 0 | 112.4 | R104 F105 I108 Q266 I267 R274 | R104-L270 HydrophobicContact CB-CD2 4.13Å; R104-L270 WeakPolarHBondContact O-CD2 3.45Å; F105-L270 HydrophobicContact CD1-CD2 3.68Å; F105-L270 HydrophobicContact CD1-CG 4.28Å; F105-L270 HydrophobicContact CD2-CD2 4.23Å; F105-L270 HydrophobicContact CE1-CB 3.87Å; F105-L270 HydrophobicContact CE1-CD2 3.6Å; F105-L270 HydrophobicContact CE1-CG 3.67Å; F105-L270 HydrophobicContact CE2-CD2 4.18Å; F105-L270 HydrophobicContact CE2-CG 4.21Å; F105-L270 HydrophobicContact CG-CD2 3.98Å; F105-L270 HydrophobicContact CZ-CB 4.16Å; F105-L270 HydrophobicContact CZ-CD2 3.86Å; F105-L270 HydrophobicContact CZ-CG 3.63Å; I108-L270 HydrophobicContact CD1-CD2 3.95Å; Q266-L270 PolarHBondContact O-N 3.11Å; I267-L270 PolarHBondContact O-N 2.83Å; I267-L270 VanDerWaalsContact O-N 3.16Å; L270-R274 HydrophobicContact CD1-CG 3.69Å; L270-R274 HydrophobicContact CG-CG 4.25Å; L270-R274 VanDerWaalsContact O-CB 3.28Å; L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.39Å; L270-R274 PolarHBondContact O-N 3.2Å |
| 271 | K | 96.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 170.6 | -61 | -74.9 | -169.8 | -154.2 | 0 | 110.6 | F105 E111 F122 Y262 I267 T268 K269 N275 | F105-K271 HydrophobicContact CD1-CD 4.47Å; F105-K271 HydrophobicContact CE1-CD 3.56Å; F105-K271 HydrophobicContact CE1-CG 3.88Å; F105-K271 HydrophobicContact CZ-CD 3.72Å; F105-K271 HydrophobicContact CZ-CG 4.22Å; E111-K271 WeakPolarHBondContact O-CE 3.41Å; E111-K271 PolarHBondContact O-NZ 2.86Å; F122-K271 HydrophobicContact CD1-CD 3.86Å; F122-K271 PolarHBondContact O-NZ 3.16Å; Y262-K271 HydrophobicContact CE1-CD 4.36Å; Y262-K271 HydrophobicContact CE1-CG 4.14Å; Y262-K271 HydrophobicContact CE2-CG 4.3Å; I267-K271 HydrophobicContact CG2-CD 4.33Å; I267-K271 HydrophobicContact CG2-CG 3.87Å; I267-K271 WeakPolarHBondContact O-CG 3.46Å; I267-K271 PolarHBondContact O-N 2.89Å; T268-K271 PolarHBondContact O-N 3.13Å; K269-K271 VanDerWaalsContact C-N 3.31Å; K269-K271 PolarHBondContact O-N 2.77Å; K271-N275 WeakPolarHBondContact O-CB 3.36Å; K271-N275 PolarHBondContact O-N 3.29Å |
| 272 | I | 95.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 75 Ų | 75 | 22% | 0.221 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 178.4 | -72.6 | 166.3 | 0 | 0 | 0 | 111.6 | T268 K269 F281 R282 | T268-I272 HydrophobicContact CG2-CD1 4Å; T268-I272 VanDerWaalsContact O-CG1 3.31Å; T268-I272 WeakPolarHBondContact O-CG1 3.43Å; T268-I272 PolarHBondContact O-N 3.18Å; K269-I272 WeakPolarHBondContact O-CA 3.3Å; K269-I272 WeakPolarHBondContact O-CB 3.34Å; K269-I272 PolarHBondContact O-N 2.93Å; I272-F281 HydrophobicContact CD1-CB 4.04Å; I272-F281 HydrophobicContact CG1-CB 3.99Å; I272-F281 HydrophobicContact CG2-CB 3.9Å; I272-F281 WeakPolarHBondContact CG2-O 3.48Å; I272-R282 HydrophobicContact CG2-CB 4.42Å; I272-R282 HydrophobicContact CG2-CG 3.7Å; I272-R282 PolarHBondContact O-NE 3.35Å; I272-R282 PolarHBondContact O-NH2 3.32Å |
| 273 | E | 94.8 | Very high | 92.9 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 179.4 | -72.5 | 168.9 | -147 | 0 | 0 | 113.5 | K269 R282 | K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å; E273-R282 PolarHBondContact O-NE 3.34Å; E273-R282 PolarHBondContact O-NH1 2.85Å; E273-R282 VanDerWaalsContact O-NH1 3.16Å; E273-R282 PolarHBondContact O-NH2 3.46Å |
| 274 | R | 95.1 | Very high | 91 | Very high | 133 Ų | 133 | 84.3 Ų | 84.3 | 50% | 0.502 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -101.1 | -27.7 | -169.7 | -55.9 | -59.9 | -179.7 | 123.3 | -0.7 | 113.7 | L101 F122 L270 P276 | L101-R274 HydrophobicContact CD1-CB 4.02Å; L101-R274 HydrophobicContact CD1-CG 3.84Å; F122-R274 HydrophobicContact CE1-CB 4.08Å; F122-R274 VanDerWaalsContact CZ-C 3.46Å; F122-R274 HydrophobicContact CZ-CB 4.03Å; F122-R274 WeakPolarHBondContact CZ-O 3.37Å; L270-R274 HydrophobicContact CD1-CG 3.69Å; L270-R274 HydrophobicContact CG-CG 4.25Å; L270-R274 VanDerWaalsContact O-CB 3.28Å; L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.39Å; L270-R274 PolarHBondContact O-N 3.2Å; R274-P276 WeakPolarHBondContact O-CD 3.45Å |
| 275 | N | 94.2 | Very high | 89.1 | Confident | 19 Ų | 19 | 86.7 Ų | 86.7 | 10% | 0.102 | 45% | 0.451 | C | S | . | . | trans | -79.2 | 121.6 | 178.9 | -170.4 | -22.2 | 0 | 0 | 0 | 111 | F122 K271 F277 A278 R282 | F122-N275 HydrophobicContact CD1-CB 3.87Å; F122-N275 HydrophobicContact CD2-CB 3.98Å; F122-N275 HydrophobicContact CE1-CB 3.76Å; F122-N275 HydrophobicContact CE2-CB 3.88Å; F122-N275 HydrophobicContact CG-CB 3.99Å; F122-N275 VanDerWaalsContact CZ-CA 3.43Å; F122-N275 HydrophobicContact CZ-CB 3.78Å; K271-N275 WeakPolarHBondContact O-CB 3.36Å; K271-N275 PolarHBondContact O-N 3.29Å; N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.35Å; N275-F277 WeakPolarHBondContact OD1-CB 3.47Å; N275-F277 WeakPolarHBondContact OD1-CD2 3.18Å; N275-F277 PolarHBondContact OD1-N 3.37Å; N275-A278 HydrophobicContact CB-CB 3.99Å; N275-A278 PolarHBondContact O-N 3.36Å; N275-A278 VanDerWaalsContact O-N 3.1Å; N275-R282 PolarHBondContact O-NH2 3.31Å | ||
| 276 | P | 92.8 | Very high | 87.2 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -58.4 | -37.6 | 176 | -24.6 | 35.3 | 0 | 0 | 0 | 113 | R274 A278 K279 | R274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-A278 PolarHBondContact O-N 2.97Å; P276-K279 WeakPolarHBondContact O-CB 3.4Å; P276-K279 PolarHBondContact O-N 3.02Å; P276-K279 VanDerWaalsContact O-N 3.17Å |
| 277 | F | 91.4 | Very high | 85 | Confident | 190 Ų | 190 | 95.2 Ų | 95.2 | 83% | 0.833 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -71.7 | -9.2 | 179.4 | -57.5 | -73.8 | 0 | 0 | 0 | 113.5 | N275 | N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.35Å; N275-F277 WeakPolarHBondContact OD1-CB 3.47Å; N275-F277 WeakPolarHBondContact OD1-CD2 3.18Å; N275-F277 PolarHBondContact OD1-N 3.37Å |
| 278 | A | 91.9 | Very high | 82.8 | Confident | 14 Ų | 14 | 104.7 Ų | 104.7 | 12% | 0.116 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -101.9 | 7.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N275 P276 G280 F281 | N275-A278 HydrophobicContact CB-CB 3.99Å; N275-A278 PolarHBondContact O-N 3.36Å; N275-A278 VanDerWaalsContact O-N 3.1Å; P276-A278 PolarHBondContact O-N 2.97Å; A278-G280 PolarHBondContact O-N 3.21Å; A278-G280 VanDerWaalsContact O-N 3.1Å; A278-F281 PolarHBondContact O-N 3.47Å |
| 279 | K | 89.3 | Confident | 80.2 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -52.7 | -35.9 | -175.7 | -173.6 | -178.1 | 177.1 | -173.5 | 0 | 113.7 | P276 F281 R282 | P276-K279 WeakPolarHBondContact O-CB 3.4Å; P276-K279 PolarHBondContact O-N 3.02Å; P276-K279 VanDerWaalsContact O-N 3.17Å; K279-F281 PolarHBondContact O-N 3.14Å; K279-R282 WeakPolarHBondContact O-CB 3.43Å; K279-R282 PolarHBondContact O-N 3.36Å; K279-R282 VanDerWaalsContact O-N 3.12Å |
| 280 | G | 89.9 | Confident | 78.1 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 79% | 0.794 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -67.1 | -11.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A278 | A278-G280 PolarHBondContact O-N 3.21Å; A278-G280 VanDerWaalsContact O-N 3.1Å |
| 281 | F | 88.4 | Confident | 75.9 | Confident | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -99.4 | -2.1 | 173.8 | -61.9 | -77.9 | 0 | 0 | 0 | 113.3 | I272 A278 K279 | I272-F281 HydrophobicContact CD1-CB 4.04Å; I272-F281 HydrophobicContact CG1-CB 3.99Å; I272-F281 HydrophobicContact CG2-CB 3.9Å; I272-F281 WeakPolarHBondContact CG2-O 3.48Å; A278-F281 PolarHBondContact O-N 3.47Å; K279-F281 PolarHBondContact O-N 3.14Å |
| 282 | R | 90.4 | Very high | 73.3 | Confident | 84 Ų | 84 | 118.3 Ų | 118.3 | 32% | 0.317 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -75 | 133.3 | 170.5 | -58 | 175.4 | -165.5 | -173.5 | 6.4 | 107.5 | I272 E273 N275 K279 T284 | I272-R282 HydrophobicContact CG2-CB 4.42Å; I272-R282 HydrophobicContact CG2-CG 3.7Å; I272-R282 PolarHBondContact O-NE 3.35Å; I272-R282 PolarHBondContact O-NH2 3.32Å; E273-R282 PolarHBondContact O-NE 3.34Å; E273-R282 PolarHBondContact O-NH1 2.85Å; E273-R282 VanDerWaalsContact O-NH1 3.16Å; E273-R282 PolarHBondContact O-NH2 3.46Å; N275-R282 PolarHBondContact O-NH2 3.31Å; K279-R282 WeakPolarHBondContact O-CB 3.43Å; K279-R282 PolarHBondContact O-N 3.36Å; K279-R282 VanDerWaalsContact O-N 3.12Å; R282-T284 VanDerWaalsContact C-N 3.27Å; R282-T284 PolarHBondContact O-N 3.28Å; R282-T284 PolarHBondContact O-OG1 3.36Å |
| 283 | D | 72 | Confident | 70.9 | Confident | 170 Ų | 170 | 120.4 Ų | 120.4 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -61.4 | 80 | -171.4 | -67.1 | -67.1 | 0 | 0 | 0 | 113.5 | G285 | D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.48Å | ||
| 284 | T | 58.3 | Low | 68.8 | Low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | trans | -88.1 | 70.9 | -172.8 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | R282 R286 | R282-T284 VanDerWaalsContact C-N 3.27Å; R282-T284 PolarHBondContact O-N 3.28Å; R282-T284 PolarHBondContact O-OG1 3.36Å; T284-R286 PolarHBondContact O-N 2.88Å; T284-R286 VanDerWaalsContact O-N 3.08Å | ||
| 285 | G | 56.1 | Low | 66.5 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | trans | 63.3 | 24 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | D283 N287 R288 | D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.48Å; G285-N287 PolarHBondContact O-N 2.81Å; G285-R288 PolarHBondContact O-N 2.95Å | ||
| 286 | R | 54.2 | Low | 64 | Low | 245 Ų | 245 | 132.3 Ų | 132.3 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 48.6 | 174.1 | -161.2 | -169 | 175.9 | 179 | -0.6 | 112.7 | T284 | T284-R286 PolarHBondContact O-N 2.88Å; T284-R286 VanDerWaalsContact O-N 3.08Å |
| 287 | N | 50.5 | Low | 61.4 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.2 | 38.1 | 165.9 | -94.5 | -20.7 | 0 | 0 | 0 | 113.6 | G285 | G285-N287 PolarHBondContact O-N 2.81Š|
| 288 | R | 49.3 | Very low | 58.8 | Low | 198 Ų | 198 | 135.1 Ų | 135.1 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | -111.1 | 121.3 | 148.1 | -83.8 | -157.7 | -169.7 | -115.1 | -0.4 | 108.9 | G285 D292 | G285-R288 PolarHBondContact O-N 2.95Å; R288-D292 IonicContact CZ-OD2 2.75Å; R288-D292 IonicContact NE-OD2 3.9Å; R288-D292 IonicContact NH1-OD2 2.76Å; R288-D292 PolarHBondContact NH1-OD2 2.78Å | ||
| 289 | G | 41.9 | Very low | 56.6 | Low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | -90.3 | 118.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L291 | G289-L291 PolarHBondContact O-N 2.82Š| ||
| 290 | V | 51.7 | Low | 54.1 | Low | 155 Ų | 155 | 144 Ų | 144 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 63.1 | -22.9 | 144.7 | -177 | 0 | 0 | 0 | 0 | 119.5 | ||
| 291 | L | 49.2 | Very low | 51.6 | Low | 160 Ų | 160 | 150.7 Ų | 150.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.7 | 29.2 | -164.6 | -150 | 79 | 0 | 0 | 0 | 116.1 | G289 | G289-L291 PolarHBondContact O-N 2.82Š|
| 292 | D | 43.2 | Very low | 49 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 51% | 0.513 | 78% | 0.78 | S | S | . | * | trans | -141.4 | 19.4 | -177.9 | -144.2 | 4.2 | 0 | 0 | 0 | 113.6 | R288 L294 | R288-D292 IonicContact CZ-OD2 2.75Å; R288-D292 IonicContact NE-OD2 3.9Å; R288-D292 IonicContact NH1-OD2 2.76Å; R288-D292 PolarHBondContact NH1-OD2 2.78Å; D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 3.34Å | ||
| 293 | G | 44.5 | Very low | 46.2 | Very low | 87 Ų | 87 | 150.4 Ų | 150.4 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 27.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 294 | L | 49.6 | Very low | 44.5 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -7.7 | -170.3 | -150.7 | 104.9 | 0 | 0 | 0 | 115.9 | D292 | D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 3.34Å |
| 295 | L | 48.4 | Very low | 43.2 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -136.4 | 28.5 | -168.4 | -142 | 87.8 | 0 | 0 | 0 | 117.2 | ||
| 296 | E | 41.3 | Very low | 42.3 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -124.3 | 77.4 | 168.1 | -106.2 | -176.6 | -167.4 | 0 | 0 | 111.5 | ||||
| 297 | T | 38.8 | Very low | 41.2 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -83.1 | 124.5 | 173.2 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 298 | Y | 36.5 | Very low | 40.5 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 131.9 | -173.3 | -65.5 | -84.6 | 0 | 0 | 0 | 114.3 | W300 | Y298-W300 PolarHBondContact O-N 2.57Å; Y298-W300 VanDerWaalsContact O-N 3.12Å | ||
| 299 | P | 45.9 | Very low | 39.8 | Very low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -81.3 | 19.1 | 179.8 | 33.4 | -36.4 | 0 | 0 | 0 | 114.9 | ||
| 300 | W | 36.6 | Very low | 39.2 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -133.7 | 65.7 | -174.6 | -67.4 | 105.3 | 0 | 0 | 0 | 113.6 | Y298 | Y298-W300 PolarHBondContact O-N 2.57Å; Y298-W300 VanDerWaalsContact O-N 3.12Å | ||
| 301 | R | 36 | Very low | 38.3 | Very low | 218 Ų | 218 | 154.8 Ų | 154.8 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -137.7 | 138.2 | 159.2 | -77.3 | -63 | -160.1 | 177.5 | 5.6 | 109.1 | S303 | R301-S303 PolarHBondContact O-N 3.17Š| ||
| 302 | P | 35.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 120.7 | 165.3 | -10.1 | 26.3 | 0 | 0 | 0 | 109 | F304 | P302-F304 PolarHBondContact O-N 2.88Š| ||
| 303 | S | 30.5 | Very low | 37.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -75.8 | 113.3 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111 | R301 | R301-S303 PolarHBondContact O-N 3.17Š| ||
| 304 | F | 36.4 | Very low | 36.5 | Very low | 190 Ų | 190 | 154.1 Ų | 154.1 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -85.9 | 102.9 | 158.5 | 51 | -87.7 | 0 | 0 | 0 | 108.2 | P302 L306 | P302-F304 PolarHBondContact O-N 2.88Å; F304-L306 PolarHBondContact O-N 3.15Å | ||
| 305 | T | 31.8 | Very low | 35.7 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -75 | 107.5 | 174.2 | 41.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 306 | L | 37 | Very low | 34.9 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | trans | -85.5 | 108.9 | 167.9 | -148.9 | 79.8 | 0 | 0 | 0 | 108.6 | F304 F308 | F304-L306 PolarHBondContact O-N 3.15Å; L306-F308 HydrophobicContact CD2-CE2 3.84Å; L306-F308 HydrophobicContact CD2-CZ 4.35Å; L306-F308 PolarHBondContact O-N 2.83Å | ||
| 307 | D | 31.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | trans | -74.9 | 113.5 | 177.7 | 176.5 | 29.4 | 0 | 0 | 0 | 110.7 | K309 | D307-K309 WeakPolarHBondContact OD2-CE 3.41Å; D307-K309 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 308 | F | 36 | Very low | 33.9 | Very low | 173 Ų | 173 | 149 Ų | 149 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -101.1 | 96.1 | 168.2 | -89.9 | -74.2 | 0 | 0 | 0 | 109.5 | L306 T310 | L306-F308 HydrophobicContact CD2-CE2 3.84Å; L306-F308 HydrophobicContact CD2-CZ 4.35Å; L306-F308 PolarHBondContact O-N 2.83Å; F308-T310 PolarHBondContact O-N 2.96Å; F308-T310 VanDerWaalsContact O-N 3.08Å | ||
| 309 | K | 33.5 | Very low | 33.5 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -64 | 107 | 172.3 | -70.1 | -176.7 | 176.7 | 177.8 | 0 | 111.2 | D307 | D307-K309 WeakPolarHBondContact OD2-CE 3.41Å; D307-K309 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 310 | T | 30.9 | Very low | 32.8 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 135.4 | 164 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | F308 | F308-T310 PolarHBondContact O-N 2.96Å; F308-T310 VanDerWaalsContact O-N 3.08Å |
| 311 | F | 32.6 | Very low | 32.4 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.1 | 174.7 | -89.2 | -103.5 | 0 | 0 | 0 | 111.3 | ||
| 312 | G | 32.8 | Very low | 32.3 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94 | 145.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 313 | A | 33.8 | Very low | 31.9 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -148.1 | 134.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 314 | D | 31.1 | Very low | 33.3 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -79.7 | 157.4 | -166 | -51.1 | -97.3 | 0 | 0 | 0 | 114.4 | ||||
| 315 | T | 32.9 | Very low | 32.9 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | -155.8 | 150.6 | 123.8 | -71.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 316 | Q | 32.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 162.6 | -162.2 | -56.2 | 167.6 | -10.5 | 0 | 0 | 115.4 | ||||
| 317 | S | 29.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 74.9 | 135.8 | 143.8 | -157.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 318 | G | 28.7 | Very low | 32.6 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 156.2 | 114.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 319 | S | 30 | Very low | 32.1 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -94.6 | 147.4 | -179.4 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 320 | S | 31 | Very low | 31.9 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 52.5 | 120 | 148.1 | -56.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 321 | G | 27.9 | Very low | 32 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | 117.3 | 157.8 | 120.6 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 322 | S | 32.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 111 Ų | 111 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | 57.8 | 121.4 | 164.7 | 44.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 323 | S | 28.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 112.6 Ų | 112.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -87.4 | -170.2 | 146.9 | 64.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 324 | P | 58.2 | Low | 33.3 | Very low | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -131.8 | -146 | -11.7 | 24 | 3 | 0 | 0 | 0 | 111.1 | ||||
| 325 | V | 29.9 | Very low | 33.3 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 87.1 | 107.5 | 153.9 | 177.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 326 | T | 30.8 | Very low | 33.2 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 37.8 | 161.9 | 133.8 | 86.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 327 | S | 30.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -160.7 | 164.3 | 17.5 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 328 | S | 30.7 | Very low | 33.2 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 63.5 | 158.2 | 165.5 | 77.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 329 | G | 26.6 | Very low | 33.3 | Very low | 74 Ų | 74 | 112.2 Ų | 112.2 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | cis | 169.5 | 164.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 330 | G | 28.5 | Very low | 33.8 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 98.5 | 97.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 331 | A | 34.3 | Very low | 34.3 | Very low | 96 Ų | 96 | 112.6 Ų | 112.6 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | -71.6 | 159.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 332 | P | 40 | Very low | 34.5 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | -146.5 | 155.2 | 72.5 | 42.8 | -26.4 | 0 | 0 | 0 | 116.3 | |||||
| 333 | S | 34.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -67 | -176.7 | 151.8 | -38.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 334 | P | 50.8 | Low | 34.6 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -145.8 | -150.8 | 16.9 | 33.4 | -5.8 | 0 | 0 | 0 | 114.2 | ||||
| 335 | L | 31.7 | Very low | 33.4 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | 78 | 110.4 | 165.7 | -49.8 | -173.8 | 0 | 0 | 0 | 114.2 | ||||
| 336 | N | 30.2 | Very low | 33.2 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | 112.6 | 150.2 | 80.2 | -86 | -2.2 | 0 | 0 | 0 | 107.3 | |||||
| 337 | L | 30 | Very low | 33.3 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | -160.4 | 171.8 | -5 | -119.8 | 168.1 | 0 | 0 | 0 | 108 | ||||
| 338 | L | 31.4 | Very low | 33.2 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 121.3 | 159.5 | -64.4 | 155.8 | 0 | 0 | 0 | 120.1 | ||||
| 339 | S | 30.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -68.7 | 179.5 | 149.2 | -25 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | P | 41.4 | Very low | 33.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -139.4 | -140.2 | 15.8 | 45.9 | -24.5 | 0 | 0 | 0 | 111 | ||||
| 341 | P | 42.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -123.7 | -173.7 | -30.5 | 38.3 | -21.9 | 0 | 0 | 0 | 113.2 | ||||
| 342 | C | 31.1 | Very low | 33.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 72% | 0.716 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 154.7 | 170.7 | -47.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 343 | F | 28.6 | Very low | 33 | Very low | 210 Ų | 210 | 132.8 Ų | 132.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | -179.2 | 164.8 | 115.5 | -97.4 | -63.9 | 0 | 0 | 0 | 112.6 | |||||
| 344 | S | 34.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -87.6 | 148.5 | -168.7 | -44.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 345 | P | 34.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -81.7 | 146.4 | 170.7 | 33.2 | -33.8 | 0 | 0 | 0 | 112.8 | ||||
| 346 | M | 25.8 | Very low | 31.7 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -121.8 | 128.3 | 176.1 | 173.4 | 176.6 | 63.6 | 0 | 0 | 108.3 | H348 | M346-H348 WeakPolarHBondContact CE-NE2 3.35Š| ||
| 347 | F | 32 | Very low | 32.2 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -93 | 132 | -174.4 | -74.8 | -82.7 | 0 | 0 | 0 | 112.8 | ||||
| 348 | H | 28.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -124.9 | 148.5 | 169.4 | -73.4 | -96.6 | 0 | 0 | 0 | 109.9 | M346 | M346-H348 WeakPolarHBondContact CE-NE2 3.35Š| ||
| 349 | L | 32.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | -98.2 | 148.8 | 172.6 | -71.6 | 90.6 | 0 | 0 | 0 | 111.8 | ||||
| 350 | P | 34.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -103 | 171.3 | 154.4 | 37.3 | -29.1 | 0 | 0 | 0 | 112.3 | ||||
| 351 | T | 27.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -138.7 | 154.7 | -168.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 352 | S | 31.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 73.7 | 151 | 173 | 84.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 353 | S | 28.6 | Very low | 31 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -149.5 | -169.5 | 1.1 | 54.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 354 | L | 33 | Very low | 31.1 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | cis | -162.1 | 162.8 | 9.1 | -166.2 | 122.2 | 0 | 0 | 0 | 109.9 | ||||
| 355 | G | 26.5 | Very low | 30.8 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 118.8 | 138.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 356 | M | 31 | Very low | 30.8 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 153.1 | 174.4 | -93.7 | -68.1 | -73.4 | 0 | 0 | 108.2 | C358 | M356-C358 HydrophobicContact CE-CB 4.08Š| ||
| 357 | P | 41 | Very low | 30.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -142.5 | 174.3 | 84.2 | 35.4 | -16.6 | 0 | 0 | 0 | 116.2 | |||||
| 358 | C | 27.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -87.8 | 177.7 | -177.9 | -151.4 | 0 | 0 | 0 | 0 | 112.5 | M356 | M356-C358 HydrophobicContact CE-CB 4.08Š| ||
| 359 | P | 37.9 | Very low | 30.9 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | -140.3 | 144.9 | 95.7 | 38.2 | -26 | 0 | 0 | 0 | 116.8 | |||||
| 360 | E | 25.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | 16.4 | 118.3 | 146.5 | -122.1 | 59.8 | -153.7 | 0 | 0 | 120.8 | ||||
| 361 | A | 28.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | 178 | 126.8 | 99.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 362 | Y | 29.8 | Very low | 30.6 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 6.8 | 121.4 | 155.7 | -70.4 | -100.3 | 0 | 0 | 0 | 120.4 | ||||
| 363 | L | 32.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | -162.6 | 171.4 | 96.4 | -101 | 172.2 | 0 | 0 | 0 | 112.4 | |||||
| 364 | H | 30.2 | Very low | 30.4 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | -87 | 149.7 | -158.1 | -68 | -78.9 | 0 | 0 | 0 | 116.7 | ||||
| 365 | N | 28.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 47.4 | 142.3 | 138.1 | -63.2 | -35.5 | 0 | 0 | 0 | 120 | ||||
| 366 | V | 33.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | cis | -138.2 | 145.8 | 31 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 367 | N | 26 | Very low | 30.7 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -89 | 142.6 | 170.7 | -75.1 | -80.9 | 0 | 0 | 0 | 112 | ||||
| 368 | L | 31.1 | Very low | 30.3 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | 179.9 | 151.9 | 111.2 | -91.2 | 160.7 | 0 | 0 | 0 | 110.9 | |||||
| 369 | P | 31.7 | Very low | 30.5 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | -95.4 | 158.9 | -164.9 | 37 | -36.6 | 0 | 0 | 0 | 115.3 | C371 | P369-C371 PolarHBondContact O-N 3.03Š| ||
| 370 | L | 30.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 112.7 | 166.1 | -73.1 | 164.2 | 0 | 0 | 0 | 111 | ||||
| 371 | C | 29.8 | Very low | 30.2 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -106.5 | 99.6 | 169.4 | -81.2 | 0 | 0 | 0 | 0 | 110.8 | P369 | P369-C371 PolarHBondContact O-N 3.03Š| ||
| 372 | C | 27.5 | Very low | 30.2 | Very low | 128 Ų | 128 | 154 Ų | 154 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 132.1 | 169.6 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 373 | K | 25.5 | Very low | 30.1 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -132.8 | 110.5 | 172.5 | -160.8 | 171.1 | -173 | 176.7 | 0 | 110.7 | ||||
| 374 | I | 30.7 | Very low | 30.1 | Very low | 169 Ų | 169 | 151 Ų | 151 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -86.7 | 129.3 | 175 | -60.7 | 168 | 0 | 0 | 0 | 108 | ||||
| 375 | C | 28.9 | Very low | 30 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -133.8 | 146 | 167.5 | -80.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 376 | P | 36.6 | Very low | 30 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -90.6 | 165.8 | -174.3 | 36.2 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 377 | T | 30.7 | Very low | 30 | Very low | 114 Ų | 114 | 153 Ų | 153 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -12 | 131 | 166.7 | 52.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 378 | N | 32.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 59.4 | 99.8 | 130.9 | -54.8 | -11.3 | 0 | 0 | 0 | 120 | ||||
| 379 | F | 31.5 | Very low | 30.4 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -139 | 129.9 | 131.1 | -93.1 | -80.6 | 0 | 0 | 0 | 109.5 | ||||
| 380 | W | 30.9 | Very low | 30.8 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.924 | 81% | 0.814 | S | S | * | * | trans | -94.8 | 113.9 | 168.8 | -80.5 | 82.7 | 0 | 0 | 0 | 108.5 | ||||
| 381 | Q | 26.7 | Very low | 30.7 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -129.3 | 123.9 | 169.7 | -175.2 | 171.6 | 0.4 | 0 | 0 | 108.1 | ||||
| 382 | Q | 28.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -83.3 | 142.5 | 174.2 | -69.4 | -167.1 | -8.3 | 0 | 0 | 110.7 | ||||
| 383 | Q | 28.4 | Very low | 30.9 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -132.3 | 145.5 | 156.3 | -93.1 | -173 | -44.8 | 0 | 0 | 108.9 | ||||
| 384 | P | 31 | Very low | 31.1 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 144.2 | -176.2 | 32.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 385 | L | 29.2 | Very low | 31 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 131.2 | 166 | -103 | 75.5 | 0 | 0 | 0 | 110.2 | ||
| 386 | V | 28.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 129.1 | 167.4 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | ||
| 387 | L | 32.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 131.1 | 172.4 | -71.7 | 169.2 | 0 | 0 | 0 | 110.2 | ||
| 388 | P | 34.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 140 | 168 | 32.1 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 389 | A | 33 | Very low | 30.6 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 147 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 390 | P | 38.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 136.2 | 165.1 | 33.9 | -29.8 | 0 | 0 | 0 | 111.3 | ||
| 391 | E | 30.1 | Very low | 30.5 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 163.8 | 177 | -64.4 | -171 | 122.2 | 0 | 0 | 113.1 | ||
| 392 | R | 32 | Very low | 30.5 | Very low | 239 Ų | 239 | 144.5 Ų | 144.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 151.6 | 177.5 | -60.6 | 173.5 | 175.7 | 169.6 | -3.4 | 111.9 | ||
| 393 | L | 30 | Very low | 30.6 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -139.1 | 164.9 | 146.1 | -83.2 | -176.5 | 0 | 0 | 0 | 112.3 | ||||
| 394 | A | 28.3 | Very low | 31.1 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | -26.4 | 137.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 395 | S | 28.9 | Very low | 31.1 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | 81.3 | 105.8 | 37 | 84.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 396 | S | 32 | Very low | 31 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -148.2 | 142.8 | 162.1 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | N | 29.3 | Very low | 31.1 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | -103 | 142 | -169.2 | -60.9 | -38.1 | 0 | 0 | 0 | 113.6 | ||||
| 398 | S | 31 | Very low | 30.8 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -151 | 162.8 | 144.9 | 60.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 399 | S | 29.1 | Very low | 30.6 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | trans | -135.2 | 174.2 | -160.7 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 400 | Q | 31.1 | Very low | 30.7 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | 80.9 | 153.2 | 175.2 | -50.9 | 175.9 | 34.8 | 0 | 0 | 116 | ||||
| 401 | S | 27.7 | Very low | 30.3 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 84% | 0.836 | S | S | * | * | cis | -167.7 | 150.9 | -34.3 | -162.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 402 | L | 28.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | trans | 59.9 | 113.6 | 157.7 | -74.4 | 166.4 | 0 | 0 | 0 | 122.5 | ||||
| 403 | A | 29.9 | Very low | 30 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | 82.8 | 162.2 | 118.1 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 404 | P | 39.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | -117.4 | 173.1 | -141.2 | 42.7 | -34.5 | 0 | 0 | 0 | 116.1 | ||||
| 405 | L | 29.4 | Very low | 30.1 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -123.7 | 154.1 | 167.1 | -80.4 | 171.2 | 0 | 0 | 0 | 112 | ||||
| 406 | M | 28.9 | Very low | 30.1 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 93% | 0.931 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 166.6 | -171.6 | -57.9 | -175 | 85.9 | 0 | 0 | 112.8 | ||
| 407 | M | 29.3 | Very low | 30.1 | Very low | 183 Ų | 183 | 143 Ų | 143 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 119.2 | 174.4 | -173 | 174.5 | -174.1 | 0 | 0 | 109.1 | ||
| 408 | E | 26.5 | Very low | 30.1 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 154.4 | 176.4 | -76.5 | -164 | 127.8 | 0 | 0 | 112.8 | ||
| 409 | V | 29.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -130.7 | 118.9 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | M411 | V409-M411 PolarHBondContact O-N 2.97Š| ||
| 410 | P | 35 | Very low | 30.1 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.2 | 176 | -19.4 | 33 | 0 | 0 | 0 | 112.2 | ||
| 411 | M | 29.4 | Very low | 30.1 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 143.7 | 164.3 | -92.9 | -76.4 | -172.3 | 0 | 0 | 110.5 | V409 | V409-M411 PolarHBondContact O-N 2.97Š|
| 412 | L | 29.8 | Very low | 30.1 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -99 | 126.2 | 165.1 | -69.8 | 175.6 | 0 | 0 | 0 | 109.6 | ||
| 413 | S | 26.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | trans | -108.5 | 159.8 | -178.5 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 414 | S | 26.9 | Very low | 30 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 86% | 0.855 | S | S | * | * | trans | -110 | 139.5 | -174 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 415 | L | 33 | Very low | 29.5 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 95% | 0.953 | 85% | 0.85 | S | S | * | * | trans | -159.7 | 155.1 | 163.1 | -87.7 | 119.8 | 0 | 0 | 0 | 107 | ||||
| 416 | G | 28.7 | Very low | 29.6 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | cis | -178.2 | 138.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 417 | V | 31.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 79% | 0.788 | 84% | 0.843 | S | S | * | * | trans | -44.2 | 141.1 | -176.6 | 173.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 418 | T | 30.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 139 Ų | 139 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | trans | -147.5 | 152.6 | 137.4 | 41.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 419 | N | 29.6 | Very low | 29.5 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -106.2 | 157.3 | 178.6 | -69.1 | -53.4 | 0 | 0 | 0 | 112.3 | ||||
| 420 | S | 30 | Very low | 29.7 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -164.4 | 165.1 | 132.9 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 421 | K | 30.9 | Very low | 29.5 | Very low | 207 Ų | 207 | 136.6 Ų | 136.6 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -150.7 | 114 | -169.4 | 174.6 | -170.1 | 172.1 | -176.7 | 0 | 112.3 | ||||
| 422 | S | 28.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -171 | 163.8 | 163.5 | 49.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 423 | G | 27 | Very low | 29.5 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | cis | -178.5 | 148.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 424 | S | 28 | Very low | 29.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 138.9 | -165.5 | 53.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 425 | S | 28.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -178 | 116.8 | 144.4 | 52.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 426 | E | 32.4 | Very low | 30.3 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | 64.7 | 113.6 | 85.5 | -66.4 | 175.3 | 130.6 | 0 | 0 | 113.8 | |||||
| 427 | D | 28 | Very low | 30.3 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | -158.1 | -169.3 | 98.9 | -156.4 | -9.4 | 0 | 0 | 0 | 109.6 | |||||
| 428 | S | 28.7 | Very low | 30.4 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -131.7 | 171.6 | -146.5 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 429 | G | 26.1 | Very low | 30.4 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -166.1 | 107.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 430 | D | 33.9 | Very low | 30.4 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -103.6 | -177.3 | -150.9 | -141.8 | -18.6 | 0 | 0 | 0 | 114.8 | ||||
| 431 | Q | 30.9 | Very low | 30.5 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | trans | 96.3 | 136 | 161.3 | -49.6 | -168.7 | 23.1 | 0 | 0 | 117.6 | ||||
| 432 | Y | 28.2 | Very low | 30.6 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | cis | -158.6 | 143.1 | 8.3 | -138.4 | -146.1 | 0 | 0 | 0 | 113 | ||||
| 433 | L | 30.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | 61.2 | 150.9 | 154 | -60.3 | 179.8 | 0 | 0 | 0 | 119.6 | ||||
| 434 | Q | 26.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -154.1 | 164.4 | -24.7 | -139.6 | 170 | -1.2 | 0 | 0 | 108.9 | ||||
| 435 | A | 28.1 | Very low | 30.8 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -97.3 | -166.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 436 | P | 48.8 | Very low | 30.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -138.6 | -156.8 | -9.4 | 32.6 | -7.6 | 0 | 0 | 0 | 113.9 | ||||
| 437 | D | 28.5 | Very low | 30.6 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | 82 | 139.4 | 148.3 | -71.5 | -17.7 | 0 | 0 | 0 | 121.2 | ||||
| 438 | S | 34.4 | Very low | 30.7 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | cis | -163.5 | 170.6 | -5.1 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 439 | T | 29.7 | Very low | 31.5 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | 66.9 | 117.2 | 155.5 | 42.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 440 | S | 29.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | 90.1 | 138.3 | 70.8 | -73.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 441 | Q | 33.3 | Very low | 31.2 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | cis | -159.4 | 156.5 | 4.7 | -109.4 | 175 | 13 | 0 | 0 | 110.6 | ||||
| 442 | M | 31.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | 40.7 | 155.3 | 125.8 | -43.8 | -95.5 | 101.8 | 0 | 0 | 120.5 | |||||
| 443 | L | 31.5 | Very low | 31.1 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | cis | -168.4 | 169.2 | -16.5 | -130 | 61.6 | 0 | 0 | 0 | 106.7 | ||||
| 444 | Y | 29.8 | Very low | 31.2 | Very low | 203 Ų | 203 | 130 Ų | 130 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | cis | -133.2 | -129.6 | -8.2 | -154.3 | 156.7 | 0 | 0 | 0 | 108.7 | ||||
| 445 | G | 26.3 | Very low | 31.8 | Very low | 57 Ų | 57 | 127.1 Ų | 127.1 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | cis | 141 | 136.5 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 446 | L | 31.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | cis | -147.5 | 148.8 | 15.5 | -86.1 | 161.1 | 0 | 0 | 0 | 113.2 | ||||
| 447 | Q | 26.5 | Very low | 30.5 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 140.6 | 148.8 | -70.4 | 172 | -61.1 | 0 | 0 | 122.4 | ||||
| 448 | A | 29 | Very low | 30.4 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -114.9 | -158.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 449 | P | 45.5 | Very low | 30.1 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | cis | -124.6 | -176.1 | -8.1 | 34.6 | -13.3 | 0 | 0 | 0 | 112.6 | ||||
| 450 | G | 27.2 | Very low | 29.9 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | 169.8 | -159.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 451 | N | 27.8 | Very low | 29.8 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 133.4 | 177.3 | -64.3 | -18.7 | 0 | 0 | 0 | 115.2 | ||||
| 452 | I | 30 | Very low | 29.5 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -140.3 | 144.1 | 7.5 | -93.9 | 134.9 | 0 | 0 | 0 | 111.9 | ||||
| 453 | L | 26.6 | Very low | 29.5 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 8.1 | 128.4 | 157.1 | -54.8 | 171.1 | 0 | 0 | 0 | 121.9 | ||||
| 454 | L | 32.7 | Very low | 29.1 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -86.9 | 163.3 | 131.6 | -143.7 | 82.1 | 0 | 0 | 0 | 108.2 | ||||
| 455 | P | 38.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | -150 | 179.4 | 81.1 | 40 | -20.9 | 0 | 0 | 0 | 116.2 | |||||
| 456 | N | 26.6 | Very low | 28.8 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 179.7 | 169.2 | -58.8 | -45.7 | 0 | 0 | 0 | 111 | ||||
| 457 | S | 24.6 | Very low | 28.6 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | 174.8 | 163 | 55 | 58.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 458 | I | 25.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 75.9 | 122.8 | 140 | -76.4 | 161.4 | 0 | 0 | 0 | 120.9 | ||||
| 459 | T | 28.4 | Very low | 29 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 25.1 | 142 | 153.3 | 65.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 460 | Q | 24.6 | Very low | 28.2 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | -169.1 | 173.6 | 100 | -166.7 | 151.2 | 5.3 | 0 | 0 | 112.2 | |||||
| 461 | E | 27.4 | Very low | 28.5 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -67.1 | 157.5 | 178 | -49.8 | 130.7 | 113.1 | 0 | 0 | 114.1 | ||||
| 462 | A | 27.1 | Very low | 28.6 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -156.3 | 132 | 152.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 463 | L | 31.8 | Very low | 28.7 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 146.4 | 166.2 | -71.5 | 155 | 0 | 0 | 0 | 110.2 | ||||
| 464 | S | 24.4 | Very low | 29 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -152 | 98.3 | 162.5 | 42.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 465 | C | 23.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -76.3 | 135.9 | 164.3 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 466 | S | 25.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -126.4 | 102.2 | 170.9 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 467 | F | 27.5 | Very low | 28.5 | Very low | 204 Ų | 204 | 151.7 Ų | 151.7 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 133 | 165.5 | -76.5 | -93.5 | 0 | 0 | 0 | 109.5 | ||||
| 468 | H | 29.1 | Very low | 28.8 | Very low | 185 Ų | 185 | 156.8 Ų | 156.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -145.2 | 148.1 | 160.5 | -144 | -114.6 | 0 | 0 | 0 | 110 | ||||
| 469 | P | 32.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -99.3 | -174.2 | -150.2 | 39.3 | -37.1 | 0 | 0 | 0 | 115 | ||||
| 470 | S | 29.8 | Very low | 29 | Very low | 97 Ų | 97 | 159.3 Ų | 159.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 167.9 | -175.2 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 471 | Y | 32.9 | Very low | 29.4 | Very low | 236 Ų | 236 | 156.8 Ų | 156.8 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | 72.1 | 122.3 | 175 | -70.1 | -87 | 0 | 0 | 0 | 118.3 | ||||
| 472 | G | 30.5 | Very low | 29.5 | Very low | 64 Ų | 64 | 154.7 Ų | 154.7 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 162.8 | 75.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 473 | F | 31.7 | Very low | 29.7 | Very low | 217 Ų | 217 | 160.8 Ų | 160.8 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | trans | 65.2 | 144.2 | 154.5 | -65 | -84 | 0 | 0 | 0 | 121.9 | ||||
| 474 | Y | 33.8 | Very low | 29.8 | Very low | 209 Ų | 209 | 160.3 Ų | 160.3 | 82% | 0.82 | 82% | 0.817 | S | S | * | * | trans | -64.8 | 139.9 | 169 | -88.6 | -107.5 | 0 | 0 | 0 | 112 | Y476 | Y474-Y476 HydrophobicContact CD1-CE2 4.35Š| ||
| 475 | R | 25.9 | Very low | 30.1 | Very low | 217 Ų | 217 | 162.8 Ų | 162.8 | 82% | 0.819 | 82% | 0.82 | S | S | * | * | trans | -142.5 | 110.1 | 157.7 | -162.2 | 170.5 | -171 | 160.2 | 4.1 | 111.1 | ||||
| 476 | Y | 30.5 | Very low | 30.3 | Very low | 195 Ų | 195 | 165.4 Ų | 165.4 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | -67.5 | 129.1 | 166.7 | -78.1 | -94.1 | 0 | 0 | 0 | 109.2 | Y474 | Y474-Y476 HydrophobicContact CD1-CE2 4.35Š| ||
| 477 | N | 29.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 163 Ų | 163 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | trans | -124.5 | 116.7 | 166.2 | -78.7 | -28.8 | 0 | 0 | 0 | 108.3 | ||||
| 478 | F | 30.8 | Very low | 31 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 127.2 | 168.1 | -85.6 | -98.3 | 0 | 0 | 0 | 109.4 | ||||
| 479 | T | 26.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 157.8 Ų | 157.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -77 | 127.8 | 167.4 | 8.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 480 | M | 32.3 | Very low | 30.9 | Very low | 176 Ų | 176 | 161.7 Ų | 161.7 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -125.8 | 134.9 | 169.7 | -162.9 | 62 | 163.6 | 0 | 0 | 108.9 | ||||
| 481 | P | 34.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 164.4 Ų | 164.4 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -73.6 | 147.8 | -166.5 | -19.3 | 33.5 | 0 | 0 | 0 | 114.6 | ||||
| 482 | S | 28.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 162.1 Ų | 162.1 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -71.4 | 144.3 | 173.8 | 46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 483 | R | 31.9 | Very low | 30.4 | Very low | 226 Ų | 226 | 164.6 Ų | 164.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -139.1 | 121.7 | 163.9 | -76.6 | -167 | 174.3 | -157.8 | -1.2 | 111.4 | ||||
| 484 | L | 33.8 | Very low | 30.1 | Very low | 164 Ų | 164 | 160.4 Ų | 160.4 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | 49.7 | 101.7 | 144 | -56.8 | 172 | 0 | 0 | 0 | 118.3 | ||||
| 485 | I | 28.9 | Very low | 30 | Very low | 167 Ų | 167 | 157.1 Ų | 157.1 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -126.9 | 111.9 | 147.4 | -64.5 | 180 | 0 | 0 | 0 | 107.8 | ||||
| 486 | N | 29.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 154 Ų | 154 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -171.7 | 137.9 | 155.8 | -113.1 | -12.9 | 0 | 0 | 0 | 109.2 | ||||
| 487 | G | 29.1 | Very low | 30.3 | Very low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 128.8 | 94.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 488 | P | 37.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -84.7 | 134.9 | 174.6 | 32.9 | -32.6 | 0 | 0 | 0 | 112.8 | ||||
| 489 | N | 28.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | 16 | 120 | 149.7 | -54.6 | -18.1 | 0 | 0 | 0 | 119.7 | ||||
| 490 | H | 31.1 | Very low | 30.4 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | -144.6 | 141.6 | 126.9 | -146 | -77.8 | 0 | 0 | 0 | 111.9 | |||||
| 491 | L | 27.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -112.4 | 145 | -177.5 | -86.9 | 158.9 | 0 | 0 | 0 | 111.6 | ||||
| 492 | K | 26.8 | Very low | 30 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -163 | 130.1 | 141 | -94.5 | -163.2 | 174.6 | -179.4 | 0 | 106.8 | ||||
| 493 | V | 27.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | 66.8 | 119.3 | 66 | 169.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 494 | N | 26.6 | Very low | 29.9 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | cis | -144.7 | -174.2 | 4.4 | -120.4 | 34.6 | 0 | 0 | 0 | 108.8 | ||||
| 495 | D | 30.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | cis | -159.3 | 179 | 30.8 | -125.2 | -27.5 | 0 | 0 | 0 | 112.7 | ||||
| 496 | D | 30.1 | Very low | 29.8 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -72.2 | 150.2 | -169.4 | -80.3 | -48 | 0 | 0 | 0 | 118.4 | ||||
| 497 | S | 33.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -151.9 | 159.1 | 135.8 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 498 | Q | 30.8 | Very low | 30.1 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -116.4 | 160.8 | -147.9 | -119.4 | -177.3 | 24 | 0 | 0 | 115.4 | ||||
| 499 | V | 30.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | 72.9 | 137.4 | 152.7 | 168.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 500 | S | 28.3 | Very low | 30 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | cis | -150.3 | 171.1 | 9 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 501 | F | 29 | Very low | 29.9 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -68.8 | 146.8 | 169 | -79.2 | -118.7 | 0 | 0 | 0 | 113.7 | ||||
| 502 | R | 28.8 | Very low | 30.1 | Very low | 235 Ų | 235 | 157.8 Ų | 157.8 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | -166.2 | 172.6 | 105.5 | -120.4 | -178.5 | 178.4 | -95.1 | -2.2 | 115.4 | |||||
| 503 | E | 31.2 | Very low | 30.8 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -110.4 | 146.4 | -163.3 | 176.1 | -171.1 | -170.1 | 0 | 0 | 111.5 | ||||
| 504 | G | 28.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 153.4 Ų | 153.4 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -156 | 110.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 505 | K | 32.1 | Very low | 31.8 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 147.4 | -171.9 | -65.3 | 171.7 | 176.4 | 175.9 | 0 | 114.9 | ||||
| 506 | C | 29.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -84.2 | 154.8 | 157.7 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 507 | N | 30.9 | Very low | 32.6 | Very low | 159 Ų | 159 | 156 Ų | 156 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -123.1 | 154.3 | 170.3 | -81.3 | -34.4 | 0 | 0 | 0 | 110.8 | ||||
| 508 | H | 33.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 160.4 Ų | 160.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -73 | 161.5 | 177.6 | -75 | -102.2 | 0 | 0 | 0 | 113.6 | ||||
| 509 | V | 31.3 | Very low | 33.2 | Very low | 135 Ų | 135 | 163.3 Ų | 163.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | -166.9 | 149.5 | 116.1 | 141.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 510 | H | 33.2 | Very low | 33.3 | Very low | 153 Ų | 153 | 165.1 Ų | 165.1 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | trans | -77.7 | 155.7 | 176.5 | -75.2 | -99.3 | 0 | 0 | 0 | 113.2 | ||||
| 511 | W | 27.4 | Very low | 33.6 | Very low | 237 Ų | 237 | 168 Ų | 168 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -138.6 | 149.5 | 150.6 | -110.9 | 69.7 | 0 | 0 | 0 | 110.7 | ||||
| 512 | Y | 32.7 | Very low | 33.8 | Very low | 199 Ų | 199 | 166.1 Ų | 166.1 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | trans | -113 | 163.9 | 174.3 | -107.5 | -109.7 | 0 | 0 | 0 | 109.6 | ||||
| 513 | P | 41.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 162 Ų | 162 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -86.5 | 159.1 | -169.4 | 35.3 | -35 | 0 | 0 | 0 | 113.6 | ||||
| 514 | A | 34.7 | Very low | 34.3 | Very low | 92 Ų | 92 | 162.1 Ų | 162.1 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -118.7 | 129.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 515 | I | 40.7 | Very low | 34.7 | Very low | 154 Ų | 154 | 167.8 Ų | 167.8 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -88.9 | 148.1 | 167.3 | -66.3 | 158.8 | 0 | 0 | 0 | 107.9 | ||||
| 516 | N | 37.5 | Very low | 34.9 | Very low | 160 Ų | 160 | 166.4 Ų | 166.4 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | -150 | 151.2 | 154.7 | -98.6 | -39.2 | 0 | 0 | 0 | 112.2 | ||||
| 517 | H | 40.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 169.2 Ų | 169.2 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | trans | -133.9 | 167.7 | 175.7 | -110.7 | -84.2 | 0 | 0 | 0 | 108.2 | ||||
| 518 | Y | 36.9 | Very low | 35.7 | Very low | 217 Ų | 217 | 170.1 Ų | 170.1 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | 70.5 | 147.6 | -173.8 | -53.2 | -83 | 0 | 0 | 0 | 113.8 | ||||
| 519 | L | 38.1 | Very low | 35.9 | Very low | 238 Ų | 238 | 169.6 Ų | 169.6 | 100% | 1.246 | 84% | 0.839 | S | S | * | * | cis | -98.8 | 0 | 2 | -79.2 | 157.2 | 0 | 0 | 0 | 113 |
Retrieved 519 of 519 residues in 396.2 ms
(Link to these results)